0 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 CCCCN1CCNCC1 CSC011194250 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CCCCN1CCOCC1 CSC000224583 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 CCCCN1CCSCC1 CSC015913980 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.17 CCCNC1CCOCC1 CSC000714517 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 COCCN1CCNCC1 CSC000235850 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 COCCN1CCOCC1 CSC000234383 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CSCCN1CCCCC1 CSC000209123 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 NCCCN1CCNCC1 CSC011455964 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 NCCCN1CCOCC1 CSC000210481 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 OCCNC1CCSCC1 CSC000200544 [0,0,0,0,0,0|2,1,0]=3 12 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.17 OCCSC1CCOCC1 CSC011786569 [0,0,0,0,0,0|1,1,0]=2 14 B9R1.8 NCCN1CCSCC1 CSC000755026 [1,0,0,0,0,0|1,1,0]=3 15 B11R1.1 CC1CCN(CC1)CCCF CSC015316295 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.1 CC1CCN(CC1)CCCN CSC000205138 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.1 CC1CCN(CC1)CCCO CSC000213400 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.1 CCCCN1CCC(CC1)C CSC000021023 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.1 CCCCN1CCC(CC1)N CSC000746687 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.1 CN1CCN(CC1)CCCF CSC012895121 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.1 FCCCN1CCS(=O)CC1 CSC015258420 [0,1,0,0,0,0|2,1,0]=4 22 B11R1.1 NC1CCN(CC1)CCCF CSC012860623 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.1 OC1CCN(CC1)CCCF CSC012862524 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.16 CCCC(=O)N1CCOCC1 CSC000158644 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.16 CCCC(C)N1CCOCC1 CSC012592584 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.16 CCCC(C)N1CCSCC1 CSC015684577 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.16 CCNC(=O)N1CCOCC1 CSC000163406 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.16 COCC(=O)N1CCOCC1 CSC000158680 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.16 NCCC(=O)N1CCNCC1 CSC000746679 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 NCCC(=O)N1CCSCC1 CSC011239631 [0,1,0,0,0,0|2,1,0]=4 31 B11R1.17 CC1CCCCN1CCCF CSC016198936 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.17 CC1CCCCN1CCCN CSC000212276 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.17 CC1CCCCN1CCCO CSC000213889 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.17 CC1CNCCN1CCCN CSC015967503 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.17 CCCCN1CCOC[C@@H]1C CSC046332471 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.17 CCCCN1CCOC[C@H]1C CSC015850260 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.24 CC1CC(CCO1)NCCF CSC014397367 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.24 CC1CCCN(C1)CCCF CSC016052343 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.24 CC1CN(CCN1)CCCN CSC015620312 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.24 CC1CN(CCO1)CCC#N CSC000241726 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.24 CCCCN1CCOC(C1)C CSC015426280 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.24 CCCCN1CCO[C@H](C1)C CSC015827533 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.24 OCCCN1CCCC(C1)O CSC000213728 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.24 OCCCN1CCC[C@@H](C1)O CSC014194709 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.28 CCCCCN1CCNCC1 CSC011207891 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.28 CNCCCN1CCOCC1 CSC000224819 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.28 COCCCN1CCNCC1 CSC011216515 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.28 CSCCCN1CCOCC1 CSC011665022 [0,1,0,0,0,0|1,1,0]=3 50 B11R1.28 N#CCCCN1CCCCC1 CSC000223656 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.28 OCCCCN1CCOCC1 CSC000723369 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.40 CC(CO)CN1CCCCC1 CSC011934647 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.40 CC(CO)CN1CCOCC1 CSC011934869 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.40 CC(CO)SC1CCCCC1 CSC012469246 [0,1,0,0,0,0|2,1,0]=4 56 B11R1.40 CC(CO)SC1CCOCC1 CSC013273735 [0,1,0,0,0,0|1,1,0]=3 57 B11R1.40 CCC(C)CN1CCNCC1 CSC011401311 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.40 CCC(C)CN1CCOCC1 CSC012721623 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.40 CCC(C)CN1CCSCC1 CSC046840663 [0,1,0,0,0,0|2,1,0]=4 60 B11R1.40 CCC(O)CN1CCOCC1 CSC011366110 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.91 CC(C)CCN1CCNCC1 CSC000246714 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.91 CC(C)CCN1CCOCC1 CSC000224585 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.91 CC(C)CCN1CCSCC1 CSC015238583 [0,1,0,0,0,0|2,1,0]=4 64 B11R1.91 CC(O)CSC1CCCCC1 CSC011366878 [0,1,0,0,0,0|2,1,0]=4 65 B11R1.91 FC(F)CNC1CCOCC1 CSC000686440 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.18 CCCCN(C)CCCC CSC000020957 [0,0,1,0,0,0|3,0,0]=4 67 B9R0.18 CCCCN(C)CCCN CSC011191814 [0,0,1,0,0,0|3,0,0]=4 68 B9R0.40 CCCC(CC)NCCO CSC011608062 [0,0,1,0,0,0|3,0,0]=4 69 B9R0.40 CCCCN(CC)CCN CSC011208488 [0,0,1,0,0,0|3,0,0]=4 70 B9R0.45 CCCCCCSCCO CSC011304839 [0,0,1,0,0,0|2,1,0]=4 71 B9R0.45 CCCCSCCOCC CSC000053094 [0,0,1,0,0,0|3,0,0]=4 72 B11R2.238 C(C1CC1)N2CCNCC2 CSC000189101 [0,0,0,1,0,0|3,0,0]=4 73 B11R2.238 C1CC1NC2CCOCC2 CSC000714515 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.12 OCCNC1CCSC1 CSC000200495 [0,0,0,0,1,0|2,1,0]=4 75 B11R1.203 CCCCN1CCCNCC1 CSC011194251 [0,0,0,0,0,1|3,0,0]=4 76 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [0,0,0,0,0,1|3,0,0]=4 77 B11R1.203 FCCNC1CCCOCC1 CSC014493400 [0,0,0,0,0,1|3,0,0]=4 78 B11R1.203 N#CCCN1CCCOCC1 CSC011599129 [0,0,0,0,0,1|2,0,1]=4 79 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [0,0,0,0,0,1|3,0,0]=4 80 B11R1.203 NCCCN1CCCNCC1 CSC011455967 [0,0,0,0,0,1|3,0,0]=4 81 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,0,0,0,0,1|2,0,0]=3 82 B11R1.203 OCCCN1CCCOCC1 CSC011599119 [0,0,0,0,0,1|1,0,0]=2 83 B8R0.4 CCCCCSCCO CSC011215970 [1,0,1,0,0,0|1,1,0]=4 84 B8R0.4 CCSCCOCCO CSC011409966 [1,0,1,0,0,0|0,1,0]=3 85 B10R0.90 CCCCN(CCO)CCO CSC000225912 [0,1,1,0,0,0|2,0,0]=4 86 B10R0.71 CCCCSCCOCCO CSC011409991 [0,1,1,0,0,0|2,0,0]=4 87 B10R1.1 CCCN1CCC(CC1)C CSC046230074 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.4 CC1CCCCN1CCO CSC011305533 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.4 CC1CNCCN1CCN CSC015623185 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.4 CCCN1CCCCC1C CSC046166745 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.4 CCCN1CCSCC1C CSC049076201 [1,1,0,0,0,0|1,1,0]=4 92 B10R1.4 C[C@@H]1CNCCN1CCN CSC046200627 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.4 C[C@H]1CNCCN1CCN CSC046168186 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.10 CC1CN(CCN1)CCN CSC016152131 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.10 CC1CN(CCO1)CCN CSC000748911 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.10 CCCN1CCCC(C1)N CSC011435248 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.10 CCCN1CCSC(C1)C CSC047903786 [1,1,0,0,0,0|1,1,0]=4 99 B10R1.10 C[C@@H]1CN(CCN1)CCN CSC033394115 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.10 C[C@H]1CN(CCN1)CCN CSC032213674 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.10 NCCN1CCCC(C1)N CSC046225246 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.10 NCCN1CCCC(C1)O CSC011318664 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.10 NCCN1CCC[C@H](C1)N CSC046095498 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.10 NCCN1CCC[C@H](C1)O CSC010278773 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.15 CCC(=O)N1CCOCC1 CSC000158654 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.15 CCC(C)N1CCCCC1 CSC011997704 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.15 CCC(C)N1CCNCC1 CSC011216463 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.15 CCC(C)N1CCSCC1 CSC015376002 [1,1,0,0,0,0|1,1,0]=4 110 B10R1.15 CNC(=O)N1CCOCC1 CSC000235105 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.15 OCC(=O)N1CCCCC1 CSC011315646 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.18 CC(=O)CN1CCOCC1 CSC000180433 [1,1,0,0,0,0|0,0,2]=4 113 B10R1.18 CC(C)CN1CCCCC1 CSC000240348 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.18 CC(C)CN1CCOCC1 CSC000230502 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.18 CC(C)CN1CCSCC1 CSC046212026 [1,1,0,0,0,0|1,1,0]=4 116 B10R1.18 CC(C)NC1CCOCC1 CSC000759324 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.18 CC(O)CN1CCOCC1 CSC000696257 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.11 CN(CCO)C1CCOC1 CSC011879246 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.16 OC1CCN(C1)CCCF CSC012862546 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.16 O[C@@H]1CCN(C1)CCCF CSC012862561 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.16 O[C@H]1CCN(C1)CCCF CSC012862562 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.27 CCC(C)CN1CCCC1 CSC012721617 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.29 CC1OCCC1NCCO CSC000724954 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.66 CC(C)CCN1CCCC1 CSC000224194 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.321 CCCCN1CCCOC(C1)C CSC016025826 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.348 OCCCN1CCCC(CC1)O CSC015851039 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.1343 CC(C)CCN1CCCOCC1 CSC015771720 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [0,1,0,0,0,1|2,0,0]=4 133 B12R1.1564 CCCC(C)N1CCCOCC1 CSC015401544 [0,1,0,0,0,1|2,0,0]=4 134 B12R1.1748 CC(CO)NC1CCCOCC1 CSC012210923 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.1748 CCC(C)CN1CCCOCC1 CSC046503448 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.1748 C[C@H](CO)NC1CCCOCC1 CSC013174663 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.17 CC1CN(CCO1)C(=O)CCN CSC011195685 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.17 CCCC(C)N1CCOC(C1)C CSC015260167 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.17 CCCC(C)N1CCO[C@H](C1)C CSC015700141 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.30 CCCCC(=O)N1CCOCC1 CSC000174280 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.30 CCCNC(=O)N1CCOCC1 CSC000163405 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.30 CNCCC(=O)N1CCOCC1 CSC011384502 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.30 FCCNC(=O)N1CCOCC1 CSC014493355 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.34 CC[C@H](N)C(=O)N1CCOCC1 CSC012363297 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.39 CCCS(=O)(=O)N1CCOCC1 CSC000169604 [0,2,0,0,0,0|1,1,0]=4 146 B12R1.107 CC(C)CC(C)N1CCOCC1 CSC013726049 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.25 CCCCN1CCOC(C1C)C CSC015415016 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.125 CC(C)CCN1CCOC[C@@H]1C CSC048361698 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.125 CC(C)CCN1CCOC[C@H]1C CSC015340159 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.371 CCC(C)CN1CCOC[C@@H]1C CSC048465992 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.371 CCC(C)CN1CCOC[C@H]1C CSC016133930 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.374 CCCCN1CC(OCC1C)C CSC015525743 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.384 CCCCN1CCOCC1(C)C CSC015439089 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.1631 CCCCN1C(COCC1C)C CSC016126975 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.50 CCC(C)CN1CCOC(C1)C CSC046704583 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.50 CCC(C)CN1CCO[C@H](C1)C CSC015897594 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.100 CC1CC(CN(C1)CCCO)C CSC000212994 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.100 CCCCN1C[C@H](O[C@H](C1)C)C [0,2,0,0,0,0|2,0,0]=4 159 B12R1.100 C[C@H]1CN(C[C@H](O1)C)CCCN [0,2,0,0,0,0|2,0,0]=4 160 B12R1.226 CC(C)CCN1CCOC(C1)C CSC015732138 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.226 CC(C)CCN1CCO[C@H](C1)C CSC015778974 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.887 CCCCN1CCOC(C1)(C)C CSC015756450 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.8 CCCCCCN1CCOCC1 CSC000224586 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.8 COCC#CCN1CCOCC1 CSC021942932 [0,2,0,0,0,0|1,0,1]=4 165 B12R1.8 N#CCCCCN1CCOCC1 CSC000224604 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.8 NCCOCCN1CCCCC1 CSC011651313 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.8 NCCOCCN1CCOCC1 CSC011651319 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.8 OCCOCCN1CCCCC1 CSC011409831 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.8 OCCOCCN1CCOCC1 CSC011409812 [0,2,0,0,0,0|0,0,0]=2 170 B12R1.27 COC(=O)CCN1CCOCC1 CSC000177612 [0,2,0,0,0,0|1,0,1]=4 171 B12R1.32 COCC(O)CN1CCCCC1 CSC011945376 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.32 COCC(O)CN1CCOCC1 CSC000732631 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.891 CC(C)(C)CCN1CCOCC1 CSC000224588 [0,2,0,0,0,0|2,0,0]=4 174 B10R1.85 NCCN1CCCOCC1 CSC000709817 [0,0,1,1,0,0|2,0,0]=4 175 B10R1.85 OCCN1CCCOCC1 CSC011783524 [0,0,1,1,0,0|1,0,0]=3 176 B10R1.96 CCCN1CCC(C1)CO CSC011652537 [0,0,1,1,0,0|2,0,0]=4 177 B10R1.172 CCN1CCCC(C1)CO CSC000227639 [0,0,1,1,0,0|2,0,0]=4 178 B12R2.2 C1CC(CO1)N2CCOCC2 CSC012732911 [0,1,0,1,0,0|1,0,0]=3 179 B12R2.2 C1CCC(C1)N2CCOCC2 CSC011821377 [0,1,0,1,0,0|2,0,0]=4 180 B12R2.2075 O=C(C1CC1)N2CCOCC2 CSC000158655 [0,1,0,1,0,0|2,0,0]=4