0 B9R0.2 COCCCCCC(=O)O 4021515 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.7 C\C=C\CCCC(=O)O 4074621 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.18 CC(=O)CN1CCCCC1 4028176 [0,0,0,1,0,0|2,0,0]=3 3 B10R1.18 CC(=O)CN1CCOCC1 4027871 [0,0,0,1,0,0|3,0,0]=4 4 B10R1.18 N=C(N)NC1CCCCC1 4002516 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.18 NC(=O)CC1CCCCN1 4014901 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.18 O=C(O)CC1CCCCN1 4088025 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.18 O=C(O)CC1CCCCN1 4142131 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.18 O=C(O)CC1CCCOC1 4004917 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.18 O=C(O)CC1CCNCC1 4091105 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.18 O=C(O)CC1CCNCC1 4142132 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.18 O=C(O)CN1CCCCC1 4088006 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.18 O=C(O)CN1CCCCC1 4401702 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.39 CCN1CCC[C@H]1C(=O)O 4044757 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.61 CN1CCCCC1C(=O)O 4400178 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.64 CN1CCCC1CC(=O)O 4004857 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.66 O=C(O)CCC1CCCO1 4027244 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.66 O=C(O)CCN1CCCC1 4017740 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.144 CCCCC1CC1C(=O)O 6156098 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.348 CC(=O)N1CCCNCC1 4028076 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.348 CC(=O)N1CCCNCC1 4089127 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.348 NC(=O)C1CCCCNC1 4044747 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.348 NC(=S)N1CCCCCC1 4009987 [0,0,0,1,0,0|2,1,0]=4 23 B7R0.4 CC(=O)NCCCO 4032317 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.4 CCCCCC(=N)N 4012907 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 CCCCCC(=N)N 4088605 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.4 CCCOCC(=O)O 4020861 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.4 CCCSCC(=O)O 4028731 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CCSCCC(=O)O 4028457 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.4 CCCCC(N)CC(=O)O 4012458 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.8 CCNC1CCOCC1 4087925 [1,0,0,1,0,0|1,0,1]=4 31 B9R1.8 CCOC1CCNCC1 4031332 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.8 CCOC1CCNCC1 4088135 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.8 CNCC1CCCCC1 4028444 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.8 CNCC1CCOCC1 4002168 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.8 NCCC1CC=CCC1 4004572 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.12 CCOCC1CCCN1 4030295 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.12 NCCCC1CCOC1 4018243 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.12 O=CCCC1CCCC1 4012707 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.15 CCC1NCCNC1=O 4004453 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.15 CCC1SCCNC1=O 4045692 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.15 CCN1CCCNC1=O 4040526 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.33 NCCN1CCOC1=O 4012055 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.89 CCC1CCCNCC1 4042576 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.89 CNC1CCCCCC1 4027537 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.89 O=CN1CCCNCC1 3002895 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.2 CCC1COCC(=O)N1 4027565 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.2 CCN1CCNC(=O)C1 4044495 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.6 CC(=O)C1CCCNC1 4005879 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.6 CC(=O)C1CCCNC1 4087824 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.6 CC(N)C1CCCCC1 4019758 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.6 CC(N)C1CCCCC1 4087887 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.6 O=C(O)C1CCCCO1 4014945 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.6 O=C(O)C1CCOCC1 4004296 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.7 CNCC1CCC(=O)N1 4111539 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.13 O=C(O)CC1CCCN1 4004817 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.13 O=C(O)CC1CCOC1 4004832 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.13 O=C(O)CN1CCCC1 4088005 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.13 O=C(O)CN1CCCC1 4401694 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.41 CN1CCC[C@H]1C(=O)O 4030671 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.48 CC1CCCCC(=O)N1 4085312 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.84 O=C(O)CCC1CCC1 4030352 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.85 O=C(O)CSCC1CC1 4028705 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.148 CC1(N)CCCCCC1 4025641 [1,0,0,1,0,0|1,0,1]=4 65 B11R1.157 CC(=O)CN1CCCC(C)C1 4026786 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.172 O=C(O)CCCN1CCCC1 4018163 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.172 O=C(O)COCC1CCCN1 4040700 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.172 O=C(O)COCC1CCCN1 4090188 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.172 O=C(O)COCC1CCCO1 4011117 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.24 NCCCN1CCNC(=O)C1 4029866 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.53 CCN1CCCCC1C(=O)O 4002075 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.86 CC(=O)CN1CCCCC1C 4028609 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.86 CC1CCCCN1CC(=O)O 4017722 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.91 CC(=O)NCC1CCCNC1 4011177 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.91 CC(=O)NCC1CCNCC1 4011179 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.91 CC(=O)NCC1CCNCC1 4091059 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.91 CC(C)OCC1CCNCC1 4043462 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.91 NC(=O)CCC1CCCNC1 4017498 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.91 NC(=O)CCC1CCNCC1 4017497 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.91 O=C(O)CCC1CCCCN1 4028109 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.91 O=C(O)CCC1CCCNC1 4026834 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.91 O=C(O)CCC1CCNCC1 4031110 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.91 O=C(O)COC1CCNCC1 4041091 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.91 O=C(O)COC1CCNCC1 4090600 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.143 CN1CCCCCC1C(=O)O 4090593 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.143 CN1CCCCCC1C(=O)O 4400179 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.742 CC(=O)CN1CCCCCC1 4027910 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.742 CC(=O)CN1CCCCCC1 4090136 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.742 O=C(O)CN1CCCCCC1 4013117 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.266 CC(=O)N1CCCC(CN)C1 4011882 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.25 O=C(CBr)NCC1CCCO1 4023678 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.40 CNC(=O)CC1CCNCC1 4032563 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.40 NNC(=O)CC1CCCCC1 3015016 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.40 O=C(CBr)NC1CCCCC1 4023679 [0,1,0,1,0,0|1,0,0]=3 95 B11R1.40 O=C(CCl)NC1CCCCC1 3015663 [0,1,0,1,0,0|1,0,0]=3 96 B11R1.36 CC(C(=O)O)C1CCCCC1 4040626 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.497 CC(=O)N1CCNCC(O)C1 4085337 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.737 NC(=O)C1(N)CCCCCC1 4043046 [0,1,0,1,0,0|2,0,0]=4 99 B11R2.1 O=C1OCC2CNCCN12 4042553 [0,0,0,2,0,0|2,0,0]=4 100 B11R2.359 O=C1C[C@H]2CC[C@@H](CN1)N2 4032025 [0,0,0,2,0,0|2,0,0]=4 101 B11R2.433 O=C1CN2CCC(CC2)N1 4027015 [0,0,0,2,0,0|2,0,0]=4 102 B11R2.703 O=C1CC2(CCCCC2)C1 4040200 [0,0,0,2,0,0|1,0,0]=3 103 B11R2.845 CC(=O)C1CC2CCC1C2 3018453 [0,0,0,2,0,0|1,0,0]=3 104 B11R2.141 O=C(O)C1CC12CCCC2 4002211 [0,0,0,2,0,0|2,0,0]=4