0 B7R0.18 CCC(C)(CO)CO CS-0207422 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.18 CCC(N)(C#N)CC CS-0295920 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.18 CCC(N)(C#N)CC CS-0449756 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.18 CCC(N)(CC)CN CS-0260954 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.18 CCC(O)(CC)CC CS-0204667 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.18 CCC(O)(CC)CN CS-0252289 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.18 NC(CO)(CO)CO CS-0223093 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.18 NC(CO)(CO)CO CS-0505162 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.18 NC(CO)(CO)CO CS-0670373 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.18 NC(CO)(CO)CO CS-0887440 [0,0,0,0,0,0|0,0,0]=0 10 B6R0.8 C=CC(C)(C)CO CS-0242016 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.8 CC(Br)(CBr)CBr CS-0260767 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.8 CC(C)(CI)CI CS-0260030 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.8 CC(O)(CO)CO CS-0503727 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.8 CCC(C)(C)CBr CS-0223721 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.8 CCC(C)(C)CO CS-0075738 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.8 CCC(C)(N)C#N CS-0666357 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.8 CCC(C)(N)CC CS-0260809 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.8 CCC(C)(N)CN CS-0252348 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.8 CCC(C)(N)CO CS-0091232 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.8 NCC(F)(F)CO CS-D0487 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.9 CCC(CC)CN CS-0211034 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.9 CCC(CN)CO CS-0217124 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.9 CCC(CO)OC CS-0447197 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.9 CO[C@H](CN)CO CS-0309906 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.9 OCC(CO)=NO CS-0320200 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.10 COC(CO)(CO)OC CS-0074464 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.10 OCC(CCl)(CCl)CCl CS-0051417 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.31 CCCC(C)(CO)CO CS-W013405 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.36 CCC(N)(CC)C(=O)O CS-0678547 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.52 CC1(CN)CCOC1 CS-0053357 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.52 CC1(CO)CCOC1 CS-0055404 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.52 CCC1(N)CCCC1 CS-0714434 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.52 NC1(CO)CCCC1 CS-0146522 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.60 CCC1(CN)COC1 CS-0053369 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.60 ClCC1(CBr)COC1 CS-0051710 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.60 NCC1(CO)COC1 CS-0053001 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.60 NCC1(CO)COC1 CS-W006858 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.60 OCC1(CCl)COC1 CS-0323173 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.60 OCC1(CF)CNC1 CS-0879632 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.60 OCC1(CO)CNC1 CS-0052996 [0,0,0,1,0,0|2,0,0]=3 41 B5R0.3 C=C[C@H](O)CO CS-0170861 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.3 CC(C#N)CO CS-0222830 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.3 CC(CN)CO CS-0213279 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.3 CCC(C)CCl CS-0252571 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 CCC(C)CI CS-0152624 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.3 CCC(N)CO CS-W013747 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.3 CCC(O)CI CS-0244982 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 CCC(O)CO CS-0094102 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.3 CC[C@@H](O)CN CS-0096325 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 CC[C@H](C)CBr CS-0821293 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 CC[C@H](C)CN CS-0084160 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 C[C@H](CO)CBr CS-0142517 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.3 NCC(N)CN CS-0264968 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 NC[C@H](O)CO CS-0259926 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 O=C(CO)CO CS-W021282 [2,0,0,0,0,0|0,0,2]=4 56 B5R0.3 OCC(O)CI CS-0758162 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.3 O[C@@H](CCl)CI CS-0622968 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.3 O[C@H](CCl)CI CS-0622969 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.4 CC(C)(C)CCl CS-0272708 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC(C)(N)CN CS-0217342 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.4 CC(C)(O)CN CS-0171835 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.4 CC(C)(S)CO CS-0159069 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.4 CCC(C)(C)I CS-0238650 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.4 O=P(O)(O)CO CS-0757558 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.11 CC(C)(CO)CCO CS-0147021 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.11 CCCC(C)(C)CO CS-0308552 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.11 CCNC(C)(C)CO CS-0013020 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.11 COCC(C)(C)CN CS-0215038 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.11 COCC(C)(C)CN CS-0215084 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.11 COCC(C)(N)C#N CS-0231351 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.11 COCC(C)(N)CN CS-0261159 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.11 COCC(C)(N)CO CS-0221917 [1,1,0,0,0,0|0,0,0]=2 73 B7R0.13 CC(N)(CO)C(=O)O CS-W013589 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.13 CCC(C)(N)C(=O)O CS-0245856 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.13 CCC(C)(N)C(=O)O CS-0311817 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.13 CC[C@](C)(N)C(=O)O CS-0206584 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.12 CCC(CC)CCO CS-0230787 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.12 O=CNC(CO)CO CS-0258754 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.15 CCC(CO)C(C)C CS-0152602 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.15 CN(C)C(CO)CO CS-0151335 [1,1,0,0,0,0|2,0,0]=4 81 B7R1.14 CC1(N)CCOC1 CS-0051244 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.25 CC1(CCl)COC1 CS-0051705 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.25 CC1(CN)COC1 CS-0133586 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.25 CC1(CO)CNC1 CS-0053358 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.25 CCC1(N)CNC1 CS-0184328 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.25 CCC1(O)COC1 CS-0163084 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.25 NCC1(F)COC1 CS-0045511 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.25 OCC1(F)CCC1 CS-0183328 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.25 OCC1(F)CNC1 CS-0060757 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.1 NCC1CCOC1 CS-0048762 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.1 OCC1CCNC1 CS-0048724 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 OCC1CCNC1 CS-0155220 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.1 OC[C@H]1CCNC1 CS-0053246 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 OC[C@H]1CCOC1 CS-0053313 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.1 [C@@H]1(CO)CCNC1 CS-0044035 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.204 CCC1(CO)CCCN1 CS-0235230 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.204 NCC1(CO)CCCC1 CS-0450072 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.118 CCC1(N)CCOCC1 CS-0051897 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.118 NC1(CO)CCCCC1 CS-0090679 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.118 NC1(CO)CCNCC1 CS-0185387 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.118 NC1(CO)CCOCC1 CS-0053211 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.124 OCC1(CO)CC(O)C1 CS-0051636 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.134 COCC1(N)CCCC1 CS-0144192 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.134 COCC1(N)CCCC1 CS-0262171 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.134 NC1(CCO)CCCC1 CS-0239189 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.175 N#CCC1(CO)COC1 CS-0343059 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.163 NC1(C(=O)O)CCOC1 CS-0003965 [0,1,0,1,0,0|1,0,1]=4