0 B7R0.4 CN(C)CCCCCl CS-0059660 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CN(C)CCCON CS-0093659 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 CC(F)CCCN CS-0104689 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 CN(C)CCCCl CS-W004690 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,1,0,0,0,0|1,0,0]=2 5 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.28 CN(C)C\C=C\C(N)=O CS-0067381 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.4 CC1CC(=O)CCN1 CS-0080309 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.4 CC1CC(O)CCO1 CS-0051835 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.4 CC1CCOC(=O)O1 CS-0062234 [0,0,0,1,0,0|1,0,0]=2 11 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.4 C[C@@H]1CNCC(=O)N1 CS-0054006 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053434 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 C[C@H]1CNCC(=O)N1 CS-0053122 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.4 NC1CCNC(=O)C1 CS-0062156 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.4 NC1COCC(=O)C1 CS-0050677 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 O=C1CCCC(O)C1 CS-0051335 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 O=C1CCNC(=O)C1 CS-W008824 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.6 CCOC1CC(N)C1 CS-0102254 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.7 CC(C)[C@@H]1CCCN1 CS-0053448 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.7 CC(C)[C@H]1CCCN1 CS-0053500 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.19 CC1(C)CCN=C1S CS-0035637 [0,0,0,1,0,0|1,1,0]=3 27 B8R1.19 CC1(C)CONC1=O CS-0067875 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.19 CC1(C)OC=CC1=O CS-0092873 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.19 C[C@@]1(N)CONC1=O CS-0068240 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.19 C[C@]1(N)CONC1=O CS-0068884 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.19 O=C1NCCC1(F)F CS-0051628 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.22 CC1CCCCNC1 CS-0038439 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,0,0,1,0,0|2,0,1]=4 35 B5R0.1 CC(F)CCN CS-0106774 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 CC(O)CCN CS-0113030 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 CC(O)CCN CS-0113103 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 C[C@@H](O)CCN CS-0113026 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 C[C@@H](O)CCN CS-0113150 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 C[C@H](O)CCN CS-0113024 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 C[C@H](O)CCN CS-0113046 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.2 CCCCON CS-0106180 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.3 C=CCCC(N)CO CS-0091350 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.3 COCCC(N)CO CS-0106481 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.5 COCC(N)C(C)C CS-0038205 [1,1,0,0,0,0|0,0,1]=3 46 B7R0.6 C[C@@H](N)CCC(=O)O CS-0093985 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.8 COCCC(C)(C)N CS-0091447 [1,1,0,0,0,0|0,0,1]=3 48 B9R0.53 CC(=O)OC(C)CN(C)C CS-0089131 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,2,0,0,0,0|1,0,0]=3 50 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,2,0,0,0,0|1,0,0]=3 52 B7R1.2 CC1CCC(=O)N1 CS-0046659 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.2 CC1CCC(O)C1 CS-0107204 [1,0,0,1,0,0|0,0,2]=4 54 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.2 C[C@@H]1CNC(=O)C1 CS-0053172 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.2 NC1CCC(=O)N1 CS-0046591 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.2 NC1CNC(=O)C1 CS-0051034 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.2 N[C@@H]1CNC(=O)C1 CS-0053173 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.2 N[C@H]1CNC(=O)C1 CS-0046660 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.10 COC1CC(Br)C1 CS-0077320 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.10 COC1CC(N)C1 CS-0051290 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.10 CO[C@H]1C[C@@H](N)C1 CS-0049700 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.14 CC1(C)CCNC1 CS-0051614 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.14 CC1(N)CCOC1 CS-0051244 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.17 CC1(C)CCC1=O CS-0045495 [1,0,0,1,0,0|0,0,0]=2 68 B7R1.17 CC1(C)CNC1=O CS-0046668 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.18 CC(N)C1COC1 CS-0052814 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.18 CC(N)C1COC1 CS-0104576 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.18 CC(O)C1COC1 CS-0056972 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.4 CC1CONC1=O CS-0068235 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.4 C[C@@H]1CCNC1=O CS-0046449 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.4 C[C@H]1CCNC1=O CS-0046446 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.4 NC1CCOC1=O CS-0051531 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.8 O=C1CCC1CO CS-0045469 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.8 O=C1NCC1CO CS-0046606 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.13 CC(C)NC1CCOC1 CS-0046708 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.34 CC1CC(=O)NC(=O)C1 CS-0077338 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 CS-0049746 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 CS-0056668 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.41 CC(C)C1CCNC1=O CS-0046445 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.48 CC1CCCCC(=O)N1 CS-0061421 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.53 CC(=O)NC1CC(N)C1 CS-0048856 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.53 CC(=O)OC1CC(=O)C1 CS-0045537 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.53 NC1CC(CC(=O)O)C1 CS-0052288 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 CS-0049761 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.66 CC1(C)CCCC(=O)N1 CS-0062136 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.136 O=CCC1CC(F)(F)C1 CS-0052296 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.1 CN1CCC(C=O)CC1 CS-0099980 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.2 CCC1CC(=O)CCO1 CS-0061467 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.2 CCN1CCNC(=O)C1 CS-0050872 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 NCC1CCNC(=O)C1 CS-0036410 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.2 O=C1CCCC(CO)N1 CS-0099968 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.118 CC1(CN)CCOCC1 CS-0053196 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.40 CC1(C)COCCC1=O CS-0051615 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.35 CC(C)C1CCC(=O)N1 CS-0046650 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.35 CC(C)C1CNC(=O)C1 CS-0046667 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.35 CN1CC[C@@H](C(=O)O)C1 CS-0054674 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.35 CN1CC[C@H](C(=O)O)C1 CS-0053278 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 CS-0053405 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0089834 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.35 C[C@H](F)[C@H]1COC(=O)N1 CS-0069830 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.35 O=C1N[C@H](C(F)F)CO1 CS-0053175 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.69 CN1CCC(N)CC1=O CS-0051055 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.106 CC1(C)C(=O)NCC1N CS-0051048 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.106 CC1(C)C(=O)NC[C@@H]1N CS-0053186 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.106 CC1(C)C(=O)NC[C@H]1N CS-0054392 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.166 CC1(C)CN[C@@H]1C(=O)O CS-0052346 [0,1,0,1,0,0|2,0,0]=4 119 B9R2.39 O=C1CN2CCC1C2 CS-0106908 [0,0,0,2,0,0|2,0,0]=4 120 B9R2.39 O=C1CN2CCC1C2 CS-0106909 [0,0,0,2,0,0|2,0,0]=4 121 B9R2.21 O=C1CC2CC2CN1 CS-0058971 [0,0,0,2,0,0|1,0,0]=3