0 B5R0.2 CCCCCC 05-0600 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 CCCCCF 26-1004 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 CCCCCO 40-0500 [0,0,0,0,0,0|0,0,4]=4 3 B5R0.2 FCCCCBr 09-3175 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 FCCCCF 27-110 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 NCCCCN BIO-341 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 NCCCCN BIO-688 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 C=CCNN 08-9875 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 CCCCO 40-0400 [1,0,0,0,0,0|0,0,3]=4 9 B4R0.2 CCCNN 08-9468 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.2 ClCCCI 08-5068 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 FCCCF 26-3361 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 NCCCCl 19-913 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 OCCCF 26-3886 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 C=C(Cl)CN=C=S 08-3051 [0,1,0,0,0,0|1,1,1]=4 15 B6R0.4 C=CCNC(N)=S 06-911 [0,1,0,0,0,0|1,1,0]=3 16 B6R0.4 CCCCC(=O)O 025124 [0,1,0,0,0,0|0,0,2]=3 17 B6R0.4 CCCCC(=O)O 71-0509 [0,1,0,0,0,0|0,0,2]=3 18 B6R0.4 NCCCC(=O)O 020706 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.4 NCCCC(=O)O 06-1637 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.6 CCCCCC=O 023326S [0,1,0,0,0,0|0,0,2]=3 21 B6R1.1 C1=CCNCC1 08-5660 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.2 BrC1=NNC=C1 08-8168 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 BrC1=NOC=C1 08-1711 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 BrC1=NSC=C1 08-5883 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 ClC1=NSC=C1 08-3525 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 FC1=NNC=C1 08-10530 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 NC1=CC=NN1 08-10069 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 NC1=NOC=C1 08-5339 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 O=C1C=CCO1 08-3977 [0,0,0,1,0,0|1,0,0]=2 30 B6R1.2 O=C1C=CSN1 08-6056 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.2 O=C1CCNC1 08-5561 [0,0,0,1,0,0|1,0,1]=3 32 B6R1.2 O=C1CCOC1 08-5730 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.2 OC1=CC=NN1 08-6049 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.4 C[C@H]1COC1=O 08-7564 [0,0,0,1,0,0|1,0,2]=4 35 B3R0.1 CCNN 08-6014 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.1 FCCI 26-3656 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.1 NCCBr 20-101 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 NCCS BIO-755 [2,0,0,0,0,0|1,1,0]=4 39 B5R0.1 C=C(C)OCC 08-3147 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.1 CCCC(=O)O 10-0400 [1,1,0,0,0,0|0,0,1]=3 41 B5R0.1 CNCC(=O)O 04-2418 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.1 CNCC(=O)O BIO-957 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 CNCC(N)=O 04-2420 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.1 C\C=C\C(=O)O 020716 [1,1,0,0,0,0|0,0,2]=4 45 B5R0.1 NCCC(=O)O 025502 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 O=C(O)CCCl CS-222 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.3 O=CC(Br)C=O 08-951 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.3 O=C[C@@H](O)CO BIO-609 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.3 O=C[C@@H](O)CO BIO-610 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [0,2,0,0,0,0|0,0,2]=4 51 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [0,2,0,0,0,0|0,0,2]=4 52 B7R0.2 NC[C@@H](O)CC(=O)O 04-273 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.3 CCCCC(=O)OC 20-0500 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.3 COC(=O)CCCBr CS-741 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [0,2,0,0,0,0|0,0,2]=4 56 B7R0.5 CCC[C@H](N)C(=O)O 021880 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.5 CSC[C@H](N)C(=O)O 025849 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.5 C[C@H](NC=O)C(=O)O 04-1420 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.5 N#CC[C@H](N)C(=O)O 04-112 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.5 N[C@@H](CCS)C(=O)O BIO-615 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.4 CCCCCC(=O)O 10-0600 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.4 C\C=C\C=C\C(=O)O 020731 [0,2,0,0,0,0|0,0,2]=4 65 B7R0.4 NCCCCC(=O)O 12-902 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.6 C=C(Cl)CSC(C)=O 08-5077 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.6 CC(=O)NCC(=O)O 04-2739 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.6 O=C(Cl)CCC(=O)Cl 19-1216 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.6 O=C(O)CCC(=O)O 15-0400 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.8 C=CCC[B-](F)(F)F 08-2743 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.1 [N-]=[N+]=NCCCC=O 08-9611 [0,2,0,0,0,0|1,0,1]=4 72 B5R1.1 C1=CNC=N1 BIO-148 [1,0,0,1,0,0|2,0,0]=4 73 B5R1.1 C1=COC=N1 08-8050 [1,0,0,1,0,0|1,0,1]=4 74 B5R1.1 C1=CSC=N1 08-5688 [1,0,0,1,0,0|1,1,0]=4 75 B5R1.2 O=C1CNC1 08-4650 [1,0,0,1,0,0|1,0,1]=4 76 B5R1.2 O=C1COC1 08-2476 [1,0,0,1,0,0|1,0,1]=4 77 B5R1.2 O=C1CSC1 08-4092 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.1 BrCC1=CCCC1 08-6691 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.1 O=CC1=CN=CS1 08-3655 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.1 O=CC1=CNC=N1 08-10121 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 O=CC1=CSC=N1 08-1249 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.1 O=CC1=NC=CN1 08-1138 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.1 O=CC1=NC=CS1 08-3654 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.2 CN1CCC(=O)C1 08-3269 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.2 NC1=NC(=O)CS1 08-889 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.2 O=C1C=C(Br)CO1 08-1670 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.2 O=C1CCC(=O)N1 BIO-450 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.3 O=C1C=CC=NN1 08-5629 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.3 O=C1C=CN=CN1 08-5565 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.3 O=C1CCCNC1 08-7861 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.3 O=C1CCCOC1 08-7989 [0,1,0,1,0,0|0,0,2]=4 92 B7R1.3 O=C1CCCSC1 08-7956 [0,1,0,1,0,0|0,0,2]=4 93 B7R1.3 O=C1CCNCC1 06-1702 [0,1,0,1,0,0|0,0,2]=4 94 B7R1.3 O=C1CCSCC1 08-5722 [0,1,0,1,0,0|0,0,2]=4 95 B7R1.3 O=C1COCCN1 08-7686 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.4 N[C@H]1CONC1=O BIO-126 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.4 O=C1CCC=C1Br 08-1640 [0,1,0,1,0,0|0,0,0]=2 99 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,1,0,1,0,0|0,0,2]=4 102 B7R1.10 O=C1CC(CO)C1 08-5307 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.14 O=S1(=O)C=CCC1 08-5153 [0,1,0,1,0,0|1,0,0]=3 104 B7R1.18 NC(=O)C1CNC1 08-4566 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.18 O=C(O)C1CNC1 08-4541 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.18 O=C(O)[C@@H]1CCN1 024375 [0,1,0,1,0,0|1,0,1]=4 107 B7R1.18 O=C(O)[C@@H]1CCN1 024439 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.18 O=C(O)[C@@H]1CCN1 024974S [0,1,0,1,0,0|1,0,1]=4 109 B7R1.18 O=C(O)[C@@H]1CCN1 04-395 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.24 C1=CC=CCC=C1 26-4699 [0,1,0,1,0,0|1,0,1]=4