0 B4R0.1 CC(=O)CF 26-862 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 CC(=O)NO BIO-467 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CC(C)=CBr 08-1738 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 CC(C)C=O CS-446 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CCB(O)O 08-278 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CCC(=O)O 10-0300 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 COC(C)=O 20-0200 [0,0,0,0,0,0|0,1,0]=1 7 B4R0.1 CS[S+](C)C 26-732 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 C[C@H](N)CO 026144 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C[C@H](N)CO 04-156 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 F\C=C(\F)Cl 26-2755 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.1 NC(=O)CBr CS-113 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 NC(=O)NO BIO-216 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 NC(=S)CF 08-7361 [0,0,0,0,0,0|3,1,0]=4 14 B4R0.1 NCC(=O)O BIO-131 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 NCC(N)=O 06-036 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 NNC(N)=O BIO-692 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 O=C(O)CI CS-620 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 O=C(O)CO 026169 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 ON=C(Br)Br 08-1052 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.1 CCNN 08-6014 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.2 CB(O)O 08-378 [1,0,0,0,0,0|1,1,1]=4 22 B3R0.2 C[N+](=O)[O-] BIO-352 [1,0,0,0,0,0|1,1,0]=3 23 B3R0.2 C[O+](C)C 26-2013 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.2 N=C(N)N BIO-192 [1,0,0,0,0,0|3,0,0]=4 25 B3R0.2 NC(N)=O BIO-421 [1,0,0,0,0,0|2,0,0]=3 26 B3R0.2 NC(N)=S BIO-983 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C=C(C)OCC 08-3147 [0,1,0,0,0,0|1,1,0]=3 28 B5R0.1 CCCC(=O)O 10-0400 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.1 CNCC(=O)O 04-2418 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.1 CNCC(=O)O BIO-957 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.1 CNCC(N)=O 04-2420 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.1 C\C=C\C(=O)O 020716 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.1 NCCC(=O)O 025502 [0,1,0,0,0,0|2,0,0]=3 34 B5R0.1 O=C(O)CCCl CS-222 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.3 C=C(CO)CO 08-5506 [0,1,0,0,0,0|3,0,0]=4 36 B5R0.3 CCC(=O)OC 20-0300 [0,1,0,0,0,0|0,1,0]=2 37 B5R0.3 CC[C@H](C)CO 025049S [0,1,0,0,0,0|1,0,2]=4 38 B5R0.3 CC[C@H](C)NN 08-9272 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.3 COC(=O)CN 04-1589 [0,1,0,0,0,0|0,1,0]=2 40 B5R0.3 CSC(=N)NN 08-4024 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.3 O=C(CCl)CCl 08-2018 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.5 C=C(F)C(=O)O 26-4713 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.5 CC(=O)C(=O)O 020761 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.5 CC(=O)C(F)F 27-108 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.5 CC(=O)[C@H](C)F 26-3573 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.5 CC(C)C(N)=O 08-2289 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.5 CC(C)C(N)=S 08-2423 [0,1,0,0,0,0|2,1,0]=4 48 B5R0.5 CN(N)C(N)=O 08-5500 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.5 C[C@H](Cl)C(=O)Cl CS-223 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.5 C[C@H](N)C(=O)O 04-113 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.5 C[C@H](N)C(=O)O BIO-434 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.5 C[C@H](N)C(=O)O BIO-440 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.5 C[C@H](N)C(N)=O 04-120 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.5 C[C@H](N)C(N)=O 04-121 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.5 C[C@H](O)C(=O)O BIO-636 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.5 NC(=O)C(F)F 27-107 [0,1,0,0,0,0|3,0,0]=4 57 B5R0.5 NC(=O)[C@@H](F)Br 27-042 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.5 NC(=O)[C@@H](F)Cl 27-076 [0,1,0,0,0,0|3,0,0]=4 59 B5R0.5 NC(=O)[C@@H](F)I 27-174 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.5 O=C(O)C(=O)O 15-0200 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.5 O=C(O)[C@@H](F)Cl 27-077 [0,1,0,0,0,0|3,0,0]=4 62 B5R1.2 O=C1CNC1 08-4650 [0,0,0,1,0,0|2,0,0]=3 63 B5R1.2 O=C1COC1 08-2476 [0,0,0,1,0,0|2,0,0]=3 64 B5R1.2 O=C1CSC1 08-4092 [0,0,0,1,0,0|2,0,0]=3 65 B5R1.3 CNC1CC1 08-10334 [0,0,0,1,0,0|2,0,1]=4 66 B5R1.3 CNC1CC1 08-5491 [0,0,0,1,0,0|2,0,1]=4 67 B2R0.1 CCC BIO-417 [2,0,0,0,0,0|0,0,1]=3 68 B2R0.1 O=CO 020470 [2,0,0,0,0,0|0,1,0]=3 69 B4R0.2 CCCCO 40-0400 [1,1,0,0,0,0|1,0,1]=4 70 B4R0.3 CS(=O)(=O)F 26-4116 [1,1,0,0,0,0|1,1,0]=4 71 B4R0.3 CS(N)(=O)=O 19-1174 [1,1,0,0,0,0|1,1,0]=4 72 B4R0.3 C[As](C)(=O)O BIO-094 [1,1,0,0,0,0|1,0,0]=3 73 B4R0.3 C[N+](C)(C)C 09-2286 [1,1,0,0,0,0|2,0,0]=4 74 B4R0.3 C[Sn](C)(Cl)Cl 06-1388 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.1 CCCC(=O)OC 20-0400 [0,2,0,0,0,0|0,1,0]=3 76 B6R0.1 CCNC(=O)CO 08-10467 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.1 CCOC(=O)CF 26-792 [0,2,0,0,0,0|0,1,0]=3 78 B6R0.1 CCOC(=O)CN 04-1586 [0,2,0,0,0,0|0,1,0]=3 79 B6R0.1 CNCC(=O)OC 04-2425 [0,2,0,0,0,0|0,1,0]=3 80 B6R0.1 COC(=O)\C=C/Br 08-1758 [0,2,0,0,0,0|0,1,1]=4 81 B6R0.1 COC(=O)\C=C/I 08-3227 [0,2,0,0,0,0|0,1,1]=4 82 B6R0.2 CC(C)CC(=O)O 022864S [0,2,0,0,0,0|2,0,0]=4 83 B6R0.2 C[C@H](O)CC(=O)O 021350 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.3 CC(C)C(=O)NN 08-5319 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,2,0,0,0,0|1,0,1]=4 86 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.3 CNC(=O)[C@@H](F)Cl 27-190 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.3 CNC(=O)[C@@H](F)I 27-192 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.3 COC(=O)C(F)F 09-1640 [0,2,0,0,0,0|0,1,0]=3 92 B6R0.3 COC(=O)[C@H](C)N 024047 [0,2,0,0,0,0|0,1,0]=3 93 B6R0.3 COC(=O)[C@H](C)N 04-140 [0,2,0,0,0,0|0,1,0]=3 94 B6R0.3 C\C=C(/C)C(=O)O 020772 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.3 C\C=C(\C)C(=O)O 06-231 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,2,0,0,0,0|2,0,0]=4 97 B6R0.3 NC[C@H](F)C(=O)O 09-619 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.3 NC[C@H](N)C(=O)O 04-1099 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.3 NC[C@H](N)C(=O)O 04-1100 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.4 CCCCC(=O)O 025124 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.4 CCCCC(=O)O 71-0509 [0,2,0,0,0,0|2,0,0]=4 108 B6R0.4 NCCCC(=O)O 020706 [0,2,0,0,0,0|2,0,0]=4 109 B6R0.4 NCCCC(=O)O 06-1637 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.7 CC(C)(F)C(=O)O 26-4711 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.7 CC(C)(N)C(=O)O 04-276 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.7 CC(C)(O)C(=O)O 04-1798 [0,2,0,0,0,0|2,0,0]=4 113 B6R1.2 O=C1C=CCO1 08-3977 [0,1,0,1,0,0|0,1,1]=4 114 B6R1.2 O=C1C=CSN1 08-6056 [0,1,0,1,0,0|0,0,2]=4 115 B6R1.2 O=C1CCNC1 08-5561 [0,1,0,1,0,0|1,0,0]=3 116 B6R1.2 O=C1CCOC1 08-5730 [0,1,0,1,0,0|0,1,0]=3 117 B6R1.5 NC1CC(=O)C1 08-4619 [0,1,0,1,0,0|1,0,0]=3 118 B6R1.5 O=C1CC(Br)C1 08-6789 [0,1,0,1,0,0|1,0,0]=3 119 B6R1.10 O=S1(=O)CCC1 08-5712 [0,1,0,1,0,0|2,0,0]=4 120 B6R1.4 C[C@H]1COC1=O 08-7564 [0,1,0,1,0,0|0,1,0]=3 121 B6R1.6 CSC1CNC1 08-5390 [0,1,0,1,0,0|1,0,1]=4