0 B6R0.1 CCC(C)N=C=S 7168-1-02 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.1 CCCC(C)CCl 1100-5-0A [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=CCC(C)O 2302-1-00 [1,0,0,0,0,0|1,1,0]=3 3 B5R0.1 CC(C)CCI 1100-H-X4 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 CC(C)CCN 3130-1-X4 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 CC(C)CCO 2101-1-53 [1,0,0,0,0,0|0,0,2]=3 6 B5R0.1 CC(C)CNN 3139-5-X0 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CC(C)N=C=S 7168-1-X2 [1,0,0,0,0,0|1,1,1]=4 8 B5R0.1 CC(N)CCO 4156-1-4D [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CCCC(C)C 1100-1-04 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CCCC(C)O 2102-1-52 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.1 CN(C)CC#N 3137-1-03 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CN(C)CCN 3132-1-X2 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C[C@@H](N)CCO 4156-1-RB [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [1,0,0,0,0,0|0,1,2]=4 15 B5R0.2 C#CCCCC 1500-1-X2 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 C=CCCCBr 1300-9-13 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.2 C=CCCCC 1300-1-48 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 CCCCC=O 2115-1-00 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.2 CCCCCC 1100-1-18 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CCCCCF 1100-3-65 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 CCCCCN 3130-1-X6 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 CNCCNC 3131-1-17 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.2 COCCCBr 2107-9-02 [1,0,0,0,0,0|1,1,1]=4 24 B5R0.2 COCCOC 2108-1-00 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.2 CSCCCN 8166-1-X3 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.3 CCC(C)C=O 2115-1-0C [1,0,0,0,0,0|1,0,0]=2 27 B5R0.3 CCC(C)CN 3130-1-X5 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 CCC(N)CC 3130-1-14 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.3 CCC(N)CO 4156-1-38 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 CCC(O)CN 4156-1-Z4 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CC[C@H](N)CO 4156-1-W2 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 C\C(C=O)=C/N 4356-1-X1 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 O=CC(Br)C=O 2115-9-02 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [0,1,0,0,0,0|1,1,1]=4 38 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [0,1,0,0,0,0|1,1,1]=4 39 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.3 CCC(C)CN=C=S 7168-1-12 [0,1,0,0,0,0|1,1,1]=4 41 B7R0.10 COC(=O)C(Cl)C=O 2123-5-16 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.12 CNCC(OC)OC 4131-1-X0 [0,1,0,0,0,0|2,1,0]=4 43 B7R0.12 COC(CSC)OC 6166-1-0M [0,1,0,0,0,0|2,1,0]=4 44 B7R1.1 CNC1CCCC1 3231-1-03 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 COC1CCCC1 2207-1-01 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.1 OCC1CC=CC1 2401-1-06 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,0,0,1,0,0|2,0,1]=4 49 B7R1.2 NC1=NC(=O)CS1 8H70-1-M4 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.2 NC1=NC(=O)CS1 8H70-5-W0 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,0,0,1,0,0|1,1,1]=4 53 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.3 CC1=CCC=CC1 1200-1-0A [0,0,0,1,0,0|2,0,1]=4 55 B7R1.3 CC1CCCCC1 1200-1-19 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.3 CC1CCCCN1 3H31-1-00 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 CC1CCNCC1 3H31-1-Q3 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.3 CC1CNCCO1 4H56-1-9N [0,0,0,1,0,0|2,1,0]=4 59 B7R1.3 CC1COCCN1 4H56-1-98 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [0,0,0,1,0,0|3,0,0]=4 61 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [0,0,0,1,0,0|3,0,0]=4 62 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 C[C@H]1CNCCN1 3H31-1-P8 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 [C@@H]1(C)CNCCN1 3H31-1-R1 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.10 C=C1CC(C#N)C1 3337-1-X9 [0,0,0,1,0,0|3,0,0]=4 66 B4R0.1 C=C(C)CC 1300-1-21 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 C=C(C)OC 2307-1-01 [2,0,0,0,0,0|0,1,1]=4 68 B4R0.1 C=CC(C)C 1300-1-26 [2,0,0,0,0,0|0,0,1]=3 69 B4R0.1 C=CC(C)Cl 1300-5-41 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 CC(=O)C=O 2117-1-X0 [2,0,0,0,0,0|0,1,1]=4 71 B4R0.1 CC(=O)C=O 2117-1-X0A [2,0,0,0,0,0|0,1,1]=4 72 B4R0.1 CC(C)C#N 3137-1-Y4 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.1 CC(C)C=O 2115-1-13 [2,0,0,0,0,0|0,0,0]=2 74 B4R0.1 CC(C)NN 3139-5-X2 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 CC(C)[Mg]Cl 9112-5-04 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 CC(F)CO 2101-3-64 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 CC(N)CO 4156-1-92 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 CC(O)CF 2102-3-12 [2,0,0,0,0,0|1,1,0]=4 79 B4R0.1 CC(O)CO 2104-1-12 [2,0,0,0,0,0|0,1,1]=4 80 B4R0.1 CCC(C)Cl 1100-5-25 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 CCC(C)F 1100-3-47 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 CCC(C)I 1100-H-X6 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 CC[C@@H](C)O 2101-1-R1 [2,0,0,0,0,0|0,1,1]=4 84 B4R0.1 CN(C)C=O 4148-1-03 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 C[C@@H](N)CO 4156-1-R3 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 C[C@@H](O)CN 4156-1-R2 [2,0,0,0,0,0|1,1,0]=4 87 B4R0.1 C[C@@H](O)CO 2104-1-R3 [2,0,0,0,0,0|0,1,1]=4 88 B4R0.1 C[C@H](O)CN 4156-1-S2 [2,0,0,0,0,0|1,1,0]=4 89 B4R0.1 C[C@H](O)CO 2104-1-S3 [2,0,0,0,0,0|0,1,1]=4 90 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [2,0,0,0,0,0|1,0,1]=4 91 B4R0.1 [C@@H](C)(N)CO 4156-1-Y5 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 C#CCCC 1500-1-X1 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.2 C=CCCBr 1300-9-04 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.2 C=CCCC 1300-1-09 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 CCCC#N 3137-1-Y3 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.2 CCCCBr 1100-9-15 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.2 CCCCF 1100-3-32 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.2 CNCCCl 3133-5-05 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.2 CNCCN 3131-1-11 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 CNCCO 4156-1-3Y [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 COCCBr 2107-9-X1 [2,0,0,0,0,0|1,1,0]=4 103 B4R0.2 COCCCl 2107-5-0R [2,0,0,0,0,0|1,1,0]=4 104 B4R0.2 COCCN 4130-1-X3 [2,0,0,0,0,0|1,1,0]=4 105 B4R0.2 CSCCN 7166-1-X1 [2,0,0,0,0,0|1,0,0]=3 106 B4R0.2 C\C=C\CC 1300-1-05 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [1,1,0,0,0,0|0,1,1]=4 108 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,1,0,0,0,0|0,0,0]=2 109 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [1,1,0,0,0,0|0,0,2]=4 110 B6R0.2 CC(C)CB(O)O 6160-1-X3 [1,1,0,0,0,0|1,0,1]=4 111 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,1,0,0,0,0|0,0,0]=2 112 B6R0.2 CC(C)NC(N)=S 7167-1-18 [1,1,0,0,0,0|1,1,0]=4 113 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [1,1,0,0,0,0|0,1,0]=3 115 B6R0.2 CN(C)CC(=O)O 4158-1-40 [1,1,0,0,0,0|1,0,0]=3 116 B6R0.2 CN(C)CC(N)=S 7167-5-01 [1,1,0,0,0,0|1,1,0]=4 117 B6R0.3 CC(C)C(N)CO 4156-1-88 [1,1,0,0,0,0|0,0,2]=4 118 B6R0.3 CC(C)[C@@H](N)CO 4156-1-R5 [1,1,0,0,0,0|0,0,2]=4 119 B6R0.3 CC(C)[C@H](N)CO 4156-1-S5 [1,1,0,0,0,0|0,0,2]=4 120 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [1,1,0,0,0,0|1,1,0]=4 121 B6R0.4 CC(C)CN=C=S 7168-1-X1 [1,1,0,0,0,0|0,1,1]=4 122 B6R0.4 CC(C)OCCO 2107-1-0H [1,1,0,0,0,0|0,0,2]=4 123 B6R0.5 C=CC[Si](C)(C)C 5380-1-01 [1,1,0,0,0,0|1,1,0]=4 124 B6R0.5 C=CC[Si](C)(C)Cl 5381-5-03 [1,1,0,0,0,0|1,1,0]=4 125 B6R0.5 CC(C)(C)ON=O 4145-1-X1 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.6 C=CCCCCBr 1300-9-X5 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.6 C=CCCCCO 2301-1-06 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.6 CCCCCC=O 2115-1-X2 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.9 CCC(CC)CN 3130-1-X0 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.9 CCC(CC)NC 3131-5-01 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.9 COC(C=O)OC 2115-1-X1 [1,1,0,0,0,0|0,1,0]=3 132 B6R0.9 COC(CN)OC 4156-1-Z7 [1,1,0,0,0,0|1,1,0]=4 133 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,2,0,0,0,0|1,0,0]=3 134 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,2,0,0,0,0|1,0,0]=3 135 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [0,2,0,0,0,0|0,1,0]=3 136 B8R0.16 COC(CC(C)=O)OC 2117-1-X6 [0,2,0,0,0,0|0,1,0]=3 137 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO 2115-1-X0 [0,2,0,0,0,0|2,0,0]=4 138 B6R1.2 CC1CCCC1 1200-1-07 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.2 CC1CCNC1 3H31-5-95 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.2 OC1CC=CC1 2402-1-00 [1,0,0,1,0,0|1,1,0]=4 142 B6R1.3 NCCC1CC1 3230-5-07 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.3 OCCC1CC1 2201-1-11 [1,0,0,1,0,0|0,0,2]=4 144 B6R1.10 CC1(C)CNC1 3H31-5-96 [1,0,0,1,0,0|2,0,0]=4 145 B6R1.1 C1=CCOCC1 2H10-1-53 [1,0,0,1,0,0|1,1,0]=4 146 B6R1.1 C1CSCCN1 7H70-1-Z9 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.1 C1CSCSC1 5H66-1-31 [1,0,0,1,0,0|0,1,1]=4 148 B6R1.6 CSC1CNC1 7H66-1-65 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.6 O=CC1CCC1 2215-1-03 [1,0,0,1,0,0|1,0,0]=3 150 B6R1.7 CC1(CCl)CO1 2110-5-X1 [1,0,0,1,0,0|1,1,0]=4 151 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,1,0,1,0,0|2,0,0]=4 153 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,1,0,1,0,0|0,1,0]=3 154 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,1,0,1,0,0|2,0,0]=4 155 B8R1.18 CC1=NN(C)C(=O)C1 4H48-1-U6 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.2 CSC1CCNCC1 7H66-5-03 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,1,0,1,0,0|2,0,0]=4 161 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,1,0,1,0,0|2,0,0]=4 162 B8R2.38 O=C1CCC2CC12 2217-1-33 [0,0,0,2,0,0|1,0,0]=3