0 B5R0.1 CC(=O)CCBr BB31-4479 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 COCC(N)=O BB31-3207 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 O=C(O)CCF BB32-2513 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 O=C(O)\C=C\Br BB31-5400 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 C#CCC(=O)OC BB32-1580 [0,1,0,0,0,0|0,0,3]=4 5 B6R0.1 CCCC(=O)CCl BB31-4027 [0,1,0,0,0,0|1,0,2]=4 6 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,1,0,0,0,0|0,0,2]=3 7 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,1,0,0,0,0|1,0,2]=4 8 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,1,0,0,0,0|0,0,2]=3 9 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,1,0,0,0,0|0,0,2]=3 10 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.4 CC(=O)CCCBr BB31-6000 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.4 COCOC(C)=O BB32-2824 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.4 NCCNC(N)=O BB32-3910 [0,1,0,0,0,0|2,0,1]=4 14 B6R1.2 BrC1=CC=NN1 BB52-6941 [0,0,0,1,0,0|3,0,0]=4 15 B6R1.2 BrC1=NC=CO1 BB31-1167 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 FC1=NNC=C1 BB31-2835 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 NC1=CC=NS1 BB31-5278 [0,0,0,1,0,0|2,1,0]=4 18 B6R1.2 NC1=NCCO1 BB32-1676 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.2 O=C1C=CCS1 BB32-1702 [0,0,0,1,0,0|0,1,0]=2 20 B6R1.2 O=C1C=CON1 BB32-3109 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.11 O=C(O)C1CO1 BB31-6282 [0,0,0,1,0,0|1,0,1]=3 23 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [0,0,0,1,0,0|1,0,2]=4 24 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.3 CCC(=O)CN BB31-8248 [1,1,0,0,0,0|1,0,1]=4 26 B5R0.4 C=CS(N)(=O)=O BB32-0965 [1,1,0,0,0,0|1,0,1]=4 27 B5R0.5 CC(=O)C(N)=O BB32-3571 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,2,0,0,0,0|0,0,2]=4 29 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,2,0,0,0,0|0,0,2]=4 30 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,2,0,0,0,0|0,0,2]=4 31 B7R0.7 CCOC(=O)\C=C\I BB32-1414 [0,2,0,0,0,0|1,0,0]=3 32 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [0,2,0,0,0,0|0,0,0]=2 33 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,2,0,0,0,0|0,0,2]=4 34 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,2,0,0,0,0|1,0,1]=4 35 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,2,0,0,0,0|0,0,2]=4 36 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,2,0,0,0,0|0,0,0]=2 37 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,2,0,0,0,0|0,0,2]=4 38 B7R1.1 ClCC1=CC=NO1 BB54-1978 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.1 NCC1=CC=NO1 BB31-7725 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.1 O=CC1=CN=CO1 BB31-8199 [0,1,0,1,0,0|1,0,1]=4 41 B7R1.1 O=CC1=NC=CO1 BB31-4873 [0,1,0,1,0,0|1,0,1]=4 42 B7R1.1 OCC1=CC=NO1 BB31-7380 [0,1,0,1,0,0|1,0,1]=4 43 B7R1.2 CC1=CN=C(Cl)N1 BB52-6879 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.2 CC1=COC(=S)N1 BB31-1630 [0,1,0,1,0,0|1,1,0]=4 45 B7R1.2 CC1=CSC(Br)=C1 BB32-2597 [0,1,0,1,0,0|1,1,0]=4 46 B7R1.2 CC1=CSC(Br)=N1 BB52-6860 [0,1,0,1,0,0|2,0,0]=4 47 B7R1.2 CC1=CSC(Cl)=N1 BB52-6861 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.2 CC1=NC(Br)=CN1 BB52-6869 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.2 CC1=NC=C(N)S1 BB31-6356 [0,1,0,1,0,0|1,1,0]=4 50 B7R1.2 CC1=NN=C(N)O1 BB52-8438 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.2 CC1=NNC(S)=C1 BB52-7305 [0,1,0,1,0,0|1,1,0]=4 52 B7R1.2 CC1=NOC(Br)=N1 BB17-3013 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.2 CN1C=CC(Cl)=N1 BB32-3167 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.2 CN1C=CC(N)=C1 BB31-0815 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.2 NC1=CC(N)=NO1 BB52-2394 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [0,1,0,1,0,0|0,0,0]=2 58 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,1,0,1,0,0|0,0,2]=4 59 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.2 O[C@@H]1C=C[C@H](O)C1 BB31-6115 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,1,0,1,0,0|1,0,0]=3 62 B7R1.3 O=C1C=COC=C1 BB31-5938 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.3 O=C1CNCCO1 BB32-2655 [0,1,0,1,0,0|0,0,2]=4 64 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.4 CC1=C(Br)C=NO1 BB32-3633 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.4 CC1=C(I)C=NO1 BB31-6971 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.4 NC1CCOC1=O BB52-6516 [0,1,0,1,0,0|0,0,2]=4 68 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,1,0,1,0,0|0,0,2]=4 69 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,1,0,1,0,0|0,0,2]=4 70 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,1,0,1,0,0|0,0,2]=4 71 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,1,0,1,0,0|0,0,0]=2 72 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,1,0,1,0,0|0,0,2]=4 73 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [0,1,0,1,0,0|0,0,2]=4