0 B7R1.2 CC1=NN=C(N)O1 BB52-8438 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 NC1=NC(=O)NN1 BB31-0067 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [0,0,0,0,0,0|0,0,4]=4 7 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,0,0,0,0,0|1,0,2]=3 9 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,0,0,0,0,0|2,1,0]=3 11 B6R1.2 BrC1=NC=CO1 BB31-1167 [1,0,0,0,0,0|2,0,1]=4 12 B6R1.2 NC1=NCCO1 BB32-1676 [1,0,0,0,0,0|2,0,1]=4 13 B6R1.2 O=C1C=CCS1 BB32-1702 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.2 O=C1C=CON1 BB32-3109 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,1,0,0,0,0|1,0,1]=3 17 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.18 O=C1NC(=O)C(Br)S1 BB31-9704 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.50 CN1C(=O)CNC1=S BB31-5805 [0,1,0,0,0,0|2,1,0]=4 22 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.4 CC(=O)CCCBr BB31-6000 [0,0,1,0,0,0|2,0,1]=4 25 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,0,0,0,1,0|3,0,0]=4 26 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,0,0,0,1,0|1,0,2]=4 27 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,0,0,0,0,1|2,0,1]=4 28 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,0,0,0,0,1|2,0,1]=4 29 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,0,0,0,0,1|2,0,1]=4 30 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,0,0,0,0,1|1,0,2]=4 31 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,0,0,0,0,1|2,0,1]=4 32 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,0,0,1|1,0,1]=3 33 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,0,0,0,1|2,0,1]=4 35 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,0,0,0,0,1|2,0,1]=4 36 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,0,0,0,0,1|1,0,2]=4 37 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,0,0,0,0,1|1,0,2]=4 38 B8R1.4 O=C1N=CNC(=O)N1 BB31-4849 [0,0,0,0,0,1|2,0,1]=4 39 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,1,0,0,0|2,0,0]=4 40 B5R0.1 O=C(O)CCF BB32-2513 [1,0,1,0,0,0|1,0,0]=3 41 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,0,1,0,0,0|1,0,1]=4 42 B5R0.3 CCC(=O)CN BB31-8248 [1,0,1,0,0,0|1,0,1]=4 43 B5R1.1 C1CNOC1 BB31-7828 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.7 CCOC(=O)\C=C\I BB32-1414 [0,1,1,0,0,0|2,0,0]=4 45 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,1,1,0,0,0|1,0,1]=4 46 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,1,1,0,0,0|0,0,2]=4 47 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,1,1,0,0,0|1,0,1]=4 48 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,1,1,0,0,0|1,0,1]=4 49 B7R1.1 O=CC1=CN=CO1 BB31-8199 [1,1,0,0,0,0|1,0,1]=4 50 B7R1.1 O=CC1=NC=CO1 BB31-4873 [1,1,0,0,0,0|1,0,1]=4 51 B7R1.4 NC1CCNC1=O BB31-0754 [1,1,0,0,0,0|1,0,1]=4 52 B7R1.4 NC1CCOC1=O BB52-6516 [1,1,0,0,0,0|0,0,1]=3 53 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,1,0,0,0,1|1,0,1]=4 54 B9R1.69 C[C@@H]1NC(=O)CNC1=O BB32-2306 [0,1,0,0,0,1|2,0,0]=4 55 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,1,0,0,0,1|1,0,1]=4 56 B9R1.3 O=C1CCCC(O)=C1Cl BB31-6366 [0,1,0,0,0,1|1,0,1]=4 57 B9R1.22 CCC1NC(=O)NC1=O BB31-6009 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.35 CC(=O)N1CCC(=O)C1 BB32-2049 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.132 COC1=C(Br)C(=O)CC1 BB31-2743 [0,2,0,0,0,0|1,0,1]=4 60 B9R1.106 CC1(C)C(=O)CCC1=O BB32-1969 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,0,1,1,0,0|2,0,0]=4 62 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,0,1,0,1,0|1,0,0]=3 63 B9R1.48 O=C1CCCNC(=O)C1 BB31-4559 [0,0,0,0,0,2|1,0,0]=3