0 B5R0.3 CO[C@@H](C)CN BB0220352 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CO[C@@H](C)CN BB0290080 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CO[C@@H](C)CO BB0262966 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 CC(C)NN BB0218180 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.1 CCC(=N)N BB0263021 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 NCC(=O)O BB0265974 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 C=CCNC BB0263010 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.2 CCCNN BB0220585 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 COCCO BB0268028 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.2 CSCSC BB0266023 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.2 OCCCF BB0268117 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 CNC[C@H](C)OC BB0220527 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.3 CC(C)[C@@H](N)CO BB0262988 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.3 CO[C@@H](C)C(N)=O BB0287968 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.3 N[C@@H](CO)C(=O)O BB0282131 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.3 N[C@@H](CS)C(=O)O BB0282130 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.9 CC[C@@H](CN)OC BB0220580 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.9 CC[C@@H](CN)OC BB0290081 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.9 CC[O+](CC)CC BB0262900 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.9 COC(CN)OC BB0268271 [0,1,0,0,0,0|2,0,1]=4 20 B6R1.2 CC1=NNCC1 BB0267675 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.2 N[C@H]1CCOC1 BB0261198 [0,0,0,1,0,0|1,0,2]=4 22 B6R1.6 OCC1CNC1 BB0262899 [0,0,0,1,0,0|1,0,2]=4 23 B3R0.1 O=CC=O BB0268084 [2,0,0,0,0,0|1,0,1]=4 24 B3R0.2 C=C(C)Br BB0272402 [2,0,0,0,0,0|1,0,1]=4 25 B3R0.2 C=[N+](C)C BB0263006 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 CN(C)CCCl BB0258808 [1,1,0,0,0,0|1,0,1]=4 27 B5R0.4 CC(C)(C)CN BB0270519 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.4 CC(C)(C)NN BB0218176 [1,1,0,0,0,0|2,0,0]=4 29 B5R0.4 CC(C)(N)C#N BB0237433 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.4 CC(C)(N)CO BB0266931 [1,1,0,0,0,0|0,0,2]=4 31 B5R0.4 CC(C)(O)CN BB0237226 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.4 CNC(C)(C)C BB0218187 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.5 CC(C)C(=N)N BB0238637 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.5 CN(C)C(=N)N BB0269541 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.2 C=CCCCN BB0270548 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.2 CC[C@H](C)CC(C)=O BB0263047 [0,2,0,0,0,0|0,0,0]=2 37 B7R0.5 O=C(Cl)[C@@H](Br)CCBr BB0269494 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.10 CO[C@@H](C)C(=O)NN BB0289129 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.13 CC(C)(CN)C(N)=O BB0272417 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.15 CC[C@H](OC)C(N)=O BB0288540 [0,2,0,0,0,0|0,0,0]=2 41 B7R0.16 CC(C)C(C)C(C)C BB0265997 [0,2,0,0,0,0|1,0,1]=4 42 B5R1.2 O=C1COC1 BB0263332 [1,0,0,1,0,0|1,0,1]=4 43 B5R1.3 N#CC1CC1 BB0269492 [1,0,0,1,0,0|1,0,1]=4 44 B5R1.3 O=CC1CC1 BB0268091 [1,0,0,1,0,0|0,0,0]=2 45 B7R1.1 CNC1CCCC1 BB0218283 [0,1,0,1,0,0|1,0,1]=4 46 B7R1.1 NCC1CCCC1 BB0270477 [0,1,0,1,0,0|1,0,1]=4 47 B7R1.1 NNC1CCCC1 BB0217836 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.1 OCC1CCCC1 BB0221114 [0,1,0,1,0,0|0,0,2]=4 49 B7R1.1 OC[C@H]1CCCN1 BB0260416 [0,1,0,1,0,0|0,0,2]=4 50 B7R1.2 N[C@@H]1CNC(=O)C1 BB0270359 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F BB0260288 [0,1,0,1,0,0|1,0,0]=3 52 B7R1.18 N=C(N)C1CCC1 BB0263077 [0,1,0,1,0,0|1,0,0]=3 53 B7R1.18 O=C(O)C1=CCC1 BB0262190 [0,1,0,1,0,0|0,0,2]=4 54 B7R1.18 O=C(O)C1CCC1 BB0269490 [0,1,0,1,0,0|0,0,0]=2 55 B7R1.23 CC1(C)C[C@@H]1C#N BB0262953 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.23 CC1(C)C[C@@H]1CI BB0262943 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.23 CC1(C)C[C@@H]1CN BB0262897 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.23 CC1(C)C[C@@H]1CO BB0262896 [0,1,0,1,0,0|0,0,2]=4