0 B6R1.2 CC1=NNCC1 BB57-2058 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 NC1=NCCS1 BB01-6189 [0,0,0,0,0,0|2,1,0]=3 2 B6R1.2 NC1CCNC1 BB01-6297 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 NN1CCCC1 BB58-5312 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 O=C1CCSC1 BB01-8335 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 OC1=NNCC1 BB53-1267 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.1 COC1=NCCC1 BB57-3196 [0,1,0,0,0,0|1,0,1]=3 7 B7R1.1 CSC1=NCCN1 BB20-0232 [0,1,0,0,0,0|2,1,0]=4 8 B7R1.1 OCC1CCCN1 BB01-5343 [0,1,0,0,0,0|1,0,2]=4 9 B7R1.1 OC[C@H]1CCCO1 BB31-4654 [0,1,0,0,0,0|0,0,2]=3 10 B5R0.1 CCCC(=N)N BB01-7895 [0,0,1,0,0,0|2,0,0]=3 11 B5R0.1 CCNC(N)=S BB20-1166 [0,0,1,0,0,0|2,1,0]=4 12 B5R0.2 CCCN=C=O BB58-3576 [0,0,1,0,0,0|1,0,1]=3 13 B5R0.2 CCOCCN BB57-6037 [0,0,1,0,0,0|2,0,1]=4 14 B5R0.2 COCCCBr BB58-3145 [0,0,1,0,0,0|3,0,0]=4 15 B5R0.3 C#CC(=O)OC BB53-1265 [0,0,1,0,0,0|0,0,2]=3 16 B5R0.3 CCC(=O)NN BB55-2154 [0,0,1,0,0,0|2,0,0]=3 17 B5R0.3 CC\C(N)=N\O BB05-3255 [0,0,1,0,0,0|3,0,0]=4 18 B5R0.3 CNC(=O)CCl BB20-1612 [0,0,1,0,0,0|2,0,0]=3 19 B5R0.3 CNC(=O)CN BB58-0122 [0,0,1,0,0,0|2,0,0]=3 20 B5R0.3 COC(=O)CN BB17-0807 [0,0,1,0,0,0|1,0,0]=2 21 B5R0.3 COC(=O)NN BB17-2415 [0,0,1,0,0,0|2,0,0]=3 22 B5R0.3 COC(=S)NN BB58-1099 [0,0,1,0,0,0|2,1,0]=4 23 B7R1.3 FC1CCCNC1 BB31-0459 [0,0,0,0,0,1|2,0,1]=4 24 B7R1.3 NN1CCOCC1 BB01-6278 [0,0,0,0,0,1|3,0,0]=4 25 B7R1.3 O=C1CCOCC1 BB53-1277 [0,0,0,0,0,1|1,0,0]=2 26 B7R1.3 O=C1CCSCC1 BB53-1260 [0,0,0,0,0,1|1,0,0]=2 27 B7R1.3 OC1CCCNC1 BB01-6209 [0,0,0,0,0,1|1,0,2]=4 28 B7R1.3 OC1CCNCC1 BB17-2908 [0,0,0,0,0,1|1,0,2]=4 29 B4R0.1 CC(=O)NN BB01-6190 [1,0,1,0,0,0|2,0,0]=4 30 B4R0.1 CCC(N)=S BB58-4261 [1,0,1,0,0,0|1,1,0]=4 31 B4R0.1 CCS(=O)[O-] BB58-0194 [1,0,1,0,0,0|1,0,1]=4 32 B4R0.1 COC(=S)[S-] BB57-1615 [1,0,1,0,0,0|1,1,0]=4 33 B4R0.1 NC(=O)CO BB58-4485 [1,0,1,0,0,0|2,0,0]=4 34 B4R0.2 CCN=C=O BB01-7862 [1,0,1,0,0,0|1,0,1]=4 35 B4R0.2 CNCCO BB53-1758 [1,0,1,0,0,0|1,0,1]=4 36 B4R0.2 COCCBr BB58-3144 [1,0,1,0,0,0|1,0,1]=4 37 B4R0.2 COCCN BB17-0802 [1,0,1,0,0,0|1,0,1]=4 38 B6R0.1 CCCC(=O)NN BB01-6388 [0,1,1,0,0,0|1,0,0]=3 39 B6R0.1 CCCC(O)C#N BB58-1313 [0,1,1,0,0,0|1,0,1]=4 40 B6R0.1 CCNC(=O)CCl BB20-1611 [0,1,1,0,0,0|1,0,0]=3 41 B6R0.1 CCOC(=O)NN BB17-2384 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.1 CNC(=O)CCN BB32-2825 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.2 CC(C)CB(O)O BB01-8323 [0,1,1,0,0,0|1,0,1]=4 44 B6R0.3 CC(CN)C(=O)O BB58-0275 [0,1,1,0,0,0|1,0,0]=3 45 B6R0.3 CCC(N)C(=O)O BB55-8838 [0,1,1,0,0,0|0,0,0]=2 46 B6R0.3 CON(C)C(C)=O BB20-1414 [0,1,1,0,0,0|2,0,0]=4 47 B6R0.3 C\C=C(/Br)C(=O)O BB58-4520 [0,1,1,0,0,0|0,0,2]=4 48 B6R0.3 NCC(O)C(=O)O BB58-4543 [0,1,1,0,0,0|1,0,0]=3 49 B6R0.4 CC(=O)NCCN BB20-2208 [0,1,1,0,0,0|1,0,0]=3 50 B6R0.4 CC(C)OCCO BB01-5911 [0,1,1,0,0,0|1,0,1]=4 51 B6R0.4 CCNCC(=O)O BB20-0183 [0,1,1,0,0,0|0,0,0]=2 52 B6R0.4 O=CNCC(=O)O BB01-7318 [0,1,1,0,0,0|1,0,1]=4 53 B6R0.6 COCCN=C=O BB01-6551 [0,1,1,0,0,0|1,0,1]=4 54 B6R0.6 O=C=NCCCCl BB01-6557 [0,1,1,0,0,0|1,0,1]=4 55 B8R1.2 O=CC1CCCCC1 BB01-6149 [0,1,0,0,0,1|1,0,1]=4 56 B8R1.2 OCC1CCCCO1 BB01-4802 [0,1,0,0,0,1|0,0,2]=4 57 B8R1.2 ON=C1CCOCC1 BB55-3583 [0,1,0,0,0,1|1,0,1]=4 58 B8R1.3 CC1=NNC(=O)CC1 BB55-6123 [0,1,0,0,0,1|1,0,1]=4 59 B8R1.4 NC1=CC(=O)CCC1 BB17-0155 [0,1,0,0,0,1|1,0,0]=3 60 B8R1.5 CC1SCCNC1=O BB57-3772 [0,1,0,0,0,1|1,0,0]=3 61 B8R1.5 CN1CCCNC1=O BB58-3630 [0,1,0,0,0,1|1,0,0]=3 62 B8R1.5 NC1CCCNC1=O BB01-4609 [0,1,0,0,0,1|1,0,0]=3 63 B8R1.8 O=C=NC1CCCC1 BB01-4455 [0,2,0,0,0,0|1,0,1]=4 64 B8R1.11 O=C1CCCN1CO BB58-4363 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.51 NC1CCS(=O)(=O)C1 BB01-4664 [0,2,0,0,0,0|2,0,0]=4 66 B6R1.11 CC(=O)C1CC1 BB01-6094 [0,0,1,1,0,0|1,0,0]=3