0 B4R0.2 CNCC#N AC-61557 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 CSCCN AC-56055 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.1 N#CCN AC-22471 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 C[C@@H](N)CCO AC-68296 [0,1,0,0,0,0|2,0,0]=3 4 B5R0.2 CNCCC#N AC-77234 [0,1,0,0,0,0|2,0,1]=4 5 B5R0.2 NCCCCBr AC-81002 [0,1,0,0,0,0|2,0,0]=3 6 B5R0.3 CCC(N)CO AC-76788 [0,1,0,0,0,0|2,0,0]=3 7 B5R0.3 NCC(O)CO AC-15144 [0,1,0,0,0,0|3,0,0]=4 8 B5R0.3 NC[C@@H](O)CO AC-12808 [0,1,0,0,0,0|3,0,0]=4 9 B5R0.3 NC[C@H](O)CO AC-74173 [0,1,0,0,0,0|3,0,0]=4 10 B5R0.3 OC[C@@H](O)CCl AC-11570 [0,1,0,0,0,0|3,0,0]=4 11 B5R1.1 C1=CCNC1 AC-93805 [0,0,0,1,0,0|1,0,2]=4 12 B5R1.1 C1=COCC1 AC-74091 [0,0,0,1,0,0|0,1,2]=4 13 B5R1.2 BrC1CNC1 AC-70718 [0,0,0,1,0,0|3,0,0]=4 14 B5R1.2 CC1CNC1 AC-70645 [0,0,0,1,0,0|2,0,0]=3 15 B5R1.2 ClC1CNC1 AC-70638 [0,0,0,1,0,0|3,0,0]=4 16 B5R1.2 FC1CNC1 AC-39080 [0,0,0,1,0,0|3,0,0]=4 17 B5R1.2 NC1CCC1 AC-60987 [0,0,0,1,0,0|2,0,0]=3 18 B5R1.2 NC1CNC1 AC-39028 [0,0,0,1,0,0|3,0,0]=4 19 B5R1.2 NC1CNC1 AC-70603 [0,0,0,1,0,0|3,0,0]=4 20 B5R1.3 BrCC1CC1 AC-14412 [0,0,0,1,0,0|2,0,0]=3 21 B5R1.3 CNC1CC1 AC-37971 [0,0,0,1,0,0|2,0,0]=3 22 B5R1.3 ClCC1CC1 AC-37554 [0,0,0,1,0,0|2,0,0]=3 23 B5R1.3 N#CC1CC1 AC-10485 [0,0,0,1,0,0|2,0,1]=4 24 B5R1.3 NNC1CC1 AC-75900 [0,0,0,1,0,0|3,0,0]=4 25 B5R1.3 NNC1CC1 AC-75901 [0,0,0,1,0,0|3,0,0]=4 26 B5R1.3 NNC1CC1 AC-89330 [0,0,0,1,0,0|3,0,0]=4 27 B4R0.1 CCC(O)O AC-11575 [1,1,0,0,0,0|1,0,0]=3 28 B4R0.1 CCC(O)O AC-11576 [1,1,0,0,0,0|1,0,0]=3 29 B4R0.1 C[C@H](N)CN AC-75237 [1,1,0,0,0,0|1,0,0]=3 30 B4R0.1 C[C@H](N)CO AC-14576 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.1 CCOC(=O)CN AC-65788 [0,2,0,0,0,0|0,1,1]=4 32 B6R0.1 CCOC(=O)CO AC-76790 [0,2,0,0,0,0|0,1,1]=4 33 B6R0.1 COC(=O)CCS AC-74164 [0,2,0,0,0,0|2,0,0]=4 34 B6R0.3 COC(=O)C(C)N AC-10325 [0,2,0,0,0,0|2,0,0]=4 35 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.4 CC(=O)CCCBr AC-77239 [0,2,0,0,0,0|1,0,1]=4 37 B6R0.4 CC(=O)CCCCl AC-35279 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.4 CCCCB(O)O AC-11281 [0,2,0,0,0,0|2,0,0]=4 39 B6R0.4 CN(C)CCCCl AC-23395 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.4 CNCCC(C)=O AC-83135 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.6 BrCCCCCBr AC-23026 [0,2,0,0,0,0|1,0,0]=3 42 B4R1.2 BrC1CC1 AC-17947 [1,0,0,1,0,0|1,0,0]=3 43 B4R1.2 C[C@@H]1CO1 AC-13228 [1,0,0,1,0,0|0,1,0]=3 44 B4R1.2 C[C@H]1CO1 AC-13231 [1,0,0,1,0,0|0,1,0]=3 45 B6R1.2 BrC1=CCCC1 AC-37861 [0,1,0,1,0,0|1,0,1]=4 46 B6R1.2 BrC1CCNC1 AC-83481 [0,1,0,1,0,0|1,0,0]=3 47 B6R1.2 CC1=NCCC1 AC-76756 [0,1,0,1,0,0|1,0,1]=4 48 B6R1.2 CC1=NCCO1 AC-82993 [0,1,0,1,0,0|0,1,1]=4 49 B6R1.2 CC1CC=NN1 AC-87752 [0,1,0,1,0,0|1,0,1]=4 50 B6R1.2 CC1CCCN1 AC-44592 [0,1,0,1,0,0|1,0,0]=3 51 B6R1.2 CC1CCNC1 AC-41388 [0,1,0,1,0,0|1,0,0]=3 52 B6R1.2 C[C@@H]1CCCN1 AC-64584 [0,1,0,1,0,0|1,0,0]=3 53 B6R1.2 C[C@@H]1CCCN1 AC-75579 [0,1,0,1,0,0|1,0,0]=3 54 B6R1.2 C[C@H]1CCCN1 AC-64583 [0,1,0,1,0,0|1,0,0]=3 55 B6R1.2 FC1CCNC1 AC-80571 [0,1,0,1,0,0|1,0,0]=3 56 B6R1.2 F[C@H]1CCNC1 AC-23662 [0,1,0,1,0,0|1,0,0]=3 57 B6R1.2 IC1CCOC1 AC-43302 [0,1,0,1,0,0|0,1,0]=3 58 B6R1.2 N=C1CCCN1 AC-43001 [0,1,0,1,0,0|1,0,1]=4 59 B6R1.2 NC1=NCCC1 AC-76909 [0,1,0,1,0,0|1,0,1]=4 60 B6R1.2 NC1=NCCS1 AC-16812 [0,1,0,1,0,0|1,0,1]=4 61 B6R1.2 NC1CC=CC1 AC-79830 [0,1,0,1,0,0|1,0,1]=4 62 B6R1.2 NC1CCOC1 AC-32068 [0,1,0,1,0,0|0,1,0]=3 63 B6R1.2 NC1CCOC1 AC-77272 [0,1,0,1,0,0|0,1,0]=3 64 B6R1.2 NN1CCCC1 AC-16612 [0,1,0,1,0,0|1,0,0]=3 65 B6R1.2 NN1CCCC1 AC-32619 [0,1,0,1,0,0|1,0,0]=3 66 B6R1.2 N[C@H]1CCNC1 AC-11448 [0,1,0,1,0,0|1,0,0]=3 67 B6R1.2 N[C@H]1CCOC1 AC-39277 [0,1,0,1,0,0|0,1,0]=3 68 B6R1.2 O=C1CCNC1 AC-22267 [0,1,0,1,0,0|1,0,1]=4 69 B6R1.2 O=C1CCOC1 AC-39237 [0,1,0,1,0,0|0,1,1]=4 70 B6R1.2 O=C1NCCS1 AC-76781 [0,1,0,1,0,0|1,0,1]=4 71 B6R1.2 OC1CCOC1 AC-17899 [0,1,0,1,0,0|0,1,0]=3 72 B6R1.2 O[C@@H]1CCNC1 AC-10540 [0,1,0,1,0,0|1,0,0]=3 73 B6R1.2 O[C@@H]1CCNC1 AC-75583 [0,1,0,1,0,0|1,0,0]=3 74 B6R1.2 O[C@H]1CCNC1 AC-10541 [0,1,0,1,0,0|1,0,0]=3 75 B6R1.2 O[C@H]1CCOC1 AC-65385 [0,1,0,1,0,0|0,1,0]=3 76 B6R1.3 BrCCC1CC1 AC-71739 [0,1,0,1,0,0|1,0,0]=3 77 B6R1.3 CNCC1CC1 AC-44560 [0,1,0,1,0,0|1,0,0]=3 78 B6R1.3 ICCC1CC1 AC-87442 [0,1,0,1,0,0|1,0,0]=3 79 B6R1.3 NNCC1CC1 AC-75755 [0,1,0,1,0,0|2,0,0]=4 80 B6R1.5 CN1CC(O)C1 AC-70584 [0,1,0,1,0,0|2,0,0]=4 81 B6R1.10 CC1(N)CCC1 AC-58834 [0,1,0,1,0,0|1,0,0]=3 82 B6R1.10 CC1(N)COC1 AC-40072 [0,1,0,1,0,0|2,0,0]=4 83 B6R1.10 CC1(N)CSC1 AC-81990 [0,1,0,1,0,0|2,0,0]=4 84 B6R1.11 CC(N)C1CC1 AC-43331 [0,1,0,1,0,0|1,0,0]=3 85 B6R1.11 CC(N)C1CC1 AC-72240 [0,1,0,1,0,0|1,0,0]=3 86 B6R1.1 C1CSCCN1 AC-86787 [0,1,0,1,0,0|0,0,0]=2 87 B6R1.6 COC1CNC1 AC-70583 [0,1,0,1,0,0|2,0,0]=4 88 B6R1.6 NCC1CCN1 AC-59672 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.6 NCC1COC1 AC-40088 [0,1,0,1,0,0|2,0,0]=4 90 B6R1.6 OCC1CCO1 AC-27493 [0,1,0,1,0,0|0,1,0]=3 91 B6R1.6 OCC1CNC1 AC-39034 [0,1,0,1,0,0|2,0,0]=4 92 B6R1.7 NCC1(N)CC1 AC-92348 [0,1,0,1,0,0|2,0,0]=4 93 B6R1.7 OCC1(F)CC1 AC-93892 [0,1,0,1,0,0|2,0,0]=4