0 B6R0.6 C#CCNCC=C 4013089 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCNCC=C 7355693 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C=CCCCCN 4067494 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C=CCNCCC 4031693 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 CCCSCCN 4033597 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 CCCSCCN 4089004 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 FCCCCCBr 4041608 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 C#CCCCBr 4079721 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 C#CCCCN 4063954 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.2 C=CCCCN 4075680 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.2 COCCNN 4108243 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.2 NNCCCO 4085333 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.3 CCC(=O)NCCN 4110359 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.3 CCCNC(C)CO 4027950 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.3 CCCOC(C)CN 4031060 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.3 CCOCC(O)CN 4001724 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.4 C=CCNCC(C)C 4029119 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.4 CC(C)CNCCO 4029069 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.4 CCCCCC(=N)N 4012907 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.4 CCCCCC(=N)N 4088605 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.7 CN(CCN)CCO 4028518 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.1 CCC1C=CCN1 4030606 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.1 NCC1CCCC1 4018103 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.1 NCC1CCCC1 4110554 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.1 NCC1CCOC1 4037969 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.1 OCC1C=CCN1 4029232 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 BrC1CCCOC1 4032123 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.3 CC1CNCCO1 4019021 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.3 C[C@@H]1COCCN1 4037047 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.3 NC1CCCOC1 4018204 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 O=C1CNCCN1 4102110 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.6 NCCC1CCC1 4036646 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.7 CCCNC1CC1 4028302 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.7 CCCNC1CC1 4110664 [0,0,0,1,0,0|2,0,0]=3 38 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.1 C=CCC(O)CN 4080175 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.1 CCC(C)CCN 4015078 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.1 CCC(O)CNN 4030953 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.1 CCCC(N)CC 4028240 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.1 CCCC(N)CC 4088911 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.1 CCNC(=O)CBr 4023688 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.1 CCNC(C)CC 4024881 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.1 CCNC(C)CC 4089770 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.1 CCNC(C)CO 4027506 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.1 CCOC(C)CN 4029821 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.1 COC(C)CCN 4043534 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.1 COCC(O)CN 4001723 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 C=CCNC(C)C 4026873 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 C=CCNC(C)C 4090944 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|1,0,0]=3 54 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.4 CCCCC(=N)N 4012905 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.4 CCOCC(=N)N 4018504 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 CCOCC(=N)N 4088124 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.8 CCCNC(C)C(C)C 4024851 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.8 CCCNC(C)C(C)C 4088422 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.11 CCCNC(CC)CC 4024896 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.11 CCCNC(CC)CC 4088634 [0,2,0,0,0,0|2,0,0]=4 64 B6R1.1 C1CCONC1 4013260 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.2 CC1CNOC1 4040895 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.2 NC1CCOC1 4003522 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.2 OC1CNOC1 4044152 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.3 CCNC1CC1 4110570 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.6 NCC1CCC1 4003518 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.2 C=CC1CCCNC1 4108333 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.2 CCC1CCCNC1 4018855 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.2 CCC1CNCCN1 4029768 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.2 CCC1CNCCO1 4018983 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.2 CCC1COCCN1 4021665 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.2 CCC1COCCN1 4087890 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.2 COC1CCCNC1 4002969 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.2 COC1CCCNC1 4087774 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.2 COC1CCCNC1 4088818 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.2 N#CC1CCCNC1 4009818 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.2 NCC1CCCOC1 4014028 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.2 NCC1CCCOC1 4087864 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.2 NCC1CCOCC1 4004281 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.2 NCC1CCOCC1 4089498 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.2 NCC1COCCO1 4101741 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.2 OCC1COCCN1 4027853 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.5 CC1CNCCN1C 4002085 [0,1,0,1,0,0|1,0,0]=3 89 B8R1.5 CC1CNCCN1C 4089459 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|1,0,1]=4 92 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.5 N[C@@H]1COCC[C@@H]1O 4091253 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.5 N[C@@H]1COCC[C@H]1O 4080370 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.5 N[C@H]1CCOC[C@@H]1O 4051506 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.5 O[C@H]1CCNC[C@H]1O 4034770 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.8 CCCC1CCNC1 4018767 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.8 CNCC1CCCC1 4043685 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.8 CNCC1CCCN1 4111536 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.8 CNCC1CCCO1 4018249 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.8 NCCC1CCCC1 4015075 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.8 NCCC1CCCC1 4087871 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.8 NCCC1CCOC1 4037193 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.8 OCCC1CCCN1 4019404 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.8 OCCN1CCC=N1 4039918 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.11 CN1CCCC1CCl 4041434 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.11 CN1CCCC1CN 4111535 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.11 CN[C@H]1COC[C@@H]1O 4033800 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.11 CO[C@@H]1COC[C@@H]1N 4077424 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.11 CO[C@H]1CNC[C@@H]1O 4033113 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.11 CO[C@H]1COC[C@@H]1N 4031140 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.11 NN[C@@H]1CCC[C@H]1O 4035460 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.11 OC[C@H]1CNC[C@@H]1O 4037529 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.22 CC1CCCCCN1 4043402 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.22 CC1CCCNCC1 4041336 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.22 O=C1CCNCCN1 4131005 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.22 O=C1CCSCCN1 4036022 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.22 O=C1CNCCCN1 4015468 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.22 OC1CCCNCC1 4030734 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.1 NCC1CCC(=O)N1 4110532 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.40 NCC(=O)NC1CC1 4031002 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.50 N[C@@H]1CC[C@@H](O)[C@@H]1O 4059624 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.50 N[C@@H]1CC[C@@H](O)[C@H]1O 4058999 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.52 CC1(CO)CCCN1 4040826 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.4 CC1CN(C)CCN1 4050805 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.4 CN1CCCC(N)C1 4004054 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.6 NCC[C@H]1C[C@@H](O)C1 4078254 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.7 CC(N)C1CCCC1 4040740 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.35 CC(C)CNC1CC1 4030537 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.72 CC1(C)CCCNC1 4029954 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.72 CC1(C)CNCCO1 4017656 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.72 CC1(N)CCCCC1 4017356 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.72 CC1(O)CCCNC1 4016060 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 4056916 [0,1,0,1,0,0|1,0,0]=3 149 B8R2.34 C1CC2CC1CN2 4100721 [0,0,0,2,0,0|2,0,0]=4 150 B8R2.34 C1CC2CCC1N2 4021192 [0,0,0,2,0,0|2,0,0]=4 151 B8R2.2 CC12CNCC1C2 4043501 [0,0,0,2,0,0|2,0,0]=4