0 B6R0.1 CCC(C)CCN 4015078 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(=O)NN 3002586 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCCC(N)CC 4028240 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCCC(N)CC 4088911 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCC\C(N)=N\O 4030621 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCC\C(N)=N\O 4089955 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CCNC(=O)CBr 4023688 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CCNC(C)CC 4024881 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCNC(C)CC 4089770 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CNC(=O)CCCl 4027989 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CNC(=O)CCO 4035059 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CNC(C)CCO 4027121 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CNCC(=O)NC 4033340 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CNCC(C)OC 4031677 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.1 COC(=O)CCO 4041011 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.1 COC(C)CCN 4043534 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 COC\C(N)=N\O 4043775 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.1 CSC\C(N)=N\O 4042689 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 N\C(CCO)=N/O 4044130 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 C#CCC(=O)O 4035749 [1,0,0,0,0,0|0,0,2]=3 20 B5R0.1 C=C(C)CNN 4045392 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CC(N)CCO 4027026 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 COCC(=N)N 4018503 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 CNCCSC 4036386 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.2 COCCNN 4108243 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 CC\C(N)=N\O 4030035 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 CC\C(N)=N\O 4089717 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 CNC(=O)CBr 4023689 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.3 CNC(=O)CCl 4031514 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CNC(=O)CN 4030580 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 CNC(=O)CO 4032781 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.3 COC(C)CN 4031070 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 COC(C)CO 4045600 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.2 CC(C)CC(=O)NN 3014977 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.2 CC(C)CC(=O)NN 4032888 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 CC(C)NC(=O)CN 4030242 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 CC(C)NC(=O)CN 4091078 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.2 CC(O)CC(=O)NN 3015526 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.2 CNC(=O)CC(=N)N 4043145 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 COC(=O)CC(=N)N 4042869 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.3 CCC(=O)NCCN 4110359 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.3 CCN(C)CCCCl 4032711 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.3 CCN(C)CCCCl 4090852 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.3 CCN(C)CCCO 4027001 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.3 CCOCC(=O)NN 4024074 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.3 CCOCC(=O)NN 4089996 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.3 CNC(=O)CCCN 4030090 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.3 CNC(=O)CN=[N+]=[N-] 4040083 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.3 CNCCC(=O)NC 4030744 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.3 COCC\C(N)=N/O 4035623 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 CN(C)C(=O)CCCl 4027165 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.5 CN(C)C(=O)CCN 4033580 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.5 CN(C)C(=O)CCO 4035245 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.7 CCCC(C)NCC 4024861 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.7 CCNC(=O)CCCl 4027744 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.7 CCOC(=O)CCO 4040900 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.7 CCOC(C)CNC 4030660 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.7 CNCC(O)COC 4035032 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.10 CCC(C)C(=O)NN 4031480 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.10 CCC(N)C(=O)NC 4033837 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.10 CCC(N)C(=O)NO 4045655 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.10 CNC(=O)C(C)CN 4035379 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.10 CNC(=O)C(C)NC 4034384 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.10 CNC(C)C(=O)OC 4044238 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.10 COC(=O)C(=O)NN 4035403 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.10 COC(=O)C(C)CN 4052567 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.10 COC(C)C(=O)NN 4024075 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.11 CCS(=O)(=O)CCN 4033794 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.11 CNS(=O)(=O)CCN 4025618 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.11 COC(C)(C)CCN 4021563 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 COC1CCNC1 4029717 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.2 CC1COC(=O)N1 4045335 [0,0,0,1,0,0|1,0,0]=2 84 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.3 CC1CNCCO1 4019021 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.3 O=C1CCCSC1 4021743 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.3 O=C1CNCCN1 4102110 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.3 O=C1NCCCO1 4035958 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.4 NC1CCNC1=O 4110613 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.21 CCCC1(N)CC1 4021536 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.22 CCC(N)C1CC1 4044918 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.22 NNC(=O)C1CC1 3014982 [0,0,0,1,0,0|2,0,0]=3 94 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.2 CC(C)CC(=N)N 4012906 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.2 NC(=O)CC(=O)O 4027194 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.3 CNC(C)C(N)=O 4031071 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 COC(C)C(=O)O 4020866 [1,1,0,0,0,0|1,0,0]=3 102 B6R0.3 CSC(C)C(=O)O 4034068 [1,1,0,0,0,0|1,0,0]=3 103 B6R0.4 CCCCC(=N)N 4012905 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.4 CCOCC(=N)N 4018504 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.4 CCOCC(=N)N 4088124 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|0,0,0]=2 107 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|1,0,0]=3 108 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|0,0,0]=2 109 B6R0.4 CSCCC(=N)N 4042665 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.5 CS(=O)(=O)CCCl 4036406 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.5 CS(=O)(=O)CCN 4030796 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.6 CCCSCCN 4033597 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.6 CCCSCCN 4089004 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.6 CCOCCNC 4030249 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.6 CNCCCOC 4021520 [1,1,0,0,0,0|0,0,1]=3 117 B6R0.9 CCC(CN)OC 4031411 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.2 CCC(Br)C(=O)N(C)C 4045008 [0,2,0,0,0,0|1,0,0]=3 119 B8R0.2 CCC(N)C(=O)N(C)C 4032154 [0,2,0,0,0,0|1,0,0]=3 120 B8R0.2 CCN(C)C(=O)C(C)Br 4028266 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.2 CNC(C)C(=O)N(C)C 4032058 [0,2,0,0,0,0|2,0,0]=4 122 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,2,0,0,0,0|0,0,1]=3 124 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.19 CCN(C)CC(=O)NN 4032665 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.19 CCN(C)CC(=O)NN 4090335 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,2,0,0,0,0|1,0,0]=3 128 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,2,0,0,0,0|1,0,0]=3 129 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,2,0,0,0,0|1,0,1]=4 130 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.1 C=CCNC(=O)CCCl 4027154 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|1,0,0]=3 133 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|0,0,0]=2 134 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,2,0,0,0,0|0,0,1]=3 135 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,2,0,0,0,0|0,0,0]=2 138 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,2,0,0,0,0|1,0,0]=3 141 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,2,0,0,0,0|1,0,0]=3 142 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.25 CCS(=O)(=O)CCNC 4039868 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.13 CNC(=O)C(C)(C)CCl 4028260 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.13 CNC(=O)C(C)(C)NC 4034492 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.13 CNC(=O)C(C)(C)NC 4089260 [0,2,0,0,0,0|2,0,0]=4 148 B8R0.20 CCC(NC)C(=O)OC 4043991 [0,2,0,0,0,0|0,0,0]=2 149 B8R0.20 CCC(OC)C(=O)NN 4024078 [0,2,0,0,0,0|2,0,0]=4 150 B8R0.20 CCC(OC)C(=O)NN 4089867 [0,2,0,0,0,0|2,0,0]=4 151 B6R1.10 CC1(N)CCC1 4042856 [1,0,0,1,0,0|1,0,1]=4 152 B6R1.11 CC(N)C1CC1 4004109 [1,0,0,1,0,0|1,0,1]=4 153 B6R1.11 CC(N)C1CC1 4088031 [1,0,0,1,0,0|1,0,1]=4 154 B6R1.11 N=C(N)C1CC1 4041549 [1,0,0,1,0,0|2,0,0]=4 155 B6R1.11 N=C(N)C1CC1 4088692 [1,0,0,1,0,0|2,0,0]=4 156 B6R1.1 C1CCONC1 4013260 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.1 CCC1COC(=O)N1 4044759 [0,1,0,1,0,0|0,0,0]=2 158 B8R1.1 NCC1CCC(=O)N1 4110532 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.1 NCC1CNC(=O)C1 4002894 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.1 O=C1CC(CO)CN1 4108826 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.1 O=C1CCC(CI)N1 4110716 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.18 CN1CC(N)CC1=O 4014078 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.40 NCC(=O)NC1CC1 4031002 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,1,0,1,0,0|0,0,0]=2 175 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.2 COC1CCCNC1 4002969 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.2 COC1CCCNC1 4087774 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.2 COC1CCCNC1 4088818 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.2 COC1CCNCC1 4002968 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.2 COC1CCNCC1 4088815 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.2 O=CC1=COCCO1 4016981 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.3 O=C1NCC(O)CN1 4044966 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.22 O=C1CCNCCN1 4131005 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.22 O=C1CCSCCN1 4036022 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.22 O=C1CNCCCN1 4015468 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.22 O=C1CSCCSC1 4004797 [0,1,0,1,0,0|1,1,0]=4 199 B8R1.38 NNC(=O)C1CCC1 4032586 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.50 CN1CCC(Br)C1=O 4045629 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.50 CN1CCC(N)C1=O 4019955 [0,1,0,1,0,0|1,0,0]=3 202 B8R1.19 CC1(C)CCNC1=O 4035085 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.11 CCC1CCNC1=O 4035898 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [0,1,0,1,0,0|1,0,1]=4