0 B6R0.3 CC(CN)N(C)C 4026858 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 CNC(C)C(C)C 4027192 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CNC(C)C(N)=O 4031071 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 COC(C)C(=O)O 4020866 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 CSC(C)C(=O)O 4034068 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 C#CCC(=O)O 4035749 [1,0,0,0,0,0|0,0,2]=3 6 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 COCC(=N)N 4018503 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.3 CC(CN)CO 4036254 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.3 CC[C@@H](O)CN 4036900 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CC\C(N)=N\O 4030035 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 CC\C(N)=N\O 4089717 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 CNC(C)CO 4028640 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.3 COC(C)C#N 4045776 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 COC(C)CN 4031070 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 COC(C)CO 4045600 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.5 CC(C)C(=N)N 4034735 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.5 CC(C)C(=N)N 4088764 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.5 CC(O)C(=N)N 4048497 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.5 CC(=O)N(C)CCO 4036108 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.5 CC(CCN)N(C)C 4026896 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.5 CC(CCO)N(C)C 4027250 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.5 CCNC(C)C(N)=O 4030069 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.5 CCNC(C)C(N)=O 4089759 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.5 CCOC(C)C(=O)O 4020873 [0,1,0,0,0,0|0,0,0]=1 27 B7R0.5 CCSC(C)C(=O)O 4028492 [0,1,0,0,0,0|0,0,0]=1 28 B7R0.5 CNCC(C)C(=O)O 4043069 [0,1,0,0,0,0|0,0,0]=1 29 B7R0.10 CCC(C)C(=O)NN 4031480 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.10 CCC(N)C(=O)NC 4033837 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.10 CCC(N)C(=O)NO 4045655 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.10 CCN(C)C(C)CO 4027973 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.10 CNC(=O)C(C)CN 4035379 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.10 CNC(=O)C(C)NC 4034384 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.10 CNC(C)C(=O)OC 4044238 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.10 COC(=O)C(C)CN 4052567 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.10 COC(C)C(=O)NN 4024075 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.10 COC(C)\C(N)=N/O 4045625 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.13 CC(C)(CN)C(=O)O 4020272 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.13 COC(C)(C)C(=O)O 4021500 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.14 CCN(C)S(=O)(=O)Cl 4036358 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.15 CCC(CN)N(C)C 4028064 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.15 CCC(CO)N(C)C 4026790 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.15 CCC(NC)C(N)=O 4029111 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.15 CCC(OC)C(=O)O 4020880 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.4 NC1CCNC1=O 4110613 [0,0,0,1,0,0|2,0,0]=3 50 B7R0.2 CCC(C)CC(=N)N 4012909 [0,0,0,0,0,1|2,0,0]=3 51 B7R0.2 CCC(C)CC(=N)N 4088237 [0,0,0,0,0,1|2,0,0]=3 52 B7R0.2 CCC(C)CC(C)=O 4031282 [0,0,0,0,0,1|1,0,0]=2 53 B7R0.2 CCN(C)CC(=O)O 4026801 [0,0,0,0,0,1|1,0,0]=2 54 B7R0.2 CCN(C)CC(C)=O 4028374 [0,0,0,0,0,1|2,0,0]=3 55 B7R0.2 CCN(C)CC(C)=O 4088950 [0,0,0,0,0,1|2,0,0]=3 56 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,0,0,0,0,1|2,0,1]=4 57 B7R0.2 CNC(C)CC(=O)O 4035495 [0,0,0,0,0,1|1,0,0]=2 58 B7R0.2 CNC(C)CC(N)=O 4043924 [0,0,0,0,0,1|2,0,0]=3 59 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.1 CC(C)NN 4032832 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 CCCC(=O)NN 3002586 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.1 CCC\C(N)=N\O 4030621 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.1 CCC\C(N)=N\O 4089955 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.1 CCNC(=O)CBr 4023688 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.1 CNC(=O)CCCl 4027989 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.1 CNC(=O)CCO 4035059 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.1 CNCC(=O)NC 4033340 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.1 COC(=O)CCO 4041011 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.1 COC\C(N)=N\O 4043775 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.1 CSC\C(N)=N\O 4042689 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.1 N\C(CCO)=N/O 4044130 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.2 CC(C)CC(=N)N 4012906 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.2 NC(=O)CC(=O)O 4027194 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.4 CCCCC(=N)N 4012905 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.4 CCOCC(=N)N 4018504 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.4 CCOCC(=N)N 4088124 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|0,0,0]=2 81 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.4 CSCCC(=N)N 4042665 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.8 C=CC(C)(C)CO 4071188 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.8 CCC(C)(N)CC 4035688 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.9 CCC(CC)CN 4034714 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.9 CCC(CC)NC 4027066 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.9 CCC(CC)NC 4090629 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.9 CCC(CN)OC 4031411 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.7 CC(C)(C)C(=N)N 4034719 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.7 CC(C)(N)C(N)=O 4029572 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.2 CCN(C)C(C)C(=O)O 4027525 [0,1,0,0,0,1|1,0,0]=3 94 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,1,0,0,0,1|2,0,0]=4 95 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,1,0,0,0,1|2,0,0]=4 96 B8R0.5 CN(CCO)CC(=O)O 4027421 [0,1,0,0,0,1|1,0,0]=3 97 B8R0.16 CCN(CC)CC(=O)O 4010142 [0,1,0,0,0,1|1,0,0]=3 98 B8R0.16 COC(CC(=O)O)OC 4049868 [0,1,0,0,0,1|1,0,0]=3 99 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,1,0,0,0,1|1,0,0]=3 100 B8R0.19 CCN(C)CC(=O)NN 4032665 [0,1,0,0,0,1|2,0,0]=4 101 B8R0.19 CCN(C)CC(=O)NN 4090335 [0,1,0,0,0,1|2,0,0]=4 102 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,1,0,0,0,1|2,0,0]=4 103 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,1,0,0,0,1|2,0,0]=4 104 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,1,0,0,0,1|2,0,0]=4 105 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [0,1,0,0,0,1|1,0,0]=3 106 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [0,1,0,0,0,1|1,0,0]=3 107 B8R0.34 C=CC(C)(C)CC(=O)O 4032003 [0,1,0,0,0,1|0,0,2]=4 108 B8R0.34 CC(C)(CO)CC(=O)[O-] 4066008 [0,1,0,0,0,1|1,0,1]=4 109 B8R0.34 CCS(=O)(=O)CC(=O)O 4027612 [0,1,0,0,0,1|2,0,0]=4 110 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,2,0,0,0,0|1,0,1]=4 113 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.8 C=CCSC(C)C(=O)O 4026797 [0,2,0,0,0,0|0,0,1]=3 117 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,2,0,0,0,0|1,0,1]=4 118 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,2,0,0,0,0|0,0,0]=2 119 B8R0.12 CC(C)(CCN)C(=O)O 4030205 [0,2,0,0,0,0|0,0,0]=2 120 B8R0.12 CCOC(C)(C)C(=O)O 4021501 [0,2,0,0,0,0|0,0,0]=2 121 B8R0.12 COCC(C)(C)C(=O)O 4030901 [0,2,0,0,0,0|0,0,0]=2 122 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,2,0,0,0,0|0,0,0]=2 123 B8R0.13 CNC(=O)C(C)(C)CCl 4028260 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.13 CNC(=O)C(C)(C)NC 4034492 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.13 CNC(=O)C(C)(C)NC 4089260 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.13 CNC(C)(C)\C(C)=N\O 3002064 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.20 CCC(NC)C(=O)OC 4043991 [0,2,0,0,0,0|0,0,0]=2 128 B8R0.20 CCC(OC)C(=O)NN 4024078 [0,2,0,0,0,0|1,0,0]=3 129 B8R0.20 CCC(OC)C(=O)NN 4089867 [0,2,0,0,0,0|1,0,0]=3 130 B8R0.20 CCN(CC)C(=O)CBr 4023672 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.37 C=C(C)C(C)(C)C(=O)O 4041350 [0,2,0,0,0,0|0,0,1]=3 132 B8R0.18 CCC(C(=O)O)N(C)C 4028086 [0,2,0,0,0,0|0,0,0]=2 133 B6R1.11 N=C(N)C1CC1 4041549 [1,0,0,1,0,0|2,0,0]=4 134 B6R1.11 N=C(N)C1CC1 4088692 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.6 NCC1CCC1 4003518 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.1 CCC1COC(=O)N1 4044759 [0,0,0,1,0,1|0,0,0]=2 137 B8R1.1 NCC1CCC(=O)N1 4110532 [0,0,0,1,0,1|2,0,0]=4 138 B8R1.1 NCC1CNC(=O)C1 4002894 [0,0,0,1,0,1|2,0,0]=4 139 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,0,0,1,0,1|2,0,0]=4 140 B8R1.1 O=C1CC(CO)CN1 4108826 [0,0,0,1,0,1|2,0,0]=4 141 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,0,0,1,0,1|2,0,0]=4 142 B8R1.1 O=C1CCC(CI)N1 4110716 [0,0,0,1,0,1|2,0,0]=4 143 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,1|1,0,0]=3 144 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,1|2,0,0]=4 145 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,1|2,0,0]=4 146 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,1|2,0,0]=4 147 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,0,0,1,0,1|0,0,2]=4 148 B8R1.34 O=C(O)CC1CCC1 4028895 [0,0,0,1,0,1|0,0,0]=2 149 B8R1.42 CC(=O)CC1(C)CC1 4002837 [0,0,0,1,0,1|1,0,0]=3 150 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.7 CC(=O)C1CCCC1 4031395 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.7 CC(=O)C1CCCO1 4075977 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.7 N=C(N)C1CCOC1 4108969 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.7 O=C(O)C1CCCS1 4045536 [0,1,0,1,0,0|0,0,0]=2 162 B8R1.19 CC1(C)CCNC1=O 4035085 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,1,0,1,0,0|0,0,0]=2 164 B8R1.23 O=C1CC(C(=O)O)C1 4036673 [0,1,0,1,0,0|0,0,1]=3 165 B8R1.78 CC1(C(=O)O)CNC1 4067484 [0,1,0,1,0,0|0,0,0]=2 166 B8R1.11 CCC1CCNC1=O 4035898 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.38 NNC(=O)C1CCC1 4032586 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.50 CC1=NNC(=O)C1C 4042832 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.50 CN1CCC(Br)C1=O 4045629 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.50 CN1CCC(N)C1=O 4019955 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.63 NC(=O)C1(CO)CC1 4029970 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.63 NCC1(C(=O)O)CC1 4020274 [0,1,0,1,0,0|0,0,0]=2 173 B8R1.63 O=C(O)C1(CO)CC1 4031220 [0,1,0,1,0,0|0,0,0]=2 174 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,1,0,1,0,0|0,0,0]=2 175 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,0,0,0,0,2|1,0,1]=4 176 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,0,0,0,0,2|1,0,0]=3 177 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,0,0,0,0,2|1,0,0]=3 178 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,0,0,0,0,2|2,0,0]=4