0 B7R0.4 C=C(C)CCCCC 5698AL [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 C=CCCCB(O)O X0893 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 C=CCCOC(C)=O 3121AL [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C=CCSCC(=O)O 6981AD [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CC(=O)CCCC#N 6789AL [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CC(=O)NCCCN V5818 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 CC(=O)NCCCN V6432 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 CC(=O)NCCCO 8280AC [0,0,0,0,0,0|3,0,0]=3 8 B7R0.4 CC(C)CCCCO 6988AE [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CC(O)CNCCO 7542AE [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CCCCCC(C)C 5733AL [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 CCCCCC(C)Cl 5577AL [0,0,0,0,0,0|2,0,1]=3 12 B7R0.4 CCCCNC(C)=O 7541AF [0,0,0,0,0,0|2,0,0]=2 13 B7R0.4 CCCCNC(C)C 2334AE [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CCCCOC(Cl)Cl 7617AL [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 CCOCCC(C)=O 6489AL [0,0,0,0,0,0|2,0,0]=2 16 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [0,0,0,0,0,0|2,0,2]=4 17 B7R0.4 CCSCCC(=O)O 8721AE [0,0,0,0,0,0|1,0,0]=1 18 B7R0.4 CN(C)CCCCN 1354AE [0,0,0,0,0,0|4,0,0]=4 19 B7R0.4 COCCN=C(N)N 8527AC [0,0,0,0,0,0|4,0,0]=4 20 B7R0.4 COCCNC(N)=O V4427 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 C#CCCC(=O)[O-] 4056AH [1,0,0,0,0,0|0,0,3]=4 22 B6R0.4 C=C(C)CCCC 5699AL [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CC(=O)CCCBr W5938 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CC(=O)NCCCl W8163 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CC(=O)OCCCl 7237AF [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CC(=O)SCCN 5884AD [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCCC(=O)Br 7391AF [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 CCCCC(C)Br 5535AL [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CCCCC(C)C 5734AL [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CCCCC(C)Cl 5578AL [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCCC(C)N 7573AF [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCCCC(C)O 9467AB [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CC\C=C\C(=O)O 6805AA [1,0,0,0,0,0|0,0,2]=3 36 B6R0.4 CSCCC(=O)Cl 6126AL [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 O=C(O)C#CCO 1204AC [1,0,0,0,0,0|1,0,2]=4 38 B6R0.6 C=CCCCC#N 6777AL [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C=CCCCCI 0232AQ [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 C=CCC\C=C\C 4658AL [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 C=CCSCCC R577 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.6 C=COCCCN 0206AC [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 CC#CCCCC 5638AL [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 CCCCCSC 7567AF [1,0,0,0,0,0|2,0,0]=3 45 B6R0.6 CCCCOCC 7302AL [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 CCCOCCC 7558AF [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 CCCSCCC 7569AF [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|0,0,3]=4 49 B6R0.6 CCOCCNC 5385AD [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 CNCCCOC V6596 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.6 COCCN=C=O 3069AE [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 C\C=C\SCCC U946 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 NCCSCCO 8189AD [1,0,0,0,0,0|2,0,1]=4 57 B8R0.5 C#CC[C@@H](N)CC(=O)O 3836AB [0,1,0,0,0,0|0,0,2]=3 58 B8R0.5 C#CC[C@H](N)CC(=O)O 3835AB [0,1,0,0,0,0|0,0,2]=3 59 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,1,0,0,0,0|2,0,0]=3 60 B8R0.5 C=CC[C@@H](N)CC(=O)O Z5979 [0,1,0,0,0,0|0,0,2]=3 61 B8R0.5 C=CC[C@H](N)CC(=O)O Z5808 [0,1,0,0,0,0|0,0,2]=3 62 B8R0.5 CCCC(C)CC(C)C 5321AL [0,1,0,0,0,0|2,0,1]=4 63 B8R0.5 CN(CCO)CC(=O)O 8726AD [0,1,0,0,0,0|2,0,0]=3 64 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [0,1,0,0,0,0|1,0,1]=3 65 B8R0.6 C=CC(=O)NCCCC 2114AB [0,1,0,0,0,0|2,0,0]=3 66 B8R0.6 C=CCCCC(=O)OC 6778AL [0,1,0,0,0,0|0,0,2]=3 67 B8R0.6 CCCCNC(=O)CCl W6790 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,0,0,0,0|2,0,0]=3 69 B8R0.6 CCCCNC(=S)NN 7591AE [0,1,0,0,0,0|2,1,0]=4 70 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,0,0,0,0|2,0,0]=3 71 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,0,0,0,0|2,0,0]=3 72 B8R0.6 CCNCCC(=O)OC 6995AJ [0,1,0,0,0,0|1,0,0]=2 73 B8R0.6 CCOCCC(=O)NN 2006AE [0,1,0,0,0,0|2,0,0]=3 74 B8R0.6 COC(=O)CCCCN 9801AB [0,1,0,0,0,0|1,0,0]=2 75 B8R0.6 COC(=O)CCN=C=O 4514AE [0,1,0,0,0,0|2,0,1]=4 76 B8R0.6 COCCNC(=O)CCl 0644AA [0,1,0,0,0,0|3,0,0]=4 77 B8R0.6 COCCNC(=O)CN 2350AD [0,1,0,0,0,0|3,0,0]=4 78 B8R0.6 NCC(=O)NCCCO 2231AD [0,1,0,0,0,0|3,0,0]=4 79 B8R0.6 NCCCC[C@H](N)CO 1979AA [0,1,0,0,0,0|2,0,1]=4 80 B8R0.7 C=C(C)CCCCCCl 6449AD [0,1,0,0,0,0|2,0,0]=3 81 B8R0.7 CCCCCC[C@H](C)O D263 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [0,1,0,0,0,0|1,0,1]=3 83 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,0,0,0,0|0,0,1]=2 84 B8R0.7 CCNCCCN(C)C 4992AJ [0,1,0,0,0,0|3,0,0]=4 85 B8R0.7 COCCCNC(N)=O 8899AC [0,1,0,0,0,0|2,0,0]=3 86 B8R0.7 N=C(N)NCCCCN X3130 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.7 NC(=O)CCCCCO 3555AJ [0,1,0,0,0,0|1,0,0]=2 88 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,1,0,0,0,0|1,0,1]=3 89 B8R0.8 CCCCC(C)C(C)C 5236AL [0,1,0,0,0,0|2,0,1]=4 90 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,1,0,0,0,0|1,0,0]=2 91 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,1,0,0,0,0|1,0,1]=3 92 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,1,0,0,0,0|1,0,0]=2 93 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,1,0,0,0,0|1,0,0]=2 94 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 8519AE [0,1,0,0,0,0|1,0,1]=3 95 B8R0.8 NOCC[C@@H](N)C(=O)O 5415AA [0,1,0,0,0,0|2,0,0]=3 96 B8R0.8 NOCC[C@H](N)C(=O)O 6738AB [0,1,0,0,0,0|2,0,0]=3 97 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,0,0,0,0|1,0,1]=3 98 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.9 CCC(=O)NCC(=O)O 7387AD [0,1,0,0,0,0|1,0,1]=3 100 B8R0.9 CCC(C)CCC(C)C 5380AL [0,1,0,0,0,0|2,0,1]=4 101 B8R0.9 CCC(C)CCC(C)O 6794AL [0,1,0,0,0,0|1,0,1]=3 102 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,1,0,0,0,0|2,0,0]=3 103 B8R0.9 CNC(=O)CCC(=O)O 5678AE [0,1,0,0,0,0|1,0,1]=3 104 B8R0.21 COCCCS(=O)(=O)O 5909AJ [0,1,0,0,0,0|2,0,0]=3 105 B8R0.28 CC(=O)CCCN(C)C Y9101 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,1,0,0,0,0|2,0,0]=3 107 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,1,0,0,0,0|2,0,0]=3 108 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,1,0,0,0,0|2,0,0]=3 109 B8R0.28 CN(C)C\C=C\C(=O)O 1119AQ [0,1,0,0,0,0|1,0,2]=4 110 B8R0.28 NC(=O)CCCC(=O)O 8447AD [0,1,0,0,0,0|1,0,1]=3 111 B8R0.28 NC(=O)COCC(=O)O 7538AD [0,1,0,0,0,0|2,0,1]=4 112 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.1 CCC1COC(=O)N1 5157AD [0,0,0,1,0,0|2,0,0]=3 114 B8R1.1 CCC1CSC(C)=N1 5718AL [0,0,0,1,0,0|3,0,0]=4 115 B8R1.1 NCC1CCC(=O)N1 X3339 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.1 O=C1CC(CO)CN1 7314AE [0,0,0,1,0,0|3,0,0]=4 117 B8R1.1 O=C1CCC(CO)C1 W1896 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.1 O=C1CCC(CO)N1 9405AB [0,0,0,1,0,0|2,0,0]=3 119 B8R1.1 O=C1NCC(CO)O1 V7609 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.1 OCC1CCC(O)C1 W1894 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 CC1CC(=O)CCN1 1072AC [0,0,0,1,0,0|2,0,0]=3 122 B8R1.4 CC1CC(O)CCN1 1810AJ [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,0,0,1,0,0|1,0,0]=2 124 B8R1.4 CC1CCCC(N)C1 V8849 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.4 CC1CCCC(N)C1 W7860 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.4 CC1CCOC(C)O1 5310AL [0,0,0,1,0,0|2,0,1]=4 127 B8R1.4 CC1COCC(=O)N1 V7159 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.4 CN1CCCC(=O)C1 9933AH [0,0,0,1,0,0|2,0,0]=3 129 B8R1.4 CN1CCCC(=O)C1 9934AH [0,0,0,1,0,0|2,0,0]=3 130 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [0,0,0,1,0,0|2,0,1]=4 132 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,0,0,1,0,0|2,0,0]=3 133 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [0,0,0,1,0,0|2,0,1]=4 134 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,0,0,1,0,0|2,0,0]=3 135 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 C[C@H]1CNC[C@H](C)O1 8589AH [0,0,0,1,0,0|2,0,1]=4 137 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.4 NC1CCNC(=O)C1 X9664 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,0,0,1,0,0|2,0,1]=4 140 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.7 CC(=O)N1CCCC1 4743AL [0,0,0,1,0,0|2,0,0]=3 142 B8R1.7 CC(N)C1CCCC1 9818AH [0,0,0,1,0,0|2,0,1]=4 143 B8R1.7 N=C(N)N1CCCC1 6760AA [0,0,0,1,0,0|3,0,0]=4 144 B8R1.7 NC(=O)C1CCNC1 Z4774 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [0,0,0,1,0,0|2,0,0]=3 147 B8R1.7 NC(=S)N1CCCC1 V5782 [0,0,0,1,0,0|2,1,0]=4 148 B8R1.7 O=C(O)C1=COCC1 W9830 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,0,0,1,0,0|1,0,2]=4 150 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,0,0,1,0,0|1,0,0]=2 151 B8R1.7 O=C(O)[C@@H]1CCOC1 W7757 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.22 BrC1=CCCCCC1 V3936 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.22 ClC1CCCCCC1 1856AB [0,0,0,1,0,0|2,0,1]=4 155 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,1,0,0|2,0,0]=3 156 B8R1.22 O=C1CCNCCN1 W5590 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.22 O=C1CCSCCN1 9235AD [0,0,0,1,0,0|2,0,0]=3 158 B8R1.22 OC1CCCNCC1 V5726 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.22 OC1CCCNCC1 X9141 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.34 CC(=O)OC1CNC1 9055AE [0,0,0,1,0,0|3,0,0]=4 161 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,0,0,1,0,0|0,0,2]=3 162 B8R1.34 O=C(O)CC1CNC1 1241AJ [0,0,0,1,0,0|1,0,0]=2 163 B8R1.35 N=C(N)SCC1CC1 3978AJ [0,0,0,1,0,0|3,0,0]=4 164 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,0,0,1,0,0|0,0,2]=3 165 B8R1.72 CC1(N)CCCCC1 X6756 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.72 N=S1(=O)CCOCC1 X2152 [0,0,0,1,0,0|3,0,0]=4 167 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 NC(=O)CCO 8063AJ [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 O=C(O)CCF 6350AB [2,0,0,0,0,0|1,0,0]=3 170 B5R0.2 C=CCCCN 7616AH [2,0,0,0,0,0|1,0,1]=4 171 B5R0.2 C=CCOCC 5601AE [2,0,0,0,0,0|1,0,1]=4 172 B5R0.2 CC#CCCO 6150AL [2,0,0,0,0,0|0,0,2]=4 173 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|1,0,1]=4 174 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,1]=4 175 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|1,0,1]=4 176 B5R0.2 CCCOCCl 4494AB [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|1,0,1]=4 178 B5R0.2 CCC\C=N\O 7272AF [2,0,0,0,0,0|1,0,1]=4 179 B5R0.2 CCOCCN 3903AD [2,0,0,0,0,0|2,0,0]=4 180 B5R0.2 COCCCI 9890AH [2,0,0,0,0,0|2,0,0]=4 181 B7R0.2 C=C(C)CC(C)CC 5312AL [1,1,0,0,0,0|2,0,0]=4 182 B7R0.2 C=CC(C)CC(=O)O 9796AA [1,1,0,0,0,0|0,0,2]=4 183 B7R0.2 CCC(N)CC(=O)O 2363AL [1,1,0,0,0,0|0,0,0]=2 184 B7R0.2 CCN(C)CC(C)=O 9608AC [1,1,0,0,0,0|2,0,0]=4 185 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [1,1,0,0,0,0|0,0,0]=2 186 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [1,1,0,0,0,0|0,0,0]=2 187 B7R0.2 CNC(=O)CC(=O)O 3048AE [1,1,0,0,0,0|1,0,1]=4 188 B7R0.2 COC(C)CC(=O)O 0132AA [1,1,0,0,0,0|1,0,0]=3 189 B7R0.2 NCC(N)CC(=O)O 5843AA [1,1,0,0,0,0|1,0,0]=3 190 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|2,0,0]=4 191 B7R0.3 C=CC(=O)NCCC 3769AL [1,1,0,0,0,0|2,0,0]=4 192 B7R0.3 C=CCCC(=O)OC 0026AQ [1,1,0,0,0,0|0,0,2]=4 193 B7R0.3 CCCCC(O)CC 8762AB [1,1,0,0,0,0|1,0,1]=4 194 B7R0.3 CCCC[C@H](N)CO 7337AH [1,1,0,0,0,0|1,0,1]=4 195 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|1,0,0]=3 196 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|1,0,0]=3 197 B7R0.3 CCOCC(=O)NN 2388AE [1,1,0,0,0,0|2,0,0]=4 198 B7R0.3 CNC(=O)CCCN 5583AD [1,1,0,0,0,0|2,0,0]=4 199 B7R0.3 CNCCC(=O)NC 4515AE [1,1,0,0,0,0|2,0,0]=4 200 B7R0.3 CNCCC(=O)NC 5845AE [1,1,0,0,0,0|2,0,0]=4 201 B7R0.3 CNCCC(=O)OC 1857AB [1,1,0,0,0,0|1,0,0]=3 202 B7R0.3 CNCCC(=O)OC X3419 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.3 COC(=N)CCCCl 2164AC [1,1,0,0,0,0|2,0,0]=4 204 B7R0.3 COC(=O)CCC=O W3030 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.3 COC(=O)CCCS X9990 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.3 COCC\C(N)=N/O 7855AE [1,1,0,0,0,0|2,0,0]=4 207 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|0,0,2]=4 208 B7R0.5 C=CCC(N)C(=O)O 7090AA [1,1,0,0,0,0|0,0,2]=4 209 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.5 CCNC(C)C(N)=O 7697AD [1,1,0,0,0,0|2,0,0]=4 211 B7R0.5 CCSC(C)C(=O)O 6924AD [1,1,0,0,0,0|1,0,0]=3 212 B7R0.5 COCC(Cl)C(=O)O 2065AB [1,1,0,0,0,0|1,0,0]=3 213 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.5 NC(CCBr)C(=O)O 1883AC [1,1,0,0,0,0|1,0,0]=3 215 B7R0.5 NCCC(N)C(=O)O W7673 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [1,1,0,0,0,0|1,0,0]=3 218 B7R0.6 C=C(C)CCC(C)C 5371AL [1,1,0,0,0,0|2,0,0]=4 219 B7R0.6 CC(=O)CCN(C)C 8474AD [1,1,0,0,0,0|2,0,0]=4 220 B7R0.6 CC(=O)SCC(=O)O Y7206 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [1,1,0,0,0,0|1,0,1]=4 222 B7R0.8 O=P(O)(O)CCCBr 4063AL [1,1,0,0,0,0|2,0,0]=4 223 B7R0.1 C#CCNCCCC 3830AE [1,1,0,0,0,0|1,0,1]=4 224 B7R0.1 C=CCCCCCCl 5718AC [1,1,0,0,0,0|1,0,0]=3 225 B7R0.1 C=CCOCCCC 7029AL [1,1,0,0,0,0|1,0,0]=3 226 B7R0.1 CCCCCC[Mg]Br 8700AJ [1,1,0,0,0,0|1,0,1]=4 227 B7R0.1 CCCCOCCCl 5574AL [1,1,0,0,0,0|1,0,1]=4 228 B7R0.1 CCCCOCCN 7133AE [1,1,0,0,0,0|1,0,1]=4 229 B7R0.1 CCCC\C=C\CO 9204AL [1,1,0,0,0,0|0,0,1]=3 230 B7R0.1 CC\C=C\CCCC 9221AL [1,1,0,0,0,0|1,0,1]=4 231 B7R0.1 C\C=C/CCCCC 7427AL [1,1,0,0,0,0|1,0,0]=3 232 B7R0.1 C\C=C\CCCCC 7960AF [1,1,0,0,0,0|1,0,0]=3 233 B7R0.1 O=CCCCCCCl Y9332 [1,1,0,0,0,0|0,0,0]=2 234 B7R0.1 OCCCNCCO 2316AL [1,1,0,0,0,0|1,0,1]=4 235 B7R0.7 CCCC(C)CCO 6091AL [1,1,0,0,0,0|0,0,1]=3 236 B7R0.7 CCC[C@H](N)CCO 0636AC [1,1,0,0,0,0|0,0,1]=3 237 B9R0.4 CCCCC(N)CC(=O)O 8056AC [0,2,0,0,0,0|0,0,0]=2 238 B9R0.4 COCCN(C)CC(=O)O 9512AL [0,2,0,0,0,0|1,0,0]=3 239 B9R0.6 CCOC(=O)C(C)C(=O)O 2263AJ [0,2,0,0,0,0|1,0,1]=4 240 B9R0.23 CCC(=O)N(C)CC(=O)O 3841AE [0,2,0,0,0,0|1,0,1]=4 241 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [0,2,0,0,0,0|0,0,0]=2 242 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,2,0,0,0,0|1,0,1]=4 243 B9R0.53 CC(=O)NC(C)CC(=O)O 4009AD [0,2,0,0,0,0|1,0,1]=4 244 B9R0.53 CC(=O)OC(C)CC(C)C 7965AF [0,2,0,0,0,0|2,0,0]=4 245 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,2,0,0,0,0|0,0,0]=2 246 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,2,0,0,0,0|0,0,0]=2 247 B9R0.1 C=CC(=O)OCCC(C)C O145 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.1 CC(O)CCNC(=O)CN 2340AD [0,2,0,0,0,0|2,0,0]=4 249 B9R0.1 COC(=O)CCC[N+](=O)[O-] Z9740 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.1 COC(=O)CCNC(C)=O 3347AB [0,2,0,0,0,0|1,0,1]=4 251 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,2,0,0,0,0|0,0,2]=4 252 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,2,0,0,0,0|0,0,2]=4 253 B9R0.5 CCCCNC(=O)CCN 2211AD [0,2,0,0,0,0|2,0,0]=4 254 B9R0.5 CCCCNC(=O)CNC 8713AD [0,2,0,0,0,0|2,0,0]=4 255 B9R0.5 CCCNCC(=O)OCC 0138AP [0,2,0,0,0,0|1,0,0]=3 256 B9R0.5 CCOC(=O)CNCCN V4614 [0,2,0,0,0,0|2,0,0]=4 257 B9R0.8 CCCCN(C)C(=O)CN 5553AD [0,2,0,0,0,0|2,0,0]=4 258 B9R0.46 C=CC(=O)NCCCOC 0540AQ [0,2,0,0,0,0|2,0,0]=4 259 B9R0.46 C=CCCCCC(=O)OC 0116AQ [0,2,0,0,0,0|0,0,1]=3 260 B9R0.46 CCCCCCC(C)C=O 2207AC [0,2,0,0,0,0|1,0,1]=4 261 B9R0.46 CCCCCC[C@H](O)CO N112 [0,2,0,0,0,0|0,0,2]=4 262 B9R0.46 CCCCCNC(=O)CCl 0195AE [0,2,0,0,0,0|1,0,0]=3 263 B9R0.46 CCCNCCC(=O)NC 7922AC [0,2,0,0,0,0|1,0,0]=3 264 B9R0.46 CCCNCCC(=O)OC 4406AE [0,2,0,0,0,0|0,0,0]=2 265 B9R0.46 COCCCNC(=O)CCl 5507AD [0,2,0,0,0,0|2,0,0]=4 266 B9R0.46 COCCCNC(=O)CN 1532AD [0,2,0,0,0,0|2,0,0]=4 267 B9R0.46 O=C(CBr)OCCCCBr V3894 [0,2,0,0,0,0|2,0,0]=4 268 B9R0.47 C#CCSC[C@H](N)C(=O)O 3656AB [0,2,0,0,0,0|0,0,2]=4 269 B9R0.47 C=CCSC[C@H](N)C(=O)O 8961AB [0,2,0,0,0,0|0,0,2]=4 270 B9R0.47 CCCCCC(O)C(C)C 5714AL [0,2,0,0,0,0|1,0,1]=4 271 B9R0.47 CCCCC[C@H](N)C(=O)O 6196AB [0,2,0,0,0,0|0,0,0]=2 272 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,2,0,0,0,0|2,0,0]=4 273 B9R0.47 CCSCCC(N)C(=O)O K104 [0,2,0,0,0,0|0,0,0]=2 274 B9R0.47 NCCSC[C@H](N)C(=O)O 7679AH [0,2,0,0,0,0|1,0,0]=3 275 B9R0.2 C=CCCCCCC(=O)O 6293AD [0,2,0,0,0,0|0,0,0]=2 276 B9R0.2 C=CCCCCOC(C)=O 6779AL [0,2,0,0,0,0|1,0,1]=4 277 B9R0.2 CC(=O)SCCCCC#N 1280AQ [0,2,0,0,0,0|1,0,1]=4 278 B9R0.2 COCCCCCC(=O)O 5735AB [0,2,0,0,0,0|0,0,0]=2 279 B9R0.2 COCCCCOC(C)=O 6564AL [0,2,0,0,0,0|1,0,0]=3 280 B9R0.2 NC(=O)CCNCCCO 7886AC [0,2,0,0,0,0|1,0,0]=3 281 B9R0.2 OB(O)CCCCCCBr X0530 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,2,0,0,0,0|1,0,0]=3 283 B9R0.55 CN(C)CCCCC(=O)O V8850 [0,2,0,0,0,0|0,0,0]=2 284 B9R0.55 NC(=O)NCCCC(=O)O 8592AD [0,2,0,0,0,0|1,0,1]=4 285 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 7119AH [0,2,0,0,0,0|1,0,1]=4 286 B9R0.7 CC(C)C(=O)NCC(=O)O 8005AA [0,2,0,0,0,0|1,0,1]=4 287 B9R0.7 CC(C)CC[C@H](N)C(=O)O 7177AH [0,2,0,0,0,0|0,0,0]=2 288 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,2,0,0,0,0|1,0,1]=4 289 B9R0.7 CC(C)N(C)CCC(=O)O 8219AD [0,2,0,0,0,0|1,0,0]=3 290 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 4199AL [0,2,0,0,0,0|1,0,1]=4 291 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 4125AL [0,2,0,0,0,0|1,0,1]=4 292 B9R0.7 C[S+](C)CCC(N)C(=O)O 7555AF [0,2,0,0,0,0|1,0,0]=3 293 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] 1871AB [0,2,0,0,0,0|1,0,1]=4 294 B9R0.13 CCCC[C@H](NC)C(=O)O 7564AH [0,2,0,0,0,0|0,0,0]=2 295 B9R0.42 CCC(=O)NC(C)C(=O)O 5709AE [0,2,0,0,0,0|1,0,1]=4 296 B9R0.42 CCN(C)CC(C)C(=O)O 0859AF [0,2,0,0,0,0|1,0,0]=3 297 B9R0.56 CS(=O)(=O)NCCC(=O)O 8235AC [0,2,0,0,0,0|2,0,0]=4 298 B9R0.56 O=C(O)CCCP(=O)(O)O 6674AL [0,2,0,0,0,0|2,0,0]=4 299 B7R1.2 CC1CCC(C)O1 Z5431 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.2 CC1CNC(=O)C1 X7991 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.2 CC1CNC(=O)O1 8398AC [1,0,0,1,0,0|1,0,0]=3 302 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,1,0,0|2,0,0]=4 303 B7R1.2 O=C1CCC(O)N1 W1140 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 BrC1=CCCCC1 Z0360 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 ON1CCCCC1 W6467 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.10 O=C1CC(CCl)C1 2253AL [1,0,0,1,0,0|2,0,0]=4 307 B7R1.10 O=C1CC(CO)C1 9616AA [1,0,0,1,0,0|2,0,0]=4 308 B7R1.18 N=C(N)C1CCC1 9638AJ [1,0,0,1,0,0|2,0,0]=4 309 B7R1.18 NC(=O)C1CCN1 Z9521 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.18 NC(=O)C1CNC1 1496AC [1,0,0,1,0,0|2,0,0]=4 311 B7R1.18 NC(=O)C1CNC1 Z4019 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.18 O=C(O)C1CCN1 0741AC [1,0,0,1,0,0|1,0,0]=3 313 B7R1.18 O=C(O)C1CCO1 3540AC [1,0,0,1,0,0|1,0,0]=3 314 B7R1.1 C=CC1CCCC1 9406AL [1,0,0,1,0,0|1,0,0]=3 315 B7R1.1 CCC1CCCC1 7901AL [1,0,0,1,0,0|1,0,1]=4 316 B7R1.1 CCC1CCCN1 7143AC [1,0,0,1,0,0|1,0,1]=4 317 B7R1.1 CCC1CCNC1 9496AE [1,0,0,1,0,0|2,0,0]=4 318 B7R1.1 NCC1CCCC1 3974AJ [1,0,0,1,0,0|1,0,1]=4 319 B7R1.1 NCC1CCCC1 3975AJ [1,0,0,1,0,0|1,0,1]=4 320 B7R1.1 NNC1CCCC1 9797AD [1,0,0,1,0,0|2,0,0]=4 321 B7R1.1 O=CN1CCCC1 0706AQ [1,0,0,1,0,0|1,0,0]=3 322 B7R1.1 OCC1CCNC1 W6601 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [1,0,0,1,0,0|2,0,0]=4 324 B7R1.4 NN1CCCC1=O 0452AB [1,0,0,1,0,0|2,0,0]=4 325 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [1,0,0,1,0,0|1,0,1]=4 326 B7R1.4 N[C@H]1CCNC1=O 8251AB [1,0,0,1,0,0|2,0,0]=4 327 B7R1.4 O=C1CCCC1Cl W7923 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.4 O=C1NCC[C@H]1O W8410 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [1,0,0,1,0,0|1,0,1]=4 330 B7R1.6 CNCC1CCC1 3149AD [1,0,0,1,0,0|2,0,0]=4 331 B7R1.6 O=CCC1CCC1 0019AC [1,0,0,1,0,0|0,0,0]=2 332 B7R1.6 OCCN1CCC1 0462AC [1,0,0,1,0,0|1,0,1]=4 333 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|1,0,0]=3 334 B9R1.7 COC[C@@H]1COC(=O)O1 4142AL [0,1,0,1,0,0|1,0,0]=3 335 B9R1.7 COC[C@H]1CNC(=O)O1 1743AB [0,1,0,1,0,0|1,0,0]=3 336 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [0,1,0,1,0,0|1,0,0]=3 337 B9R1.13 CC(=O)CC1C=CCC1 7924AF [0,1,0,1,0,0|1,0,1]=4 338 B9R1.13 CC(=O)OC1CCNC1 1432AD [0,1,0,1,0,0|2,0,0]=4 339 B9R1.13 NC(=S)NC1CCCC1 Z6563 [0,1,0,1,0,0|1,1,0]=4 340 B9R1.13 O=C(O)C=C1CCCC1 9908AA [0,1,0,1,0,0|0,0,1]=3 341 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,1,0,1,0,0|0,0,0]=2 342 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 2070AL [0,1,0,1,0,0|1,0,0]=3 343 B9R1.34 CC1CC(=O)CC(C)N1 1417AJ [0,1,0,1,0,0|2,0,0]=4 344 B9R1.34 CC1CC(O)CC(C)O1 0633AE [0,1,0,1,0,0|1,0,1]=4 345 B9R1.41 CN1CSCC1C(=O)O 6486AE [0,1,0,1,0,0|1,0,0]=3 346 B9R1.41 NC(=O)C1CCCC1=O 6858AE [0,1,0,1,0,0|1,0,1]=4 347 B9R1.41 O=C(O)C1CSCC1=O 3411AD [0,1,0,1,0,0|1,0,1]=4 348 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8555AH [0,1,0,1,0,0|1,0,0]=3 349 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8692AH [0,1,0,1,0,0|1,0,0]=3 350 B9R1.48 CC1CC(=O)NCCN1 Y4643 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.48 O=C1CCCNC(=O)C1 3822AJ [0,1,0,1,0,0|1,0,1]=4 352 B9R1.66 CC1(C)CC(=O)CCN1 1326AJ [0,1,0,1,0,0|2,0,0]=4 353 B9R1.66 CC1(C)COCC(=O)N1 Z9377 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.137 CC(=CC(=O)O)C1CC1 Y5784 [0,1,0,1,0,0|0,0,2]=4 355 B9R1.1 CCC1CCC(O)CC1 6248AB [0,1,0,1,0,0|1,0,1]=4 356 B9R1.1 CNC1CCC(=O)CC1 Y5985 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,1,0,1,0,0|2,0,0]=4 358 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,1,0,1,0,0|1,0,1]=4 359 B9R1.2 NCC1CCCC(=O)N1 3336AJ [0,1,0,1,0,0|1,0,0]=3 360 B9R1.2 O=C1CC(CO)CCN1 5141AE [0,1,0,1,0,0|2,0,0]=4 361 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,1,0,1,0,0|1,0,0]=3 362 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,1,0,1,0,0|1,0,0]=3 363 B9R1.5 CN1CCCNCC1=O 8136AE [0,1,0,1,0,0|2,0,0]=4 364 B9R1.5 CN1CCNCCC1=O 3751AB [0,1,0,1,0,0|2,0,0]=4 365 B9R1.5 CN1CCNCCC1=O 8863AA [0,1,0,1,0,0|2,0,0]=4 366 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,1,0,1,0,0|1,0,1]=4 367 B9R1.5 O=C1CCCCCC1Cl 5571AL [0,1,0,1,0,0|1,0,0]=3 368 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,1,0,1,0,0|1,0,0]=3 369 B9R1.11 CNC(=O)C1CCCN1 Y7477 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.11 CNC(=O)[C@@H]1CCCN1 8574AH [0,1,0,1,0,0|2,0,0]=4 371 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [0,1,0,1,0,0|1,0,0]=3 372 B9R1.11 NCC(=O)N1CCCC1 1553AE [0,1,0,1,0,0|2,0,0]=4 373 B9R1.11 NCC(=O)N1CCCC1 V4616 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.11 NNC(=O)C1CCCC1 0862AE [0,1,0,1,0,0|1,0,0]=3 375 B9R1.11 NNC(=O)C1CCOC1 8824AB [0,1,0,1,0,0|2,0,0]=4 376 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.79 COC(=O)CC1CNC1 4710AC [0,1,0,1,0,0|1,0,0]=3 378 B9R1.79 NCC(=O)NC1CCC1 4992AH [0,1,0,1,0,0|2,0,0]=4 379 B9R1.80 O=C(CCl)NCC1CC1 4816AE [0,1,0,1,0,0|2,0,0]=4 380 B9R1.89 ONC1=NCCCCC1 6477AD [0,1,0,1,0,0|1,0,0]=3 381 B9R1.118 CC1(C=O)CCCCC1 Y9621 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.118 NC1(CO)CCCCC1 3283AE [0,1,0,1,0,0|1,0,1]=4 383 B9R1.118 OCC1(F)CCCCC1 X9192 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.6 CC(=O)C1CCCCN1 Y5161 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,1,0,1,0,0|1,0,0]=3 387 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,1,0,1,0,0|1,0,0]=3 388 B9R1.6 CC(=O)C1CCNCC1 W5306 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.6 CC(O)C1CCNCC1 9889AB [0,1,0,1,0,0|1,0,1]=4 390 B9R1.6 N=C(N)C1CCCCC1 9640AJ [0,1,0,1,0,0|2,0,0]=4 391 B9R1.6 N=C(N)C1CCOCC1 Y9093 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.6 N=C(N)N1CCCCC1 2921AE [0,1,0,1,0,0|2,0,0]=4 393 B9R1.6 NC(=O)C1CC=CCC1 4123AE [0,1,0,1,0,0|1,0,1]=4 394 B9R1.6 NC(=O)C1CCCNC1 0236AF [0,1,0,1,0,0|1,0,0]=3 395 B9R1.6 NC(=O)C1CCCOC1 6295AD [0,1,0,1,0,0|1,0,0]=3 396 B9R1.6 NC(=O)C1CNCCO1 Z7921 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.6 NC(=O)C1CSCCN1 0892AA [0,1,0,1,0,0|2,0,0]=4 398 B9R1.6 NC(=O)N1CCNCC1 5669AE [0,1,0,1,0,0|2,0,0]=4 399 B9R1.6 NC(=S)C1CCOCC1 Y4542 [0,1,0,1,0,0|1,1,0]=4 400 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [0,1,0,1,0,0|1,0,0]=3 401 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,1,0,1,0,0|0,0,2]=4 402 B9R1.6 O=C(O)C1CCCNC1 8993AB [0,1,0,1,0,0|0,0,0]=2 403 B9R1.6 O=C(O)C1CCSCN1 6491AE [0,1,0,1,0,0|1,0,0]=3 404 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.6 O=C(O)C1COCCN1 W7764 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,1,0,1,0,0|1,0,0]=3 408 B9R1.6 OB(O)C1CCOCC1 1535AA [0,1,0,1,0,0|1,0,1]=4 409 B9R1.83 CCCCCCC1CO1 4467AL [0,1,0,1,0,0|1,0,1]=4 410 B9R1.84 O=[N+]([O-])CCC1CCC1 0886AA [0,1,0,1,0,0|1,0,1]=4 411 B9R1.35 CC1NC(C(=O)O)CS1 2967AE [0,1,0,1,0,0|1,0,0]=3 412 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,1,0,1,0,0|1,0,0]=3 413 B9R1.35 NC(=O)C1CC(F)CN1 5868AC [0,1,0,1,0,0|2,0,0]=4 414 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 3174AC [0,1,0,1,0,0|2,0,0]=4 415 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 4732AJ [0,1,0,1,0,0|2,0,0]=4 416 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 1629AC [0,1,0,1,0,0|2,0,0]=4 417 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 5891AB [0,1,0,1,0,0|2,0,0]=4 418 B9R1.35 NC1CNC(C(=O)O)C1 Y7723 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Y6706 [0,1,0,1,0,0|0,0,2]=4 420 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Y6730 [0,1,0,1,0,0|0,0,0]=2 421 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 W4980 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 0632AA [0,1,0,1,0,0|0,0,2]=4 423 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [0,1,0,1,0,0|0,0,0]=2 424 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Z5831 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Y8727 [0,1,0,1,0,0|0,0,1]=3 427 B9R1.35 O=C1CC[C@H](C(=O)O)C1 V2781 [0,1,0,1,0,0|0,0,1]=3 428 B9R1.35 O=C1CNC(C(=O)O)C1 0294AB [0,1,0,1,0,0|1,0,1]=4 429 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,1,0,1,0,0|1,0,0]=3 430 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,1,0,0|1,0,0]=3 431 B9R1.95 COC1CC(C(=O)O)C1 6586AB [0,1,0,1,0,0|1,0,0]=3 432 B9R1.110 NC(C(=O)O)C1CCC1 X5232 [0,1,0,1,0,0|0,0,0]=2 433 B9R1.110 N[C@@H](C(=O)O)C1CCC1 X5301 [0,1,0,1,0,0|0,0,0]=2 434 B9R1.163 CC1(C(=O)O)CCCN1 6631AH [0,1,0,1,0,0|1,0,0]=3 435 B9R1.163 NC(=O)C1(N)CCCC1 W3743 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.163 NC1(C(=O)O)CCNC1 Z2697 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.163 NC1(C(=O)O)CCSC1 2158AJ [0,1,0,1,0,0|1,0,0]=3 438 B9R1.163 O=C(O)C1(O)CCCC1 Z4267 [0,1,0,1,0,0|0,0,0]=2 439 B9R1.10 CC1(O)CCC(N)CC1 2613AJ [0,1,0,1,0,0|1,0,1]=4 440 B9R1.10 NC1CCS(=O)(=O)CC1 0746AB [0,1,0,1,0,0|1,0,1]=4 441 B9R1.114 O=S(=O)(Cl)CC1CCC1 4196AA [0,1,0,1,0,0|1,0,1]=4 442 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O 7217AA [0,1,0,1,0,0|1,0,1]=4 443 B9R2.39 BrC1=CC2CCC1C2 V7347 [0,0,0,2,0,0|2,0,0]=4 444 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 W8358 [0,0,0,2,0,0|1,0,0]=3 445 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,2,0,0|1,0,0]=3 446 B9R2.7 [C@H]12CCC[C@H]1NC2=O 6574AJ [0,0,0,2,0,0|1,0,0]=3 447 B9R2.138 O=C1CC2(CCC2)C1 4503AJ [0,0,0,2,0,0|1,0,0]=3 448 B9R2.6 CC12CCCCC1O2 4898AL [0,0,0,2,0,0|1,0,1]=4 449 B9R2.52 C1CCC2OC2CC1 0011AQ [0,0,0,2,0,0|1,0,1]=4 450 B9R2.143 O=C(O)C1CC12CC2 8844AA [0,0,0,2,0,0|0,0,0]=2 451 B9R2.174 C1CCC2(CC1)CO2 V3970 [0,0,0,2,0,0|1,0,1]=4