0 B7R0.4 C=C(C)CCCCC 5698AL [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C=CCCOC(C)=O 3121AL [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CC(=O)NCCCN V6432 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CC(=O)NCCCO 8280AC [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CCCCCC(C)C 5733AL [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CCCCCC(C)Cl 5577AL [0,0,0,0,0,0|1,0,3]=4 6 B7R0.4 CCCCNC(C)C 2334AE [0,0,0,0,0,0|2,0,2]=4 7 B7R0.4 CCCSCC(=O)O 6980AD [0,0,0,0,0,0|2,0,1]=3 8 B7R0.4 CCOCCC(C)=O 6489AL [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 CC\C=C\CC(=O)O 7477AF [0,0,0,0,0,0|1,0,2]=3 11 B7R0.4 CNCCCC(=O)O 2115AA [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 COCC#CC(=O)O 2855AJ [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 NC(=O)CSCCO 6778AD [0,0,0,0,0,0|3,0,1]=4 14 B6R0.4 C#CCNC(C)=O 3665AL [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 C=C(C)CCCC 5699AL [1,0,0,0,0,0|1,0,1]=3 16 B6R0.4 C=C(C)CCCO 2774AL [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 CC(=O)NCCCl W8163 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CC(=O)OCCCl 7237AF [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CC(=O)SCC#N 6370AE [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CC(=O)SCCN 5884AD [1,0,0,0,0,0|2,0,0]=3 22 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CCCCC(=O)Br 7391AF [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CCCCC(C)C 5734AL [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 CCCCC(C)Cl 5578AL [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 CCCCC(C)O 9467AB [1,0,0,0,0,0|0,0,3]=4 27 B6R0.4 CCCNC(C)C 7560AH [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCNC(N)=S 3447AF [1,0,0,0,0,0|2,1,0]=4 29 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CNCCC(=O)O 5026AF [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 COCCC(C)=O B939 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 FC(F)=CCCBr 4541AD [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 NC(=O)CCCCl Y1653 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 NC(=O)NCCCl 5576AL [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 NC(=O)OCCCl 7044AF [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 O=C(O)CCCS 7264AF [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C=CCC\C=C\C 4658AL [1,0,0,0,0,0|0,0,3]=4 40 B6R0.6 C=CCSCCC R577 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CC#CCCCC 5638AL [1,0,0,0,0,0|0,0,3]=4 42 B6R0.6 CCCCCSC 7567AF [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 CCCCOCC 7302AL [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 CCCOCCC 7558AF [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CCCSCCC 7569AF [1,0,0,0,0,0|1,0,2]=4 46 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|0,0,2]=3 47 B6R0.6 CC\C=C\CCC 9219AL [1,0,0,0,0,0|0,0,1]=2 48 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|0,0,1]=2 49 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|0,0,1]=2 51 B6R0.6 C\C=C\SCCC U946 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.6 O=CCCCCO Z3600 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,1,0,0,0,0|1,0,2]=4 54 B8R0.5 CCCC(=O)NC(C)C 4245AA [0,1,0,0,0,0|2,0,1]=4 55 B8R0.5 COCC(=O)CC(C)=O W7487 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,0,0,0,0|1,0,1]=3 57 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,0,0,0,0|1,0,1]=3 58 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,0,0,0,0|1,0,1]=3 59 B8R0.6 COC(=O)CCCCN 9801AB [0,1,0,0,0,0|1,0,2]=4 60 B8R0.6 COC(=O)CCCCO Z9406 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.6 COCCNC(=O)CN 2350AD [0,1,0,0,0,0|2,0,1]=4 62 B8R0.6 NCC(=O)NCCCO 2231AD [0,1,0,0,0,0|2,0,1]=4 63 B8R0.7 C=C(C)CCCCCCl 6449AD [0,1,0,0,0,0|1,0,2]=4 64 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,0,0,0,0|1,0,0]=2 65 B8R0.7 NC(=O)CCCCCO 3555AJ [0,1,0,0,0,0|1,0,2]=4 66 B8R0.7 NCCCNCC(=O)O 8332AL [0,1,0,0,0,0|2,0,1]=4 67 B8R0.7 O=C([O-])CCCCCO 0762AP [0,1,0,0,0,0|1,0,2]=4 68 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,0,0,0,0|1,0,2]=4 69 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,1,0,0,0,0|0,0,2]=3 70 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,1,0,0,0,0|1,0,2]=4 71 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,1,0,0,0,0|2,0,0]=3 72 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,0,0,0,0|1,0,2]=4 73 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,0,0,0,0|0,0,3]=4 74 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.9 COC(=O)\C=C/C(=O)O F587 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,1,0,0,0,0|1,0,1]=3 77 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,1,0,0,0,0|1,0,2]=4 78 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [0,1,0,0,0,0|1,0,1]=3 79 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,0,0,1,0,0|1,1,1]=4 80 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,0,0,1,0,0|1,1,1]=4 81 B8R1.1 CC1=CC=C(CN)S1 Z2080 [0,0,0,1,0,0|1,1,1]=4 82 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,0,0,1,0,0|1,1,1]=4 83 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,0,0,1,0,0|0,0,2]=3 84 B8R1.1 CCC1CSC(C)=N1 5718AL [0,0,0,1,0,0|2,0,1]=4 85 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 CCN1C=C[N+](C)=C1 4849AL [0,0,0,1,0,0|3,0,0]=4 87 B8R1.1 CCN1C=C[N+](C)=C1 4850AL [0,0,0,1,0,0|3,0,0]=4 88 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 2847AB [0,0,0,1,0,0|2,0,1]=4 89 B8R1.1 O=C1CC(CO)CN1 7314AE [0,0,0,1,0,0|2,0,1]=4 90 B8R1.1 O=C1CCC(CO)C1 W1896 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.4 CC1CC(=O)CCN1 1072AC [0,0,0,1,0,0|1,0,2]=4 92 B8R1.4 CC1CC(=O)CCN1 6568AA [0,0,0,1,0,0|1,0,2]=4 93 B8R1.4 CC1CNCC(=O)N1 3610AJ [0,0,0,1,0,0|2,0,1]=4 94 B8R1.4 CC1COCC(=O)N1 V7159 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,0,0,1,0,0|2,0,1]=4 96 B8R1.4 CN1CCCC(=O)C1 9933AH [0,0,0,1,0,0|1,0,2]=4 97 B8R1.4 CN1CCCC(=O)C1 9934AH [0,0,0,1,0,0|1,0,2]=4 98 B8R1.4 CN1CCCC(=O)C1 W6919 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,0,0,1,0,0|2,0,1]=4 100 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.7 CC(=O)C1=CN=NS1 X9965 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,0,0,1,0,0|1,0,2]=4 103 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.7 NC(=O)C1CCCN1 Y8548 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,0,0,1,0,0|2,0,1]=4 106 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,1,0,0|1,0,1]=3 107 B8R1.22 O=C1CCCNCC1 X2001 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.22 O=C1CCNCCN1 W5590 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|2,0,1]=4 110 B8R1.22 O=C1CCSCCN1 9235AD [0,0,0,1,0,0|2,0,1]=4 111 B8R1.22 O=C1CNCCCN1 5019AJ [0,0,0,1,0,0|2,0,1]=4 112 B8R1.34 CC(=O)CC1COC1 0990AD [0,0,0,1,0,0|1,0,2]=4 113 B8R1.34 CC(=O)OC1CNC1 9055AE [0,0,0,1,0,0|2,0,1]=4 114 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,0,0,1,0,0|1,0,0]=2 115 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,0,0,1,0,0|1,0,2]=4 116 B8R1.35 O=C(O)CNC1CC1 0701AA [0,0,0,1,0,0|2,0,1]=4 117 B8R1.35 OB(O)\C=C\C1CC1 V8900 [0,0,0,1,0,0|2,0,1]=4 118 B5R0.1 C=C(C)CCBr Z4377 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 CC(C)=CCCl 7671AJ [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|1,0,0]=3 121 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CS(=O)CCN 4290AE [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 C\C(Cl)=C/CCl 4550AL [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 C\C(Cl)=C\CN 9653AD [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 C\C(Cl)=C\CO X6578 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 C\C=C\C(C)C 7501AF [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 O=C(O)CCF 6350AB [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 O=C(O)\C=C/Br V3608 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 O=C(O)\C=C/I 9333AB [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 O=C(O)\C=C\I V7047 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.2 C=CCCCN 7616AH [2,0,0,0,0,0|1,0,1]=4 133 B5R0.2 C=CCOCC 5601AE [2,0,0,0,0,0|1,0,1]=4 134 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|1,0,1]=4 135 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,1]=4 136 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|1,0,1]=4 137 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.2 CC\C=C\C#N 5776AL [2,0,0,0,0,0|1,0,1]=4 139 B7R0.2 C=C(C)CC(C)CC 5312AL [1,1,0,0,0,0|1,0,1]=4 140 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [1,1,0,0,0,0|2,0,0]=4 141 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.2 CCC(N)CC(=O)O W4035 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.2 CCN(C)CC(C)=O 9608AC [1,1,0,0,0,0|1,0,1]=4 145 B7R0.2 CNC(=O)NC(C)=O 7251AF [1,1,0,0,0,0|2,0,0]=4 146 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [1,1,0,0,0,0|1,0,0]=3 147 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|1,0,1]=4 148 B7R0.3 CCC(=O)NCCN 3366AF [1,1,0,0,0,0|2,0,0]=4 149 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|1,0,0]=3 151 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|1,0,1]=4 152 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|1,0,1]=4 153 B7R0.3 CNCCC(=O)NC 5845AE [1,1,0,0,0,0|1,0,1]=4 154 B7R0.3 COC(=O)CCCS X9990 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|0,0,2]=4 156 B7R0.3 NCC(=O)NCCO 0947AF [1,1,0,0,0,0|2,0,0]=4 157 B7R0.5 CCCC(=O)C(=O)O 5775AL [1,1,0,0,0,0|1,0,0]=3 158 B7R0.5 CCCC(=O)C(C)C 5712AL [1,1,0,0,0,0|1,0,1]=4 159 B7R0.6 C=C(C)CCC(C)C 5371AL [1,1,0,0,0,0|1,0,1]=4 160 B7R0.6 CC(=O)CCN(C)C 8474AD [1,1,0,0,0,0|1,0,1]=4 161 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.6 CC(C)CCC(=O)O 9893AB [1,1,0,0,0,0|1,0,1]=4 163 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 2447AL [1,1,0,0,0,0|2,0,0]=4 164 B7R0.1 CCCC\C=C\CO 9204AL [1,1,0,0,0,0|0,0,1]=3 165 B7R0.1 CC\C=C\CCCC 9221AL [1,1,0,0,0,0|0,0,1]=3 166 B7R0.1 C\C=C/CCCCC 7427AL [1,1,0,0,0,0|0,0,1]=3 167 B7R0.1 C\C=C\CCCCC 7960AF [1,1,0,0,0,0|0,0,1]=3 168 B7R0.1 O=CCCCCCCl Y9332 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.1 OCC\C=C\CCO 0001AQ [1,1,0,0,0,0|1,0,1]=4 170 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,1,0,0,0,0|2,0,0]=4 171 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,1,0,0,0,0|2,0,0]=4 172 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|1,0,1]=4 173 B9R0.4 CCCOC(=O)\C=C(\C)N 2141AJ [0,2,0,0,0,0|1,0,0]=3 174 B9R0.6 C=C(C)C(=O)C(=O)OCC 6740AJ [0,2,0,0,0,0|2,0,0]=4 175 B9R0.23 CCC(C)C(=N)CC(C)=O Y2757 [0,2,0,0,0,0|0,0,1]=3 176 B9R0.34 CCOC(=O)CC(=O)CBr S244 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.34 CCOC(=O)\C=C(/C)C=O 0167AQ [0,2,0,0,0,0|1,0,0]=3 178 B9R0.53 CC(=O)CC(C)CC(C)C 0099AB [0,2,0,0,0,0|0,0,2]=4 179 B9R0.1 CC(O)CCNC(=O)CN 2340AD [0,2,0,0,0,0|1,0,1]=4 180 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,2,0,0,0,0|0,0,2]=4 181 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,2,0,0,0,0|0,0,0]=2 182 B9R0.5 CCCCNC(=O)CCN 2211AD [0,2,0,0,0,0|1,0,1]=4 183 B9R0.5 CCCCNC(=O)CNC 8713AD [0,2,0,0,0,0|1,0,1]=4 184 B9R0.5 CCCNCC(=O)OCC 0138AP [0,2,0,0,0,0|1,0,1]=4 185 B9R0.8 CCCCN(C)C(=O)CN 5553AD [0,2,0,0,0,0|1,0,1]=4 186 B9R0.46 CCCCCNC(=O)CCl 0195AE [0,2,0,0,0,0|0,0,2]=4 187 B9R0.46 CCCNCCC(=O)NC 7922AC [0,2,0,0,0,0|0,0,2]=4 188 B9R0.46 CCCNCCC(=O)OC 4406AE [0,2,0,0,0,0|0,0,2]=4 189 B9R0.46 COCCCNC(=O)CN 1532AD [0,2,0,0,0,0|1,0,1]=4 190 B9R0.46 O=C(CBr)OCCCCBr V3894 [0,2,0,0,0,0|1,0,1]=4 191 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,2,0,0,0,0|1,0,1]=4 192 B9R0.2 C=CCCCCOC(C)=O 6779AL [0,2,0,0,0,0|1,0,1]=4 193 B9R0.2 CC(=O)NCCCCCN 8354AL [0,2,0,0,0,0|0,0,2]=4 194 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [0,2,0,0,0,0|1,0,0]=3 195 B9R0.2 COCCCCOC(C)=O 6564AL [0,2,0,0,0,0|0,0,2]=4 196 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,2,0,0,0,0|0,0,2]=4 197 B9R0.55 CC(=O)CCOCC(C)C 6549AL [0,2,0,0,0,0|0,0,2]=4 198 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,2,0,0,0,0|2,0,0]=4 199 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,2,0,0,0,0|2,0,0]=4 200 B9R0.43 CCC(COC(C)=O)OC 5685AL [0,2,0,0,0,0|1,0,1]=4 201 B7R1.2 CN1CCC(=O)C1 B871 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.2 C[C@@H]1COC(=O)O1 P610 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.2 NC1CNC(=O)C1 4028AC [1,0,0,1,0,0|2,0,0]=4 204 B7R1.2 O=C1C=CC(O)O1 2926AL [1,0,0,1,0,0|2,0,0]=4 205 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,1,0,0|1,0,1]=4 206 B7R1.3 CC1=CCCNC1 V9748 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 CC1C=CCCC1 6090AL [1,0,0,1,0,0|1,0,1]=4 208 B7R1.3 ClC1=CCCCC1 5746AC [1,0,0,1,0,0|1,0,0]=3 209 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.3 O=C1C=CCOC1 6867AC [1,0,0,1,0,0|1,0,0]=3 211 B7R1.3 O=C1NCCCO1 V6397 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [1,0,0,1,0,0|1,0,1]=4 213 B7R1.18 CC(=O)N1C=CC1 6529AA [1,0,0,1,0,0|1,0,1]=4 214 B7R1.18 NC(=O)C1CCC1 F371 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.20 CC(=O)CC1CC1 5730AB [1,0,0,1,0,0|0,0,1]=3 216 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,1,0,0|1,0,0]=3 217 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.4 CN1SC=CC1=O P432 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.6 O=CC=C1COC1 5578AC [1,0,0,1,0,0|1,0,0]=3 220 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|0,0,1]=3 221 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,1,0,1,0,0|0,1,1]=4 222 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,1,0,1,0,0|0,1,1]=4 223 B9R1.7 CC1=CN=C(CCN)N1 2107AF [0,1,0,1,0,0|2,0,0]=4 224 B9R1.7 CC1=CNC(CCN)=N1 4655AC [0,1,0,1,0,0|2,0,0]=4 225 B9R1.7 CC1=NC(CCN)=CS1 5300AD [0,1,0,1,0,0|2,0,0]=4 226 B9R1.7 CCCC1=NC(C)=CN1 4781AB [0,1,0,1,0,0|1,0,0]=3 227 B9R1.7 CCCC1CNC(=O)C1 2594AF [0,1,0,1,0,0|0,0,2]=4 228 B9R1.7 CCCN1C=CC(I)=N1 Z9713 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.7 CCCN1C=CC(N)=N1 4368AF [0,1,0,1,0,0|2,0,0]=4 230 B9R1.7 CNCC1=CC(C)=NN1 2949AD [0,1,0,1,0,0|2,0,0]=4 231 B9R1.7 CNCC1=CC=C(C)S1 5250AC [0,1,0,1,0,0|0,1,1]=4 232 B9R1.7 CNCC1=CSC(C)=N1 Y7538 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.13 CC(=O)N[C@H]1CCNC1 X9087 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.13 CC(=O)N[C@H]1CCNC1 X9602 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.13 CC(=O)OC1CCNC1 1432AD [0,1,0,1,0,0|1,0,1]=4 236 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [0,1,0,1,0,0|1,0,1]=4 238 B9R1.41 CC(=O)C1=C(C)NN=C1 4180AF [0,1,0,1,0,0|1,0,1]=4 239 B9R1.41 CC(=O)C1=C(C)ON=C1 7411AE [0,1,0,1,0,0|1,0,1]=4 240 B9R1.41 CC(=O)N1CCSC1=S 5981AL [0,1,0,1,0,0|2,0,0]=4 241 B9R1.41 NC(=O)C1CCCC1=O 6858AE [0,1,0,1,0,0|1,0,1]=4 242 B9R1.48 CC1CC(=O)NCCN1 Y4643 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,1,0,0|1,0,1]=4 244 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,1,0,0|0,0,2]=4 245 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,1,0,0|1,0,1]=4 246 B9R1.2 COC1CCCC(=O)C1 2324AJ [0,1,0,1,0,0|0,0,2]=4 247 B9R1.2 O=C1CC(CO)CCN1 5141AE [0,1,0,1,0,0|1,0,1]=4 248 B9R1.2 O=C1CCCC(CO)C1 3736AB [0,1,0,1,0,0|0,0,2]=4 249 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,1,0,1,0,0|0,0,2]=4 250 B9R1.11 COC(=O)C1CCCC1 6360AB [0,1,0,1,0,0|0,0,2]=4 251 B9R1.11 COC(=O)C1CCCN1 7330AB [0,1,0,1,0,0|1,0,1]=4 252 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,1,0,1,0,0|0,0,2]=4 253 B9R1.21 CCN1C=CC(CN)=N1 4395AF [0,1,0,1,0,0|2,0,0]=4 254 B9R1.79 NCC(=O)NC1CCC1 4992AH [0,1,0,1,0,0|1,0,1]=4 255 B9R1.80 O=C(CCl)NCC1CC1 4816AE [0,1,0,1,0,0|1,0,1]=4 256 B9R1.6 CC(=O)C1=CSCCN1 8361AA [0,1,0,1,0,0|1,0,0]=3 257 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,1,0,1,0,0|0,0,2]=4 258 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,1,0,1,0,0|0,0,2]=4 259 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,1,0,1,0,0|0,0,2]=4 260 B9R1.6 NC(=O)C1=CNCCC1 8430AE [0,1,0,1,0,0|1,0,0]=3 261 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,1,0,1,0,0|1,0,0]=3 262 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.84 O=C(O)\C=C\C1CCC1 0196AP [0,1,0,1,0,0|1,0,0]=3 264 B9R1.35 CC(=O)C1=NN(C)C=C1 2329AL [0,1,0,1,0,0|1,0,1]=4 265 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.35 CC1=CC=C(C(C)N)O1 7302AE [0,1,0,1,0,0|0,0,2]=4 267 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,1,0,1,0,0|0,0,2]=4 269 B9R1.69 CC1CCC(=O)CC1C 2294AL [0,1,0,1,0,0|0,0,2]=4 270 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,1,0,0|0,0,2]=4 271 B9R2.39 O=C1CC2CCC1C2 B806 [0,0,0,2,0,0|0,0,2]=4 272 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,2,0,0|0,0,2]=4 273 B9R2.7 [C@H]12CCC[C@H]1NC2=O 6574AJ [0,0,0,2,0,0|1,0,1]=4