0 B5R0.2 C#CCCC#C X3713 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C#CCCCBr 9466AL [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C#CCCCI 0230AQ [0,0,0,0,0,0|1,0,3]=4 3 B5R0.2 C=CCCCN 7616AH [0,0,0,0,0,0|1,0,1]=2 4 B5R0.2 C=CCOCC 5601AE [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C=CCSSC 7031AL [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 C=CC\C=C/C 0307AQ [0,0,0,0,0,0|1,0,1]=2 7 B5R0.2 CCCCOC 7303AL [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 COCCCI 9890AH [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 CSCCC#N 5452AE [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 NOC\C=C\Cl 6798AC [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 [C-]#[N+]CCOC V5938 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 C=C=CCO 0432AQ [1,0,0,0,0,0|0,0,3]=4 13 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,2]=4 14 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|1,0,2]=4 16 B4R0.2 CCCON 6597AE [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CCCSC U677 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|0,0,3]=4 20 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|1,1,1]=4 22 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|3,0,0]=4 23 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|3,0,0]=4 24 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|1,0,1]=3 25 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|1,0,1]=3 26 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,1,0,0,0,0|0,0,2]=3 27 B6R0.4 C#CCNC(C)=O 3665AL [0,1,0,0,0,0|1,0,2]=4 28 B6R0.4 C#CCNC(N)=O W6702 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|1,0,1]=3 30 B6R0.4 C=C(Cl)CN=C=S S894 [0,1,0,0,0,0|1,1,1]=4 31 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|1,0,0]=2 32 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|1,0,1]=3 33 B6R0.4 C=CCOC(N)=O 0515AQ [0,1,0,0,0,0|1,0,0]=2 34 B6R0.4 CC(=O)CCCBr W5938 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|2,0,1]=4 37 B6R0.4 CC(=O)SCC#N 6370AE [0,1,0,0,0,0|2,0,1]=4 38 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|2,0,1]=4 39 B6R0.4 CCCCC(=O)Br 7391AF [0,1,0,0,0,0|0,0,2]=3 40 B6R0.4 CSCCC(=O)Cl 6126AL [0,1,0,0,0,0|1,0,1]=3 41 B6R0.4 N#CCNC(N)=O X4454 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.6 C#CCNCC=C 9621AC [0,1,0,0,0,0|1,0,1]=3 43 B6R0.6 C=CCCCC#N 6777AL [0,1,0,0,0,0|1,0,1]=3 44 B6R0.6 C=CCCCCI 0232AQ [0,1,0,0,0,0|1,0,1]=3 45 B6R0.6 C=CCCN=C=S 8120AL [0,1,0,0,0,0|0,1,1]=3 46 B6R0.6 C=CCC\C=C\C 4658AL [0,1,0,0,0,0|1,0,0]=2 47 B6R0.6 C=CCNCC=C 6733AE [0,1,0,0,0,0|1,0,0]=2 48 B6R0.6 C=CCOCC=C 7030AL [0,1,0,0,0,0|1,0,0]=2 49 B6R0.6 C=CCSCCC R577 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.6 C=COCCCN 0206AC [0,1,0,0,0,0|1,0,1]=3 51 B6R0.6 COCCN=C=O 3069AE [0,1,0,0,0,0|1,0,2]=4 52 B6R0.6 C\C=C/CCCC 7422AL [0,1,0,0,0,0|1,0,1]=3 53 B6R0.6 C\C=C/CCCCl 7455AL [0,1,0,0,0,0|1,0,1]=3 54 B6R0.6 C\C=C\CCCC 7780AF [0,1,0,0,0,0|1,0,1]=3 55 B6R0.6 C\C=C\SCCC U946 [0,1,0,0,0,0|2,0,1]=4 56 B6R1.1 C1=CC=NC=C1 9032AJ [0,0,0,1,0,0|1,0,2]=4 57 B6R1.1 C1=CC=NC=C1 I569 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.1 C1=CN=NC=C1 9247AB [0,0,0,1,0,0|3,0,0]=4 59 B6R1.1 C1=NCCCN1 0674AQ [0,0,0,1,0,0|2,0,1]=4 60 B6R1.2 BrC1=CC=NS1 7852AB [0,0,0,1,0,0|3,0,0]=4 61 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|1,0,1]=3 62 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 CC1=NNCC1 6440AD [0,0,0,1,0,0|2,0,1]=4 64 B6R1.2 CC1=NOC=C1 Z4582 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|1,0,1]=3 66 B6R1.2 IC1=CC=NN1 Z6311 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,1,0,0|1,0,0]=2 68 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,1,0,0|1,0,0]=2 69 B6R1.2 OC1=CSC=C1 8873AA [0,0,0,1,0,0|1,0,2]=4 70 B6R1.6 O=CC1COC1 5573AA [0,0,0,1,0,0|1,0,1]=3 71 B3R0.1 Br\C=C\Br 6810AF [2,0,0,0,0,0|2,0,0]=4 72 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 73 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 74 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|2,0,0]=4 75 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 NCCN E395 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|2,0,0]=4 79 B5R0.1 C=CCC(=C)C 5694AL [1,1,0,0,0,0|0,0,1]=3 80 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|0,0,1]=3 81 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|0,0,1]=3 82 B5R0.1 C=CCC(N)=O Y1568 [1,1,0,0,0,0|0,0,0]=2 83 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|1,0,1]=4 84 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|1,0,1]=4 85 B5R0.1 C\C=C\C(N)=O 7909AD [1,1,0,0,0,0|0,0,2]=4 86 B5R0.1 N#CCC(=O)[O-] 7007AF [1,1,0,0,0,0|1,0,1]=4 87 B5R0.1 NC(=O)CCO 8063AJ [1,1,0,0,0,0|1,0,0]=3 88 B5R0.1 O=C(O)CCF 6350AB [1,1,0,0,0,0|1,0,0]=3 89 B5R0.1 O=C(O)\C=C/Br V3608 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 O=C(O)\C=C/I 9333AB [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 O=C(O)\C=C\I V7047 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.3 C=C[C@H](O)CO 1303AL [1,1,0,0,0,0|0,0,1]=3 93 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|1,0,1]=4 94 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|1,0,1]=4 95 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|0,0,0]=2 96 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|1,0,0]=3 97 B7R0.2 CCC(N)CC(=O)O 2363AL [0,2,0,0,0,0|0,0,2]=4 98 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,2,0,0,0,0|0,0,2]=4 99 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,2,0,0,0,0|0,0,2]=4 100 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,0,1]=4 101 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|1,0,1]=4 102 B7R0.3 C=C(CC)CCCC 5608AL [0,2,0,0,0,0|1,0,1]=4 103 B7R0.3 C=CCCC(=O)OC 0026AQ [0,2,0,0,0,0|0,0,0]=2 104 B7R0.3 C=CCNC(=O)CN 2048AD [0,2,0,0,0,0|1,0,0]=3 105 B7R0.3 C=CCOC(=O)C=C 7691AF [0,2,0,0,0,0|1,0,0]=3 106 B7R0.3 CNC(=O)CCCN 5583AD [0,2,0,0,0,0|1,0,1]=4 107 B7R0.3 CNCCC(=O)NC 4515AE [0,2,0,0,0,0|1,0,1]=4 108 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|1,0,1]=4 109 B7R0.3 CNCCC(=O)OC 1857AB [0,2,0,0,0,0|1,0,1]=4 110 B7R0.3 CNCCC(=O)OC X3419 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|0,0,1]=3 112 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,2,0,0,0,0|0,0,2]=4 114 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,2,0,0,0,0|0,0,0]=2 115 B7R0.5 C=CC\C(F)=C(/F)Br 5571AD [0,2,0,0,0,0|1,0,1]=4 116 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,2,0,0,0,0|0,0,2]=4 117 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|1,0,1]=4 118 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [0,2,0,0,0,0|2,0,0]=4 119 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|1,0,1]=4 121 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|1,0,1]=4 124 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|1,0,1]=4 125 B7R0.4 C=C(C)CCCCC 5698AL [0,2,0,0,0,0|1,0,1]=4 126 B7R0.4 C=CCCCB(O)O X0893 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.4 C=CCCOC(C)=O 3121AL [0,2,0,0,0,0|0,0,0]=2 128 B7R0.4 C=CCSCC(=O)O 6981AD [0,2,0,0,0,0|0,0,0]=2 129 B7R0.4 CC(=O)CCCC#N 6789AL [0,2,0,0,0,0|0,0,2]=4 130 B7R0.4 CC(=O)NCCCN V5818 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.4 CC(=O)NCCCO 8280AC [0,2,0,0,0,0|1,0,1]=4 133 B7R0.4 CCCCNC(C)=O 7541AF [0,2,0,0,0,0|0,0,2]=4 134 B7R0.4 CCOCCC(C)=O 6489AL [0,2,0,0,0,0|0,0,2]=4 135 B7R0.4 CCSCCC(=O)O 8721AE [0,2,0,0,0,0|0,0,2]=4 136 B7R0.4 COCCNC(N)=O V4427 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,2,0,0,0,0|1,0,0]=3 139 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|1,0,1]=4 140 B7R0.6 C=C(Cl)CSC(C)=O 8348AD [0,2,0,0,0,0|1,0,0]=3 141 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|1,0,1]=4 142 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.6 N=C(N)NCC(=O)O 4588AD [0,2,0,0,0,0|2,0,0]=4 144 B7R0.1 C=CCCCCCCl 5718AC [0,2,0,0,0,0|1,0,1]=4 145 B7R0.1 C=CCCCN=C=S 8121AL [0,2,0,0,0,0|0,1,1]=4 146 B7R0.1 C=CCNCC#CC 3523AE [0,2,0,0,0,0|1,0,1]=4 147 B7R0.1 C=CCOCCCC 7029AL [0,2,0,0,0,0|1,0,1]=4 148 B7R0.1 CCCC\C=C\CO 9204AL [0,2,0,0,0,0|1,0,1]=4 149 B7R0.1 CC\C=C\CCCC 9221AL [0,2,0,0,0,0|1,0,1]=4 150 B7R0.1 C\C=C/CCCCC 7427AL [0,2,0,0,0,0|1,0,1]=4 151 B7R0.1 C\C=C\CCCCC 7960AF [0,2,0,0,0,0|1,0,1]=4 152 B7R0.1 O=CCCCCCCl Y9332 [0,2,0,0,0,0|0,0,2]=4 153 B5R1.1 C1=CSN=C1 Z4550 [1,0,0,1,0,0|2,0,0]=4 154 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|2,0,0]=4 155 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|0,0,1]=3 156 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,1,0,0|1,0,1]=4 157 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,1,0,1,0,0|0,0,2]=4 158 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|0,0,2]=4 159 B7R1.1 O=CC1=NC=CO1 7478AE [0,1,0,1,0,0|1,0,1]=4 160 B7R1.1 O=CN1CCCC1 0706AQ [0,1,0,1,0,0|0,0,2]=4 161 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|0,0,0]=2 163 B7R1.2 NC1=NC(=O)CO1 9344AA [0,1,0,1,0,0|2,0,0]=4 164 B7R1.2 NC1CNC(=O)C1 9509AL [0,1,0,1,0,0|1,0,1]=4 165 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,1,0,0|0,0,0]=2 166 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|0,0,2]=4 167 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.2 O[C@@H]1C=C[C@H](O)C1 3216AL [0,1,0,1,0,0|0,0,2]=4 170 B7R1.3 BrC1=CCCCC1 Z0360 [0,1,0,1,0,0|1,0,1]=4 171 B7R1.3 BrC1=CCOCC1 V4625 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.3 BrC1=CCSCC1 Z8895 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.3 C=C1CCOCC1 4680AB [0,1,0,1,0,0|1,0,1]=4 174 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,1,0,0|1,0,1]=4 175 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|1,0,1]=4 176 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,1,0,0|1,0,1]=4 177 B7R1.3 O=C1C=CCCN1 9030AB [0,1,0,1,0,0|0,0,0]=2 178 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,1,0,0|0,0,0]=2 179 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|1,0,0]=3 180 B7R1.4 CN1SC=CC1=O P432 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.4 NN1CCCC1=O 0452AB [0,1,0,1,0,0|1,0,1]=4 182 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,1,0,1,0,0|1,0,1]=4 183 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|0,0,0]=2 184 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|0,0,2]=4 185 B7R1.4 O=C1NCC[C@H]1O W8410 [0,1,0,1,0,0|1,0,1]=4 186 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|0,0,2]=4 187 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|1,0,1]=4 188 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|1,0,1]=4 189 B7R1.10 O=C1CC(CO)C1 9616AA [0,1,0,1,0,0|1,0,1]=4 190 B7R1.14 O=S1(=O)C=CCC1 Z8082 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.18 CC(=O)N1C=CC1 6529AA [0,1,0,1,0,0|1,0,0]=3 192 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.18 NC(=O)C1CNC1 1496AC [0,1,0,1,0,0|1,0,1]=4 194 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|1,0,1]=4 195 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|1,0,1]=4 196 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|1,0,1]=4 197 B7R1.24 C1=CCCCCC1 7508AL [0,1,0,1,0,0|1,0,1]=4