0 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,0,0,0,0|4,0,0]=4 2 B6R0.2 CC(C)=NN(C)C 6998AL [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(C)CC(C)Br 3157AB [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,0,0,0,0,0|4,0,0]=4 6 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 CN(C)NC(N)=O 4373AL [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 NC(=O)CC(=O)O 1571AB [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 NC(=S)CC(N)=S 9832AJ [0,0,0,0,0,0|3,1,0]=4 11 B5R0.1 C=C(C)CON 4430AJ [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C=CCC(C)C 6595AL [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 C=CCC(C)O 7318AF [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 C=COC(C)C 3476AL [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC(C)CCCl 7326AF [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(O)CON 3604AB [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCSC(=N)N 2034AH [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CNCC(C)C 8603AL [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 COCC(=N)N 1769AJ [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CSCC(=N)N 1816AJ [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C\C=C\C(N)=O 7909AD [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 N#CCC(=O)[O-] 7007AF [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 NC(=O)CCO 8063AJ [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,0,0,0,0|3,0,0]=4 30 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 CC(C)CC(N)C#N 5444AJ [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 CC(C)NC(=S)NN 3860AD [0,1,0,0,0,0|2,1,0]=4 33 B7R0.2 CC(CO)CN(C)C 0615AE [0,1,0,0,0,0|1,0,2]=4 34 B7R0.2 CC(O)CC(=O)NN 8247AD [0,1,0,0,0,0|2,0,0]=3 35 B7R0.2 CCC(N)CC(=O)O 2363AL [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 CCN(C)CC(C)=O 9608AC [0,1,0,0,0,0|1,0,0]=2 37 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [0,1,0,0,0,0|1,0,1]=3 40 B7R0.2 CN(C)C=C(I)C=O 1090AQ [0,1,0,0,0,0|1,0,1]=3 41 B7R0.2 CN(C)CC(=O)NN E002 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.2 CN(C)CC(=O)NN W6825 [0,1,0,0,0,0|0,0,0]=1 43 B7R0.2 CN(C)CC(O)CCl 4719AE [0,1,0,0,0,0|1,0,2]=4 44 B7R0.2 CN(C)CC(O)CN V6256 [0,1,0,0,0,0|0,0,2]=3 45 B7R0.2 CN(C)C\C(N)=N\O 0290AC [0,1,0,0,0,0|0,0,1]=2 46 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,1,0,0,0,0|2,1,0]=4 49 B7R0.2 COC(C)CC(=O)O 0132AA [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 NCC(N)CC(=O)O 5843AA [0,1,0,0,0,0|3,0,0]=4 51 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,1,0,0,0,0|2,0,0]=3 52 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,1,0,0,0,0|2,0,0]=3 54 B7R0.9 NC(=O)CC(F)(F)F 6340AB [0,1,0,0,0,0|3,0,0]=4 55 B7R0.16 C=C(C)C(=O)N(C)C 8445AL [0,1,0,0,0,0|2,0,1]=4 56 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,0,0|3,0,0]=4 57 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,1,0,0,0,0|1,0,0]=2 58 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,1,0,0,0,0|2,0,1]=4 59 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,1,0,0|3,0,0]=4 61 B7R1.2 CC1CNC(=O)C1 X7991 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.2 CC1CNC(=O)O1 8398AC [0,0,0,1,0,0|2,0,0]=3 63 B7R1.2 CC1CNC(=S)N1 7200AD [0,0,0,1,0,0|2,1,0]=4 64 B7R1.2 CN1C=C(N)N=N1 0396AC [0,0,0,1,0,0|2,0,1]=4 65 B7R1.2 CN1C=CC(N)=N1 0807AQ [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 CN1C=NC(N)=C1 W8501 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.2 CN1C=NC(N)=N1 6721AB [0,0,0,1,0,0|2,0,1]=4 68 B7R1.2 CN1CCC(Br)C1 1332AA [0,0,0,1,0,0|2,0,1]=4 69 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,0,0,1,0,0|1,0,1]=3 70 B7R1.2 NC1CNC(=O)C1 9509AL [0,0,0,1,0,0|2,0,0]=3 71 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,0|3,0,0]=4 72 B7R1.2 O=C1CNC(=O)C1 X3858 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.20 NC(=S)NC1CC1 V6652 [0,0,0,1,0,0|2,1,0]=4 74 B7R1.20 NC(N)=NC1CC1 5423AD [0,0,0,1,0,0|3,0,0]=4 75 B5R0.5 C=C(Br)C(N)=O 0896AC [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,1,0|3,0,0]=4 77 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,0,0,0,1,0|3,0,0]=4 78 B5R0.5 CC(=O)C(=O)[O-] 7018AF [0,0,0,0,1,0|3,0,0]=4 79 B5R0.5 CC(=O)C(C)F 0085AF [0,0,0,0,1,0|3,0,0]=4 80 B5R0.5 CC(=S)N(C)C 3685AL [0,0,0,0,1,0|1,1,0]=3 81 B5R0.5 CC(O)C(=N)N 2094AL [0,0,0,0,1,0|3,0,0]=4 82 B5R0.5 CC(O)C(=O)O Y1768 [0,0,0,0,1,0|3,0,0]=4 83 B5R0.5 CN(C)C(=N)N 3681AL [0,0,0,0,1,0|1,0,0]=2 84 B5R0.5 CN(C)C(N)=S 8335AE [0,0,0,0,1,0|0,1,0]=2 85 B5R0.5 CN(C)P(Cl)Cl 6866AF [0,0,0,0,1,0|3,0,0]=4 86 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 NC(=O)C(F)Br 3265AE [0,0,0,0,1,0|3,0,0]=4 88 B5R0.5 NC(=O)C(F)I 3275AE [0,0,0,0,1,0|3,0,0]=4 89 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,0,1|3,0,0]=4 90 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,0,1|1,0,0]=2 91 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,0,0,0,1|3,0,0]=4 92 B7R0.6 CC(=O)NNC(C)C 6165AB [0,0,0,0,0,1|3,0,0]=4 93 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,0,0,0,0,1|3,0,0]=4 94 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,0,0,0,0,1|2,0,1]=4 95 B7R0.6 CN(C)CCN(C)C 3249AL [0,0,0,0,0,1|3,0,0]=4 96 B7R0.6 CN(C)\C=N\C(N)=S 0304AF [0,0,0,0,0,1|0,1,1]=3 97 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 C=CC(C)C 7308AF [2,0,0,0,0,0|1,0,1]=4 99 B4R0.1 C=NN(C)C 7943AL [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 101 B4R0.1 CC(=O)NBr 6848AF [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 CSC(=N)N 4399AD [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 N=C(N)CO 6468AB [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|1,0,0]=3 107 B4R0.1 NCC(=O)[O-] P522 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.1 NNC(N)=S I585 [2,0,0,0,0,0|1,1,0]=4 109 B4R0.2 CCCNN 4415AE [2,0,0,0,0,0|2,0,0]=4 110 B4R0.2 CCCON 6597AE [2,0,0,0,0,0|2,0,0]=4 111 B4R0.2 CNCC#N 8258AL [2,0,0,0,0,0|0,0,2]=4 112 B6R0.1 CCC(=O)CSC K829 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.1 CCCC(=O)SC 8847AJ [1,1,0,0,0,0|2,0,0]=4 114 B6R0.1 CCNC(=O)CN 8793AD [1,1,0,0,0,0|2,0,0]=4 115 B6R0.1 CNC(=O)CCCl 2983AE [1,1,0,0,0,0|2,0,0]=4 116 B6R0.1 CNC(=O)CCO 8079AE [1,1,0,0,0,0|2,0,0]=4 117 B6R0.1 CNCC(=O)NC V5990 [1,1,0,0,0,0|0,0,0]=2 118 B6R0.1 CSC\C(N)=N\O 8012AC [1,1,0,0,0,0|1,0,1]=4 119 B6R0.3 CC(C#N)N(C)C 5120AE [1,1,0,0,0,0|0,0,2]=4 120 B6R0.3 CCC(Br)C(N)=O 5224AE [1,1,0,0,0,0|1,0,0]=3 121 B6R0.3 CCC(C)C(C)=O U423 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 CCC(S)C(C)=O 9471AJ [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,1,0,0,0,0|1,0,0]=3 126 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,1,0,0,0,0|2,0,0]=4 127 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.3 CN(C)C(=O)CN W4015 [1,1,0,0,0,0|0,0,2]=4 129 B6R0.3 CN[C@H](C)C(=O)O Z5607 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.3 CSC(C)C(=O)O 6148AE [1,1,0,0,0,0|2,0,0]=4 131 B6R0.3 CSC(C)C(C)=O 6125AL [1,1,0,0,0,0|2,0,0]=4 132 B6R0.3 NC(=O)C(Br)CBr 5213AL [1,1,0,0,0,0|2,0,0]=4 133 B6R0.3 NC(=O)C(N)CO 2131AB [1,1,0,0,0,0|2,0,0]=4 134 B6R0.3 NNC(=O)C(N)=O 4727AE [1,1,0,0,0,0|1,0,1]=4 135 B6R0.4 C#CCNC(N)=O W6702 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.4 C=CCCC(C)C 6791AL [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 C=CCOC(N)=O 0515AQ [1,1,0,0,0,0|1,0,1]=4 138 B6R0.4 CC(=O)CCCBr W5938 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.4 CCCCC(=O)Br 7391AF [1,1,0,0,0,0|2,0,0]=4 140 B6R0.4 CSCCC(=O)Cl 6126AL [1,1,0,0,0,0|2,0,0]=4 141 B6R0.4 C\C=C\CC(C)C 6798AL [1,1,0,0,0,0|2,0,0]=4 142 B6R0.4 N#CCNC(N)=O X4454 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.5 C=CCC(C)(C)C 6312AL [1,1,0,0,0,0|2,0,0]=4 144 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,1,0|2,0,0]=4 145 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,1,0|2,0,0]=4 146 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,1,0,0,1,0|2,0,0]=4 147 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,1,0,0,1,0|1,0,0]=3 148 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,1,0,0,0,1|2,0,0]=4 149 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,1,0,0,0,1|1,0,0]=3 150 B8R0.9 CC(C)OCC(=O)NN 2431AF [0,1,0,0,0,1|1,0,0]=3 151 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,0,0,0,1|2,0,0]=4 152 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,1,0,0,0,1|2,0,0]=4 153 B8R0.9 CN(C)CCC(=O)NN 7730AD [0,1,0,0,0,1|0,0,0]=2 154 B8R0.9 C\C(CCl)=N/NC(N)=O 7650AB [0,1,0,0,0,1|2,0,0]=4 155 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,0,0,0,1|2,0,0]=4 156 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,0,0,0,1|2,0,0]=4 157 B8R0.23 CC(C)[C@@H](N)CC(=O)O 0469AP [0,1,0,0,0,1|2,0,0]=4 158 B8R0.23 CC(C)[C@@H](N)CC(=O)O Z5862 [0,1,0,0,0,1|2,0,0]=4 159 B8R0.23 CC(C)[C@H](N)CC(=O)O Z5766 [0,1,0,0,0,1|2,0,0]=4 160 B8R0.29 CC(C)(C)CCC(=O)O 8824AC [0,1,0,0,0,1|2,0,0]=4 161 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,1,0,0,0,1|2,0,0]=4 162 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,1,0,0,0,1|1,0,0]=3 163 B8R0.29 CN(C)CCC(C)(C)N 5824AC [0,1,0,0,0,1|1,0,1]=4 164 B8R0.2 CC(C)[C@H](N)C(=O)CCl 7355AH [0,2,0,0,0,0|2,0,0]=4 165 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.2 CNC(=O)C(N)C(C)C 6354AD [0,2,0,0,0,0|1,0,0]=3 167 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O 7348AH [0,2,0,0,0,0|2,0,0]=4 168 B8R0.5 CC(C)NC(=O)CCN 9774AC [0,2,0,0,0,0|2,0,0]=4 169 B8R0.5 CN(CCO)CC(=O)O 8726AD [0,2,0,0,0,0|1,0,0]=3 170 B8R0.5 CNCC(=O)NC(C)C 1017AD [0,2,0,0,0,0|2,0,0]=4 171 B8R0.5 CNCC(=O)NC(C)C 4697AE [0,2,0,0,0,0|2,0,0]=4 172 B8R0.16 CCN(CC)CC(=O)O 5131AD [0,2,0,0,0,0|1,0,0]=3 173 B8R0.16 CCN(CC)CC(=O)[O-] 8434AL [0,2,0,0,0,0|1,0,0]=3 174 B8R0.16 CO\C(C=O)=C\N(C)C X9940 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,2,0,0,0,0|2,0,0]=4 176 B8R0.19 CCN(C)CC(=O)NN 0866AD [0,2,0,0,0,0|0,0,0]=2 177 B8R0.19 CCN(C)CC(C)CN 8290AC [0,2,0,0,0,0|1,0,1]=4 178 B8R0.24 CC(C)(C)NC(=O)CN 8528AE [0,2,0,0,0,0|2,0,0]=4 179 B8R0.24 CNC(=O)CS(C)(=O)=O 7284AJ [0,2,0,0,0,0|2,0,0]=4 180 B8R0.34 CSC(C)(C)CC(C)=O U806 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O X9026 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.27 CC(C)(C)[C@H](N)C(=O)O V9295 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.27 CC(C)(O)C(N)C(=O)O 5433AJ [0,2,0,0,0,0|2,0,0]=4 184 B8R0.18 CC(C)[C@@H](CN)C(=O)O 5651AC [0,2,0,0,0,0|2,0,0]=4 185 B8R0.18 CC(C)[C@H](CN)C(=O)O 0748AB [0,2,0,0,0,0|2,0,0]=4 186 B8R0.18 CC(C)[C@H](CN)C(=O)O 5355AA [0,2,0,0,0,0|2,0,0]=4 187 B8R0.18 CC(C)[C@H](NO)C(=O)O Q384 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.18 CCC(C(=O)O)N(C)C 5509AD [0,2,0,0,0,0|1,0,0]=3 189 B8R0.18 CNC(C(=O)O)C(C)C Z5785 [0,2,0,0,0,0|2,0,0]=4 190 B6R1.2 CC1CCNC1 X9461 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.2 N[C@H]1CCNC1 N118 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,1,0,0|1,0,1]=4 193 B6R1.3 NNCC1CC1 4780AJ [1,0,0,1,0,0|2,0,0]=4 194 B6R1.5 CN1CC(N)C1 6718AC [1,0,0,1,0,0|0,0,1]=3 195 B6R1.5 CN1CC(O)C1 8767AC [1,0,0,1,0,0|0,0,2]=4 196 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|2,0,0]=4 197 B6R1.11 O=C(O)C1CN1 7766AB [1,0,0,1,0,0|1,0,0]=3 198 B8R1.3 CC1CCC(=O)NC1 3753AB [0,0,0,1,0,1|1,0,0]=3 199 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,1,0,1|1,0,0]=3 200 B8R1.3 CN1CN=C(S)NC1 V7230 [0,0,0,1,0,1|0,1,0]=3 201 B8R1.3 NC1CCC(=O)NC1 7736AA [0,0,0,1,0,1|2,0,0]=4 202 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,0,0,1,0,1|2,0,0]=4 203 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,0,0,1,0,1|2,0,0]=4 204 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,0,0,1,0,1|2,0,0]=4 205 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,0,1,0,1|2,0,0]=4 206 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,0,0,1,0,1|2,0,0]=4 207 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,0,1,0,1|2,0,0]=4 208 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,0,1,0,1|2,0,0]=4 209 B8R1.35 N=C(N)SCC1CC1 3978AJ [0,0,0,1,0,1|2,0,0]=4 210 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,0,0,1,0,1|2,0,0]=4 211 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,0,1|2,0,0]=4 212 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,0,0,1,0,1|2,0,0]=4 213 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,0,0,1,0,1|2,0,0]=4 214 B8R1.51 CC1(C)COC(=S)N1 2578AL [0,0,0,1,0,1|1,1,0]=4 215 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,0,0,1,0,1|2,0,0]=4 216 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,0,0,1,0,1|1,0,0]=3 217 B8R1.1 CN1CCC(CN)C1 5417AA [0,1,0,1,0,0|1,0,1]=4 218 B8R1.1 CN[C@H]1CCN(C)C1 Z2059 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,1,0,0|1,0,0]=3 220 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|2,0,0]=4 223 B8R1.4 CC1CN(C)CCN1 Z2448 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.4 CN1CCC=C(Br)C1 1699AE [0,1,0,1,0,0|2,0,0]=4 225 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,1,0,1,0,0|2,0,0]=4 226 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,1,0,0|1,0,0]=3 227 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,1,0,0|1,0,0]=3 228 B8R1.4 CN1CCC[C@H](N)C1 9156AH [0,1,0,1,0,0|1,0,1]=4 229 B8R1.4 CN1CCC[C@H](N)C1 9157AH [0,1,0,1,0,0|1,0,1]=4 230 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,1,0,1,0,0|2,0,0]=4 231 B8R1.4 C[C@H]1CN(C)CCN1 2498AA [0,1,0,1,0,0|1,0,1]=4 232 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [0,1,0,1,0,0|1,0,1]=4 233 B8R1.4 NC1CCNC(=O)C1 X9664 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.18 CC1=C(C)NC(=O)N1 1527AA [0,1,0,1,0,0|2,0,0]=4 235 B8R1.18 CC1=NC(N)=NN1C 1073AE [0,1,0,1,0,0|2,0,0]=4 236 B8R1.18 CC1CC(=O)NC1=O 2461AL [0,1,0,1,0,0|1,0,1]=4 237 B8R1.34 O=C(O)CC1CNC1 1241AJ [0,1,0,1,0,0|2,0,0]=4 238 B8R1.40 NCC(=O)NC1CC1 4993AH [0,1,0,1,0,0|2,0,0]=4 239 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,1,0,1,0,0|1,0,1]=4 240 B8R1.54 NC(C(=O)O)C1CC1 7918AA [0,1,0,1,0,0|2,0,0]=4 241 B8R0.28 CC(=O)CCCN(C)C Y9101 [0,0,0,0,0,2|1,0,0]=3 242 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,0,0,0,2|2,0,0]=4 243 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,0,0,0,0,2|2,0,0]=4 244 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,0,0,0,0,2|1,0,0]=3 245 B8R0.28 CN(C)C\C=C\C(=O)O 1119AQ [0,0,0,0,0,2|1,0,0]=3