0 B6R0.2 C=C(C)CC(=O)O CS-0222727 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)\C=C(/C)N CS-0970843 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(Br)CC(=O)O CS-0234784 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(C)=CC(N)=O CS-0237253 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.2 CC(C)CC(C)N CS-0171946 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)NC(N)=S CS-0180918 [0,0,0,0,0,0|2,1,0]=3 6 B6R0.2 CC(N)CC(C)O CS-0723502 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CC(O)C[C@@H](C)N CS-1057041 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CN(C)CC(=N)N CS-0251780 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.2 CN(C)CC(N)=S CS-0166847 [0,0,0,0,0,0|0,1,0]=1 10 B6R0.2 C[C@H](N)CN(C)C CS-0159972 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.2 N=C(N)NC(N)=O CS-0514817 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.2 NC(=O)C[N+](=O)[O-] CS-0516929 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 C=C(C)CCN CS-0204885 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 C=C(C)CNN CS-0742042 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 C=CCC(C)N CS-0217614 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 C=CC[C@H](C)N CS-0910278 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC#CC(C)=O CS-0245459 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(=O)CCBr CS-0162440 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CC(=O)\C=C\N CS-0250051 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)=CCN CS-0434630 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CC(N)CCN CS-0262681 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(O)CNN CS-0036622 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CCSC(C)=O CS-0206289 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CN(C)CCI CS-0524227 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CN(C)CCO CS-W009541 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.1 CNCC(C)O CS-0754427 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 CNCC(F)F CS-0099167 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CNC[C@@H](C)O CS-0375929 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CNC[C@H](C)O CS-0139471 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CNC[C@H](C)O CS-0652032 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 CNNC(N)=S CS-0262999 [1,0,0,0,0,0|1,1,0]=3 32 B5R0.1 COCC(N)=S CS-0216719 [1,0,0,0,0,0|1,1,0]=3 33 B5R0.1 CONC(N)=O CS-0236664 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CS(=O)CCN CS-0762173 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CSCC(C)N CS-0217650 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CSCC(N)=S CS-0237490 [1,0,0,0,0,0|1,1,0]=3 37 B5R0.1 C[C@@H](O)CCN CS-0113150 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C[NH+](C)CC[NH3+] CS-0214071 [1,0,0,0,0,0|0,0,3]=4 39 B5R0.1 N=C(N)CCO CS-0570174 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 N=C(N)CCO CS-0698343 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 NC(=O)NCO CS-0719447 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 NCCC(=O)O CS-0214063 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 NCCC(N)=O CS-0465599 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 NNCC(N)=O CS-0233610 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 NOCC(N)=O CS-0225941 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.2 C=C(C)CC(C)CC CS-0205105 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 C=CC(=O)CC(C)C CS-0449789 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 CC(=O)NC(C)CN CS-0521164 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 CC(C#N)CC(=O)O CS-0611916 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CC(C#N)NC(N)=O CS-0239269 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 CC(C)CC(N)CN CS-0259672 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 CC(C)NC(=O)CBr CS-0153998 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.2 CC(C)NC(=O)CI CS-0365091 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.2 CC(C)NC(=O)CN CS-0245520 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.2 CC(CN)CN(C)C CS-0668444 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.2 CC(CO)CN(C)C CS-0215040 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.2 CC(O)CC(=O)NN CS-0660666 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.2 CCC(=O)CC(=O)O CS-0321524 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.2 CCC(=O)CC(C)C CS-0205108 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.2 CCC(O)CN(C)C CS-0246574 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.2 CC[C@@H](C)CC(=O)O CS-0172023 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.2 CC[C@@H](N)CC(=O)O CS-0236565 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.2 CC\C(C)=C\C(=O)O CS-0006550 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.2 CN(C)CC(=O)NN CS-0358835 [0,1,0,0,0,0|0,0,0]=1 65 B7R0.2 CNC(=O)CC(C)C CS-0763692 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.2 CNC(=O)CC(C)N CS-0242259 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 CNC(=O)CN(C)C CS-0224484 [0,1,0,0,0,0|0,0,0]=1 68 B7R0.2 CNC(C)CC(=O)O CS-0742482 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 CNC(C)CC(C)C CS-0273923 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 CNC(C)CC(N)=O CS-0714602 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.2 CNC(C)CS(C)=O CS-0233433 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 COC(=O)CC(=N)N CS-0445236 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.2 COC(=O)CC(C)Br CS-0154070 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 COC(=O)C[C@H](C)N CS-0672686 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.2 COC(=O)OC(C)C CS-0368304 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.2 CO\C(C)=C\C(C)=O CS-0517157 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.2 C[C@H](O)CC(=O)O[Na] CS-0143593 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.2 NC(CO)CC(=O)O CS-0161147 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.9 C=C(Br)C[Si](C)(C)C CS-0213778 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.9 C=C(C)CS(N)(=O)=O CS-0235209 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.9 CC(=O)CC(C)(C)N CS-0024134 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.9 CC(=O)NC(C)(C)C CS-0331122 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.9 CC(C)(O)CC(=O)O CS-0915573 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.9 CC(C)CS(N)(=O)=O CS-0695585 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.9 CS(=O)(=O)CC(=N)N CS-0074278 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.16 CC(Br)C(Br)C(=O)O CS-0454034 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.16 CC(C(=O)O)N(C)C CS-0205349 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.16 CC(C(=O)O)N(C)C CS-0447938 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.16 CC(C)=C(C)C(=O)O CS-0229947 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.16 CC(C)=C(F)C(=O)O CS-0231240 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.16 CC(C)C(O)C(C)N CS-0231862 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.16 CC(C)[C@@H](C)C(=O)O CS-0273260 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.16 CC(C)[C@H](C)C(=O)O CS-0447089 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.16 CC(F)C(N)C(=O)O CS-0272279 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.16 CC(N)C(=O)N(C)C CS-0272242 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.16 CN(C)C(=S)N(C)N CS-1057458 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CS-0257726 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-0031502 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0668310 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 CC1=CC(=O)SC1 CS-0282195 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.2 CC1CC(N)=NO1 CS-0224760 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.2 CC1CCC(=O)C1 CS-0015918 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.2 CC1CN=C(N)O1 CS-0225789 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.2 CC1CNC(C)C1 CS-0217723 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.2 CN1C=NC(N)=C1 CS-0021854 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.2 CN1C=NC(N)=N1 CS-0338703 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 CN1CCC(Cl)C1 CS-0577956 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 CN1CCC(N)=N1 CS-0225667 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 CN1N=CC(N)=N1 CS-0343268 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.2 CN1N=CC(N)=N1 CS-W004041 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.2 C[C@@H]1CNC(=O)C1 CS-0053172 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.2 C[C@@H]1CN[C@H](C)C1 CS-0673874 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.2 C[C@H]1CCC(=O)O1 CS-0233222 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.2 C[C@H]1COC(=O)C1 CS-0120813 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.2 N[C@@H]1CNC(=O)C1 CS-0053173 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.2 N[C@H]1CNC(=O)C1 CS-0053185 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.2 O=C1C=C(Br)CN1 CS-0335953 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.2 O=C1CC[C@H](O)C1 CS-0495545 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.2 O=C1NCC(=S)N1 CS-0005512 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0308589 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS-0443821 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-0043217 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.12 O=C(O)[C@H]1C[C@H]1I CS-0016517 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.16 CC1(O)CC(=O)C1 CS-0615533 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.16 CC1CC(C)(C)N1 CS-0250465 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.20 N=C(N)CC1CC1 CS-0308603 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.20 N=C(N)NC1CC1 CS-0437019 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.20 NC(=S)NC1CC1 CS-0213021 [0,0,0,1,0,0|2,1,0]=4 130 B7R1.20 O=C(O)C=C1CC1 CS-0265215 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.20 O=C(O)CC1CO1 CS-0057155 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.20 O=S([O-])CC1CC1 CS-0850714 [0,0,0,1,0,0|3,0,0]=4 133 B5R0.5 C=C(C)C(=O)[O-] CS-0448042 [0,0,0,0,1,0|2,0,1]=4 134 B5R0.5 CC(=N)N(C)C CS-0231575 [0,0,0,0,1,0|1,0,1]=3 135 B5R0.5 CC(=O)N(C)C CS-0858406 [0,0,0,0,1,0|1,0,0]=2 136 B5R0.5 CC(=O)N(C)N CS-0535170 [0,0,0,0,1,0|2,0,0]=3 137 B5R0.5 CC(I)C(N)=O CS-0233464 [0,0,0,0,1,0|2,0,0]=3 138 B5R0.5 CC(O)C(=N)N CS-0037354 [0,0,0,0,1,0|3,0,0]=4 139 B5R0.5 CC(O)C(=N)N CS-0677492 [0,0,0,0,1,0|3,0,0]=4 140 B5R0.5 CN(C)C(=S)[S-] CS-0187344 [0,0,0,0,1,0|1,1,0]=3 141 B5R0.5 CN(O)C(N)=O CS-0244981 [0,0,0,0,1,0|1,0,0]=2 142 B5R0.5 NC(=O)C(F)Br CS-0216247 [0,0,0,0,1,0|3,0,0]=4 143 B5R0.5 NC(=O)C(F)Cl CS-0452473 [0,0,0,0,1,0|3,0,0]=4 144 B7R0.6 C=C(C)CCC(N)=O CS-0667691 [0,0,0,0,0,1|1,0,1]=3 145 B7R0.6 CC(=O)CCN(C)C CS-0044371 [0,0,0,0,0,1|1,0,0]=2 146 B7R0.6 CC(=O)COC(C)C CS-0258624 [0,0,0,0,0,1|2,0,0]=3 147 B7R0.6 CC(=O)OCC(C)O CS-0505133 [0,0,0,0,0,1|3,0,0]=4 148 B7R0.6 CC(=O)\C=C\N(C)C CS-0356797 [0,0,0,0,0,1|1,0,1]=3 149 B7R0.6 CC(Br)CCC(=O)O CS-0225367 [0,0,0,0,0,1|3,0,0]=4 150 B7R0.6 CC(C)=CCC(=O)O CS-0453086 [0,0,0,0,0,1|2,0,0]=3 151 B7R0.6 CC(C)CCC(N)=O CS-0850663 [0,0,0,0,0,1|1,0,0]=2 152 B7R0.6 CC(C)NCC(=O)O CS-0274531 [0,0,0,0,0,1|2,0,0]=3 153 B7R0.6 CC(C)OCC(=N)N CS-0224137 [0,0,0,0,0,1|2,0,0]=3 154 B7R0.6 CC(C)OCC(N)=S CS-0244842 [0,0,0,0,0,1|1,1,0]=3 155 B7R0.6 CC(C)SCC(=O)O CS-0216007 [0,0,0,0,0,1|2,0,0]=3 156 B7R0.6 CC(O)CCC(=O)[O-] CS-0160829 [0,0,0,0,0,1|3,0,0]=4 157 B7R0.6 CC(O)CCN(C)C CS-0233069 [0,0,0,0,0,1|1,0,2]=4 158 B7R0.6 CN(C)CCC(N)=O CS-0683253 [0,0,0,0,0,1|0,0,0]=1 159 B4R0.1 C=C(Br)CN CS-0251869 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 CC(O)CN CS-0466165 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 CC(S)CN CS-0231499 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 CCS(C)=O CS-0772381 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 CNC(=S)[S-] CS-0370878 [2,0,0,0,0,0|1,1,0]=4 164 B4R0.1 C[C@@H](N)CN CS-0341700 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 N=C(N)CBr CS-0694615 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 N=C(N)CF CS-0336061 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 N=C(N)CN CS-0112951 [2,0,0,0,0,0|1,0,0]=3 168 B4R0.1 N=C(N)NO CS-0044700 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 N=C(N)NO CS-0306684 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.1 NC(=S)CF CS-0233322 [2,0,0,0,0,0|1,1,0]=4 171 B4R0.1 NCC(=O)O CS-0468679 [2,0,0,0,0,0|1,0,0]=3 172 B4R0.1 NCC(N)=S CS-0225666 [2,0,0,0,0,0|0,1,0]=3 173 B4R0.1 NNC(N)=O CS-0058574 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.1 O=C(O)CS CS-0620475 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.2 CCCNC CS-0312281 [2,0,0,0,0,0|1,0,1]=4 176 B4R0.2 CCCNN CS-0670498 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.2 COCCN CS-0468680 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.1 C#CC(=O)CCC CS-0239001 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.1 C=CCC(=O)NC CS-0670932 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.1 CCCC(=N)NO CS-0208544 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.1 CCCC(=O)CO CS-0239089 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.1 CCCC(=O)SC CS-0323899 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.1 CCNC(=O)CN CS-0213253 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.1 CCOC(=O)NC CS-0187425 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.1 CNCC(=O)OC CS-0017965 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.1 CNCC(C)CN CS-0443116 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.1 COC(=O)CNN CS-0697188 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.1 CONC(=O)CN CS-0231711 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.1 NNC(=O)CCO CS-0139150 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 CC(C)C(C)NN CS-0431728 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 CC(CN)N(C)C CS-0159970 [1,1,0,0,0,0|0,0,1]=3 192 B6R0.3 CCC(C)C(=O)O CS-0964752 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 CCC(Cl)C(N)=O CS-0455431 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.3 CC[C@H](Cl)C(=O)O CS-0198776 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 CNC(C)C(N)=O CS-0277080 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.3 CNC(C)C(N)=O CS-0508434 [1,1,0,0,0,0|0,0,0]=2 197 B6R0.3 CN[C@@H](C)C(=O)O CS-0527567 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.3 COC(C)C(=N)N CS-0230214 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.3 CSC(C)C(C)=O CS-0453432 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.3 NC(=O)C(N)CO CS-0161462 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.3 NCC(O)C(N)=O CS-0521710 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.4 C#CCOC(N)=O CS-0447751 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 C=CCCC(N)=O CS-0524500 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 CC(C)CCON CS-0072030 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 CCNCC(C)N CS-0244889 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.4 CCNCC(N)=O CS-0236893 [1,1,0,0,0,0|0,0,0]=2 207 B6R0.4 CCOCC(N)=S CS-0224102 [1,1,0,0,0,0|1,1,0]=4 208 B6R0.4 CNCCC(C)=O CS-0119661 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 CNCCC(N)=O CS-0301643 [1,1,0,0,0,0|0,0,0]=2 210 B6R0.4 COCCC(C)=O CS-0250048 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.4 N#CCCC(N)=O CS-0247978 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.5 C=CCC(C)(C)N CS-0217451 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.5 C=CCC(C)(C)O CS-0138338 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.5 C[Si](C)(C)CCN CS-0309063 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.7 CC(=O)C(C)(C)N CS-0036060 [0,1,0,0,1,0|2,0,0]=4 216 B6R0.7 CN(C)S(C)(=O)=O CS-0695200 [0,1,0,0,1,0|2,0,0]=4 217 B8R0.9 C=CC(=O)CCC(C)C CS-0252983 [0,1,0,0,0,1|2,0,0]=4 218 B8R0.9 CC(=O)OCC(C)CBr CS-0318948 [0,1,0,0,0,1|2,0,0]=4 219 B8R0.9 CC(C)CCC(=N)NO CS-0216390 [0,1,0,0,0,1|2,0,0]=4 220 B8R0.9 CC(C)CCC(=O)CCl CS-0230892 [0,1,0,0,0,1|2,0,0]=4 221 B8R0.9 CC(CN)CCC(=O)O CS-0224592 [0,1,0,0,0,1|2,0,0]=4 222 B8R0.9 CCC(C)CCC(C)=O CS-0243170 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.9 CN(C)CCC(=O)NN CS-0449914 [0,1,0,0,0,1|0,0,0]=2 224 B8R0.9 CSC(C)CCC(=O)O CS-0231920 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.23 CC(=O)C(=O)CC(C)C CS-W011132 [0,1,0,0,0,1|2,0,0]=4 226 B8R0.23 CC(=O)CC(=O)N(C)C CS-0155066 [0,1,0,0,0,1|1,0,0]=3 227 B8R0.23 CC(=O)\C=C(/C)N(C)C CS-0698969 [0,1,0,0,0,1|1,0,1]=4 228 B8R0.23 CC(C)CC(=O)C(=O)[O-] CS-0138568 [0,1,0,0,0,1|2,0,0]=4 229 B8R0.23 CC(C)CC(C)C(=O)O CS-0609945 [0,1,0,0,0,1|2,0,0]=4 230 B8R0.23 CC(C)C[C@H](Cl)C(=O)O CS-0198796 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.23 CC(C)N(C)CC(=O)O CS-0037772 [0,1,0,0,0,1|2,0,0]=4 232 B8R0.23 CC(C)NC(C)C(=O)O CS-0249471 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.23 CC(CC(=O)O)N(C)C CS-0448703 [0,1,0,0,0,1|1,0,0]=3 234 B8R0.23 CC(CN(C)C)C(=O)O CS-0207720 [0,1,0,0,0,1|1,0,0]=3 235 B8R0.23 CN(C)C(=O)CC(=O)O CS-0264633 [0,1,0,0,0,1|1,0,0]=3 236 B8R0.23 CN(C)CC(N)C(=O)O CS-0663108 [0,1,0,0,0,1|1,0,0]=3 237 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0091615 [0,1,0,0,0,1|1,0,0]=3 238 B8R0.29 CC(=O)CCC(C)(C)C CS-0446419 [0,1,0,0,0,1|2,0,0]=4 239 B8R0.29 CC(=O)CCC(C)(C)O CS-0242570 [0,1,0,0,0,1|2,0,0]=4 240 B8R0.29 CC(C)(C)CNC(N)=O CS-0265447 [0,1,0,0,0,1|1,0,0]=3 241 B8R0.29 CC(C)(C)NCC(=O)O CS-0453850 [0,1,0,0,0,1|2,0,0]=4 242 B8R0.29 CC(C)(C)OCC(N)=S CS-0260644 [0,1,0,0,0,1|1,1,0]=4 243 B8R0.29 CC(C)(N)CNC(N)=O CS-0171994 [0,1,0,0,0,1|1,0,0]=3 244 B8R0.29 CC(C)(N)CNC(N)=O CS-0171995 [0,1,0,0,0,1|1,0,0]=3 245 B8R0.29 CN(C)CCC(C)(C)N CS-0870404 [0,1,0,0,0,1|1,0,1]=4 246 B8R0.29 CN(C)CCC(C)(C)N CS-W022913 [0,1,0,0,0,1|1,0,1]=4 247 B8R0.29 CP(C)(=O)CCC(=O)O CS-0239477 [0,1,0,0,0,1|1,1,0]=4 248 B8R0.29 CS(C)(=O)=NCC(=O)O CS-0046393 [0,1,0,0,0,1|2,0,0]=4 249 B8R0.2 CC(C)C(O)C(=N)NO CS-0337435 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.2 CC(CO)[C@H](N)C(=O)O CS-0973878 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.2 CCC(C)C(C)C(=O)O CS-0232844 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O CS-0446785 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.2 CNC(=O)[C@@H](N)C(C)C CS-0674064 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O CS-0208969 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.2 COC(=O)C(C)C(C)C CS-0222514 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012521 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.5 CC(=O)CN(C)CCO CS-0357534 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.5 CC(CCN)CC(=O)O CS-0222610 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.5 CCCC(C)CC(C)=O CS-0242500 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.5 CN(CCO)CC(=O)O CS-0661185 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.16 CCC(CC)CC(=O)O CS-0230788 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.16 CCC(CN)CC(=O)O CS-0231750 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.19 CCC(=O)CC(C)CC CS-0149261 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.19 CCC(C)CC(=O)OC CS-0709862 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.19 COC(=O)CC(C)OC CS-0230886 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.19 COC(=O)CN(C)C=O CS-0007847 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.24 CC(C)(C)CC(=O)CBr CS-0239445 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.24 CCC(C)CS(N)(=O)=O CS-0260676 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.24 CS(C)(=O)=NC(=O)CN CS-0480163 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.34 CN(C)CC(F)(F)CN CS-0565431 [0,2,0,0,0,0|1,0,1]=4 271 B8R0.27 CC(C)(C)C(F)C(=O)O CS-0887740 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.27 CC(C)(C)C(N)C(=O)O CS-0531552 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.27 CC(C)(O)C(F)C(=O)O CS-0243517 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.27 CC(C)(O)C(N)C(=O)O CS-0464751 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.18 CC(C)C(C#N)C(=O)O CS-0234640 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.18 CC(C)C(CO)C(=O)O CS-0235141 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.18 CCC(C(=O)O)N(C)C CS-0464302 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.18 CNC(C(=O)O)C(C)C CS-0201923 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.18 CO[C@H](C(=O)O)C(C)C CS-0524814 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.37 CC(C)C(C)(C)C(=O)O CS-0264607 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.37 CC(C)[C@](C)(N)C(N)=O CS-0677732 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.37 CN(C)C(C)(C)C(=O)O CS-0091398 [0,2,0,0,0,0|1,0,0]=3 283 B6R1.2 CC1CCNC1 CS-0451382 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.2 CN1CC=CC1 CS-0058296 [1,0,0,1,0,0|1,0,0]=3 285 B6R1.2 NC1CCNC1 CS-W004336 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.2 O=C1CNCN1 CS-0361636 [1,0,0,1,0,0|0,0,0]=2 287 B6R1.2 [C@@H]1(N)CCNC1 CS-W016678 [1,0,0,1,0,0|1,0,1]=4 288 B6R1.5 CC1CC(=O)N1 CS-0046688 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.5 C[C@H]1C[C@@H](N)C1 CS-0049698 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.9 CC1(C)CC1N CS-0071402 [1,0,0,1,0,0|1,0,1]=4 291 B6R1.10 CC1(C)CCN1 CS-0057135 [1,0,0,1,0,0|1,0,1]=4 292 B6R1.4 CC1CNC1=O CS-0046512 [0,0,0,1,1,0|1,0,0]=3 293 B8R1.3 C[C@@H]1CCC(=O)CN1 CS-0505934 [0,0,0,1,0,1|2,0,0]=4 294 B8R1.3 C[C@@H]1CNC(=O)CN1 CS-0058677 [0,0,0,1,0,1|1,0,0]=3 295 B8R1.3 N[C@@H]1CCC(=O)NC1 CS-0054409 [0,0,0,1,0,1|2,0,0]=4 296 B8R1.3 O=C1CCC(F)CN1 CS-0309568 [0,0,0,1,0,1|2,0,0]=4 297 B8R1.20 CC1CC1NC(N)=S CS-0246740 [0,0,0,1,0,1|1,1,0]=4 298 B8R1.23 CN(C)[C@H]1C[C@@H](N)C1 CS-0505890 [0,0,0,1,0,1|1,0,1]=4 299 B8R1.23 CN(C)[C@H]1C[C@H](N)C1 CS-0475893 [0,0,0,1,0,1|1,0,1]=4 300 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [0,0,0,1,0,1|2,0,0]=4 301 B8R1.23 NC(=O)N1CC(O)C1 CS-0236651 [0,0,0,1,0,1|2,0,0]=4 302 B8R1.35 NC(=O)CCC1CC1 CS-1060010 [0,0,0,1,0,1|1,0,0]=3 303 B8R1.35 O=C(O)CNC1CC1 CS-0440195 [0,0,0,1,0,1|2,0,0]=4 304 B8R1.35 O=C(O)COC1CC1 CS-0570804 [0,0,0,1,0,1|2,0,0]=4 305 B8R1.51 CC1(C)CC(=O)CO1 CS-0450890 [0,0,0,1,0,1|2,0,0]=4 306 B8R1.51 CC1(C)CN=C(N)C1 CS-0623124 [0,0,0,1,0,1|2,0,0]=4 307 B8R1.51 CC1(C)CN=C(N)O1 CS-0236387 [0,0,0,1,0,1|1,0,1]=4 308 B8R1.51 CC1(C)CNC(=S)N1 CS-0199687 [0,0,0,1,0,1|1,1,0]=4 309 B8R1.51 CC1(C)COC(=O)C1 CS-0309995 [0,0,0,1,0,1|2,0,0]=4 310 B8R1.51 CC1(C)COC(N)=N1 CS-0083746 [0,0,0,1,0,1|2,0,0]=4 311 B8R1.51 CC1(C)NCC(=O)N1 CS-0858626 [0,0,0,1,0,1|1,0,0]=3 312 B8R1.1 CCC1CNC(=O)C1 CS-0046666 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.1 CCC1COC(=O)C1 CS-0698526 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.1 CCN1CCC(N)C1 CS-0056639 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.1 CCN1CC[C@@H](N)C1 CS-0053343 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.1 CN1CC[C@@H](CN)C1 CS-0053043 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.1 CNC1CNC(=O)C1 CS-0185267 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.1 CN[C@H]1CNC(=O)C1 CS-1056744 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.1 COC1CNC(=O)C1 CS-0496665 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.1 NCC1CNC(=O)C1 CS-0053815 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053189 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053190 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.1 NC[C@H]1CNC(=O)C1 CS-0053176 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.1 NC[C@H]1CNC(=O)O1 CS-0053136 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.1 O=C1C[C@H](CO)CN1 CS-0471470 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.4 CC1CNCC(=O)N1 CS-0038083 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.4 CN1CCCC(=O)C1 CS-0342260 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.4 CN1CCCC(=O)C1 CS-W003399 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.4 C[C@@H]1CNCC(=O)N1 CS-0054006 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053434 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.4 C[C@H]1CCCC(=O)C1 CS-0516748 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.4 C[C@H]1CNCC(=O)N1 CS-0053122 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.4 NC1CCNC(=O)C1 CS-0062156 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.4 O=C1CC(F)CCN1 CS-0858507 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.4 O=C1CNCC(=O)C1 CS-0342703 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.18 CC1CC(=O)CN1C CS-0231561 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.18 CC1CC(=O)N(C)C1 CS-0464952 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.18 CC1CC(=O)NC1=O CS-0061418 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.18 CC1CC(=O)NC1C CS-0265331 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.18 CC1CN(C)CC1=O CS-0230192 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.18 CN1CC(N)C(=O)N1 CS-0265636 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 CS-0745282 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.18 CN1C[C@@H](O)CC1=O CS-0492664 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.18 CN1C[C@H](N)[C@H](O)C1 CS-0053297 [0,1,0,1,0,0|0,0,2]=4 345 B8R1.18 CN1C[C@H](O)CC1=O CS-0492662 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O CS-0468430 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.31 CC1NCC1C(=O)O CS-0091784 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.31 CN1CCC1C(=O)O CS-0056391 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.31 CN1CC[C@@H]1C(=O)O CS-0052024 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.31 CN1CC[C@H]1C(=O)O CS-0052023 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.34 CC(=O)CC1CCC1 CS-0183924 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.34 CC(=O)CC1COC1 CS-0309145 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.34 CN(C)CC1CNC1 CS-0057493 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.34 CN(C)CC1CNC1 CS-0183680 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.34 CN(C)C[C@@H]1CCN1 CS-0879719 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.34 NC(=S)CC1CCC1 CS-0225779 [0,1,0,1,0,0|1,1,0]=4 357 B8R1.34 O=C(O)CC1CCN1 CS-0172790 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.34 O=C(O)CC1CCO1 CS-0057150 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.40 COC(=O)CC1CC1 CS-0112851 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O CS-0217192 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.43 CO[C@@H]1C[C@H]1C(=O)O CS-0623068 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O CS-0491586 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O CS-0184595 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.43 O=C(O)C1CC1CCl CS-0468855 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.43 O=C(O)C1CC1CF CS-0500732 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.43 O=C(O)C1CC1CO CS-0098963 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO CS-0056044 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.62 CC1(CO)CC(=O)C1 CS-0051685 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.62 CN1CC(F)(CN)C1 CS-1136000 [0,1,0,1,0,0|1,0,1]=4 370 B8R1.83 CCC(=O)C1CC1C CS-0242634 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.54 CC(C(=O)O)C1CC1 CS-0142969 [0,1,0,1,0,0|2,0,0]=4 372 B8R2.4 O=C1CC2CC1C2 CS-0309615 [0,0,0,2,0,0|2,0,0]=4 373 B8R2.38 O=C1NCC2CC12 CS-0348851 [0,0,0,2,0,0|1,0,0]=3 374 B8R2.38 [C@@H]12CCC(=O)[C@@H]1C2 CS-0055791 [0,0,0,2,0,0|2,0,0]=4 375 B8R2.38 [C@@H]12CNC(=O)[C@@H]1C2 CS-0375511 [0,0,0,2,0,0|1,0,0]=3 376 B8R2.38 [C@H]12C[C@H]1CNC2=O CS-0375519 [0,0,0,2,0,0|1,0,0]=3 377 B8R0.28 CC(=O)NCCC(C)C CS-0334392 [0,0,0,0,0,2|2,0,0]=4 378 B8R0.28 CC(C)=CCNC(=N)N CS-0084779 [0,0,0,0,0,2|2,0,0]=4 379 B8R0.28 CN(C)C\C=C\C(=O)O CS-0782909 [0,0,0,0,0,2|1,0,0]=3 380 B8R0.28 CN(C)C\C=C\C(N)=O CS-0067381 [0,0,0,0,0,2|0,0,0]=2