0 B7R0.9 CC(=O)CC(C)(C)N CS-0204783 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.9 CC(=O)N[Si](C)(C)C CS-0187550 [0,0,0,0,0,0|2,1,0]=3 2 B7R0.9 CC(C)(C)CC(N)=O CS-0248453 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(C)(C)NC(=N)S CS-W013403 [0,0,0,0,0,0|3,1,0]=4 4 B7R0.9 CC(C)(O)C[N+](=O)[O-] CS-0875022 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.9 CC(C)CC(C)(C)O CS-0454305 [0,0,0,0,0,0|1,1,1]=3 6 B7R0.9 CC(O)C[N+](C)(C)C CS-0185841 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.9 CC(O)C[N+](C)(C)C CS-0185866 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.9 C[C@H](N)CC(C)(C)C CS-0961995 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.9 C[Si](C)(C)CC(=O)O CS-W016542 [0,0,0,0,0,0|2,1,0]=3 10 B7R0.9 NC(=O)CC(F)(F)F CS-0452664 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.2 CC(=O)NC(C)=O CS-0188389 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.2 CC(=O)SC(C)=O CS-0622069 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.2 CC(=O)[CH-]C(C)=O CS-0871014 [1,0,0,0,0,0|0,1,2]=4 14 B6R0.2 CC(=O)\C=C(\C)N CS-0369638 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.2 CC(Br)CC(C)Br CS-0621868 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.2 CC(C)=CC(C)O CS-0006593 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.2 CC(C)=NN(C)C CS-0205033 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.2 CC(C)CC(=N)N CS-0122240 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.2 CC(C)CC(C)Br CS-0273922 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.2 CC(C)C[C@@H](C)O CS-0273778 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.2 CC(C)NC(C)C CS-0214061 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.2 CC(C)SC(=N)N CS-0651375 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.2 CC(O)CN(C)C CS-0504044 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.2 CN(C)CC(N)=O CS-0159757 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.2 CN(C)CC(N)=S CS-0356397 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.2 CN(C)NC(N)=O CS-0450115 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.5 CC(C)(Br)CCBr CS-0450077 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.5 CC(C)(C)CCCl CS-0239649 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.5 CC(C)(C)CCI CS-0259210 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.5 CC(C)(C)CNN CS-0244824 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.5 CC(C)(C)CON CS-0308725 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.5 CC(C)(O)CCO CS-W016637 [1,0,0,0,0,0|0,1,2]=4 36 B6R0.5 CC(C)(O)CON CS-0091974 [1,0,0,0,0,0|2,1,0]=4 37 B6R0.5 CCCC(C)(C)N CS-0252557 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.5 CNC[Si](C)(C)C CS-0570797 [1,0,0,0,0,0|2,1,0]=4 39 B6R0.5 COCC(C)(C)N CS-0356311 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.5 COC[Si](C)(C)C CS-0204187 [1,0,0,0,0,0|2,1,0]=4 41 B8R0.24 CC(C)(C)CC(=O)NN CS-0257209 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.24 CC(C)(C)CS(=O)O[Na] CS-0646105 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.24 CC(C)(C)NC(=O)CN CS-0246803 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.24 CC(C)(C)NC(=O)CN CS-0970922 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.24 CC(C)(C)NC(=O)CO CS-0232065 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.24 CC(C)(C)OC(=O)CN CS-0129828 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.24 CCC(=O)O[Si](C)(C)C CS-0504305 [0,1,0,0,0,0|2,1,0]=4 48 B8R0.24 CCC(C)CC(C)(C)O CS-0247752 [0,1,0,0,0,0|1,1,1]=4 49 B8R0.24 COC(=O)CC(C)(C)C CS-0043307 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.24 COC(=O)C[Si](C)(C)C CS-0204722 [0,1,0,0,0,0|1,1,0]=3 51 B8R0.24 COC(=O)N[Si](C)(C)C CS-0464473 [0,1,0,0,0,0|2,1,0]=4 52 B8R0.27 CC(=O)C(C)S(C)(=O)=O CS-0225615 [0,1,0,0,0,0|2,1,0]=4 53 B8R0.27 CC(C)(C)C(N)C(N)=O CS-0272489 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CS-0162061 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.27 CC(C)(C)[C@H](N)C(N)=O CS-0154966 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CS-0471394 [0,1,0,0,0,0|1,1,0]=3 57 B8R0.27 CC(C)[C@H](N)C(C)(C)O CS-0236963 [0,1,0,0,0,0|1,1,1]=4 58 B8R0.33 CC(C)(C)CC(C)(C)N CS-0214117 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.33 CC(C)(O)CC(C)(C)O CS-0204322 [0,1,0,0,0,0|0,1,2]=4 60 B8R0.34 C#CC(C)(C)NC(C)=O CS-0258592 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.34 C#CC(C)(C)NC(N)=O CS-0242745 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.34 C#CC(C)(C)OC(C)=O CS-0142504 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.34 C=CC(C)(C)CC(=O)O CS-0222065 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.34 CC(=O)CC(C)(C)C#N CS-0245070 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.34 CC(=O)NC(C)(C)C#N CS-0242845 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.34 CC(=O)NC(C)(C)CO CS-0247954 [0,1,0,0,0,0|1,1,0]=3 67 B8R0.34 CC(C)(C#N)CC(=O)O CS-0186815 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.34 CC(C)CC(C)(C)C#N CS-0730835 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.34 CC(C)CC(C)(N)CN CS-0261158 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.34 CCC(C)(C)CC(=O)O CS-0489276 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.34 CCC(C)(C)OC(C)=O CS-0235745 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.34 CCC(C)(O)CC(=O)O CS-0205329 [0,1,0,0,0,0|1,1,0]=3 73 B8R0.34 CCC(C)(O)CC(C)C CS-0327379 [0,1,0,0,0,0|1,1,1]=4 74 B8R0.34 CCS(=O)(=O)CC(C)=O CS-0261135 [0,1,0,0,0,0|2,1,0]=4 75 B8R0.34 CN(C)CC(C)(O)CN CS-0223672 [0,1,0,0,0,0|2,1,0]=4 76 B8R1.42 CN(C)CC1(N)CC1 CS-0308685 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.51 CC1(C)CNC(=O)C1 CS-M3328 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.51 CC1(C)CNC(=O)N1 CS-0496001 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.51 CC1(C)OCC(=O)O1 CS-W011234 [0,0,0,1,0,0|1,1,0]=3 80 B8R1.77 CC1(C)CC1C(N)=O CS-0144916 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.77 NC(=O)C1CC1(Cl)Cl CS-0239126 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.77 O=C(O)C1CC1(Cl)Cl CS-0307437 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.77 O=C(O)[C@H]1CC1(F)F CS-0053638 [0,0,0,1,0,0|3,0,0]=4 84 B6R0.7 CC(C)(C)C(=O)O CS-0199222 [0,0,0,0,1,0|2,0,0]=3 85 B6R0.7 CC(C)(F)C(N)=O CS-0525518 [0,0,0,0,1,0|2,0,0]=3 86 B6R0.7 CC(C)(N)C(N)=O CS-0434048 [0,0,0,0,1,0|2,0,0]=3 87 B6R0.7 CC(C)(S)C(=O)O CS-0113145 [0,0,0,0,1,0|1,0,0]=2 88 B6R0.7 CC(C)C(C)(C)N CS-0665276 [0,0,0,0,1,0|2,0,1]=4 89 B6R0.7 CC(C)C(C)(C)O CS-0234265 [0,0,0,0,1,0|1,1,1]=4 90 B6R0.7 CC(O)C(C)(C)N CS-0272282 [0,0,0,0,1,0|1,0,2]=4 91 B6R0.7 CC(O)C(C)(C)O CS-0161391 [0,0,0,0,1,0|0,1,2]=4 92 B6R0.7 CS(=O)C(C)(C)C CS-0445959 [0,0,0,0,1,0|2,0,0]=3 93 B8R0.29 CC(=O)CNS(C)(=O)=O CS-0772432 [0,0,0,0,0,1|2,1,0]=4 94 B8R0.29 CC(=O)CSC(C)(C)C CS-0258461 [0,0,0,0,0,1|1,0,0]=2 95 B8R0.29 CC(=O)NCC(F)(F)F CS-0225876 [0,0,0,0,0,1|3,0,0]=4 96 B8R0.29 CC(=O)OC[Si](C)(C)C CS-0186200 [0,0,0,0,0,1|1,1,0]=3 97 B8R0.29 CC(=O)ONC(C)(C)C CS-0187596 [0,0,0,0,0,1|2,0,0]=3 98 B8R0.29 CC(C)(C)NCC(N)=O CS-0230430 [0,0,0,0,0,1|2,0,0]=3 99 B8R0.29 CC(C)(C)SCC(=O)O CS-0308771 [0,0,0,0,0,1|2,0,0]=3 100 B8R0.29 CC(C)(C)\C=C\C(=O)O CS-0261336 [0,0,0,0,0,1|2,0,1]=4 101 B8R0.29 CC(C)(N)CCC(=O)O CS-0714446 [0,0,0,0,0,1|2,0,0]=3 102 B8R0.29 CC(C)(O)C#CC(=O)O CS-0244851 [0,0,0,0,0,1|1,1,1]=4 103 B8R0.29 CC(C)=CC[Si](C)(C)C CS-0246746 [0,0,0,0,0,1|2,1,0]=4 104 B8R0.29 CC(C)CCC(C)(C)O CS-0274130 [0,0,0,0,0,1|1,1,1]=4 105 B8R0.29 CC(C)CNC(C)(C)C CS-0714185 [0,0,0,0,0,1|2,0,1]=4 106 B8R0.29 CC(O)COC(C)(C)C CS-0071820 [0,0,0,0,0,1|1,0,2]=4 107 B5R0.1 C=C(C)CNC CS-0162572 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 CC(C)CCN CS-0214104 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.1 CCCC(=O)[O-] CS-0188375 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 CCCC(C)N CS-0216448 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.1 CCCS(=O)[O-] CS-0298073 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 CCOC(C)=S CS-0265613 [2,0,0,0,0,0|1,1,0]=4 113 B5R0.1 CC\N=C(\C)O CS-W011352 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.1 CNCC(C)=O CS-0656412 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 CNCC(C)C CS-0252120 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 CNOC(C)=O CS-0449138 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 COCC(C)Br CS-0139276 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 COCC(C)N CS-0148794 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 COCC(N)=O CS-0186655 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 CONC(C)=O CS-0235532 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 CS(=O)CCN CS-0217217 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 CSCC(C)=O CS-0206376 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.1 C\C=C\C(C)O CS-0187943 [2,0,0,0,0,0|0,1,1]=4 124 B5R0.1 NCCC(=O)[O-] CS-0771386 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.4 CC(C)(C)CCl CS-0272708 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.4 CC(C)(N)CN CS-0217342 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.4 CC(C)(O)CN CS-0171835 [2,0,0,0,0,0|1,1,0]=4 128 B5R0.4 CC(C)(S)CO CS-0159069 [2,0,0,0,0,0|0,0,1]=3 129 B5R0.4 CCC(C)(C)I CS-0238650 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.2 C=CC(=O)OC(C)C CS-0524531 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.2 C=CC(C)CC(=O)O CS-0243291 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.2 CC(=O)CC(C)C#N CS-0241518 [1,1,0,0,0,0|0,0,1]=3 133 B7R0.2 CC(C)CC(=N)NO CS-0251439 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.2 CC(C)CC(O)CN CS-0262435 [1,1,0,0,0,0|0,0,2]=4 135 B7R0.2 CC(C)CC(O)CN CS-0274062 [1,1,0,0,0,0|0,0,2]=4 136 B7R0.2 CC(C)NC(=O)CN CS-0454851 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.2 CC(CN)CC(=O)O CS-0020588 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.2 CCC(C)CC(=N)N CS-0257477 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.2 CCC(C)NC(N)=O CS-0221509 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.2 CCC(N)CC(=O)O CS-0172209 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.2 CCN(C)CC(C)=O CS-0687773 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.2 CNC(=O)CC(C)=O CS-0214968 [1,1,0,0,0,0|0,1,1]=4 146 B7R0.2 COC(=O)CC(C)N CS-0147335 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.2 COC(=O)CC(C)O CS-0161084 [1,1,0,0,0,0|0,1,0]=3 148 B7R0.2 COC(=O)CN(C)C CS-0201680 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.2 COC(=O)CN(C)C CS-0361918 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.2 COC(=O)CS(C)=O CS-0231490 [1,1,0,0,0,0|1,1,0]=4 151 B7R0.2 COC(C)CC(=O)O CS-0216817 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.2 CSC(C)CC(=O)O CS-0224328 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.2 C\C(CC(C)C)=N/O CS-0504213 [1,1,0,0,0,0|0,0,1]=3 154 B7R0.2 NCC(N)CC(=O)O CS-0260960 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.2 NCC(O)CC(=O)O CS-0013138 [1,1,0,0,0,0|1,1,0]=4 156 B7R0.16 CC(=O)C(=O)N(C)C CS-0714075 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.16 CC(C)C(=O)C(=O)[O-] CS-0205398 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.16 CC(C)C(N)C(C)C CS-0154331 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.16 CC(C)C(N)C(N)=O CS-0312424 [1,1,0,0,0,0|1,0,0]=3 160 B7R0.16 CC(C)C(S)C(=O)O CS-0222512 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.16 CC(C)[C@H](N)C(=O)O CS-0201920 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.16 CC(O)C(N)C(=O)O CS-0154977 [1,1,0,0,0,0|1,1,0]=4 163 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0221986 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0201886 [1,1,0,0,0,0|1,1,0]=4 165 B7R0.16 C[C@H](C(N)=O)N(C)C CS-0757954 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.8 C=CCNC(C)(C)C CS-0621809 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.8 C=CCNC(C)(C)C CS-1023039 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.8 CC(C)(C)CCCN CS-0262569 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.8 CC(C)(C)CCCO CS-0233547 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.8 CC(C)(O)CCCBr CS-0121094 [1,1,0,0,0,0|0,1,1]=4 171 B7R0.8 CC(C)(O)CCCN CS-0154609 [1,1,0,0,0,0|0,1,1]=4 172 B7R0.8 CC(C)(O)CCCO CS-0308278 [1,1,0,0,0,0|0,1,1]=4 173 B7R0.8 CCNCC(C)(C)C CS-0298656 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.8 CCNCC(C)(C)O CS-0342879 [1,1,0,0,0,0|0,1,1]=4 175 B7R0.11 C=CCC(C)(C)C#N CS-0662000 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.11 CCCC(C)(C)CO CS-0308552 [1,1,0,0,0,0|0,1,1]=4 177 B7R0.11 CCCC(C)(O)CN CS-0260560 [1,1,0,0,0,0|0,1,1]=4 178 B7R0.11 COCC(C)(C)C#N CS-0233747 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.11 COCC(C)(C)CN CS-0215038 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.11 COCC(C)(C)CN CS-0215084 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.11 COCC(C)(N)CN CS-0261159 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.11 COCC(C)(N)CO CS-0221917 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.14 CCC(O)C(C)(C)C CS-0132258 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.14 CNC(C)C(C)(C)C CS-0272281 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.13 CC(Br)(CBr)C(=O)O CS-0215037 [0,1,0,0,1,0|2,0,0]=4 186 B7R0.13 CC(C)(C#N)C(N)=O CS-0234174 [0,1,0,0,1,0|2,0,0]=4 187 B7R0.13 CC(C)(CN)C(=O)O CS-0342863 [0,1,0,0,1,0|2,0,0]=4 188 B7R0.13 CC(N)(CO)C(=O)O CS-W013589 [0,1,0,0,1,0|2,0,0]=4 189 B7R0.13 CCC(C)(Br)C(=O)O CS-0257663 [0,1,0,0,1,0|2,0,0]=4 190 B7R0.13 CCC(C)(C)C(N)=O CS-0236614 [0,1,0,0,1,0|2,0,0]=4 191 B7R0.13 CCC(C)(N)C(=O)O CS-0245856 [0,1,0,0,1,0|2,0,0]=4 192 B7R0.13 CCC(C)(N)C(=O)O CS-0311817 [0,1,0,0,1,0|2,0,0]=4 193 B7R0.13 CCC(C)(N)C(N)=O CS-0295504 [0,1,0,0,1,0|2,0,0]=4 194 B7R0.13 CC[C@](C)(N)C(=O)O CS-0206584 [0,1,0,0,1,0|2,0,0]=4 195 B7R0.13 COC(C)(C)C(N)=O CS-0523551 [0,1,0,0,1,0|1,1,0]=4 196 B7R0.13 CSC(C)(C)C(=O)O CS-0245211 [0,1,0,0,1,0|1,0,0]=3 197 B9R0.10 CC(=O)CC(=O)C(C)(C)C CS-W018289 [0,1,0,0,0,1|1,0,0]=3 198 B9R0.10 CC(C)(C)C(N)CC(=O)O CS-0145802 [0,1,0,0,0,1|2,0,0]=4 199 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O CS-0038704 [0,1,0,0,0,1|2,0,0]=4 200 B9R0.10 CS(=O)CC(N)C(C)(C)C CS-0225857 [0,1,0,0,0,1|2,0,0]=4 201 B9R0.21 CC(C)(C)CNC(=O)CCl CS-0246336 [0,1,0,0,0,1|1,0,0]=3 202 B9R0.21 COC(=O)CSC(C)(C)C CS-0230561 [0,1,0,0,0,1|1,0,0]=3 203 B9R0.57 CC(C)(C)CC(=O)C(=O)O CS-0451466 [0,1,0,0,0,1|2,0,0]=4 204 B9R0.57 CC(C)(C)CC(N)C(=O)O CS-0223358 [0,1,0,0,0,1|2,0,0]=4 205 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O CS-0053492 [0,1,0,0,0,1|2,0,0]=4 206 B9R0.64 CCC(C)(C)OCC(=O)O CS-0242489 [0,1,0,0,0,1|2,0,0]=4 207 B9R0.22 CC(C)(CO)NC(=O)CCl CS-0207989 [0,2,0,0,0,0|1,1,0]=4 208 B9R0.22 CCC(C)(C)NC(=O)CCl CS-0215335 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.25 COC(=O)C(N)C(C)(C)C CS-0519373 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O CS-0217549 [0,2,0,0,0,0|0,1,0]=3 211 B9R0.44 CC(C)(C)NC(=O)CC#N CS-0154601 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.44 CC(C)(C)NC(=O)CCCl CS-0321565 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.44 CCOC(=O)CC(C)(C)N CS-0342420 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.44 CCOC(=O)CC(C)(F)F CS-0371522 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.44 CNCC(=O)NC(C)(C)C CS-0233721 [0,2,0,0,0,0|2,0,0]=4 216 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C CS-0903826 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.11 CC(=O)NC(C)(C)C(=O)O CS-0216989 [0,2,0,0,0,0|1,1,0]=4 218 B7R1.2 CC1CC(=O)NN1 CS-0242958 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.2 CC1CCC(=O)N1 CS-0046659 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.2 CC1CCC(O)C1 CS-0107204 [1,0,0,1,0,0|0,0,2]=4 221 B7R1.2 CC1CNC(=O)N1 CS-0040666 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.2 CC1CNC(=O)O1 CS-0308136 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.2 CN1CCC(=O)C1 CS-0043579 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.2 NC1CNC(=O)C1 CS-0051034 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.2 O=C1CC(O)CO1 CS-W013700 [1,0,0,1,0,0|1,1,0]=4 227 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.16 CC1(C)CC(N)C1 CS-0102276 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.20 CC(=O)CC1CC1 CS-0342620 [1,0,0,1,0,0|0,0,0]=2 230 B7R1.20 CC(N)CC1CC1 CS-0567825 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.20 NC(=O)CC1CC1 CS-0055986 [1,0,0,1,0,0|1,0,0]=3 232 B7R1.14 CC1(Br)CCCC1 CS-0309479 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.14 CC1(N)CCOC1 CS-0051244 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.21 CCCC1(N)CC1 CS-0260627 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.21 COCC1(N)CC1 CS-0088505 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.19 CC1(C(N)=O)CC1 CS-W021360 [0,0,0,1,1,0|2,0,0]=4 237 B7R1.19 NC(=O)C1(F)CC1 CS-0610597 [0,0,0,1,1,0|2,0,0]=4 238 B7R1.19 NC(=O)C1(N)CC1 CS-0052639 [0,0,0,1,1,0|2,0,0]=4 239 B9R1.10 C=C1CCC(C)(C)CC1 CS-0225880 [0,0,0,1,0,1|2,0,0]=4 240 B9R1.10 CC1(C)COC(=O)OC1 CS-0206961 [0,0,0,1,0,1|2,0,0]=4 241 B9R1.10 C[N+]1(C)CCC(=O)CC1 CS-0309093 [0,0,0,1,0,1|2,0,0]=4 242 B9R1.10 O=C1CCC(F)(F)CN1 CS-0050735 [0,0,0,1,0,1|2,0,0]=4 243 B9R1.164 CC(=O)C1CC(F)(F)C1 CS-0052899 [0,0,0,1,0,1|2,0,0]=4 244 B9R1.164 CC1(F)CC(C(=O)O)C1 CS-0054535 [0,0,0,1,0,1|2,0,0]=4 245 B9R1.164 CC1(O)CC(C(=O)[O-])C1 CS-0184843 [0,0,0,1,0,1|1,1,0]=4 246 B9R1.164 C[C@]1(O)C[C@@H](C(=O)[O-])C1 CS-0184604 [0,0,0,1,0,1|1,1,0]=4 247 B9R1.66 CC1(C)CCNC(=O)C1 CS-0727663 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.66 C[C@@]1(O)CCOC(=O)C1 CS-0113822 [0,1,0,1,0,0|0,1,0]=3 249 B9R1.111 CC1(C(N)C(=O)O)CC1 CS-0055772 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.38 CC1(C)CC(=O)CC1=O CS-0698099 [0,1,0,1,0,0|0,1,0]=3 251 B9R1.38 CC1(C)CC(=O)NC1=O CS-0153765 [0,1,0,1,0,0|1,1,0]=4 252 B9R1.38 CC1NC(=O)CC1(C)C CS-0224884 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.125 CC1(C#N)CCC(=O)N1 CS-0225151 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.171 NC(=O)CC1(N)CCC1 CS-0230329 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.171 NC(=O)CC1(N)COC1 CS-0698197 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.171 NC1(CC(=O)O)CCC1 CS-0052330 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.171 NC1(CC(=O)O)CCC1 CS-0185074 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.171 NC1(CC(=O)O)COC1 CS-0057769 [0,1,0,1,0,0|2,0,0]=4 259 B9R2.139 O=C1CC2(CC2)CO1 CS-0050415 [0,0,0,2,0,0|2,0,0]=4 260 B5R0.5 CC(=S)N(C)C CS-0187562 [1,0,0,0,1,0|1,1,0]=4 261 B5R0.5 CC(C)C(=N)N CS-0183518 [1,0,0,0,1,0|2,0,0]=4 262 B5R0.5 CC(C)C(=O)[O-] CS-0111016 [1,0,0,0,1,0|1,0,0]=3 263 B5R0.5 CC(N)C(N)=O CS-0036447 [1,0,0,0,1,0|2,0,0]=4 264 B5R0.5 CC(O)C(=O)O CS-0945561 [1,0,0,0,1,0|1,1,0]=4 265 B5R0.5 C[C@@H](O)C(=O)[O-] CS-0236856 [1,0,0,0,1,0|1,1,0]=4 266 B7R0.6 C=C(C)COC(C)=O CS-0187450 [1,0,0,0,0,1|0,0,2]=4 267 B7R0.6 CC(=O)NN=C(C)C CS-M2558 [1,0,0,0,0,1|1,0,1]=4 268 B7R0.6 CC(=O)NNC(C)C CS-M2559 [1,0,0,0,0,1|1,0,0]=3 269 B7R0.6 CC(=O)ON=C(C)C CS-0548323 [1,0,0,0,0,1|1,0,1]=4 270 B7R0.6 CC(C)C#CC(=O)O CS-0240271 [1,0,0,0,0,1|1,0,1]=4 271 B7R0.6 CC(C)CCC(=N)N CS-0695415 [1,0,0,0,0,1|2,0,0]=4 272 B7R0.6 CC(C)CCC(C)Br CS-0669437 [1,0,0,0,0,1|1,0,1]=4 273 B7R0.6 CC(C)CNC(=N)O CS-W009543 [1,0,0,0,0,1|1,0,1]=4 274 B7R0.6 CC(C)CNC(C)C CS-0246638 [1,0,0,0,0,1|1,0,1]=4 275 B7R0.6 CC(C)NCC(=O)O CS-0246606 [1,0,0,0,0,1|1,0,0]=3 276 B7R0.6 CC(N)CCC(=O)O CS-0262263 [1,0,0,0,0,1|2,0,0]=4 277 B7R0.6 CC(O)CNC(C)C CS-0664874 [1,0,0,0,0,1|0,0,2]=4 278 B7R0.6 CC(O)COC(C)C CS-0504752 [1,0,0,0,0,1|0,0,2]=4 279 B7R0.6 CN(C)CCC(=O)O CS-0098123 [1,0,0,0,0,1|2,0,0]=4 280 B7R0.6 CN(C)CCC(N)=O CS-0231943 [1,0,0,0,0,1|2,0,0]=4 281 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [1,0,0,0,0,1|2,0,0]=4 282 B7R0.6 C[S+](C)CCC(=O)[O-] CS-0449826 [1,0,0,0,0,1|2,0,0]=4