0 B7R0.6 CC(=O)NN=C(C)C CS-M2558 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NNC(C)C CS-M2559 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)ON=C(C)C CS-0548323 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)=NNC(N)=O CS-W011237 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(C)C#CC(=O)O CS-0240271 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 CC(C)CCC(=N)N CS-0695415 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 CC(C)CNC(=N)O CS-W009543 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 CC(C)NCC(=O)O CS-0246606 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 CC(N)CCC(=O)O CS-0262263 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.6 CC(O)CNC(C)C CS-0664874 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.6 CC(O)COC(C)C CS-0504752 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 CN(C)CCC(=O)O CS-0098123 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.6 CN(C)CCC(N)=O CS-0231943 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.6 CN(C)\C=C\[N+](=O)[O-] CS-0782187 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 C[S+](C)CCC(=O)[O-] CS-0449826 [0,0,0,0,0,0|1,0,3]=4 16 B7R0.6 NC(=O)\C=C/C(N)=O CS-0462052 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 O=C(O)\C=C/C(=O)O CS-0511153 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.6 O=C(O)\C=C/C(=O)O CS-0636152 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 O=C(O)\C=C/C(=O)O CS-0968758 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 O=C(O)\C=C\C(F)F CS-0564458 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.6 O=C([O-])\C=C\C(=O)O CS-0453897 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.4 C=C\C=C\C(=O)O CS-0199455 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CCCCC(=O)Br CS-0185634 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 CCCCC(N)=O CS-0206049 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 CCCNC(N)=O CS-0207277 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCNCC(=O)O CS-0250575 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 CCONC(C)=O CS-0017501 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CC\C=C\B(O)O CS-0179254 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CC\C=C\C(C)=O CS-0782888 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.4 CN(C)\C=C\C#N CS-0172395 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CO\N=C\C(=O)O CS-0232698 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 NCCCC(=O)O CS-0259736 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.4 O=C(O)CCCI CS-0045052 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.4 OB(O)\C=C\CCl CS-0162303 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.9 CC(C)CNC(=O)CBr CS-0695805 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.9 CC(C)CNC(=O)CCl CS-0116593 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.9 CC(C)CNC(=O)CN CS-0252470 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.9 CC(C)OC\C(N)=N\O CS-0249129 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.9 CCC(=O)NCC(C)C CS-0152594 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.9 CCC(C)CCC(=O)O CS-0199329 [0,1,0,0,0,0|0,0,2]=3 41 B8R0.9 CCC(C)OCC(=O)O CS-0223500 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.9 CCN(C)CCC(=O)O CS-0217514 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.9 CC\C(C)=C\CC(=O)O CS-W022219 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.9 CNC(=O)\C=C\C(=O)O CS-0526179 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.9 COC(=O)CCN(C)C CS-0204362 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.9 COC(=O)COC(C)C CS-0239634 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.9 COC(=O)\C=C\C(C)=O CS-0504754 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.9 COC(=O)\C=C\C(C)C CS-0113137 [0,1,0,0,0,0|0,0,0]=1 49 B8R0.9 COC(=O)\N=C\N(C)C CS-0665962 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.9 COC(C)COC(C)=O CS-0245967 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.9 C\C(CCC(C)C)=N/O CS-0525071 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.9 C\C=C(C)\C=C\C(=O)O CS-0368559 [0,1,0,0,0,0|0,0,1]=2 53 B8R0.9 O=C(O)\C=C/C(=O)O[Na] CS-0185679 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 C=C(NC(C)=O)C(=O)O CS-W011122 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 CC(=O)C(C)CC(C)C CS-0232005 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.23 CC(=O)CC(=O)C(C)C CS-0455351 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.23 CC(=O)CN(C)C(C)C CS-0714496 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.23 CC(C)C(C)CC(=O)O CS-0217045 [0,1,0,0,0,0|0,0,2]=3 59 B8R0.23 CC(C)CC(F)C(=O)O CS-0698889 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.23 CC(C)CC(N)C(N)=O CS-0091401 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.23 CC(C)CC(O)C(=O)O CS-0135968 [0,1,0,0,0,0|0,0,2]=3 62 B8R0.23 CC(C)CC(O)C(=O)[O-] CS-0570289 [0,1,0,0,0,0|0,0,3]=4 63 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0695657 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0135142 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.23 CC(C)NC(=O)C(=O)O CS-0154192 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [0,1,0,0,0,0|0,0,2]=3 67 B8R0.23 CC(CC(=O)O)N(C)C CS-0232067 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.23 CC(Cl)C(=O)NC(N)=O CS-0220185 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0199765 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0158222 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.23 C\C(=C/C(=O)O)C(C)C CS-0235038 [0,1,0,0,0,0|0,0,0]=1 72 B8R0.23 O=C(O)\C=C(/F)C(=O)O CS-0652245 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.29 CC(=O)CSC(C)(C)C CS-0258461 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.29 CC(=O)ONC(C)(C)C CS-0187596 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.29 CC(C)(C)NCC(N)=O CS-0230430 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.29 CC(C)(C)SCC(=O)O CS-0308771 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.29 CC(C)(C)\C=C\C(=O)O CS-0261336 [0,1,0,0,0,0|0,0,0]=1 78 B8R0.29 CC(C)(N)CCC(=O)O CS-0714446 [0,1,0,0,0,0|0,0,2]=3 79 B8R0.29 CC(C)(O)C#CC(=O)O CS-0244851 [0,1,0,0,0,0|0,0,2]=3 80 B8R1.3 CC1=NN=C(O)C=C1 CS-0050159 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.3 CC1=NN=C(O)C=C1 CS-0152721 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,0,0,1,0,0|1,0,0]=2 83 B8R1.3 CC1CNC(=O)CN1 CS-0050431 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.23 CC(C)C1CC(=O)N1 CS-0185257 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.23 O=C(O)C1CC(Br)C1 CS-0309921 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.35 NC(=O)NCC1CC1 CS-0248507 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.35 O=C(O)CNC1CC1 CS-0249120 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.35 O=C(O)\C=C\C1CC1 CS-0062478 [0,0,0,1,0,0|0,0,0]=1 93 B8R1.51 CC1(C)CNC(=O)C1 CS-M3328 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.51 CC1(C)CNC(=O)N1 CS-0496001 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.51 CC1(C)OCC(=O)O1 CS-W011234 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.77 CC1(C)CC1C(N)=O CS-0144916 [0,0,0,1,0,0|1,0,2]=4 97 B6R0.2 CC(=O)\C=C(\C)N CS-0369638 [0,0,0,0,1,0|2,0,1]=4 98 B6R0.2 CC(C)=CC(C)O CS-0006593 [0,0,0,0,1,0|1,0,2]=4 99 B6R0.2 CC(C)=C[N+](=O)[O-] CS-0447415 [0,0,0,0,1,0|1,0,2]=4 100 B6R0.2 CC(C)CC(=N)N CS-0122240 [0,0,0,0,1,0|2,0,1]=4 101 B6R0.2 CC(C)C[C@@H](C)O CS-0273778 [0,0,0,0,1,0|1,0,2]=4 102 B6R0.2 CC(C)SC(=N)N CS-0651375 [0,0,0,0,1,0|3,0,0]=4 103 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [0,0,0,0,1,0|1,0,1]=3 104 B6R0.2 CN(C)CC(N)=O CS-0159757 [0,0,0,0,1,0|2,0,1]=4 105 B6R0.2 CN(C)NC(N)=O CS-0450115 [0,0,0,0,1,0|3,0,0]=4 106 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [0,0,0,0,1,0|1,0,1]=3 107 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [0,0,0,0,1,0|1,0,2]=4 108 B6R0.2 C\C(Cl)=C\C(=O)O CS-0245046 [0,0,0,0,1,0|1,0,1]=3 109 B6R0.2 O=C(O)C=C(Cl)Cl CS-0215142 [0,0,0,0,1,0|2,0,1]=4 110 B8R0.28 CC(=O)CCOC(C)C CS-0274586 [0,0,0,0,0,1|1,0,2]=4 111 B8R0.28 CC(=O)CSCC(C)C CS-0259166 [0,0,0,0,0,1|1,0,2]=4 112 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,0,0,0,1|0,0,2]=3 113 B8R0.28 CC(C)COCC(=O)O CS-0183525 [0,0,0,0,0,1|0,0,2]=3 114 B8R0.28 CC(C)CSCC(=O)O CS-0248482 [0,0,0,0,0,1|0,0,2]=3 115 B8R0.28 CC(C)NCCC(=O)O CS-0244271 [0,0,0,0,0,1|0,0,2]=3 116 B8R0.28 CC(C)\C=C\CC(=O)O CS-0154348 [0,0,0,0,0,1|0,0,0]=1 117 B5R0.1 CCCC(=O)[O-] CS-0188375 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.1 CC\N=C(\C)O CS-W011352 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 C\C=C\C(C)O CS-0187943 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 C\C=C\C(N)=O CS-0336304 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.1 O=C(O)\C=C/Br CS-0696116 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 O=C(O)\C=C\Cl CS-0204258 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.2 CC\C=C/CO CS-0074371 [2,0,0,0,0,0|0,0,1]=3 124 B5R0.2 CC\C=C\CBr CS-0296500 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.2 C=CC(=O)OC(C)C CS-0524531 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.2 CC(C)CC(=N)NO CS-0251439 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.2 CCC(N)CC(=O)O CS-0172209 [1,1,0,0,0,0|0,0,2]=4 128 B7R0.2 CCS(=O)CC(=O)O CS-0237100 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [1,1,0,0,0,0|0,0,2]=4 130 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [1,1,0,0,0,0|0,0,2]=4 131 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [1,1,0,0,0,0|0,0,2]=4 132 B7R0.2 C\C(CC(C)C)=N/O CS-0504213 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.2 O=C(O)CC(=O)CCl CS-0360358 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.3 CCNCC(=O)OC CS-0342279 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.3 CCOCC(=O)OC CS-0260436 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.3 CC\C=C\C(=O)OC CS-0161339 [1,1,0,0,0,0|0,0,0]=2 137 B7R0.3 CC\C=C\C(=O)OC CS-0784965 [1,1,0,0,0,0|0,0,0]=2 138 B7R0.3 C\C=C\CC(=O)OC CS-0185645 [1,1,0,0,0,0|0,0,2]=4 139 B7R0.4 CCOCCC(=O)O CS-0216898 [1,1,0,0,0,0|0,0,2]=4 140 B7R0.4 CCSCCC(=O)O CS-0249654 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.4 COC\C=C\C(=O)O CS-0782179 [1,1,0,0,0,0|0,0,0]=2 142 B7R0.4 CSCCCC(=O)O CS-0261815 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.4 C\C=C/C=C/C(=O)O CS-0747017 [1,1,0,0,0,0|0,0,1]=3 144 B7R0.4 NCCCCC(=O)O CS-0214159 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.4 NCCOCC(=O)O CS-0162340 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.5 CC(C)C(=O)NCO CS-0657430 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.5 CCCC(Br)C(=O)O CS-0622324 [1,1,0,0,0,0|0,0,2]=4 148 B7R0.5 CCCC(O)C(=O)O CS-0062341 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.5 CCNC(=O)C(=O)O CS-0208820 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.5 CCOC(C)C(=O)O CS-0136065 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.5 CO\N=C(/C)C(=O)O CS-0698980 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.8 C(CO)=C[Si](C)(C)C CS-W013431 [1,1,0,0,0,0|0,1,1]=4 153 B7R0.8 C[N+](C)(C)\C=C\CO CS-0162686 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.9 CC(=O)CC(C)(C)N CS-0204783 [0,1,0,0,1,0|1,0,1]=4 155 B7R0.9 CC(C)(C)CC(N)=O CS-0248453 [0,1,0,0,1,0|1,0,1]=4 156 B7R0.9 C[Si](C)(C)CC(=O)O CS-W016542 [0,1,0,0,1,0|0,1,1]=4 157 B7R0.16 CC(=O)C(=O)N(C)C CS-0714075 [0,1,0,0,1,0|2,0,0]=4 158 B7R0.16 CC(C)C(=O)C(=O)[O-] CS-0205398 [0,1,0,0,1,0|0,0,1]=3 159 B7R0.16 CC(C)C(N)C(N)=O CS-0312424 [0,1,0,0,1,0|1,0,1]=4 160 B7R0.16 CC(C)C(S)C(=O)O CS-0222512 [0,1,0,0,1,0|0,0,1]=3 161 B7R0.16 CC(C)[C@H](N)C(=O)O CS-0201920 [0,1,0,0,1,0|0,0,1]=3 162 B7R0.16 CC(O)C(N)C(=O)O CS-0154977 [0,1,0,0,1,0|1,0,1]=4 163 B7R0.16 CN(C)C(=O)C(=O)O CS-W019571 [0,1,0,0,1,0|1,0,0]=3 164 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0221986 [0,1,0,0,1,0|1,0,1]=4 165 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0201886 [0,1,0,0,1,0|1,0,1]=4 166 B7R0.16 O=C(O)C(=O)C(Br)Br CS-0186733 [0,1,0,0,1,0|2,0,0]=4 167 B9R0.1 COC(=O)\C=C\CC(C)C CS-0062486 [0,1,0,0,0,1|0,0,0]=2 168 B9R0.1 COC(=O)\C=C\CN(C)C CS-0166767 [0,1,0,0,0,1|1,0,0]=3 169 B9R0.7 CC(C)CCC(N)C(=O)O CS-0261172 [0,1,0,0,0,1|0,0,2]=4 170 B9R0.7 CC(C)CNC(=O)C(=O)O CS-0067781 [0,1,0,0,0,1|0,0,1]=3 171 B9R0.7 CC(C)COC(C)C(=O)O CS-0248214 [0,1,0,0,0,1|0,0,2]=4 172 B9R0.7 CC(C)N(C)CCC(=O)O CS-0335219 [0,1,0,0,0,1|0,0,2]=4 173 B9R0.7 CC(N)C(=O)NCC(=O)O CS-0313735 [0,1,0,0,0,1|1,0,1]=4 174 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CS-0208689 [0,1,0,0,0,1|1,0,1]=4 175 B9R0.53 CC(C)CC(O)CC(=O)O CS-0571776 [0,1,0,0,0,1|0,0,2]=4 176 B9R0.21 COC(=O)CSC(C)(C)C CS-0230561 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.23 CCC(C)C(=O)CC(C)=O CS-0698875 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-0162444 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.23 COC(=O)C(=O)CC(C)C CS-0003854 [0,2,0,0,0,0|0,0,1]=3 180 B9R0.42 CCC(C)CC(O)C(=O)O CS-0295593 [0,2,0,0,0,0|0,0,2]=4 181 B9R0.42 COC(=O)CC(=O)C(C)F CS-0902580 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.42 COC(=O)CC(=O)N(C)C CS-0759851 [0,2,0,0,0,0|1,0,1]=4 183 B9R0.42 COC(=O)NC(=O)C(C)Cl CS-0347623 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.48 CCOC(=O)CNC(C)C CS-0309297 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.48 CCOC(=O)\C=C/C(=O)O CS-0151926 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.48 CCOC(=O)\C=C\C(C)=O CS-0151929 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.48 CCOC(=O)\C=C\C(F)F CS-0113942 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.64 CCC(C)(C)OCC(=O)O CS-0242489 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.10 CC(=O)CC(=O)C(C)(C)C CS-W018289 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.10 CC(C)(C)C(N)CC(=O)O CS-0145802 [0,2,0,0,0,0|0,0,2]=4 191 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O CS-0038704 [0,2,0,0,0,0|0,0,2]=4 192 B9R0.10 C\C(=C/C(=O)O)C(C)(C)C CS-0457846 [0,2,0,0,0,0|0,0,0]=2 193 B9R0.11 CC(C)CC(C)(C)C(=O)O CS-0230275 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.11 CC(C)CC(C)(N)C(=O)O CS-0207003 [0,2,0,0,0,0|0,0,2]=4 195 B9R0.11 CC(C)CC(C)(O)C(=O)O CS-0308626 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O CS-0186121 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CS-0120175 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.11 CC(C)S(=O)(=O)CC(=O)O CS-0250476 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.39 CC(C)CC(CN)C(=O)O CS-0416090 [0,2,0,0,0,0|0,0,2]=4 200 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0061016 [0,2,0,0,0,0|0,0,2]=4 201 B9R0.39 CNC(CC(C)C)C(=O)O CS-0682993 [0,2,0,0,0,0|0,0,2]=4 202 B9R0.57 CC(C)(C)CC(=O)C(=O)O CS-0451466 [0,2,0,0,0,0|0,0,1]=3 203 B9R0.57 CC(C)(C)CC(N)C(=O)O CS-0223358 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O CS-0053492 [0,2,0,0,0,0|0,0,2]=4 205 B9R0.77 CC(C)(O)\C=C\C(C)(C)O CS-0458096 [0,2,0,0,0,0|1,0,1]=4 206 B7R1.2 CC1CC(=O)NN1 CS-0242958 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.2 CC1CNC(=O)O1 CS-0308136 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [1,0,0,1,0,0|0,0,2]=4 209 B7R1.2 O=C1C=CC(=O)C1 CS-0204257 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.2 O=C1C=CC(=O)O1 CS-0504295 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.3 O=C1C=CCOC1 CS-0051593 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.14 O=S1(=O)C=CCC1 CS-0169407 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.18 [C@H]1(C(=O)O)CCN1 CS-0044037 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [0,0,0,1,1,0|1,0,1]=4 215 B9R1.35 CC(C)C1=CSC(=O)N1 CS-0232120 [0,0,0,1,0,1|1,0,0]=3 216 B9R1.35 CC(C)C1=CSC(N)=N1 CS-0263874 [0,0,0,1,0,1|2,0,0]=4 217 B9R1.35 CC(C)C1=NC(Br)=CS1 CS-W001553 [0,0,0,1,0,1|2,0,0]=4 218 B9R1.35 CC(C)C1=NC=C(Br)N1 CS-0215426 [0,0,0,1,0,1|2,0,0]=4 219 B9R1.35 CC(C)C1=NC=C(I)N1 CS-0671532 [0,0,0,1,0,1|2,0,0]=4 220 B9R1.35 CC(C)C1=NNC(=O)O1 CS-0102652 [0,0,0,1,0,1|1,0,0]=3 221 B9R1.35 CC(C)C1=NOC(O)=N1 CS-0259010 [0,0,0,1,0,1|2,0,0]=4 222 B9R1.35 CC1=NC(C(C)C)=CS1 CS-0057980 [0,0,0,1,0,1|2,0,0]=4 223 B9R1.35 CC1=NN(C(C)C)C=C1 CS-0274494 [0,0,0,1,0,1|2,0,0]=4 224 B9R1.35 NC1C=CC(C(=O)O)C1 CS-0221822 [0,0,0,1,0,1|1,0,0]=3 225 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0058611 [0,0,0,1,0,1|1,0,0]=3 226 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0157299 [0,0,0,1,0,1|1,0,0]=3 227 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0438275 [0,0,0,1,0,1|1,0,0]=3 228 B9R1.85 O=C(O)CCNC1CC1 CS-0244365 [0,0,0,1,0,1|0,0,2]=4 229 B9R1.85 O=C(O)CCNC1CC1 CS-0449311 [0,0,0,1,0,1|0,0,2]=4 230 B9R1.85 O=C(O)CNCC1CC1 CS-0346285 [0,0,0,1,0,1|0,0,2]=4 231 B9R1.10 CC1(C)COC(=O)OC1 CS-0206961 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.80 COC(=O)C#CC1CC1 CS-0243634 [0,1,0,1,0,0|0,0,2]=4 234 B9R1.80 COC(=O)CNC1CC1 CS-0073911 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.80 COC(=O)\C=C\C1CC1 CS-0380159 [0,1,0,1,0,0|0,0,0]=2 236 B9R1.84 O=C(O)COC1CCC1 CS-0183331 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.84 O=C(O)COC1CNC1 CS-0188088 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.84 O=C(O)\C=C\C1CCC1 CS-0029704 [0,1,0,1,0,0|0,0,0]=2 239 B9R1.95 COC1CC(C(=O)O)C1 CS-0051288 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 CS-0047777 [0,1,0,1,0,0|0,0,2]=4 241 B9R1.95 NCC1CC(C(=O)O)C1 CS-0045468 [0,1,0,1,0,0|0,0,2]=4 242 B9R1.38 CC1(C)CC(=O)CC1=O CS-0698099 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.38 CC1(C)CC(=O)NC1=O CS-0153765 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.112 C\C(=C/C1CC1)C(=O)O CS-0236205 [0,1,0,1,0,0|0,0,0]=2 245 B9R1.112 NC(CC1CC1)C(=O)O CS-0171563 [0,1,0,1,0,0|0,0,2]=4 246 B9R1.112 O=C(O)C(=O)NC1CC1 CS-0155380 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.137 C\C(=C/C(=O)O)C1CC1 CS-0212752 [0,1,0,1,0,0|0,0,0]=2 248 B9R1.164 CC1(F)CC(C(=O)O)C1 CS-0054535 [0,1,0,1,0,0|0,0,2]=4 249 B5R0.5 CC(C)C(=N)N CS-0183518 [0,0,0,0,2,0|2,0,0]=4 250 B5R0.5 CC(C)C(=O)[O-] CS-0111016 [0,0,0,0,2,0|0,0,1]=3 251 B5R0.5 CC(N)C(N)=O CS-0036447 [0,0,0,0,2,0|2,0,0]=4 252 B5R0.5 CC(N)[PH](=O)O CS-0877877 [0,0,0,0,2,0|2,0,0]=4 253 B5R0.5 CC(O)C(=O)O CS-0945561 [0,0,0,0,2,0|1,0,0]=3 254 B5R0.5 C[C@@H](O)C(=O)[O-] CS-0236856 [0,0,0,0,2,0|1,0,1]=4 255 B5R0.5 O=C(O)C(F)Cl CS-0266361 [0,0,0,0,2,0|2,0,0]=4 256 B9R0.55 CC(C)CCOCC(=O)O CS-0251874 [0,0,0,0,0,2|0,0,2]=4 257 B9R0.55 CC(C)CCSCC(=O)O CS-0251329 [0,0,0,0,0,2|0,0,2]=4 258 B9R0.55 CC(C)CNCCC(=O)O CS-0249769 [0,0,0,0,0,2|0,0,2]=4 259 B9R0.55 CC(C)CSCCC(=O)O CS-0248481 [0,0,0,0,0,2|0,0,2]=4 260 B9R0.55 CC(C)OCCCC(=O)O CS-0233297 [0,0,0,0,0,2|0,0,2]=4