0 B7R0.3 C#CCNC(=O)CBr CS-0308724 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C#CCNC(=O)CC CS-0225175 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 C#CCNC(=O)CCl CS-0207443 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C#CCNC(=O)OC CS-0262100 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C#CCOC(=O)CC CS-0464619 [0,0,0,0,0,0|0,1,2]=3 5 B7R0.3 C=CCCC(=O)CC CS-0253493 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.3 C=CCCC(=O)NC CS-0666768 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 C=CCNC(=O)CCl CS-0309272 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 C=CCOC(=O)C=C CS-0167369 [0,0,0,0,0,0|0,1,2]=3 9 B7R0.3 CCC(=O)NCCN CS-0697791 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.3 CCC(=O)NCCO CS-0449194 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.3 CCCNC(=O)CBr CS-0240203 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.3 CCCNC(=O)CN CS-0454285 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.3 CCCOC(=O)CN CS-0727430 [0,0,0,0,0,0|1,1,2]=4 14 B7R0.3 CNC(=O)CCCCl CS-0249742 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 CNC(=O)CCCN CS-0207685 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.3 CNC(=O)OCCO CS-0075093 [0,0,0,0,0,0|2,1,1]=4 17 B7R0.3 CNCCC(=O)NC CS-0217040 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.3 CNCCC(=O)OC CS-0454555 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.3 C\C=C\CC(=O)OC CS-0185645 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.3 N#CCNC(=O)CCl CS-0244588 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.3 N#CCNC(=O)CN CS-0305866 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 O=C(CCl)NCCCl CS-0715480 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 C(C)=CC(=O)CC CS-W013723 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.1 CCCC(=O)CCl CS-0252325 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 CCNC(=O)CC CS-0205055 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.1 CCNC(=O)CCl CS-0037573 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 CCNC(=O)CI CS-0258404 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 CCNC(=O)CN CS-0464992 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 CCNC(=O)CO CS-0239967 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCOC(=N)CC CS-0047019 [1,0,0,0,0,0|1,1,1]=4 31 B6R0.1 CCS(=O)CCCl CS-0697603 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.1 CCSC(=O)CC CS-0313626 [1,0,0,0,0,0|0,0,1]=2 33 B6R0.1 CNC(=O)CCN CS-0665982 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CNC(=O)COC CS-0243458 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 CNCC(=O)NC CS-0039124 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CNCC(=O)NC CS-0213249 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 COC(=O)\C=C/Br CS-0668651 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.1 COC(=O)\C=C\Br CS-0694059 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 C=CCCC(C)Br CS-0253431 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 C=CCC[C@@H](C)O CS-0179239 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.4 C=CCC[C@H](C)O CS-0246373 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 C=C\C=C\C(=O)O CS-0199455 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CC(=O)CCCBr CS-0103669 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CC(=O)NCC#N CS-0514945 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 CC(=O)NCCN CS-W013694 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(=O)OCC#N CS-0248523 [1,0,0,0,0,0|1,1,1]=4 47 B6R0.4 CC(=O)SCCN CS-0256575 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.4 CC(=O)SCCN CS-0680538 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.4 CSCOC(C)=O CS-0316444 [1,0,0,0,0,0|1,1,1]=4 50 B6R0.6 C=CCCCCCl CS-0267298 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 C=CCCCCN CS-0769784 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 C=CCSCCN CS-0252157 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCSCCO CS-0358874 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.6 CC\C=C/CCBr CS-0700616 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.1 C=CCNC(=O)CC#N CS-0218551 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.1 C=CCNC(=O)CCCl CS-0339530 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.1 CCCNC(=O)CCN CS-0250637 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.1 CCCNC(=O)CNC CS-0246714 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.1 CCCOC(=O)CCN CS-0258841 [0,1,0,0,0,0|0,1,2]=4 60 B8R0.1 CCNC(=O)NCCO CS-0258450 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.1 CCOC(=O)CCOC CS-0217247 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.1 CCOC(=O)NCCCl CS-0151524 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.1 CCOC(=O)NCCO CS-0719448 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.3 C=CC[C@@H](N)C(=O)OC CS-0342153 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.3 C=CC[C@H](N)C(=O)OC CS-0342517 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.6 CCCCNC(=O)CC CS-0465067 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.6 COC(=O)CSCCN CS-0258526 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.8 C=CCOC(=O)C(C)O CS-0238569 [0,1,0,0,0,0|0,1,0]=2 69 B8R0.8 C=CCOC(=O)[C@H](C)N CS-0436836 [0,1,0,0,0,0|0,1,0]=2 70 B8R0.8 C=CCSC(=S)N(C)C CS-0449794 [0,1,0,0,0,0|1,1,0]=3 71 B8R0.8 CC(C)C(=O)NCCN CS-0258564 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.8 CC(O)C(=O)NCCO CS-0153945 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.8 CCCCC(=O)[C@H](C)N CS-0152397 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.8 CCCNC(=O)C(C)Cl CS-0241506 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.8 CCCNC(=O)C(C)N CS-0231050 [0,1,0,0,0,0|1,0,2]=4 76 B8R0.8 CCCOC(=O)C(C)Cl CS-0263294 [0,1,0,0,0,0|0,1,2]=4 77 B8R0.8 CCCOC(=O)[C@H](C)N CS-0538737 [0,1,0,0,0,0|0,1,2]=4 78 B8R0.8 CCCOC(=O)[C@H](C)O CS-0238611 [0,1,0,0,0,0|0,1,2]=4 79 B8R0.8 COCCC(=O)C(C)C CS-0261562 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.9 CCC(=O)NCC(C)C CS-0152594 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.9 CCS(=O)CCC(=O)O CS-0334302 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.9 CC\C(C)=C\CC(=O)O CS-W022219 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.9 CNC(=O)CCC(=O)O CS-0231377 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.9 NCC(=O)CCC(=O)O CS-1045786 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.9 O=C(O)CNC(=O)CCl CS-0201686 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.19 C=CC(=O)NC(=O)NC CS-0245062 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.1 CCC1=CC(Br)=CS1 CS-0241329 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.1 CCC1=NC(Br)=CS1 CS-0196562 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.1 CCC1CCC(=O)C1 CS-0206422 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.1 N#CC1CCC(=O)C1 CS-0035459 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.1 O=C1CCC(CI)N1 CS-0511747 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.1 O=C1CC[C@H](CO)O1 CS-0046919 [0,0,0,1,0,0|1,1,1]=4 93 B8R1.2 COC1=CCC=CC1 CS-0204293 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.3 C=C1CCC(=O)CC1 CS-0465068 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.3 CC1=NNC(=O)CC1 CS-1055591 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.3 O=C1CCC(=O)NC1 CS-0009359 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.3 O=C1CCC(Br)CC1 CS-0139183 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.5 CC1=CCCCC1=O CS-0206231 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.5 CC1C=NC=NC1=O CS-0208906 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.5 CC1CCCOC1=O CS-0440412 [0,0,0,1,0,0|0,1,2]=4 102 B8R1.5 CC1CSCCC1=O CS-0152667 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.5 CC1SCCNC1=O CS-0006425 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.5 O=C1N=CC=CC1I CS-1032454 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.13 O=C1CCC1CCCl CS-0474223 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.22 O=C1CCOCCO1 CS-0205374 [0,0,0,1,0,0|1,1,1]=4 107 B8R1.50 CC1=C(C)C(=O)CC1 CS-0253128 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.50 CN1C(=O)COC1=O CS-0260018 [0,0,0,1,0,0|2,1,0]=4 109 B8R1.50 CN1C(=O)CSC1=S CS-0051265 [0,0,0,1,0,0|2,1,0]=4 110 B5R0.1 C=CNC(C)=O CS-0167831 [2,0,0,0,0,0|1,0,0]=3 111 B5R0.1 CNCC(C)=O CS-0656412 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.1 CSCC(C)=O CS-0206376 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.2 C=CCCCN CS-0072974 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.2 C=CCNC=O CS-0239380 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.2 C=CCNCC CS-0251036 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.2 C=CCSSC CS-0204953 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.2 CCSCC#N CS-0261238 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.2 CCSCCBr CS-0232073 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.2 CC\C=C/CO CS-0074371 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 CC\C=C\CBr CS-0296500 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.3 C#CC(=O)CC CS-0262502 [2,0,0,0,0,0|0,0,2]=4 122 B5R0.3 C=CC(O)CC CS-0187602 [2,0,0,0,0,0|0,0,2]=4 123 B5R0.3 CCC(=O)SC CS-0511804 [2,0,0,0,0,0|0,0,0]=2 124 B5R0.3 CNC(=N)SC CS-0204572 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.3 CNC(=O)CO CS-0205237 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CNC(=O)OC CS-0211316 [2,0,0,0,0,0|1,1,0]=4 127 B5R0.3 NCC(=O)CN CS-0165855 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.3 O=C(CO)CO CS-W021282 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.2 CCS(=O)CC(=O)O CS-0237100 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.2 CNC(=O)CC(=N)N CS-0234548 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.2 CNC(=O)CC(C)=O CS-0214968 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.2 COC(=O)CC(N)=S CS-0246007 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.2 O=C(O)CC(=O)CCl CS-0360358 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.5 CC(C)C(=O)NCO CS-0657430 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.5 CC(C)C(=O)OCBr CS-0535236 [1,1,0,0,0,0|1,1,0]=4 136 B7R0.5 CC(C)C(=O)OCI CS-0163615 [1,1,0,0,0,0|1,1,0]=4 137 B7R0.5 CCNC(=O)C(C)Br CS-0666950 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.5 CCNC(=O)C(C)N CS-0245127 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.5 CCOC(=O)C(C)I CS-0187740 [1,1,0,0,0,0|0,1,1]=4 140 B7R0.5 CCOC(=O)[C@@H](C)F CS-0523947 [1,1,0,0,0,0|0,1,1]=4 141 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [1,1,0,0,0,0|0,1,1]=4 142 B7R0.7 C(I)=CC(=O)OCC CS-W006336 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.7 C=CCC(O)CCC CS-0236276 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.7 C=CCN(C)CCO CS-0504357 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.7 C=COC(=O)\C=C\C CS-0167852 [1,1,0,0,0,0|0,1,1]=4 146 B7R0.7 CCCC(=O)OCCl CS-0199093 [1,1,0,0,0,0|1,1,0]=4 147 B7R0.7 CCOC(=O)\C=C/Br CS-0188289 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.7 CCOC(=S)SCC CS-0238225 [1,1,0,0,0,0|0,1,1]=4 149 B7R0.10 CCC(=O)C(O)CC CS-W011231 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.10 CCC(=O)N(C)CC CS-0535260 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.12 C=CCN(CC)CC CS-0204947 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.4 C=CCCOC(C)=O CS-0206024 [1,1,0,0,0,0|0,1,0]=3 153 B7R0.4 C=CCNCC(=O)O CS-0170873 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.4 C=CCSCC(=O)O CS-0216467 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.4 CC(=O)SCCCCl CS-0232562 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.4 CC(=O)SCCCO CS-0570855 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.6 C=C(C)COC(C)=O CS-0187450 [1,1,0,0,0,0|0,1,0]=3 158 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.6 CC(=O)NCC(N)=O CS-0333417 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.1 C=CCSSCCC CS-W013303 [1,1,0,0,0,0|0,0,1]=3 162 B7R0.1 C\C=C/CCCCC CS-0205053 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.18 C=CCCC(=O)CCC=C CS-0541068 [0,2,0,0,0,0|1,0,0]=3 164 B9R0.18 C=CCNC(=O)NCC=C CS-0167985 [0,2,0,0,0,0|1,0,1]=4 165 B9R0.18 C=CCOC(=O)NCCO CS-0089073 [0,2,0,0,0,0|0,1,0]=3 166 B9R0.18 C=CCOC(=O)OCC=C CS-0204418 [0,2,0,0,0,0|0,1,1]=4 167 B9R0.34 C=CC(O)CC(=O)OCC CS-0215503 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.35 C=CCC(C)C(=O)OCC CS-0197267 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.48 CCCC(=O)NCC(N)=O CS-0737569 [0,2,0,0,0,0|2,0,0]=4 170 B9R0.48 CCNC(=O)CCC(=O)O CS-0258029 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.48 CCOC(=S)SCC(=O)O CS-0660938 [0,2,0,0,0,0|1,1,0]=4 172 B9R0.1 C=C(C)CCCC(=O)OC CS-0160700 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.1 COC(=O)CSCC(=O)O CS-0161691 [0,2,0,0,0,0|2,0,0]=4 174 B9R0.24 CCC(=O)CCC(=O)OC CS-0504000 [0,2,0,0,0,0|1,0,1]=4 175 B9R0.46 C=CCNCCC(=O)OC CS-0256457 [0,2,0,0,0,0|2,0,0]=4 176 B9R0.7 CC(N)C(=O)NCC(=O)O CS-0313735 [0,2,0,0,0,0|2,0,0]=4 177 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CS-0208689 [0,2,0,0,0,0|2,0,0]=4 178 B9R0.42 CCC(=O)NC(C)C(=O)O CS-0825091 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O CS-0263363 [0,2,0,0,0,0|2,0,0]=4 180 B7R1.1 CCC1=NC=CS1 CS-0205022 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.2 CC1CCC(=O)N1 CS-0046659 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.2 CN1CCC(=O)C1 CS-0043579 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [1,0,0,1,0,0|0,1,1]=4 184 B7R1.2 O=C1CNC(=S)S1 CS-0365176 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.3 CN1CC=CCC1 CS-0315628 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.4 CC1=CCOC1=O CS-0204540 [1,0,0,1,0,0|0,1,1]=4 187 B7R1.4 CN1C=CSC1=N CS-0221637 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.8 O=C1CCC1CO CS-0045469 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.22 CCC(=O)C1CC1 CS-0052572 [1,0,0,1,0,0|0,0,2]=4 190 B9R1.27 CCC1=C(C)CNC1=O CS-W002472 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.33 C=CCC1CCCC1=O CS-0215079 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.33 C=CCN1CCCC1=O CS-0068065 [0,1,0,1,0,0|1,0,0]=3 193 B9R1.11 CCC(=O)C1=NC=CS1 CS-0152648 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.11 CNC(=O)C1=CC=CS1 CS-0127299 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.11 COC(=O)C1C=CCN1 CS-0201829 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.11 O=C(CCl)C1=CC=CS1 CS-0239288 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.11 [NH3+]CC(=O)C1=CC=CS1 CS-0127472 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.35 NC(=O)C1CCC(=O)N1 CS-0130439 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.106 CC1(C)C(=O)CCC1=O CS-0153883 [0,1,0,1,0,0|2,0,0]=4