0 B7R0.3 CCCCC(=O)CC BBL011476 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.3 CCCCC(=O)NN BBL027902 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 CCOCC(=O)NN BBL023356 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CNC(=O)CCCN BBL022745 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.3 CNCCC(=O)NC BBL023441 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 CNCC\C(N)=N\O BBL035311 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.3 COC(=O)CCCCl BBL011535 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 COC(=O)\C=C\CBr BBL011112 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 COCC\C(N)=N\O BBL018147 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 CO\C=C\C(=O)OC BBL028237 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 NNC(=O)CCCO BBL009673 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C=CC(=O)OCC BBL011497 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 CCC\C(N)=N\O BBL005361 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCOC(=O)CBr BBL027288 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCOC(=O)CCl BBL012578 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CCOC(=O)CS BBL011508 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCOC(=O)NN BBL027647 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CNCC(=O)NC BBL030504 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 COC(=O)CCBr BBL027291 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 COC(=O)CCN BBL010085 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 COCC(=O)NN BBL013411 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 C=CCCC(=O)O BBL027458 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.4 CC(=O)CCCCl BBL010617 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CC(=O)NCCN BBL027688 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CCCCC(=O)Cl BBL012216 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 CCCCC(C)=O BBL011434 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.4 CN(C)CCCO BBL011401 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CNCCC(N)=O BBL023425 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 NCCCC(=O)O BBL008590 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 BrCCCCCBr BBL012205 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CCCCCCBr BBL012217 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.6 CCCCCCI BBL011465 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 CCCCCCN BBL011106 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.6 CCCCN=C=O BBL027371 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCCOC=O BBL012218 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCCNCCC BBL027756 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.6 CCOCCCN BBL027700 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.6 NCCCCCN BBL027704 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.1 CCCNC(=O)CC#N BBL016523 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.1 CCOC(=O)CCCCl BBL011514 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.1 CCOC(=O)CN=C=O BBL027369 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.1 N#CCC(=O)NCCO BBL016933 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.6 CCCCCC(=O)CC BBL011431 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.6 CCCCCC(=O)NN BBL014328 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.6 COC(=O)CCN=C=O BBL029020 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.6 COCCNC(=O)CN BBL030590 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.8 CNCCC(=O)N(C)C BBL031686 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.9 CC(C)CNC(=O)CN BBL031396 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.9 CC(O)CCC(=O)NN BBL018741 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.9 COC(=O)CCC(C)=O BBL011529 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.11 CCCCC(C=O)CC BBL010642 [0,1,0,0,0,0|0,0,1]=2 54 B8R0.11 CCN(CC)CCCN BBL009884 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.19 CCC(C)NC(=O)CCl BBL003704 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.19 COC(=O)CC(=O)CCl BBL027316 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.19 COC(=O)CC(=O)OC BBL011438 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.1 O=C1NCC(CCl)O1 BBL027510 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 BrCC1CCCCO1 BBL027774 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.2 CCC1CCCCN1 BBL100012 [0,0,0,1,0,0|1,0,1]=3 62 B8R1.2 ClCC1CCCCO1 BBL027598 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.3 CC1CCC(N)CC1 BBL036898 [0,0,0,1,0,0|1,0,1]=3 64 B8R1.3 CN1CCC(O)CC1 BBL012985 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.3 CN1CCN(N)CC1 BBL027562 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [0,0,0,1,0,0|1,0,1]=3 67 B8R1.5 CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|0,0,0]=1 68 B8R1.5 NC1CCCCC1N BBL027344 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.5 OC1CCCCC1O BBL027442 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.22 CN1CCCNCC1 BBL004956 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.38 NNC(=O)C1CCC1 BBL037010 [0,0,0,1,0,0|2,0,0]=3 75 B5R0.1 C=C(C)CCO BBL027415 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 CC(=O)CCO BBL028076 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.1 CCCC(=O)Cl BBL011417 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.1 CCCC(C)O BBL011460 [2,0,0,0,0,0|0,0,2]=4 79 B5R0.1 CCC[N+](=O)[O-] BBL011437 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 CCOC(=O)Cl BBL011487 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 CNCC(=O)O BBL009707 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.1 CNCC(N)=O BBL011928 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 COCC(=O)Cl BBL027308 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 CSCC(C)=O BBL100878 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.1 NC(=O)CCCl BBL011453 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.1 NCCC(=O)O BBL037332 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 O=C(Cl)CCBr BBL011521 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 O=C(O)CCCl BBL012215 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.2 BrCCCCBr BBL027293 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,0]=2 91 B5R0.2 CCCCCN BBL011398 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.2 CCNCCO BBL027409 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.2 CCOCCBr BBL013472 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 CNCCCN BBL011479 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.2 COCCCN BBL011597 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.2 NCCCCN BBL027703 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.3 CCC(=O)CC BBL027755 [2,0,0,0,0,0|0,0,0]=2 98 B5R0.3 CCC(=O)NN BBL036933 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.3 CCC(=O)NO BBL011342 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.3 CNC(=O)NC BBL011513 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.3 COC(=O)CO BBL009725 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.3 COC(=O)CS BBL011360 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.2 CC(C)CC(=O)NN BBL016229 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.2 CC(C)NC(=O)CN BBL030729 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.2 CC(O)CC(=O)NN BBL008678 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.2 COC(=O)CC(C)=O BBL011420 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.2 COC(=O)CC(C)C BBL011395 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.5 C=C(C)C(=O)OCC BBL011403 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.5 CCOC(=O)C(C)=O BBL027737 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.5 CCOC(=O)C(F)F BBL027798 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.7 CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|0,0,0]=2 113 B7R0.7 CCCC(N)CCC BBL003306 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.7 CCNC(=O)CCCl BBL037203 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.7 CCOC(=O)CC#N BBL012203 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.7 CCOC(=O)CNN BBL012499 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.7 C\C=C\C(=O)OCC BBL027753 [1,1,0,0,0,0|0,0,2]=4 118 B7R0.10 COC(=O)C(N)CO BBL028002 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.4 CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|0,0,0]=2 120 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.4 CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.4 NCCCCC(=O)O BBL027702 [1,1,0,0,0,0|1,0,0]=3 124 B7R0.6 CC(=O)CCC(=O)O BBL027404 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.6 CC(=O)CCC(C)=O BBL027731 [1,1,0,0,0,0|0,0,1]=3 126 B7R0.6 CC(=O)CCN(C)C BBL013551 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [1,1,0,0,0,0|0,0,2]=4 128 B7R0.6 CC(C)COC(=O)Cl BBL011424 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.6 CC(C)OCC(=O)O BBL031299 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.1 C=CCCCCCC BBL027759 [1,1,0,0,0,0|0,0,2]=4 131 B7R0.1 CCCCCCCI BBL027321 [1,1,0,0,0,0|0,0,1]=3 132 B7R0.1 NCCCCCCN BBL027705 [1,1,0,0,0,0|1,0,1]=4 133 B9R0.4 CNCCC(=O)NC(C)C BBL031766 [0,2,0,0,0,0|1,0,0]=3 134 B9R0.5 CCOC(=O)CCN=C=O BBL037671 [0,2,0,0,0,0|1,0,1]=4 135 B9R0.8 CCCCN(C)C(=O)CCl BBL006028 [0,2,0,0,0,0|1,0,0]=3 136 B9R0.8 COC(=O)C(N)CCSC BBL010083 [0,2,0,0,0,0|1,0,0]=3 137 B9R0.18 CCCCC(=O)CCCC BBL011668 [0,2,0,0,0,0|0,0,0]=2 138 B9R0.34 CCOC(=O)CC(=O)CCl BBL027317 [0,2,0,0,0,0|1,0,1]=4 139 B9R0.34 COCC(=O)CC(=O)OC BBL027775 [0,2,0,0,0,0|1,0,1]=4 140 B9R0.34 COCC(C)NC(=O)CCl BBL034879 [0,2,0,0,0,0|2,0,0]=4 141 B9R0.35 CCOC(=O)C(=O)OCC BBL011413 [0,2,0,0,0,0|1,0,1]=4 142 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,2,0,0,0,0|0,0,1]=3 143 B9R0.23 COC(=O)C(N)CC(C)C BBL010084 [0,2,0,0,0,0|1,0,0]=3 144 B9R0.27 CCC(C)C(N)C(=O)OC BBL010092 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.1 COC(=O)CCNC(C)C BBL036837 [0,2,0,0,0,0|1,0,0]=3 146 B9R0.46 CCCCCCC(=O)NN BBL037406 [0,2,0,0,0,0|2,0,0]=4 147 B9R0.46 CCCCCCC(=O)OC BBL011469 [0,2,0,0,0,0|1,0,0]=3 148 B9R0.47 C=C(C)C(=O)OCCCC BBL011464 [0,2,0,0,0,0|0,0,1]=3 149 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [0,2,0,0,0,0|1,0,1]=4 150 B9R0.13 CCCCC(CC)C(=O)Cl BBL011414 [0,2,0,0,0,0|0,0,1]=3 151 B7R1.2 CC1CCC(=O)O1 BBL011475 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.2 CC1COC(=O)O1 BBL027518 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.2 O=C1CCC(=O)C1 BBL011146 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.3 NN1CCCCC1 BBL027587 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.3 O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,0]=3 156 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|1,0,0]=3 157 B7R1.3 OC1CCCCC1 BBL013186 [1,0,0,1,0,0|0,0,2]=4 158 B7R1.4 NC1CCOC1=O BBL027998 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.4 NC1CCSC1=O BBL028068 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.22 NNC(=O)C1CC1 BBL008116 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.7 CCCCC1CO1 BBL011099 [1,0,0,1,0,0|0,0,2]=4 162 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.18 O=C(O)C1CNC1 BBL101508 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.8 CCCC1CCCCN1 BBL022356 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.8 ClCCC1CCCCN1 BBL031438 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.8 OCCC1CCCCN1 BBL027554 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.15 CN1CCCCC1CO BBL027589 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.15 O=CC1CCCCC1=O BBL032651 [0,1,0,1,0,0|0,0,1]=3 169 B9R1.33 NCCN1CCCC1=O BBL029475 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.33 O=C1CCCN1CCCl BBL028309 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,1,0,1,0,0|0,0,0]=2 172 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.11 CCC(C)C1CCCN1 BBL020739 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.11 CNC(=O)[C@@H]1CCCN1 BBL033606 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.11 NCC(=O)N1CCCC1 BBL030890 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.11 NNC(=O)C1CCCC1 BBL017250 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.11 NNC(=O)C1CCCO1 BBL029618 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.1 CCC1CCC(N)CC1 BBL017866 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.1 CCN1CCC(=O)CC1 BBL011452 [0,1,0,1,0,0|0,0,0]=2 180 B9R1.1 CN1CCC(=NO)CC1 BBL025637 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.1 CN1CCC(CN)CC1 BBL038076 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.6 CC(C)C1CCCCN1 BBL021290 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.6 CC(N)C1CCCCN1 BBL037755 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.40 CC1(C)NCCNC1=O BBL013287 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.133 CNC1CCS(=O)(=O)C1 BBL028057 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.133 NCC1CCS(=O)(=O)C1 BBL034860 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.138 CC1(C)COC(=O)C1O BBL005601 [0,1,0,1,0,0|2,0,0]=4