0 B7R1.3 BrC1=CC=CC=N1 BBL027568 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 BrC1=CC=NC=C1 BBL009972 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 BrC1=CN=CC=C1 BBL027581 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 CC1=CC=NC=C1 BBL011459 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 ClC1=NC=CC=C1 BBL027569 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 FC1=CC=CC=N1 BBL010032 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.3 IC1=CC=NC=C1 BBL009973 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.3 NC1=CC=CC=N1 BBL011573 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.3 NN1CCCCC1 BBL027587 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.3 O=C1CCCCN1 BBL027557 [0,0,0,0,0,0|1,0,1]=2 10 B7R1.3 O=C1CCOCC1 BBL027597 [0,0,0,0,0,0|1,0,2]=3 11 B7R1.3 OC1=CC=NC=C1 BBL022970 [0,0,0,0,0,0|1,0,3]=4 12 B7R1.3 OC1=CN=CC=C1 BBL010946 [0,0,0,0,0,0|1,0,3]=4 13 B7R1.3 OC1=NC=CC=C1 BBL027571 [0,0,0,0,0,0|1,0,3]=4 14 B7R1.3 OC1CCCCC1 BBL013186 [0,0,0,0,0,0|0,0,4]=4 15 B7R1.3 SC1=NCCCN1 BBL027546 [0,0,0,0,0,0|2,1,1]=4 16 B6R1.1 C1=CN=NC=C1 BBL027585 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [0,1,0,0,0,0|1,0,2]=4 18 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [0,1,0,0,0,0|1,0,2]=4 19 B8R1.3 O=C1C=CC(=O)C=C1 BBL010327 [0,1,0,0,0,0|0,0,3]=4 20 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [0,1,0,0,0,0|0,0,3]=4 21 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,0,0,0|0,0,2]=3 22 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,0,0,0|0,0,2]=3 23 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,0,0,0|0,0,2]=3 24 B6R0.1 C=CC(=O)OCC BBL011497 [0,0,1,0,0,0|1,0,0]=2 25 B6R0.1 CCC\C(N)=N\O BBL005361 [0,0,1,0,0,0|3,0,0]=4 26 B6R0.1 CCOC(=O)CBr BBL027288 [0,0,1,0,0,0|2,0,1]=4 27 B6R0.1 CCOC(=O)CCl BBL012578 [0,0,1,0,0,0|2,0,1]=4 28 B6R0.1 CCOC(=O)CS BBL011508 [0,0,1,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(=O)NN BBL027647 [0,0,1,0,0,0|3,0,0]=4 30 B6R0.1 CNCC(=O)NC BBL030504 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.1 COC(=O)CCBr BBL027291 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.1 COC(=O)CCN BBL010085 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.1 COCC(=O)NN BBL013411 [0,0,1,0,0,0|3,0,0]=4 34 B6R0.4 C=CCCC(=O)O BBL027458 [0,0,1,0,0,0|1,0,1]=3 35 B6R0.4 C=CCNC(N)=O BBL011340 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.4 C=CCOC(=O)Cl BBL011109 [0,0,1,0,0,0|2,0,1]=4 37 B6R0.4 CC(=O)CCCCl BBL010617 [0,0,1,0,0,0|1,0,1]=3 38 B6R0.4 CC(=O)NCCN BBL027688 [0,0,1,0,0,0|2,0,1]=4 39 B6R0.4 CCCCC(=O)Cl BBL012216 [0,0,1,0,0,0|1,0,1]=3 40 B6R0.4 CCCCC(C)=O BBL011434 [0,0,1,0,0,0|0,0,2]=3 41 B6R0.4 CNCCC(N)=O BBL023425 [0,0,1,0,0,0|2,0,1]=4 42 B6R0.4 NCCCC(=O)O BBL008590 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.4 O=C(Cl)CCCCl BBL011409 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.6 CCCCN=C=O BBL027371 [0,0,1,0,0,0|1,0,2]=4 45 B6R0.6 CCCCOC=O BBL012218 [0,0,1,0,0,0|1,0,1]=3 46 B6R1.2 ClC1=CC=CS1 BBL027523 [0,0,0,0,1,0|2,0,1]=4 47 B6R1.2 NC1=CC=NN1 BBL008564 [0,0,0,0,1,0|3,0,0]=4 48 B6R1.2 NC1=NCCC1 BBL031757 [0,0,0,0,1,0|2,0,0]=3 49 B6R1.2 NC1=NCCS1 BBL000029 [0,0,0,0,1,0|3,0,0]=4 50 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,0,1,0|1,0,2]=4 51 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,0,1,0|0,0,0]=1 52 B6R1.2 O=C1CCSC1 BBL027522 [0,0,0,0,1,0|1,0,1]=3 53 B6R1.2 O=C1NC=NN1 BBL028622 [0,0,0,0,1,0|3,0,0]=4 54 B6R1.2 O=C1OC=CO1 BBL027517 [0,0,0,0,1,0|2,0,1]=4 55 B6R1.2 O=C1OCCO1 BBL011402 [0,0,0,0,1,0|2,0,0]=3 56 B6R1.2 SC1=NCCS1 BBL027511 [0,0,0,0,1,0|2,1,0]=4 57 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,0,0,1|1,0,2]=4 58 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,0,0,1|0,0,2]=3 59 B5R0.1 C=C(C)CCO BBL027415 [1,0,1,0,0,0|2,0,0]=4 60 B5R0.1 C=COC(C)=O BBL036266 [1,0,1,0,0,0|1,0,1]=4 61 B5R0.1 CC(=O)CCO BBL028076 [1,0,1,0,0,0|1,0,1]=4 62 B5R0.1 CC(C)=CCO BBL011665 [1,0,1,0,0,0|2,0,0]=4 63 B5R0.1 CCCC(=O)Cl BBL011417 [1,0,1,0,0,0|1,0,0]=3 64 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 CCOC(=O)Cl BBL011487 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.1 CNCC(=O)O BBL009707 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.1 CNCC(N)=O BBL011928 [1,0,1,0,0,0|2,0,0]=4 68 B5R0.1 COCC(=O)Cl BBL027308 [1,0,1,0,0,0|2,0,0]=4 69 B5R0.1 CSCC(C)=O BBL100878 [1,0,1,0,0,0|1,0,1]=4 70 B5R0.1 C\C=C\C(=O)Cl BBL011366 [1,0,1,0,0,0|1,0,0]=3 71 B5R0.1 C\C=C\C(=O)O BBL027395 [1,0,1,0,0,0|1,0,0]=3 72 B5R0.1 NC(=O)CCCl BBL011453 [1,0,1,0,0,0|2,0,0]=4 73 B5R0.1 NCCC(=O)O BBL037332 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.1 O=C(Cl)CCBr BBL011521 [1,0,1,0,0,0|2,0,0]=4 75 B5R0.1 O=C(O)CCCl BBL012215 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.2 CCCCC=O BBL027632 [1,0,1,0,0,0|0,0,1]=3 77 B5R0.3 C=CC(=O)OC BBL011432 [1,0,1,0,0,0|1,0,0]=3 78 B5R0.3 CCC(=O)CC BBL027755 [1,0,1,0,0,0|0,0,1]=3 79 B5R0.3 CCC(=O)NN BBL036933 [1,0,1,0,0,0|2,0,0]=4 80 B5R0.3 CCC(=O)NO BBL011342 [1,0,1,0,0,0|2,0,0]=4 81 B5R0.3 CNC(=O)NC BBL011513 [1,0,1,0,0,0|2,0,0]=4 82 B5R0.3 COC(=O)CO BBL009725 [1,0,1,0,0,0|2,0,0]=4 83 B5R0.3 COC(=O)CS BBL011360 [1,0,1,0,0,0|2,0,0]=4 84 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,1,1,0,0,0|2,0,0]=4 85 B7R0.2 CC(O)CC(=O)NN BBL008678 [0,1,1,0,0,0|2,0,0]=4 86 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,1,1,0,0,0|1,0,1]=4 87 B7R0.2 COC(=O)CC(C)C BBL011395 [0,1,1,0,0,0|1,0,1]=4 88 B7R0.3 CCCCC(=O)CC BBL011476 [0,1,1,0,0,0|0,0,2]=4 89 B7R0.3 CCCCC(=O)NN BBL027902 [0,1,1,0,0,0|2,0,0]=4 90 B7R0.3 CCOCC(=O)NN BBL023356 [0,1,1,0,0,0|2,0,0]=4 91 B7R0.3 CNC(=O)CCCN BBL022745 [0,1,1,0,0,0|1,0,1]=4 92 B7R0.3 CNCCC(=O)NC BBL023441 [0,1,1,0,0,0|1,0,1]=4 93 B7R0.3 COC(=O)CCCCl BBL011535 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.3 COC(=O)\C=C\CBr BBL011112 [0,1,1,0,0,0|1,0,0]=3 95 B7R0.3 CO\C=C\C(=O)OC BBL028237 [0,1,1,0,0,0|1,0,0]=3 96 B7R0.3 NNC(=O)CCCO BBL009673 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,1,1,0,0,0|1,0,0]=3 98 B7R0.5 CCNC(=O)C(=O)O BBL005118 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,1,1,0,0,0|1,0,1]=4 101 B7R0.5 CCOC(=O)C(N)=O BBL013006 [0,1,1,0,0,0|2,0,0]=4 102 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,1,1,0,0,0|1,0,1]=4 103 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,1,0,0,0|0,0,2]=4 104 B7R0.7 CCNC(=O)CCCl BBL037203 [0,1,1,0,0,0|1,0,1]=4 105 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,1,1,0,0,0|0,0,0]=2 106 B7R0.10 CNC(=O)C(=O)NC BBL012545 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.10 COC(=O)C(=O)OC BBL011507 [0,1,1,0,0,0|2,0,0]=4 108 B7R0.4 CCCCCC(C)=O BBL011381 [0,1,1,0,0,0|0,0,2]=4 109 B7R0.4 CCCCOC(=O)Cl BBL011392 [0,1,1,0,0,0|1,0,1]=4 110 B7R0.4 CCCOCC(=O)O BBL008506 [0,1,1,0,0,0|1,0,1]=4 111 B7R0.4 CCC\C=C/C(=O)O BBL029832 [0,1,1,0,0,0|1,0,0]=3 112 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [0,1,1,0,0,0|1,0,1]=4 113 B7R0.4 NCCCCC(=O)O BBL027702 [0,1,1,0,0,0|1,0,1]=4 114 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,1,1,0,0,0|0,0,0]=2 115 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [0,1,1,0,0,0|1,0,0]=3 116 B7R0.1 C=CCCCCCC BBL027759 [0,1,1,0,0,0|1,0,1]=4 117 B7R0.1 C=CCNCCC#N BBL023289 [0,1,1,0,0,0|1,0,1]=4 118 B7R1.1 O=CC1=CSC=C1 BBL012656 [0,1,0,0,1,0|1,0,1]=4 119 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,1,0,0,1,0|1,0,0]=3 120 B7R1.2 CC1COC(=O)O1 BBL027518 [0,1,0,0,1,0|2,0,0]=4 121 B7R1.2 NC1=CC(=O)CC1 BBL032125 [0,1,0,0,1,0|0,0,0]=2 122 B7R1.2 O=C1C=C(Cl)CC1 BBL032126 [0,1,0,0,1,0|0,0,0]=2 123 B7R1.2 O=C1CCC(=O)C1 BBL011146 [0,1,0,0,1,0|0,0,1]=3 124 B7R1.2 O=C1CNC(=O)N1 BBL013200 [0,1,0,0,1,0|2,0,0]=4 125 B7R1.2 O=C1CNC(=S)N1 BBL037427 [0,1,0,0,1,0|2,0,0]=4 126 B7R1.2 O=C1CNC(=S)S1 BBL029808 [0,1,0,0,1,0|2,0,0]=4 127 B7R1.4 NC1CCOC1=O BBL027998 [0,1,0,0,1,0|1,0,0]=3 128 B7R1.4 NC1CCSC1=O BBL028068 [0,1,0,0,1,0|1,0,0]=3 129 B7R1.4 NC1CONC1=O BBL016489 [0,1,0,0,1,0|2,0,0]=4 130 B7R1.14 O=S1(=O)C=CCC1 BBL012811 [0,1,0,0,1,0|1,0,0]=3 131 B7R1.14 O=S1(=O)CCCO1 BBL036695 [0,1,0,0,1,0|2,0,0]=4 132 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [0,1,0,0,1,0|1,0,1]=4 133 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,0,0,1|0,0,2]=4 134 B9R1.15 O=CC1CCCCC1=O BBL032651 [0,2,0,0,0,0|0,0,2]=4 135 B9R1.69 CC1CNC(=O)NC1=O BBL027888 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.34 CC1CC(=O)CC(=O)C1 BBL036984 [0,2,0,0,0,0|0,0,1]=3 137 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,2,0,0,0,0|1,0,0]=3 138 B7R1.22 NNC(=O)C1CC1 BBL008116 [0,0,1,1,0,0|2,0,0]=4 139 B5R1.1 C1=CNC=C1 BBL011520 [1,0,0,0,1,0|1,0,1]=4 140 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,0,0,0,0,2|0,0,2]=4