0 B6R0.2 CC(=O)NC(=N)N BBL013469 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.2 CC(=O)NC(N)=S BBL011418 [0,0,0,0,0,0|3,1,0]=4 2 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(C)CC(=O)O BBL027399 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [0,0,0,0,0,0|3,1,0]=4 6 B6R0.2 CC(O)CC(=O)O BBL027467 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CN(C)CC(N)=S BBL029022 [0,0,0,0,0,0|0,1,0]=1 8 B6R0.2 CN(C)CN(C)C BBL027709 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 N=C(N)CC(N)=O BBL018903 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 NC(=O)NC(N)=O BBL012096 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 C#CCN(C)C BBL027718 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CC(=O)CCO BBL028076 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CC(C)CC=O BBL027631 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 CC(C)CCBr BBL011503 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(C)CCS BBL027486 [1,0,0,0,0,0|1,1,1]=4 16 B5R0.1 CC(C)N=C=O BBL037676 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCCC(=O)Cl BBL011417 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCOC(=O)Cl BBL011487 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CNCC(=O)O BBL009707 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CNCC(N)=O BBL011928 [1,0,0,0,0,0|0,0,0]=1 22 B5R0.1 COCC(=O)Cl BBL027308 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CSCC(C)=O BBL100878 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 C\C=C\C(=O)Cl BBL011366 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C\C=C\C(=O)O BBL027395 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 NC(=O)CCCl BBL011453 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 NCCC(=O)O BBL037332 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 O=C(Cl)CCBr BBL011521 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 O=C(O)CCCl BBL012215 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.2 CC(O)CC(=O)NN BBL008678 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.2 CNC(C)CC(C)C BBL023276 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 CNC(C)CC(N)=O BBL024637 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 COC(=O)CC(C)C BBL011395 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.9 CC(=O)CC(C)(C)O BBL027463 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.16 CC(=O)C(Cl)C(C)=O BBL011522 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.16 CC(C)C(Br)C(=O)O BBL010942 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.16 CC(O)C(N)C(=O)O BBL011585 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.2 CC1COC(=O)O1 BBL027518 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.2 CN1C=CC(N)=N1 BBL028677 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 NC1=NNC(=O)C1 BBL011764 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.2 O=C1CCC(=O)C1 BBL011146 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.2 O=C1CNC(=O)N1 BBL013200 [0,0,0,1,0,0|3,0,0]=4 47 B5R0.5 C=C(C)C(=O)Cl BBL010941 [0,0,0,0,1,0|2,0,1]=4 48 B5R0.5 C=C(C)C(=O)O BBL011616 [0,0,0,0,1,0|2,0,1]=4 49 B5R0.5 C=C(C)C(N)=O BBL011416 [0,0,0,0,1,0|1,0,1]=3 50 B5R0.5 CC(=O)C(=O)O BBL027390 [0,0,0,0,1,0|3,0,0]=4 51 B5R0.5 CC(C)C(=N)N BBL011900 [0,0,0,0,1,0|2,0,0]=3 52 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [0,0,0,0,1,0|3,0,0]=4 53 B5R0.5 CC(O)C(=O)O BBL027466 [0,0,0,0,1,0|3,0,0]=4 54 B5R0.5 CC(O)C(N)=O BBL012097 [0,0,0,0,1,0|2,0,0]=3 55 B5R0.5 CC(S)C(=O)O BBL011561 [0,0,0,0,1,0|3,0,0]=4 56 B5R0.5 CN(C)C(=N)N BBL029880 [0,0,0,0,1,0|1,0,0]=2 57 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,0,0,0,1,0|1,0,0]=2 58 B5R0.5 CN(C)C(=S)Cl BBL027489 [0,0,0,0,1,0|1,1,0]=3 59 B5R0.5 CN(C)C(=S)[S-] BBL012267 [0,0,0,0,1,0|1,1,0]=3 60 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,0,0,0,1,0|2,0,0]=3 61 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,0,0,0,1,0|3,0,0]=4 62 B7R0.6 CC(=O)CCC(=O)O BBL027404 [0,0,0,0,0,1|3,0,0]=4 63 B7R0.6 CC(=O)CCC(C)=O BBL027731 [0,0,0,0,0,1|3,0,0]=4 64 B7R0.6 CC(=O)CCN(C)C BBL013551 [0,0,0,0,0,1|1,0,0]=2 65 B7R0.6 CC(=O)NCC(=O)O BBL020087 [0,0,0,0,0,1|3,0,0]=4 66 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,0,0,0,0,1|2,0,1]=4 67 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [0,0,0,0,0,1|1,0,1]=3 68 B7R0.6 CC(C)COC(=O)Cl BBL011424 [0,0,0,0,0,1|2,0,0]=3 69 B7R0.6 CC(C)OCC(=O)O BBL031299 [0,0,0,0,0,1|2,0,0]=3 70 B7R0.6 CN(C)CCN(C)C BBL011565 [0,0,0,0,0,1|3,0,0]=4 71 B4R0.1 CC(=O)CCl BBL036265 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 CC(=O)CO BBL011436 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 CC(=O)NN BBL018600 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 CC(C)C=O BBL034648 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 CC(C)CBr BBL036259 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 CC(N)CN BBL027674 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 CC(O)CN BBL027685 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 CNC(=N)N BBL011356 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 CNC(N)=O BBL013131 [2,0,0,0,0,0|0,0,0]=2 80 B4R0.1 COC(=N)N BBL009722 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 COC(=O)Cl BBL011482 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 COC(N)=O BBL011430 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 CSC(=N)N BBL013049 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 NC(=O)NO BBL009928 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 NNC(N)=O BBL012207 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 O=C(Br)CBr BBL027286 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 O=C(Cl)CCl BBL013127 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 O=C(O)CCl BBL037260 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.2 CCCCN BBL027788 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.2 CNCCN BBL027689 [2,0,0,0,0,0|0,0,1]=3 91 B4R0.2 CNCCO BBL027408 [2,0,0,0,0,0|0,0,2]=4 92 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.1 CCC\C(N)=N\O BBL005361 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(=O)NN BBL027647 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.1 CNCC(=O)NC BBL030504 [1,1,0,0,0,0|0,0,0]=2 96 B6R0.1 COCC(=O)NN BBL013411 [1,1,0,0,0,0|1,0,0]=3 97 B6R0.1 N#CCC(=O)NN BBL010619 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 CCC(N)C(=O)O BBL012213 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.3 CNC(C)C(=O)O BBL022510 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.3 NNC(=O)C(N)=O BBL027670 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.4 C=CCNC(N)=O BBL011340 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.4 CC(=O)CCCCl BBL010617 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.4 CCCCC(=O)Cl BBL012216 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.4 CCCCC(C)=O BBL011434 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.4 CN(C)CCC#N BBL013139 [1,1,0,0,0,0|0,0,2]=4 107 B6R0.4 CN(C)CCCO BBL011401 [1,1,0,0,0,0|0,0,2]=4 108 B6R0.4 CNCCC(N)=O BBL023425 [1,1,0,0,0,0|0,0,0]=2 109 B6R0.4 NCCCC(=O)O BBL008590 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.7 CC(C)(C)C(=O)Cl BBL011382 [0,1,0,0,1,0|2,0,0]=4 112 B6R0.7 CC(C)(N)C(=O)O BBL027672 [0,1,0,0,1,0|2,0,0]=4 113 B6R0.7 CC(C)(N)C(N)=O BBL022550 [0,1,0,0,1,0|1,0,0]=3 114 B6R0.7 CN(C)S(=O)(=O)Cl BBL027640 [0,1,0,0,1,0|2,0,0]=4 115 B8R0.9 CC(C)CNC(=O)CN BBL031396 [0,1,0,0,0,1|1,0,0]=3 116 B8R0.9 CC(O)CCC(=O)NN BBL018741 [0,1,0,0,0,1|2,0,0]=4 117 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [0,1,0,0,0,1|1,0,0]=3 118 B8R0.23 CN(C)C(=N)NC(=N)N BBL012337 [0,1,0,0,0,1|1,0,1]=4 119 B8R0.2 CCC(C)C(N)C(=O)O BBL100034 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BBL033474 [0,2,0,0,0,0|1,0,0]=3 121 B8R0.2 COC(=O)C(N)C(C)C BBL010086 [0,2,0,0,0,0|2,0,0]=4 122 B8R0.16 CCN(CC)CC(C)N BBL039605 [0,2,0,0,0,0|1,0,1]=4 123 B8R0.16 COC(CC(C)=O)OC BBL011444 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.24 CC(C)(C)OC(=O)NN BBL012740 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.34 CN(C)CC(C)(C)C=O BBL027989 [0,2,0,0,0,0|1,0,1]=4 127 B8R0.27 CC(C)(S)C(N)C(=O)O BBL013214 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.37 CN(C)C(C)(C)C(=O)O BBL013944 [0,2,0,0,0,0|1,0,0]=3 129 B6R1.2 NC1=NCCC1 BBL031757 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.2 O=C1CCSC1 BBL027522 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.11 O=C(Cl)C1CC1 BBL011354 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.3 CN1CCN(N)CC1 BBL027562 [0,0,0,1,0,1|2,0,0]=4 133 B8R1.1 O=C1NCC(CCl)O1 BBL027510 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,1,0,0|2,0,0]=4 135 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [0,0,0,0,0,2|2,0,0]=4 136 B8R0.28 CN(C)CCCC(=O)O BBL011871 [0,0,0,0,0,2|1,0,0]=3