0 B4R0.2 BrCCCBr D77913 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 BrCOCBr AC2225 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#CCCCl C77663 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C#CCCI AC1965 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C#CCCN 31177 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C#CCCN 68194 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C=C\C=C/C T71862 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 CCCCN T70838 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 CCONC AT14498 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.2 COCCI A50601 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 CSCCN D73275 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 NCCCF 61303 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 NCCCN T70045 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 NCCCS A11074 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.2 OCCCO D77845 [0,0,0,0,0,0|2,1,1]=4 15 B4R0.2 OCCCS D78398 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.2 SCCCBr 77989 [0,0,0,0,0,0|2,0,2]=4 17 B3R0.1 CCNN D79778 [1,0,0,0,0,0|1,0,1]=3 18 B3R0.1 CCON C13232 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.1 C[Se][Se]C H10908 [1,0,0,0,0,0|2,0,1]=4 20 B3R0.1 ClCCI T71139 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.1 NCCN A12036 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 NCCN T72722 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 C=CC[C@H](C)O 71459 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.1 C=CC[C@H](C)O A12634 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.1 CCC[C@H](C)N P14575 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.1 CCC[C@H](C)N Y10887 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 CCOC(N)=S A11227 [0,1,0,0,0,0|1,0,1]=3 28 B5R0.1 CNC[C@H](C)O AC1157 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.1 CNC[C@H](C)O N12528 [0,1,0,0,0,0|3,0,0]=4 30 B5R0.1 COC[C@H](C)Br 78860 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.1 COC[C@H](C)N 25526 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.1 COC[C@H](C)N D95458 [0,1,0,0,0,0|3,0,0]=4 33 B5R0.1 COC[C@H](C)N W17998 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.1 C[C@H](N)CC#N 12486 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.1 C[C@H](O)CC#N 87623 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 C[C@H](O)CCN 83616 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 C[C@H](O)CON O10313 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.2 C#CCCCI C78094 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.2 C#CCCCN 72839 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.2 C#CCOCC C90311 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.2 C=CCCNC W16107 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.2 CCCCON 31644 [0,1,0,0,0,0|1,1,1]=4 43 B5R0.2 CNOCCN D97505 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.2 COCCCO D77912 [0,1,0,0,0,0|1,1,1]=4 45 B5R0.2 NCCCCCl F19552 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.2 NNCCCO AB9423 [0,1,0,0,0,0|3,0,0]=4 47 B5R0.2 O=CCCCO 55817 [0,1,0,0,0,0|1,1,1]=4 48 B5R0.3 CCC(=O)CN S11993 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.3 CC[C@H](C)CN 88665 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.3 CC[C@H](N)C#N 98383 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.3 CC[PH](=O)CC C77650 [0,1,0,0,0,0|1,1,1]=4 52 B5R1.1 C1CNNC1 26256 [0,0,0,1,0,0|2,0,1]=4 53 B5R1.1 C1COCN1 A51210 [0,0,0,1,0,0|0,1,2]=4 54 B5R1.2 C[C@H]1CCN1 98100 [0,0,0,1,0,0|1,0,2]=4 55 B5R1.2 C[C@H]1CCN1 P21034 [0,0,0,1,0,0|1,0,2]=4 56 B5R1.2 ClC1CCC1 T70092 [0,0,0,1,0,0|2,0,1]=4 57 B5R1.2 IC1CCC1 P17114 [0,0,0,1,0,0|2,0,1]=4 58 B5R1.3 ICC1CC1 P19124 [0,0,0,1,0,0|2,0,1]=4 59 B5R1.3 NNC1CC1 26649 [0,0,0,1,0,0|3,0,0]=4 60 B5R1.3 NNC1CC1 BL010354 [0,0,0,1,0,0|3,0,0]=4 61 B5R1.4 CC1CC1N 72192 [0,0,0,1,0,0|2,0,1]=4 62 B5R1.4 CC1CC1N 72742 [0,0,0,1,0,0|2,0,1]=4 63 B2R0.1 CNC T70981 [2,0,0,0,0,0|0,0,2]=4 64 B2R0.1 CNN C10129 [2,0,0,0,0,0|1,0,1]=4 65 B2R0.1 CSC D78287 [2,0,0,0,0,0|1,0,1]=4 66 B2R0.1 FCI AT16478 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.1 C#C[C@H](C)N AB1311 [1,1,0,0,0,0|1,0,1]=4 68 B4R0.1 C#C[C@H](C)N F31055 [1,1,0,0,0,0|1,0,1]=4 69 B4R0.1 C=C[C@H](C)N 81150 [1,1,0,0,0,0|1,0,1]=4 70 B4R0.1 C=C[C@H](C)N C77628 [1,1,0,0,0,0|1,0,1]=4 71 B4R0.1 C=C[C@H](C)N N11410 [1,1,0,0,0,0|1,0,1]=4 72 B4R0.1 CC(C)CBr P19652 [1,1,0,0,0,0|1,0,1]=4 73 B4R0.1 CC[C@H](C)N 74047 [1,1,0,0,0,0|1,0,1]=4 74 B4R0.1 C[C@H](Br)CN F11189 [1,1,0,0,0,0|1,0,1]=4 75 B4R0.1 C[C@H](Br)CO W17591 [1,1,0,0,0,0|0,1,1]=4 76 B4R0.1 C[C@H](Cl)CN Y14715 [1,1,0,0,0,0|1,0,1]=4 77 B4R0.1 C[C@H](N)C#N I11084 [1,1,0,0,0,0|1,0,1]=4 78 B4R0.1 C[C@H](N)CF AC1136 [1,1,0,0,0,0|1,0,1]=4 79 B4R0.1 C[C@H](N)CF AC6177 [1,1,0,0,0,0|1,0,1]=4 80 B4R1.1 C1CNC1 52818 [1,0,0,1,0,0|0,0,2]=4 81 B4R1.2 C[C@H]1CN1 68557 [1,0,0,1,0,0|0,0,2]=4 82 B4R1.2 IC1CC1 AC5127 [1,0,0,1,0,0|1,0,1]=4 83 B6R1.2 NC1=NCCO1 53947 [0,1,0,1,0,0|0,1,1]=4