0 B7R0.4 CC(C)OCCCN CUR-0101773 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CC(C)OCCCO CUR-0010579 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CN(C)CCN=C=O CUR-0000295 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 CC(C)CCNN CUR-0019174 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.4 CC(C)CCON CUR-0153393 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 CC(C)CN=C=O CUR-0095337 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.4 CC(C)NCC#C CUR-0075482 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 CC(C)NCCO CUR-0101633 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 CC(CCC#C)O CUR-0038064 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CC(CCC#N)Br CUR-0049988 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CN(C)CCC#N CUR-0021460 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 CN(C)CCCN CUR-0101628 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CN(C)CCCO CUR-0020324 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CN(C)CCNN CUR-0009172 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 C(CC=O)CC=O CUR-0101590 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCBr CUR-0023541 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 CCCCCCC CUR-0101599 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCCCCCI CUR-0008970 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 CCCCCCN CUR-0100774 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCCCCCO CUR-0025713 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.6 CCCCNCC CUR-0101609 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCCCOC=C CUR-0002040 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.6 CCOCCCN CUR-0101632 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 COCCN=C=O CUR-0101602 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.5 CCOC(=O)CC(C)C CUR-0101017 [0,1,0,0,0,0|1,0,2]=4 25 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.4 CC1CCCC(C1)O CUR-0017679 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.7 CC(C)C1CCNC1 CUR-0011983 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.19 CC1(CCCC1=O)C CUR-0099926 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.19 CC1(CCCC1O)C CUR-0056939 [0,0,0,1,0,0|1,0,2]=4 31 B5R0.1 CC(C)CC#N CUR-0101228 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 CC(C)CC=O CUR-0101502 [2,0,0,0,0,0|0,0,0]=2 33 B5R0.1 CC(C)CCBr CUR-0002757 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.1 CC(C)CCN CUR-0101511 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.1 CC(C)CCO CUR-0003416 [2,0,0,0,0,0|0,0,0]=2 36 B5R0.1 CC(C)CNN CUR-0001046 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 CC(C)N=C=O CUR-0101492 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 CC(CCO)O CUR-0003759 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 CC(COC)N CUR-0101532 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 CCCC(C)O CUR-0023615 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CN(C)CCCl CUR-0017041 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CN(C)CCN CUR-0101525 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CN(C)CCO CUR-0019188 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 C=CCCCN CUR-0089890 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CCCCC#N CUR-0002776 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.2 CCCCC=O CUR-0020580 [2,0,0,0,0,0|0,0,0]=2 47 B5R0.2 CCCCCBr CUR-0020920 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.2 CCCCCI CUR-0007389 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 CCCCCN CUR-0101510 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.2 CCCCCO CUR-0018736 [2,0,0,0,0,0|0,0,2]=4 51 B5R0.2 CCCCNC CUR-0101509 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.2 CCCN=C=O CUR-0101493 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CNCCOC CUR-0101531 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.2 COCCCN CUR-0101530 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.2 COCCOC CUR-0026380 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [1,1,0,0,0,0|0,0,0]=2 60 B7R0.1 CCCCCCC=O CUR-0101726 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.56 CC(=O)OCC[N+](C)(C)C CUR-0104003 [0,2,0,0,0,0|1,0,0]=3 62 B7R1.2 C1C(=O)COC1=O CUR-0100913 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.2 C1C(CNC1=O)N CUR-0087034 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.2 CC1COC(=O)O1 CUR-0101613 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.3 C1COCCC1O CUR-0101618 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.3 CC1CCCNC1 CUR-0013551 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.3 CC1CCNCC1 CUR-0000849 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 CN1CCOCC1 CUR-0027520 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.5 CC1CC1N=C=O CUR-0006486 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.7 C1CC1CN=C=O CUR-0022437 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.14 CC1(CCCN1)C CUR-0020922 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.14 CC1(COCN1)C CUR-0101605 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.1 C1CCN(C1)C=O CUR-0050422 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.1 C1COCC1C=O CUR-0082585 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.4 C1COC(=O)C1Br CUR-0012154 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.4 C1CSC(=O)C1N CUR-0025625 [1,0,0,1,0,0|1,1,0]=4 81 B7R1.4 CN1CCCC1=O CUR-0101576 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.6 C1CC(C1)N=C=O CUR-0004501 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.38 CC1(CC(=O)OC1=O)C CUR-0101919 [0,1,0,1,0,0|0,0,1]=3 84 B9R1.41 CC(=O)C1CCOC1=O CUR-0101917 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.118 CC1(CCOCC1)CO CUR-0028185 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.40 CC1(C(=O)NCCN1)C CUR-0099202 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.35 CC(C)C1CC(=O)NC1 CUR-0098576 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.35 CC(C)C1COC(=O)N1 CUR-0050365 [0,1,0,1,0,0|0,0,0]=2 89 B9R1.138 CC1(CCC(C1=O)Br)C CUR-0057194 [0,1,0,1,0,0|1,0,0]=3