0 B13R1.86 CCN(CC)C(=O)C1=CC=CC=C1 S380873 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.118 CCN(CC)CC1=CC=CC=N1 S345962 [1,0,0,0,0,0|2,0,1]=4 4 B14R1.88 CCN(CC)C(=O)[N+]1=CC=C(C=C1)N R728756 [0,1,0,0,0,0|2,0,0]=3 5 B14R1.89 CCN(CC)C(=O)C1=CC(=CC=C1)O EME00381 [0,1,0,0,0,0|1,0,0]=2 6 B14R1.89 CCN(CC)C(=O)C1=CN(=CC=C1)O S392413 [0,1,0,0,0,0|0,0,1]=2 7 B14R1.1022 CCN(CC)C(C)(C)C1=CC=CC=C1 PH012893 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.3624 CCN(CC)C(=O)C1=CC=CC=C1N PH010769 [0,1,0,0,0,0|1,0,0]=2 9 B14R1.3624 CCN(CC)C(=O)C1=CC=CN=C1Cl VBP00046 [0,1,0,0,0,0|0,0,0]=1 10 B14R2.92 CCC1CCC2=C(C1=O)C=CC=C2 S58409 [0,0,0,1,0,0|2,0,0]=3 11 B14R2.114 C=C(C1=CC=CC=C1)C2CCCC2 S960012 [0,0,0,1,0,0|3,0,0]=4 12 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [0,0,0,1,0,0|2,0,0]=3 13 B14R2.114 O=C(C1=CN=CC=C1)N2CCCC2 S398888 [0,0,0,1,0,0|0,0,0]=1 14 B14R1.58 CCC(CC)NC(=O)C1=CC=CC=C1 PH009455 [0,0,0,0,0,1|2,0,0]=3 15 B14R1.58 CCC(CO)NC(=O)C1=CC=CC=C1 R425397 [0,0,0,0,0,1|3,0,0]=4 16 B14R1.58 CCN(CC)CC(O)C1=CC=CC=C1 S815977 [0,0,0,0,0,1|1,0,2]=4 17 B14R1.532 CCN(CC)C(=O)NC1=CC=CC=C1 S711225 [0,0,0,0,0,1|1,0,0]=2 18 B14R1.532 CCN(CC)C(=S)NC1=CC=CC=C1 S625167 [0,0,0,0,0,1|1,1,0]=3 19 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [2,0,0,0,0,0|0,0,0]=2 21 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [2,0,0,0,0,0|0,0,0]=2 24 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [2,0,0,0,0,0|1,0,1]=4 25 B13R1.22 CON(C)C(=O)C1=CN=CC(=C1)Br KOB0025 [1,1,0,0,0,0|1,0,0]=3 26 B13R1.696 CCN(C)C(=O)C1=CC=CN=C1Cl VBP00048 [1,1,0,0,0,0|0,0,0]=2 27 B13R1.79 CCN(CCCl)CC1=CC=CC=C1 S376841 [1,1,0,0,0,0|1,0,1]=4 28 B13R1.145 CCN(CC)CC1=CC=C(C=C1)N BBO000509 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.146 CCN(CC)CC1=CC(=CC=C1)N CBR00121 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.146 CCN(CC)CC1=CC(=CC=C1)N R238724 [1,1,0,0,0,0|1,0,1]=4 31 B15R1.647 CCN(CC)C(=O)NC1=CC=C(C=C1)Br S665894 [0,1,0,0,0,1|1,0,0]=3 32 B15R1.647 CCN(CC)C(=O)NC1=CC=C(C=C1)C S613266 [0,1,0,0,0,1|1,0,0]=3 33 B15R1.647 CCN(CC)C(=O)NC1=CC=C(C=C1)Cl S279757 [0,1,0,0,0,1|1,0,0]=3 34 B15R1.647 CCN(CC)C(=O)NC1=CC=C(C=C1)Cl S586277 [0,1,0,0,0,1|1,0,0]=3 35 B15R1.647 CCN(CC)C(=O)NC1=CC=C(C=C1)F S601659 [0,1,0,0,0,1|1,0,0]=3 36 B15R1.648 CCN(CC)C(=O)NC1=CC(=CC=C1)C S607088 [0,1,0,0,0,1|1,0,0]=3 37 B15R1.648 CCN(CC)C(=O)NC1=CC(=CC=C1)Cl S594288 [0,1,0,0,0,1|1,0,0]=3 38 B15R1.648 CCN(CC)C(=O)NC1=CC=CC(=C1)F S801968 [0,1,0,0,0,1|1,0,0]=3 39 B15R1.1289 CCN(CCO)C(=O)NC1=CC=CC=C1 S607975 [0,1,0,0,0,1|1,0,0]=3 40 B15R1.4479 CCN(CC)C(=O)NC1=C(C=CC=C1)C S628204 [0,1,0,0,0,1|1,0,0]=3 41 B15R1.4479 CCN(CC)C(=O)NC1=CC=CC=C1Cl S621730 [0,1,0,0,0,1|1,0,0]=3 42 B15R1.218 CCN(CC)C(=O)C1=CC=C(C=C1)C=O PH015525 [0,2,0,0,0,0|1,0,0]=3 43 B15R1.218 CCN(CC)C(=O)C1=CC=C(C=C1)OC S516295 [0,2,0,0,0,0|1,0,0]=3 44 B15R1.1363 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C S799319 [0,2,0,0,0,0|2,0,0]=4 45 B15R1.4462 CCN(CC)C(=O)C1=CC(=CC=C1F)F R276782 [0,2,0,0,0,0|1,0,0]=3 46 B15R1.1319 CCCN(CCC)C(=O)C1=CC=NC=C1 S390941 [0,2,0,0,0,0|2,0,0]=4 47 B15R1.1319 CCCN(CCC)C(=O)C1=CN=CC=C1 S377619 [0,2,0,0,0,0|0,0,0]=2 48 B15R1.8870 CC(C)N(C(=O)C1=CC=NC=C1)C(C)C S377260 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.646 CCN(CC)C1=CC=CC(=C1)N=O S339679 [0,0,1,1,0,0|2,0,0]=4 50 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O PH000353 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 PH011177 [1,0,0,1,0,0|1,0,1]=4 52 B15R2.1259 O=C(CC1CCCC1)C2=CC=CC=C2 PH010294 [0,0,0,1,0,1|2,0,0]=4 53 B15R2.1259 O=C(NC1CCCC1)C2=CC=CC=C2 L135216 [0,0,0,1,0,1|2,0,0]=4 54 B15R2.1259 O=C(NC1CCCC1)C2=CC=CN=C2 T322717 [0,0,0,1,0,1|1,0,0]=3 55 B15R2.1259 O=C(OC1CCCC1)C2=CC=CC=C2 S709743 [0,0,0,1,0,1|2,0,0]=4 56 B15R2.33298 CC[Pb]1(OC(=O)C2=C1C=CC=C2)CC S839493 [0,0,0,1,0,1|2,0,0]=4 57 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCC2 T316466 [0,0,0,1,0,1|2,0,0]=4 58 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 R748234 [0,0,0,1,0,1|1,0,0]=3 59 B15R2.64 S=C(NC1=CC=CC=C1)N2CCCC2 S690856 [0,0,0,1,0,1|1,1,0]=4 60 B15R2.91 NC1=CC=C(C=C1)C(=O)N2CCCC2 CDS008764 [0,1,0,1,0,0|1,0,0]=3 61 B15R2.91 O=C(C1=CC=C(C=C1)F)N2CCCC2 PH015521 [0,1,0,1,0,0|1,0,0]=3 62 B15R2.1108 NC1=CC(=CC=N1)C(=O)N2CCCC2 CBR00164 [0,1,0,1,0,0|2,0,0]=4 63 B15R2.2226 O=C(C1=CC=CC=C1)C2CCCNC2 CBR00493 [0,1,0,1,0,0|2,0,0]=4 64 B15R2.2226 O=C(C1=CC=CC=C1)C2CCNCC2 T315486 [0,1,0,1,0,0|2,0,0]=4 65 B15R2.2226 O=C(C1=CC=CC=C1)N2CCCCC2 S341576 [0,1,0,1,0,0|1,0,0]=3 66 B15R2.2226 O=C(C1=CC=CN=C1)N2CCNCC2 T325457 [0,1,0,1,0,0|0,0,0]=2 67 B15R2.2226 O=C(C1=CN=CC=C1)N2CCOCC2 S398934 [0,1,0,1,0,0|0,0,0]=2 68 B15R2.2226 S=C(C1=CC=CC=C1)N2CCOCC2 S512362 [0,1,0,1,0,0|1,1,0]=4 69 B15R2.627 CC(C)C1CCC2=C(C1=O)C=CC=C2 S58395 [0,1,0,1,0,0|2,0,0]=4 70 B15R2.26610 CCC1(CCC2=CC=CC=C2C1=O)C PH007602 [0,1,0,1,0,0|2,0,0]=4 71 B15R2.358 CC1=CC=CC=C1C(=O)C2CCCC2 PH000420 [0,1,0,1,0,0|2,0,0]=4 72 B15R2.358 O=C(C1=CC=CC=C1F)C2CCCC2 PH000421 [0,1,0,1,0,0|2,0,0]=4 73 B15R2.358 O=C(C1=CC=CN=C1Cl)N2CCCC2 VBP00045 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [1,0,0,0,1,0|2,0,0]=4 75 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [1,0,0,0,1,0|2,0,0]=4 76 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.84 CCN(CC)CC1=CC=CS1 PH012072 [1,0,0,0,1,0|1,0,1]=4 78 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [1,0,0,0,0,1|2,0,0]=4 79 B13R1.135 CON(C)C(=O)NC1=CC=CC=C1 S586269 [1,0,0,0,0,1|2,0,0]=4 80 B13R1.417 CCN(CC)CCC1=CN=CC=N1 PH012636 [1,0,0,0,0,1|1,0,1]=4 81 B15R1.488 CCN(CC)C(=O)CNC1=CC=CC=C1 PH010842 [0,0,0,0,0,2|1,0,0]=3 82 B15R1.488 CCN(CC)C(=O)CSC1=CC=CC=C1 PH009685 [0,0,0,0,0,2|1,0,0]=3