0 B12R1.30 CC(c1ccccc1)NCCN CUR-0120223 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.30 CCCCC(=O)c1ccccc1 CUR-0102662 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.30 c1ccc(cc1)C(=O)CSC#N CUR-0019222 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CCCC(=O)c1ccccc1 CUR-0102314 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.16 CCOC(=O)c1ccccc1 CUR-0008450 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.16 CCOC(=O)c1cccnc1 CUR-0102393 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.16 CCOC(=O)c1ccncc1 CUR-0102401 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.16 c1ccc(cc1)C(=O)C=C[O-] CUR-0016463 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.16 c1ccc(cc1)C(=O)CC#N CUR-0029245 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 CCCCNc1ccccc1 CUR-0102338 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.28 CNCCCc1ccccc1 CUR-0099115 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 c1ccc(cc1)CNCCO CUR-0002096 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 c1ccc(cc1)COCCN CUR-0029134 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.28 c1ccc(cc1)COCCO CUR-0102437 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.28 c1ccc(cc1)NCCCN CUR-0028802 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 c1ccc(cc1)OCCCBr CUR-0026681 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N CUR-0095724 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.24 CCCCOC(=O)c1ccccc1 CUR-0005235 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O CUR-0103031 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)O CUR-0024691 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.122 CNCCS(=O)(=O)c1ccccc1 CUR-0153063 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.122 c1ccc(cc1)S(=O)(=O)CCCN CUR-0100584 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.674 CCCOC(=O)c1ccccc1Cl CUR-0017351 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.674 c1ccc(c(c1)C(=O)NCCO)O CUR-0101398 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.3 c1ccc(cc1)C2CCCCC2 CUR-0102620 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.3 c1ccc(cc1)C2CNCCO2 CUR-0026784 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.3 c1ccc(cc1)C2CNCCO2 CUR-0100594 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.5252 c1ccc2c(c1)CCCCC2=O CUR-0003077 [0,0,0,1,0,0|1,0,0]=2 28 B13R2.5252 c1ccc2c(c1)CCCNC2=O CUR-0100570 [0,0,0,1,0,0|1,0,0]=2 29 B13R1.44 CCCCC(=O)Oc1ccccc1 CUR-0142301 [0,0,0,0,0,1|1,0,0]=2 30 B13R1.44 c1cnccc1NC(=O)CCCN CUR-0099383 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.15 C#CC(=O)c1ccccc1 CUR-0097758 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.15 CCC(=O)c1ccccc1 CUR-0024986 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.15 CCC(c1ccccc1)Br CUR-0015038 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.15 COC(=O)c1ccccc1 CUR-0016353 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.15 COC(=O)c1ccccn1 CUR-0102091 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.15 COC(=O)c1cnccn1 CUR-0029170 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.15 c1ccc(cc1)C(=O)CBr CUR-0022224 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.15 c1ccc(cc1)C(=O)CN CUR-0095634 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 c1ccc(cc1)C(=O)NN CUR-0010769 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 CCNCc1ccccc1 CUR-0102061 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.17 c1ccc(cc1)CCCBr CUR-0021887 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.17 c1ccc(cc1)CCCN CUR-0102060 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.17 c1ccc(cc1)COCCl CUR-0026033 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.17 c1ccc(cc1)NCCO CUR-0102101 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 c1ccc(cc1)OCCBr CUR-0014829 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 c1ccc(cc1)OCCN CUR-0096957 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.17 c1ccc(cc1)OCCO CUR-0100864 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.17 c1ccc(cc1)\C=C\CCl CUR-0102450 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.16 CCOC(=O)c1ccc(cc1)Br CUR-0024563 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.16 CCOC(=O)c1ccc(cc1)N CUR-0020415 [1,1,0,0,0,0|0,0,0]=2 51 B12R1.16 CCOC(=O)c1ccc(cc1)O CUR-0102786 [1,1,0,0,0,0|0,0,0]=2 52 B12R1.16 CCOC(=O)c1ccc(nn1)Cl CUR-0097059 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.16 CCOC(=O)c1ccc(nn1)S CUR-0097087 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.17 CCNC(=O)c1cc(ccn1)Cl CUR-0013595 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.39 c1ccc(cc1)S(=O)(=O)CCN CUR-0099843 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.107 CC(=O)CC(=O)c1ccccc1 CUR-0102653 [1,1,0,0,0,0|0,0,1]=3 57 B12R1.107 CC(=O)CC(=O)c1cccnc1 CUR-0016991 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.308 CCOC(=O)c1ccccc1N CUR-0102741 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.308 CCOC(=O)c1ccccc1O CUR-0102788 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.8 CCCCNCc1ccccc1 CUR-0102699 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.8 CNCCNCc1ccccc1 CUR-0098617 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 CUR-0004345 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 CUR-0100751 [0,2,0,0,0,0|1,0,1]=4 64 B14R1.19 CCCCOC(=O)c1ccc(cc1)N CUR-0103331 [0,2,0,0,0,0|0,0,0]=2 65 B14R1.38 c1ccc(cc1)C(=O)CCNCCO CUR-0096001 [0,2,0,0,0,0|1,0,0]=3 66 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 CUR-0103628 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.420 c1ccc(cc1)C(=O)CCCC(=O)O CUR-0095692 [0,2,0,0,0,0|1,0,1]=4 68 B14R1.160 CC(C)COC(=O)c1ccccc1O CUR-0103345 [0,2,0,0,0,0|0,0,0]=2 69 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CUR-0102310 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.1081 c1ccc2c(c1)CCCC2=O CUR-0102276 [1,0,0,1,0,0|0,0,0]=2 71 B12R2.1081 c1ccc2c(c1)CCCC2Cl CUR-0006692 [1,0,0,1,0,0|1,0,1]=4 72 B12R2.1081 c1ccc2c(c1)CCCC2N CUR-0102303 [1,0,0,1,0,0|1,0,1]=4 73 B12R2.2028 CC1CC(=O)c2c1cccc2 CUR-0052444 [1,0,0,1,0,0|0,0,0]=2 74 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O CUR-0020882 [1,0,0,1,0,0|1,0,1]=4 75 B12R2.229 c1coc2c1C(=O)NCCC2 CUR-0121758 [0,0,0,1,1,0|2,0,0]=4 76 B14R2.6 c1ccc(cc1)NC2=NCCCS2 CUR-0095437 [0,0,0,1,0,1|1,1,0]=4 77 B14R2.24 c1ccc(cc1)C2C(=O)NCCS2 CUR-0095817 [0,0,0,1,0,1|2,0,0]=4 78 B14R2.517 CCCn1c2ccccc2nc1S CUR-0104670 [0,0,0,1,0,1|1,1,0]=4 79 B14R2.517 CCCn1c2ccccc2sc1=N CUR-0098314 [0,0,0,1,0,1|2,0,0]=4 80 B14R2.21 c1ccc(cc1)C2CC(CCO2)O CUR-0004717 [0,1,0,1,0,0|1,0,1]=4 81 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O CUR-0096393 [0,1,0,1,0,0|1,0,1]=4 82 B14R2.933 c1cc(ncc1C(=O)NC2CC2)Cl CUR-0012649 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.19587 CCn1cc(c2c1cccc2)C=O CUR-0095974 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.19306 CCN1c2ccccc2C(=O)C1=O CUR-0095595 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.11 CCOC(=O)c1c[nH]nc1 CUR-0102140 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.11 CCOC(=O)c1ccco1 CUR-0102138 [1,0,0,0,1,0|1,0,0]=3 87 B10R1.11 CCOC(=O)c1cocn1 CUR-0015363 [1,0,0,0,1,0|2,0,0]=4