0 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 COCSc1ccccc1 CSC000000817 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 OCCSc1ccncc1 CSC011297907 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.34 COC(=O)C(O)c1ccccc1 CSC000150732 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.34 COC(=O)[C@@H](O)c1ccccc1 CSC009815906 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.34 COC(=O)[C@H](O)c1ccccc1 CSC009815907 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.34 NNC(=O)C(O)c1ccccc1 CSC011203043 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.39 CCCS(=O)(=O)c1ccccc1 CSC000031128 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.39 OCCS(=O)(=O)c1ccccc1 CSC011215558 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,0,0,0,0,1|1,0,2]=4 32 B12R1.32 NCCC(=O)Nc1ccccc1 CSC011195676 [0,0,0,0,0,1|1,0,2]=4 33 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.17 CCNCc1ccccc1F CSC000201217 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.17 Cc1ccccc1NCCO CSC011233185 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.17 Cc1ccccc1OCCO CSC011305843 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.17 FCCSc1ccccc1Br CSC010198681 [1,1,0,0,0,0|1,1,0]=4 72 B11R1.17 OCCNc1ccccc1Br CSC011233104 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.17 OCCOc1ccccc1Cl CSC000230518 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.17 OCCOc1ccccc1F CSC000756447 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.17 OCCSc1ccccc1Br CSC000230852 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.17 OCCSc1ccccc1Cl CSC000230572 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.17 OCCSc1ccccc1F CSC000230732 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.24 Cc1cccc(c1)NCCO CSC011232808 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.24 Cc1cccc(c1)OCCO CSC011215094 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.24 Cc1cccc(c1)SCCO CSC011432187 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.24 OCCOc1cccc(c1)F CSC011305856 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.24 OCCSc1cccc(c1)Br CSC011756134 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.24 OCCSc1cccc(c1)Cl CSC011721761 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.24 OCCSc1cccc(c1)F CSC011996949 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.28 CCCCNc1ccccn1 CSC000156416 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [1,1,0,0,0,0|1,0,1]=4 106 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.28 OCCNCc1ccccn1 CSC000200435 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.28 OCCNCc1ccncc1 CSC000200482 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.26 CCC(NCCO)c1ccccc1 CSC000713835 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.398 OCCN(CCO)c1ccccc1 CSC000033556 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.17 CC(NCCN)c1ccc(cc1)Br CSC011367360 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.17 CC(NCCN)c1ccc(cc1)I CSC011367598 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.17 CC(NCCO)c1ccc(cc1)F CSC000222785 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.18 CC(NCCN)c1cccc(c1)Br CSC011367362 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.18 CC(NCCO)c1cccc(c1)Cl CSC000713799 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.24 CC(CNCCO)c1ccccc1 CSC000200478 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.24 CCCNCC(C)c1ccccc1 CSC000201663 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.45 CC(C)NCC(C)c1ccccc1 CSC000200219 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.45 CC(C)NCC(O)c1ccccc1 CSC000227977 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.674 CC(NCCN)c1ccccc1Br CSC011367381 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [0,0,0,1,0,1|2,0,0]=4 129 B13R2.444 CC(Nc1ccccc1)C2CC2 CSC011230787 [0,0,0,1,0,1|2,0,0]=4 130 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,0,0,0,0,2|2,0,0]=4 131 B13R1.42 CCCC(O)CSc1ccccc1 CSC012179918 [0,0,0,0,0,2|1,0,0]=3