0 B9R1.12 CCNCc1cccs1 CSC000186918 [0,0,0,0,0,0|1,1,0]=2 1 B9R1.12 CCNCc1ccsc1 CSC000201226 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 CCSCc1ccco1 CSC000028914 [0,0,0,0,0,0|0,1,0]=1 3 B9R1.12 OCCSc1cccs1 CSC011305907 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.8 CCSc1cccs1 CSC009829625 [1,0,0,0,0,0|0,2,0]=3 5 B10R1.11 CCNC(=O)c1cccs1 CSC000160180 [0,1,0,0,0,0|1,1,1]=4 6 B10R1.11 CCNC(=O)c1cnco1 CSC016126841 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,1,0,0,0,0|0,0,1]=2 8 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,1,0,0,0,0|0,1,1]=3 9 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.11 CCOC(=O)c1nccs1 CSC011468584 [0,1,0,0,0,0|1,1,1]=4 12 B10R1.16 CCCCn1cc(cn1)Br CSC011400202 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.16 CCCCn1cc(cn1)I CSC012073163 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.16 CCNCc1cc(cs1)Br CSC000201283 [0,1,0,0,0,0|1,1,0]=3 15 B10R1.16 CCNCc1ccc(s1)C CSC000189073 [0,1,0,0,0,0|1,1,0]=3 16 B10R1.16 CCNCc1ccc(s1)Cl CSC000185262 [0,1,0,0,0,0|1,1,0]=3 17 B10R1.16 CCNCc1nc(cs1)C CSC011401589 [0,1,0,0,0,0|2,1,0]=4 18 B10R1.21 CCCNCc1cccs1 CSC000186944 [0,1,0,0,0,0|1,1,0]=3 19 B10R1.21 CCCNCc1ccsc1 CSC000201670 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.21 OCCNCc1ccco1 CSC000200452 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.21 OCCNCc1cccs1 CSC000200436 [0,1,0,0,0,0|1,1,0]=3 22 B10R1.21 OCCNCc1cncs1 CSC011744557 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.27 CNC(=O)Cc1cccs1 CSC000159811 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.27 COC(=O)Cc1cccs1 CSC000173319 [0,1,0,0,0,0|2,1,0]=4 25 B10R1.29 CCNCc1sccc1C CSC000186935 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.66 CC(=O)NCc1cccs1 CSC000154743 [0,1,0,0,0,0|1,1,1]=4 27 B10R1.66 CC(C)NCc1ccsc1 CSC000200228 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.66 CC(C)NCc1nccs1 CSC011447379 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.66 CC(C)SCc1ccco1 CSC000028915 [0,1,0,0,0,0|0,1,0]=2 30 B10R1.17 CCCSc1ccccc1 CSC000005822 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.17 CCCSc1ccccn1 CSC000006455 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.17 CCSCc1ccccc1 CSC000006444 [0,0,0,0,0,1|1,1,0]=3 33 B10R1.17 CSCCc1ccncc1 CSC015420737 [0,0,0,0,0,1|3,0,0]=4 34 B9R1.7 CCCn1cc(cn1)Br CSC011400188 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.7 CCCn1cc(cn1)Cl CSC012129384 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.7 CCCn1cc(cn1)I CSC012073160 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.11 COC(=O)c1cccs1 CSC000148991 [1,1,0,0,0,0|0,1,1]=4 38 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [0,1,0,0,0,1|1,1,0]=4 42 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [0,1,0,0,0,1|1,1,0]=4 43 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [0,1,0,0,0,1|1,1,0]=4 44 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [0,1,0,0,0,1|1,1,0]=4 45 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [0,1,0,0,0,1|1,0,1]=4 47 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [0,1,0,0,0,1|1,0,1]=4 48 B11R1.16 CCOC(=O)c1ccncn1 CSC012000388 [0,1,0,0,0,1|1,0,1]=4 49 B11R1.16 CCOC(=O)c1cnccn1 CSC000170199 [0,1,0,0,0,1|1,0,1]=4 50 B11R1.17 CCNCc1ccccc1F CSC000201217 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [0,1,0,0,0,1|1,1,0]=4 52 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [0,1,0,0,0,1|1,1,0]=4 55 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [0,1,0,0,0,1|1,1,0]=4 56 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [0,1,0,0,0,1|1,1,0]=4 57 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.28 CCCCNc1ccccn1 CSC000156416 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.28 CCCCSc1ncccn1 CSC000002571 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.28 CCCNCc1ccccn1 CSC000201641 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.28 CCCNCc1cccnc1 CSC000180834 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.28 CCCNCc1ccncc1 CSC000180873 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,1,0,0,0,1|1,1,0]=4 65 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.28 OCCNCc1ccccn1 CSC000200435 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.28 OCCNCc1ccncc1 CSC000200482 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,1,0,0,0,1|1,1,0]=4 70 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,1,0,0,0,1|1,0,1]=4 72 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [0,1,0,0,0,1|1,1,0]=4 76 B11R1.15 CCNC(=O)c1ccc(o1)Br CSC000160144 [0,2,0,0,0,0|1,0,1]=4 77 B11R1.15 CCOC(=O)c1cc(c[nH]1)Br CSC000704357 [0,2,0,0,0,0|1,0,1]=4 78 B11R1.15 CCOC(=O)c1cc(c[nH]1)Cl CSC011213015 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.15 CCOC(=O)c1cc(no1)C CSC000246254 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.15 CCOC(=O)c1ccc(o1)Br CSC000170220 [0,2,0,0,0,0|0,0,1]=3 81 B11R1.15 CCOC(=O)c1ccc(s1)Br CSC000172375 [0,2,0,0,0,0|0,1,1]=4 82 B11R1.15 CCOC(=O)c1ccc(s1)Cl CSC000174088 [0,2,0,0,0,0|0,1,1]=4 83 B11R1.29 CC(NCCN)c1ccco1 CSC011203454 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.29 CCCNC(=O)c1ccco1 CSC000161707 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.29 CCCOC(=O)c1ccco1 CSC000169940 [0,2,0,0,0,0|0,0,1]=3 86 B11R1.29 OCCNC(=O)c1ccco1 CSC000158878 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.77 CC(C)NC(=O)c1ccco1 CSC000157534 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.199 CCOC(=O)c1sccc1Br CSC011435733 [0,2,0,0,0,0|0,1,1]=4 90 B11R1.27 CCCNCc1cc(cs1)Br CSC000201691 [0,2,0,0,0,0|1,1,0]=4 91 B11R1.27 CCCNCc1ccc(o1)Br CSC000201683 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.27 CCCNCc1ccc(o1)C CSC000201666 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.27 CCCNCc1ccc(s1)C CSC000186950 [0,2,0,0,0,0|1,1,0]=4 94 B11R1.27 Cc1ccc(o1)CNCCO CSC000186668 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.27 Cc1ccc(s1)CNCCO CSC000186996 [0,2,0,0,0,0|1,1,0]=4 96 B11R1.27 OCCNCc1ccc(o1)Br CSC000200515 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.75 CC(C)NCc1cc(cs1)Br CSC000200251 [0,2,0,0,0,0|1,1,0]=4 98 B11R1.75 CC(C)NCc1ccc(s1)Br CSC000200255 [0,2,0,0,0,0|1,1,0]=4 99 B11R1.75 CC(C)NCc1ccc(s1)C CSC000200234 [0,2,0,0,0,0|1,1,0]=4 100 B11R1.4 CCCCNCc1ccco1 CSC000200681 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.4 CCCCNCc1cccs1 CSC000200673 [0,2,0,0,0,0|1,1,0]=4 102 B11R1.4 OCCCNCc1ccco1 CSC000200620 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.4 OCCCNCc1cccs1 CSC000187002 [0,2,0,0,0,0|1,1,0]=4 104 B11R1.25 CCC(=O)NCc1ccco1 CSC000157649 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.25 CCC(C)NCc1ccco1 CSC000199867 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.25 CCC(C)NCc1cccs1 CSC000187011 [0,2,0,0,0,0|1,1,0]=4 107 B11R1.25 CNC(=O)NCc1ccco1 CSC000233838 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.30 CCNC(=O)Cc1cccs1 CSC000160099 [0,2,0,0,0,0|1,1,0]=4 109 B11R1.30 CCOC(=O)Cc1cccs1 CSC000172993 [0,2,0,0,0,0|0,1,0]=3 110 B11R1.30 CCOC(=O)Cc1ccsc1 CSC000170396 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.30 CCOC(=O)Cc1cscn1 CSC012017151 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.30 CCOC(=O)Cn1cccn1 CSC011213127 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.30 CN(CCO)Cc1ccco1 CSC011309430 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.172 CC(C)CNCc1ccco1 CSC000200082 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.172 CC(C)CNCc1cccs1 CSC000187049 [0,2,0,0,0,0|1,1,0]=4 116 B11R1.172 CC(O)CNCc1ccco1 CSC000202024 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.172 CC(O)CNCc1cccs1 CSC000186852 [0,2,0,0,0,0|1,1,0]=4 118 B11R1.180 CCCNCc1cccn1C CSC000215833 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.180 CCCNCc1sccc1C CSC000189075 [0,2,0,0,0,0|1,1,0]=4 120 B11R1.180 Cc1ccsc1CNCCO CSC000189083 [0,2,0,0,0,0|1,1,0]=4 121 B11R1.180 Cn1cccc1CNCCO CSC000215827 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.90 CC(C)NCc1cccn1C CSC000219536 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.90 CC(C)NCc1sccc1Br CSC011541495 [0,2,0,0,0,0|1,1,0]=4 124 B11R1.90 CC(C)NCc1sccc1C CSC000200224 [0,2,0,0,0,0|1,1,0]=4 125 B11R1.510 CC(C)(C)NCc1ccco1 CSC000216215 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.510 CS(=O)(=O)NCc1ccco1 CSC000170911 [0,2,0,0,0,0|2,0,0]=4 127 B11R2.385 C(NC1CC1)c2cccs2 CSC000201566 [0,1,0,1,0,0|1,1,0]=4