0 B9R1.12 CCCSc1nnc[nH]1 CSC000000441 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.12 CCNCc1cccs1 CSC000186918 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.12 CCNCc1ccsc1 CSC000201226 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 CCSCc1ccco1 CSC000028914 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.12 OCCSc1cccs1 CSC011305907 [0,0,0,0,0,0|2,1,0]=3 5 B8R1.8 CCSc1cccs1 CSC009829625 [1,0,0,0,0,0|1,1,0]=3 6 B10R1.11 CCNC(=O)c1cccs1 CSC000160180 [0,1,0,0,0,0|1,1,1]=4 7 B10R1.11 CCNC(=O)c1cnco1 CSC016126841 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,1,0,0,0,0|1,0,1]=3 9 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,1,0,0,0,0|1,1,1]=4 10 B10R1.16 CCCCn1cc(cn1)Br CSC011400202 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.16 CCCCn1cc(cn1)I CSC012073163 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.16 CCNCc1cc(cs1)Br CSC000201283 [0,1,0,0,0,0|1,1,0]=3 13 B10R1.16 CCNCc1ccc(s1)C CSC000189073 [0,1,0,0,0,0|1,1,0]=3 14 B10R1.16 CCNCc1ccc(s1)Cl CSC000185262 [0,1,0,0,0,0|1,1,0]=3 15 B10R1.16 CCNCc1nc(cs1)C CSC011401589 [0,1,0,0,0,0|2,1,0]=4 16 B10R1.16 Cc1cnn(c1)CCCO CSC011363957 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.16 Cc1noc(n1)CCCN CSC000219298 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.16 OCCCn1cc(cn1)Br CSC011398341 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.16 OCCCn1cc(cn1)Cl CSC011398119 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.16 OCCCn1cc(cn1)I CSC012072729 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.21 CCCCSc1nnc[nH]1 CSC000018370 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.21 CCCNCc1cccs1 CSC000186944 [0,1,0,0,0,0|0,1,0]=2 23 B10R1.21 CCCNCc1ccsc1 CSC000201670 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.21 OCCNCc1ccco1 CSC000200452 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.21 OCCNCc1cccs1 CSC000200436 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.21 OCCNCc1cncs1 CSC011744557 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.27 CNC(=O)Cc1cccs1 CSC000159811 [0,1,0,0,0,0|1,1,1]=4 28 B10R1.27 COC(=O)Cc1cccs1 CSC000173319 [0,1,0,0,0,0|1,1,1]=4 29 B10R1.29 CCNCc1sccc1C CSC000186935 [0,1,0,0,0,0|1,1,0]=3 30 B10R1.66 CC(=O)NCc1cccs1 CSC000154743 [0,1,0,0,0,0|1,1,1]=4 31 B10R1.66 CC(C)NCc1ccsc1 CSC000200228 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.66 CC(C)NCc1nccs1 CSC011447379 [0,1,0,0,0,0|2,1,0]=4 33 B10R1.66 CC(C)SCc1ccco1 CSC000028915 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.17 CCCSc1ccccc1 CSC000005822 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.17 CCCSc1ccccn1 CSC000006455 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.17 CCSCc1ccccc1 CSC000006444 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.17 COCSc1ccccc1 CSC000000817 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.17 CSCCc1ccncc1 CSC015420737 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.17 OCCSc1ccccc1 CSC000230494 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.17 OCCSc1ccccn1 CSC000156319 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.17 OCCSc1ccncc1 CSC011297907 [0,0,0,0,0,1|3,0,0]=4 42 B9R1.7 CCCn1cc(cn1)Br CSC011400188 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.7 CCCn1cc(cn1)Cl CSC012129384 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.7 CCCn1cc(cn1)I CSC012073160 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.17 CCCCn1cnccc1=O CSC012650617 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.17 CCCOc1ccccc1Br CSC000174042 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.17 CCCOc1ccccc1C CSC000169983 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.17 CCCOc1ccccc1F CSC000173322 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.17 CCCSc1ccccc1Br CSC000230854 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.17 CCNCc1ccccc1F CSC000201217 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.28 CCCCNc1ccccn1 CSC000156416 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.28 CCCCSc1ncccn1 CSC000002571 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.28 CCCNCc1ccccn1 CSC000201641 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.28 CCCNCc1cccnc1 CSC000180834 [0,1,0,0,0,1|1,0,0]=3 82 B11R1.28 CCCNCc1ccncc1 CSC000180873 [0,1,0,0,0,1|1,0,0]=3 83 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.28 COCCOc1ccccc1 CSC000757042 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.28 COCCSc1ccccc1 CSC025761232 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.28 COCCSc1ccccn1 CSC000024487 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.28 CSCCOc1ccccc1 CSC000148400 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.28 OCCCOc1ccccc1 CSC011215863 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.28 OCCNCc1ccccn1 CSC000200435 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.28 OCCNCc1ccncc1 CSC000200482 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.91 CC(C)CNc1ccccn1 CSC000156674 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.91 CC(N)CNc1ccccn1 CSC011914399 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.15 CCNC(=O)c1ccc(o1)Br CSC000160144 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.15 CCOC(=O)c1ccc(o1)Br CSC000170220 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.29 CC(NCCN)c1ccco1 CSC011203454 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.29 CCCNC(=O)c1ccco1 CSC000161707 [0,2,0,0,0,0|0,0,1]=3 107 B11R1.29 CCCNC(=O)c1cccs1 CSC000161765 [0,2,0,0,0,0|0,1,1]=4 108 B11R1.29 CCCNC(=O)c1cnco1 CSC015260399 [0,2,0,0,0,0|1,0,1]=4 109 B11R1.29 CCCOC(=O)c1ccco1 CSC000169940 [0,2,0,0,0,0|0,0,1]=3 110 B11R1.29 OCCNC(=O)c1ccco1 CSC000158878 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.77 CC(C)NC(=O)c1ccco1 CSC000157534 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.27 CCCNCc1cc(cs1)Br CSC000201691 [0,2,0,0,0,0|0,1,0]=3 113 B11R1.27 CCCNCc1ccc(o1)Br CSC000201683 [0,2,0,0,0,0|0,0,0]=2 114 B11R1.27 CCCNCc1ccc(o1)C CSC000201666 [0,2,0,0,0,0|0,0,0]=2 115 B11R1.27 CCCNCc1ccc(s1)C CSC000186950 [0,2,0,0,0,0|0,1,0]=3 116 B11R1.27 Cc1ccc(o1)CNCCO CSC000186668 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.27 Cc1ccc(s1)CNCCO CSC000186996 [0,2,0,0,0,0|1,1,0]=4 118 B11R1.27 OCCNCc1ccc(o1)Br CSC000200515 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.75 CC(C)NCc1cc(cs1)Br CSC000200251 [0,2,0,0,0,0|1,1,0]=4 120 B11R1.75 CC(C)NCc1ccc(s1)Br CSC000200255 [0,2,0,0,0,0|1,1,0]=4 121 B11R1.75 CC(C)NCc1ccc(s1)C CSC000200234 [0,2,0,0,0,0|1,1,0]=4 122 B11R1.4 CCCCNCc1ccco1 CSC000200681 [0,2,0,0,0,0|0,0,0]=2 123 B11R1.4 CCCCNCc1cccs1 CSC000200673 [0,2,0,0,0,0|0,1,0]=3 124 B11R1.4 CCCCNCc1ccsc1 CSC000200702 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.4 COCCNCc1ccsc1 CSC000200155 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.4 COCCNCc1nccs1 CSC011447500 [0,2,0,0,0,0|1,1,0]=4 127 B11R1.4 OCCCNCc1ccco1 CSC000200620 [0,2,0,0,0,0|0,0,0]=2 128 B11R1.4 OCCCNCc1cccs1 CSC000187002 [0,2,0,0,0,0|0,1,0]=3 129 B11R1.4 OCCCNCc1ccsc1 CSC000200639 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.25 CCC(=O)NCc1ccco1 CSC000157649 [0,2,0,0,0,0|0,0,1]=3 131 B11R1.25 CCC(C)NCc1ccco1 CSC000199867 [0,2,0,0,0,0|0,0,0]=2 132 B11R1.25 CCC(C)NCc1cccs1 CSC000187011 [0,2,0,0,0,0|0,1,0]=3 133 B11R1.25 CCC(C)NCc1ccsc1 CSC000199887 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.25 CNC(=O)NCc1ccco1 CSC000233838 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.25 NNC(=O)CCc1ccco1 CSC000190050 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.30 CCNC(=O)Cc1cccs1 CSC000160099 [0,2,0,0,0,0|0,1,1]=4 137 B11R1.30 CCOC(=O)Cc1cccs1 CSC000172993 [0,2,0,0,0,0|0,1,1]=4 138 B11R1.30 CN(CCO)Cc1ccco1 CSC011309430 [0,2,0,0,0,0|1,0,0]=3 139 B11R1.172 CC(C)CNCc1ccco1 CSC000200082 [0,2,0,0,0,0|0,0,0]=2 140 B11R1.172 CC(C)CNCc1cccs1 CSC000187049 [0,2,0,0,0,0|0,1,0]=3 141 B11R1.172 CC(C)CNCc1ccsc1 CSC000201423 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.172 CC(C)CNCc1nccs1 CSC011381110 [0,2,0,0,0,0|1,1,0]=4 143 B11R1.172 CC(O)CNCc1ccco1 CSC000202024 [0,2,0,0,0,0|0,0,0]=2 144 B11R1.172 CC(O)CNCc1cccs1 CSC000186852 [0,2,0,0,0,0|0,1,0]=3 145 B11R1.172 CC(O)CNCc1ccsc1 CSC000202043 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.180 CCCNCc1cccn1C CSC000215833 [0,2,0,0,0,0|1,0,0]=3 147 B11R1.180 CCCNCc1sccc1C CSC000189075 [0,2,0,0,0,0|0,1,0]=3 148 B11R1.180 Cc1ccsc1CNCCO CSC000189083 [0,2,0,0,0,0|1,1,0]=4 149 B11R1.180 Cn1cccc1CNCCO CSC000215827 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.90 CC(C)NCc1cccn1C CSC000219536 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.90 CC(C)NCc1sccc1Br CSC011541495 [0,2,0,0,0,0|1,1,0]=4 152 B11R1.90 CC(C)NCc1sccc1C CSC000200224 [0,2,0,0,0,0|1,1,0]=4 153 B11R1.510 CC(C)(C)NCc1ccco1 CSC000216215 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.510 CS(=O)(=O)NCc1ccco1 CSC000170911 [0,2,0,0,0,0|2,0,0]=4 155 B11R2.10 Cc1nc2c(s1)CCCC2 CSC000169011 [0,1,0,1,0,0|1,1,0]=4 156 B11R2.351 Brc1cnn(c1)CC2CC2 CSC011400275 [0,1,0,1,0,0|2,0,0]=4 157 B11R2.352 Cc1csc(n1)C2CCC2 CSC012884175 [0,1,0,1,0,0|1,1,0]=4 158 B11R2.352 Cc1nc(cs1)C2CCC2 CSC015406873 [0,1,0,1,0,0|2,0,0]=4 159 B11R2.385 C(NC1CC1)c2cccs2 CSC000201566 [0,1,0,1,0,0|0,1,0]=3 160 B11R2.385 C(NC1CC1)c2ccsc2 CSC000201601 [0,1,0,1,0,0|2,0,0]=4 161 B11R2.385 C(NC1CC1)c2cncs2 CSC011446948 [0,1,0,1,0,0|1,1,0]=4 162 B11R2.385 C(NC1CC1)c2nccs2 CSC011697626 [0,1,0,1,0,0|1,1,0]=4