0 B7R1.3 C1CC(CNC1)O ACT02059 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 C1CC(COC1)O ACT09202 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 C1CC=CC(C1)O ACT10372 [0,0,0,0,0,0|0,0,2]=2 3 B7R1.3 C1CCN(CC1)N ACT09283 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 C1CCN(CC1)O ACT09755 [0,0,0,0,0,0|1,0,3]=4 5 B7R1.3 C1CNCCC1=O ACT02123 [0,0,0,0,0,0|1,0,2]=3 6 B7R1.3 C1COCCC1=O ACT01867 [0,0,0,0,0,0|1,0,2]=3 7 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,0,0,0,0,0|1,0,3]=4 8 B7R1.3 C1C[C@H](CNC1)N ACT04891 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.3 c1cc(cnc1)Br ACT01584 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.3 c1cc(cnc1)Cl ACT01563 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 c1cc(cnc1)I ACT07335 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.3 c1cc(cnc1)N ACT09740 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 c1cc(cnc1)O ACT07256 [0,0,0,0,0,0|1,0,3]=4 18 B7R1.3 c1ccc(cc1)Br ACT03428 [0,0,0,0,0,0|1,0,3]=4 19 B7R1.3 c1ccc(cc1)I ACT05473 [0,0,0,0,0,0|1,0,3]=4 20 B7R1.3 c1ccc(cc1)P ACT04087 [0,0,0,0,0,0|1,0,3]=4 21 B7R1.3 c1ccnc(c1)Br ACT05539 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.3 c1ccnc(c1)F ACT01456 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.3 c1ccnc(c1)I ACT09780 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.3 c1ccnc(c1)N ACT09785 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 c1ccnc(c1)O ACT08592 [0,0,0,0,0,0|1,0,3]=4 26 B7R1.3 c1ccnc(c1)S ACT05649 [0,0,0,0,0,0|1,1,2]=4 27 B7R1.3 c1cnccc1Br ACT03436 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 c1cnccc1Cl ACT01622 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.3 c1cnccc1N ACT05167 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.3 c1cnccc1O ACT05166 [0,0,0,0,0,0|1,0,3]=4 31 B7R1.3 c1cnccc1O ACT09926 [0,0,0,0,0,0|1,0,3]=4 32 B7R1.3 c1cnccc1S ACT05165 [0,0,0,0,0,0|1,1,2]=4 33 B6R1.1 c1ccncc1 ACT11913 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.2 c1cc(cnc1)C=O ACT04700 [0,1,0,0,0,0|1,0,2]=4 35 B8R1.2 c1ccnc(c1)C=O ACT07081 [0,1,0,0,0,0|1,0,2]=4 36 B8R1.2 c1cnccc1C=O ACT05935 [0,1,0,0,0,0|1,0,2]=4 37 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,1,0,0,0,0|1,0,1]=3 39 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,1,0,0,0,0|1,0,2]=4 40 B8R1.4 C1C(=O)OC(=O)CS1 ACT03974 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,1,0,0,0,0|1,0,1]=3 42 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,1,0,0,0,0|1,0,1]=3 43 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [0,1,0,0,0,0|1,0,1]=3 44 B8R1.5 CC1CNCCC1=O ACT09743 [0,1,0,0,0,0|1,0,2]=4 45 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [0,1,0,0,0,0|1,0,2]=4 46 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 CC#CC(=O)OC ACT09348 [0,0,1,0,0,0|1,0,2]=4 48 B6R0.1 CCCC(=O)SC ACT06405 [0,0,1,0,0,0|1,0,1]=3 49 B6R0.1 CCCC(C=C)O ACT06034 [0,0,1,0,0,0|0,0,2]=3 50 B6R0.1 CCOC(=O)C#C ACT08916 [0,0,1,0,0,0|1,0,2]=4 51 B6R0.1 CCOC(=O)CBr ACT01957 [0,0,1,0,0,0|2,0,1]=4 52 B6R0.1 CCOC(=O)CN ACT03311 [0,0,1,0,0,0|2,0,1]=4 53 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,0,1,0,0,0|2,0,1]=4 54 B6R0.1 CNCC(=O)OC ACT07185 [0,0,1,0,0,0|2,0,1]=4 55 B6R0.1 COC(=O)CCN ACT07866 [0,0,1,0,0,0|2,0,1]=4 56 B6R0.4 C(CC(=O)O)CN ACT11886 [0,0,1,0,0,0|2,0,0]=3 57 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,0,1,0,0,0|2,0,0]=3 59 B6R0.4 CC(=O)CCCO ACT07203 [0,0,1,0,0,0|1,0,1]=3 60 B6R0.4 CC(=O)NCCCl ACT10150 [0,0,1,0,0,0|2,0,1]=4 61 B6R0.4 CCCSC(=O)C ACT06394 [0,0,1,0,0,0|1,0,1]=3 62 B6R0.6 C=CCCCCCl ACT10617 [0,0,1,0,0,0|1,0,1]=3 63 B6R0.6 C=CCCCCO ACT10087 [0,0,1,0,0,0|0,0,2]=3 64 B6R0.6 C=CCSCC=C ACT06160 [0,0,1,0,0,0|2,0,0]=3 65 B6R0.6 CCC\C=C\C=O ACT06041 [0,0,1,0,0,0|0,0,0]=1 66 B6R1.2 C1CNC(=S)N1 ACT05417 [0,0,0,0,1,0|2,1,0]=4 67 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,0,0,0,1,0|2,0,1]=4 68 B6R1.2 Cc1cc[nH]c1 ACT05027 [0,0,0,0,1,0|2,0,1]=4 69 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,0,1,0|3,0,0]=4 70 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,0,1,0|3,0,0]=4 71 B6R1.2 c1cc(oc1)Br ACT11323 [0,0,0,0,1,0|2,0,1]=4 72 B6R1.2 c1cc(sc1)S ACT06594 [0,0,0,0,1,0|1,1,1]=4 73 B6R1.2 c1cscc1Br ACT10486 [0,0,0,0,1,0|2,0,1]=4 74 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,1,0,0,0|2,0,0]=4 75 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.1 CC(=CCS)C ACT06408 [1,0,1,0,0,0|2,0,0]=4 77 B5R0.1 CCSC(=O)C ACT06390 [1,0,1,0,0,0|1,0,0]=3 78 B5R0.1 CNCC(=O)O ACT04970 [1,0,1,0,0,0|2,0,0]=4 79 B5R0.2 C=CCCC=C ACT05312 [1,0,1,0,0,0|0,0,1]=3 80 B5R0.2 C=CCCCBr ACT10075 [1,0,1,0,0,0|1,0,0]=3 81 B5R0.2 C=CCCCO ACT03061 [1,0,1,0,0,0|0,0,1]=3 82 B5R0.3 CCC(C=C)O ACT06029 [1,0,1,0,0,0|0,0,2]=4 83 B5R0.3 COC(=O)CBr ACT01939 [1,0,1,0,0,0|2,0,0]=4 84 B5R0.3 COC(=O)CN ACT08376 [1,0,1,0,0,0|2,0,0]=4 85 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,1,0,0,0|1,0,1]=4 86 B7R0.3 COC(=O)CCSC ACT06346 [0,1,1,0,0,0|1,0,1]=4 87 B7R0.5 CCOC(=O)C(=O)Cl ACT12045 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.5 CCOC(=O)C(C)Br ACT02065 [0,1,1,0,0,0|1,0,1]=4 89 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [0,1,1,0,0,0|1,0,1]=4 90 B7R0.5 CCOC(=O)C(C)N ACT08470 [0,1,1,0,0,0|1,0,1]=4 91 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [0,1,1,0,0,0|1,0,1]=4 92 B7R0.7 CCOC(=O)C#CC ACT02922 [0,1,1,0,0,0|0,0,2]=4 93 B7R0.7 CCOC(=O)CCN ACT00057 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.7 CCOC(=O)CNC ACT08249 [0,1,1,0,0,0|1,0,1]=4 95 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,1,1,0,0,0|1,0,1]=4 96 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,1,1,0,0,0|1,0,1]=4 97 B7R0.4 C(CCN)CC(=O)O ACT10888 [0,1,1,0,0,0|1,0,1]=4 98 B7R0.4 C(CCl)OCC(=O)N ACT03751 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.4 CC(=O)CCCCBr ACT03439 [0,1,1,0,0,0|0,0,2]=4 100 B7R0.1 C=CCSSCC=C ACT06167 [0,1,1,0,0,0|2,0,0]=4 101 B7R0.1 CCC=CC=CC=O ACT06050 [0,1,1,0,0,0|0,0,1]=3 102 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,1,0,0,1,0|1,0,1]=4 103 B7R1.1 c1cscc1C=O ACT02286 [0,1,0,0,1,0|1,0,1]=4 104 B7R1.2 C1=CC(=O)NC1=O ACT09826 [0,1,0,0,1,0|1,0,1]=4 105 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [0,1,0,0,1,0|2,0,0]=4 106 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,1,0,0,1,0|1,0,0]=3 107 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,1,0,0,1,0|1,0,0]=3 108 B7R1.4 C1C(C(=O)NO1)N ACT10891 [0,1,0,0,1,0|2,0,0]=4 109 B7R1.4 C1CNC(=O)C1N ACT09401 [0,1,0,0,1,0|1,0,0]=3 110 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [0,1,0,0,1,0|2,0,0]=4 111 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [0,1,0,0,1,0|2,0,0]=4 112 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,1,0,0,1,0|1,0,1]=4 113 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,1,0,0,1,0|1,0,1]=4 114 B7R1.14 C1CCS(=O)(=O)C1 ACT10985 [0,1,0,0,1,0|1,0,1]=4 115 B9R1.5 C1CCNC(=O)C(C1)N ACT01818 [0,1,0,0,0,1|0,0,2]=4 116 B9R1.5 C1CCNC(=O)[C@H](C1)N ACT05209 [0,1,0,0,0,1|0,0,2]=4 117 B9R1.5 CN1CCCCCC1=O ACT05308 [0,1,0,0,0,1|0,0,2]=4 118 B9R1.49 CN1CCC(=O)NCC1 ACT09833 [0,1,0,0,0,1|1,0,1]=4 119 B9R1.1 COC1CCC(=O)CC1 ACT04530 [0,2,0,0,0,0|0,0,2]=4 120 B9R1.15 COC1CCCNC1=O ACT04469 [0,2,0,0,0,0|1,0,1]=4 121 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [0,0,1,1,0,0|2,0,0]=4 122 B9R2.39 C1[C@@H]2CC([C@H]1C=C2)O ACT11570 [0,1,0,1,0,0|1,0,1]=4 123 B5R1.1 C1C=CCN1 ACT12011 [1,0,0,0,1,0|1,0,0]=3 124 B5R1.1 C1CCCC1 ACT08097 [1,0,0,0,1,0|0,0,2]=4 125 B5R1.1 C1CCOC1 ACT09264 [1,0,0,0,1,0|1,0,1]=4 126 B5R1.1 c1cc[nH]c1 ACT06585 [1,0,0,0,1,0|1,0,1]=4