0 B12R1.1589 CC#CC(=O)C1C(=O)NN=C1C 1458a_100000763181_200009843013 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.1589 CC1=NNC(=O)C1C(=O)CCO 1458a_100011216618_200009843013 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.1589 CC=CC(=O)C1C(=O)NN=C1C 1458a_100000210699_200009843013 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.1589 CCCC(=O)C1C(=O)NN=C1C 1458a_100000211992_200009843013 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.1589 CCOC(=O)c1c(cnn1C)O 271570a_203496583355_100012569109 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.1589 CCOC(=O)c1c(n[nH]c1O)N 271570a_203496583355_100011165294 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.1589 COCC(=O)C1C(=O)NN=C1C 1458a_100000210968_200009843013 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.1589 CSCC(=O)C1C(=O)NN=C1C 1458a_100000184570_200009843013 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.199 CCOC(=O)c1[nH]ncc1O 271570a_203496583355_100102524952 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.199 CCOC(=O)c1c[nH]nc1O 271570a_203496583355_100010255357 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.199 CCOC(=O)c1ccsc1O 271570a_203496583355_100010219215 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.199 CCOC(=O)c1cscc1O 271570a_203496583355_100012353568 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.199 CCOC(=O)c1ocnc1O 271570a_203496583355_100010260153 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.199 CCOC(=O)c1scnc1O 271570a_203496583355_100012038550 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.465 CCCCc1c(n[nH]c1C)C 271570a_100020621405_100000238710 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.465 CCCCc1c(n[nH]c1N)C 271570a_100020621405_100000182022 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.465 CCCCc1c(noc1C)C 271570a_100020621405_100000694658 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.465 CCCOc1c(n[nH]c1C)C 34a_100012186652_100000210303 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.465 CCCSc1c(n[nH]c1C)C 62a_100000210303_100000238710 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.465 CCCSc1c(n[nH]c1C)C 62a_100000238710_100000210303 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.465 CCCSc1c(n[nH]c1N)C 62a_100000182022_100000210303 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.465 CCCSc1c(n[nH]c1N)C 62a_100000210303_100000182022 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.465 CCCSc1c(noc1C)C 62a_100000210303_100000694658 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.465 CCCSc1c(noc1C)C 62a_100000694658_100000210303 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.465 CCNCc1c(n[nH]c1C)C 207a_100015525214_100000739816 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.465 CCNCc1c(n[nH]c1C)C 270004a_100015525214_100000739816 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.465 CCNCc1c(n[nH]c1C)Cl 207a_100015525214_100000695511 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.465 CCNCc1c(n[nH]c1C)Cl 270004a_100015525214_100000695511 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.465 CCNCc1c(noc1C)C 207a_100015525214_100000181199 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.465 CCNCc1c(noc1C)C 2230a_100000174930_100000210202 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.465 CCNCc1c(noc1C)C 2230a_100015525214_100000184612 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.465 CCNCc1c(noc1C)C 34a_100000174930_100000210202 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.465 CCOCc1c(n[nH]c1C)C 7a_100000748363_100000210202 [1,0,0,0,0,0|0,0,1]=2 33 B11R1.465 CCOCc1c(noc1C)C 34a_100011219351_100000210202 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.465 CCOCc1c(noc1C)C 34a_100121572206_100000184612 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.465 CCSCc1c(noc1C)C 62a_100000184612_100000210202 [1,0,0,0,0,0|1,1,1]=4 36 B11R1.465 CCSCc1c(noc1C)C 62a_100000210202_100000184612 [1,0,0,0,0,0|1,1,1]=4 37 B11R1.465 CNCCc1c(n[nH]c1C)C 2230a_106832991635_100011219447 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.465 CNCCc1c(n[nH]c1C)C 34a_100102657272_100011219447 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.465 CNCCc1c(n[nH]c1C)C 7a_106832991635_100011219447 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.465 COCCc1c(n[nH]c1C)C 34a_100000693165_200000210301 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.465 COCCc1c(n[nH]c1C)C 34a_100138415774_100011219447 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.465 COCCc1c(n[nH]c1C)C 7a_100000693165_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.465 COCSc1c(n[nH]c1C)C 62a_100000238710_100000766300 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.465 COCSc1c(n[nH]c1C)C 62a_100000766300_100000238710 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.465 CSCCc1c(n[nH]c1C)C 62a_100011219447_200000210301 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.465 CSCCc1c(n[nH]c1C)C 62a_200000210301_100011219447 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.465 CSCOc1c(n[nH]c1C)C 34a_100012186652_100011218213 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.465 CSCSc1c(n[nH]c1C)C 62a_100000238710_100011218213 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.465 CSCSc1c(n[nH]c1C)C 62a_100011218213_100000238710 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.465 Cc1n[nH]c(c1CCO[13CH3])C 34a_100000693165_200025704644 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.465 Cc1n[nH]c(c1CCO[13CH3])C 7a_100000693165_200025704644 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.465 Cc1n[nH]c(c1CCS[13CH3])C 62a_100011219447_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.465 Cc1n[nH]c(c1CCS[13CH3])C 62a_200025704644_100011219447 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.465 Cc1n[nH]c(c1COCF)C 7a_100000748363_100015361967 [1,0,0,0,0,0|1,0,1]=3 55 B11R1.465 Cc1n[nH]c(c1OCCF)C 34a_100012186652_100011217306 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.465 Cc1n[nH]c(c1OCCO)C 34a_100012186652_100000211926 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.465 Cc1n[nH]c(c1SCCF)C 62a_100000238710_100011217306 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.465 Cc1n[nH]c(c1SCCF)C 62a_100011217306_100000238710 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.465 Cc1n[nH]c(c1SCCO)C 62a_100000211926_100000238710 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.465 Cc1n[nH]c(c1SCCO)C 62a_100000238710_100000211926 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.465 Cc1noc(c1COCF)C 34a_100011219351_100015361967 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.875 CC1=NNC(=O)C1C(=O)CO 1458a_100000210174_200009843013 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.875 CCC(=O)C1C(=O)NN=C1C 1458a_100000210414_200009843013 [1,0,0,0,0,0|1,0,1]=3 64 B11R1.875 COC(=O)c1c(cnn1C)O 271570a_203496583355_100010000105 [1,0,0,0,0,0|3,0,0]=4 65 B13R1.1524 C=Cc1[nH]nc(c1C(=O)OCC)N 271570a_100011290941_100011165294 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.1524 C=Cc1cnn(c1C(=O)OCC)C 271570a_100011290941_100012569109 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.1524 CCOC(=O)c1c(cnn1C)SC 62a_100012569109_200000210301 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.1524 CCOC(=O)c1c(cnn1C)SC 62a_200000210301_100012569109 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.1524 CCOC(=O)c1c(cnn1C)S[13CH3] 62a_100012569109_200025704644 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.1524 CCOC(=O)c1c(cnn1C)S[13CH3] 62a_200025704644_100012569109 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.1524 CCOC(=O)c1c(csc1C)OC 34a_100000078718_200000210301 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.1524 CCOC(=O)c1c(csc1C)OC 7a_100000078718_200000210301 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.1524 CCOC(=O)c1c(csc1C)O[13CH3] 34a_100000078718_200025704644 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.1524 CCOC(=O)c1c(csc1C)O[13CH3] 7a_100000078718_200025704644 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.1524 CCOC(=O)c1c(n[nH]c1SC)N 62a_200000210301_100011165294 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.1524 CCOC(=O)c1c(n[nH]c1S[13CH3])N 62a_200025704644_100011165294 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.2515 CC=NNC(=O)c1c(n[nH]c1C)C 4a_100011319611_200000210099 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.2515 CCC#CC(=O)C1C(=O)NN=C1C 1458a_100011827653_200009843013 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.2515 CCC=CC(=O)C1C(=O)NN=C1C 1458a_100000212282_200009843013 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.2515 CCCCC(=O)C1C(=O)NN=C1C 1458a_100000210183_200009843013 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.2515 CCNN=C(C)c1c(n[nH]c1C)C 4a_100000756455_200000189038 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.2515 CCOCC(=O)C1C(=O)NN=C1C 1458a_100000211967_200009843013 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.2515 CCSCC(=O)C1C(=O)NN=C1C 1458a_100000230394_200009843013 [0,1,0,0,0,0|1,1,1]=4 84 B13R1.2515 COCCC(=O)C1C(=O)NN=C1C 1458a_100000749529_200009843013 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.2515 CSCCC(=O)C1C(=O)NN=C1C 1458a_100000174002_200009843013 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.2647 CCC(C)C(=O)C1C(=O)NN=C1C 1458a_100011192722_200009843013 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.2647 CCC(O)C(=O)C1C(=O)NN=C1C 1458a_100011196387_200009843013 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.2647 CCN(C)C(C)c1c(n[nH]c1C)C 2230a_200020603512_100000210202 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.2647 CCN(C)C(C)c1c(n[nH]c1C)C 269982a_200020603512_100000204670 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.4456 CCNC(C)c1c(nn(c1C)C)C 2230a_100000746400_100000210202 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.4456 CCNC(C)c1c(nn(c1C)C)C 34a_100000746400_100000210202 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.4456 CCOC(=O)c1c(c(nn1C)C)O 271570a_203496583355_100009815406 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.5887 CC1=NNC(=O)C1C(=O)CC(C)C 1458a_100000210554_200009843013 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.5887 CC1=NNC(=O)C1C(=O)C[C@@H](C)O 1458a_100011933948_200009843013 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.5887 Cc1n[nH]c(c1[C@@H](N)CC(C)C)C 271570a_100015190218_100000238710 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.6116 CCNS(=O)(=O)c1c(n[nH]c1C)C 270084a_100015525214_100000184969 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.6116 CCNS(=O)(=O)c1c(n[nH]c1C)C 274078a_100015525214_100000184969 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.6116 CCNS(=O)(=O)c1c(noc1C)C 270084a_100015525214_100000198549 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.6116 CCNS(=O)(=O)c1c(noc1C)C 274078a_100015525214_100000198549 [0,1,0,0,0,0|3,0,0]=4 100 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,0,1,0,0,0|1,0,1]=3 101 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,0,1,0,0,0|2,0,1]=4 102 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,0,1,0,0,0|2,0,1]=4 103 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,0,1,0,0,0|2,0,1]=4 104 B13R2.3042 Cc1n[nH]c(c1C2=CCCC2)C 271570a_100000089523_100000238710 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.3042 Cc1n[nH]c(c1C2=CCCC2)N 271570a_100000089523_100000182022 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.3042 Cc1n[nH]c(c1C2=CCOC2)C 271570a_100009872500_100000238710 [0,0,0,1,0,0|3,0,0]=4 107 B13R2.3042 Cc1n[nH]c(c1C2=COCC2)C 271570a_100000118173_100000238710 [0,0,0,1,0,0|3,0,0]=4 108 B13R2.3042 Cc1n[nH]c(c1c2ccco2)C 271570a_100000067762_100009814098 [0,0,0,1,0,0|1,0,2]=4 109 B13R2.3042 Cc1n[nH]c(c1c2ccco2)C 271570a_100000750936_100000238710 [0,0,0,1,0,0|1,0,2]=4 110 B13R2.3042 Cc1n[nH]c(c1c2cnco2)C 271570a_100000067762_100020591547 [0,0,0,1,0,0|2,0,1]=4 111 B13R2.3042 Cc1n[nH]c(c1c2ncco2)C 271570a_100000067762_100011787736 [0,0,0,1,0,0|1,0,2]=4 112 B13R2.3042 Cc1noc(c1C2=CCCC2)C 271570a_100000089523_100000694658 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.10339 C=C(c1c(n[nH]c1C)C)C2CC2 271570a_100010895485_100000238710 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.10339 C=C(c1c(n[nH]c1N)C)C2CC2 271570a_100010895485_100000182022 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.10339 C=C(c1c(noc1C)C)C2CC2 271570a_100010895485_100000694658 [0,0,0,1,0,0|3,0,0]=4 116 B13R2.10339 CC1=NNC(=O)C1C(=O)C2CC2 1458a_100000210395_200009843013 [0,0,0,1,0,0|2,0,1]=4 117 B13R1.446 CCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210303 [0,0,0,0,0,1|3,0,0]=4 118 B13R1.446 CCNC(=O)c1cc(ccc1C)C 11a_100015525214_100000195421 [0,0,0,0,0,1|3,0,0]=4 119 B13R1.446 CCNC(=O)c1cc(ccc1C)C 240690a_100015525214_100000195421 [0,0,0,0,0,1|3,0,0]=4 120 B13R1.446 CCNC(=O)c1cc(ccc1C)C 527a_100015525214_100000195421 [0,0,0,0,0,1|3,0,0]=4 121 B13R1.446 CCOC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360117 [0,0,0,0,0,1|3,0,0]=4 122 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,0,0,0,0,1|3,0,0]=4 123 B13R1.446 CCOC(=O)c1cc(cnc1C)O 271570a_203496583355_100012232392 [0,0,0,0,0,1|2,0,0]=3 124 B13R1.446 CCOC(=O)c1cc(cnc1F)O 271570a_203496583355_200010189675 [0,0,0,0,0,1|3,0,0]=4 125 B13R1.446 CCOC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816981 [0,0,0,0,0,1|3,0,0]=4 126 B13R1.446 CCOC(=O)c1cc(cnc1O)C 271570a_203496583355_100009868943 [0,0,0,0,0,1|2,0,0]=3 127 B13R1.446 CCOC(=O)c1cc(cnc1O)F 271570a_203496583355_100012350521 [0,0,0,0,0,1|3,0,0]=4 128 B13R1.446 CCOC(=O)c1cc(cnc1O)N 271570a_203496583355_200012352213 [0,0,0,0,0,1|3,0,0]=4 129 B13R1.446 CCOC(=O)c1cc(cnc1O)O 271570a_203496583355_100010189763 [0,0,0,0,0,1|3,0,0]=4 130 B13R1.446 CCOC(=O)c1cc(n[nH]c1=O)O 271570a_203496583355_100015715099 [0,0,0,0,0,1|2,0,0]=3 131 B13R1.446 CCOC(=O)c1cc(ncc1C)O 271570a_203496583355_100000083727 [0,0,0,0,0,1|2,0,0]=3 132 B13R1.446 CCOC(=O)c1cc(ncc1F)O 271570a_203496583355_100010189748 [0,0,0,0,0,1|3,0,0]=4 133 B13R1.446 CCOC(=O)c1cc(ncc1N)O 271570a_203496583355_100010759034 [0,0,0,0,0,1|3,0,0]=4 134 B13R1.446 CCOC(=O)c1cc(nnc1N)O 271570a_203496583355_100010587492 [0,0,0,0,0,1|2,0,1]=4 135 B13R1.446 CCOC(=O)c1nc(ccc1C)O 271570a_203496583355_100009888570 [0,0,0,0,0,1|3,0,0]=4 136 B13R1.2565 C#CCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000184674 [0,0,0,0,0,1|1,0,2]=4 137 B13R1.2565 C=CCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000210623 [0,0,0,0,0,1|1,0,2]=4 138 B13R1.2565 CC#CC(=O)Cc1c(noc1C)C 1458a_100000763181_100000184612 [0,0,0,0,0,1|2,0,1]=4 139 B13R1.2565 CC=CC(=O)Cc1c(noc1C)C 1458a_100000210699_100000184612 [0,0,0,0,0,1|2,0,1]=4 140 B13R1.2565 CCCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000210303 [0,0,0,0,0,1|1,0,0]=2 141 B13R1.2565 CCCC(=O)Cc1c(noc1C)C 1458a_100000195403_100000210303 [0,0,0,0,0,1|2,0,0]=3 142 B13R1.2565 CCCC(=O)Cc1c(noc1C)C 1458a_100000211992_100000184612 [0,0,0,0,0,1|2,0,0]=3 143 B13R1.2565 CCCC(C)Oc1c(n[nH]c1C)C 34a_100012186652_100000766640 [0,0,0,0,0,1|2,0,1]=4 144 B13R1.2565 CCCC(C)Sc1c(n[nH]c1C)C 62a_100000238710_100000766640 [0,0,0,0,0,1|2,0,1]=4 145 B13R1.2565 CCCC(C)Sc1c(n[nH]c1C)C 62a_100000766640_100000238710 [0,0,0,0,0,1|2,0,1]=4 146 B13R1.2565 CCCN(C)Cc1c(n[nH]c1C)C 270004a_100000747261_100000739816 [0,0,0,0,0,1|3,0,0]=4 147 B13R1.2565 CCNC(=O)Cc1c(n[nH]c1C)C 240690a_100015525214_200000188034 [0,0,0,0,0,1|1,0,0]=2 148 B13R1.2565 CCNC(=O)Cc1c(n[nH]c1C)C 527a_100015525214_200000188034 [0,0,0,0,0,1|1,0,0]=2 149 B13R1.2565 CCNC(=O)Cc1c(noc1C)C 11a_100015525214_100000195403 [0,0,0,0,0,1|2,0,0]=3 150 B13R1.2565 CCNC(=O)Cc1c(noc1C)C 240690a_100015525214_100000195403 [0,0,0,0,0,1|2,0,0]=3 151 B13R1.2565 CCNC(=O)Cc1c(noc1C)C 527a_100015525214_100000195403 [0,0,0,0,0,1|2,0,0]=3 152 B13R1.2565 CCNC(C)Cc1c(n[nH]c1C)C 270004a_100015525214_100000069266 [0,0,0,0,0,1|2,0,1]=4 153 B13R1.2565 CNNC(=O)Cc1c(n[nH]c1C)C 22a_100016993582_200000188034 [0,0,0,0,0,1|2,0,0]=3 154 B13R1.2565 CNNC(=O)Cc1c(noc1C)C 22a_100016993582_100000195403 [0,0,0,0,0,1|3,0,0]=4 155 B13R1.2565 COCC(=O)Cc1c(noc1C)C 1458a_100000210968_100000184612 [0,0,0,0,0,1|3,0,0]=4 156 B13R1.2565 CSCC(=O)Cc1c(noc1C)C 1458a_100000184570_100000184612 [0,0,0,0,0,1|3,0,0]=4 157 B13R1.2565 Cc1n[nH]c(c1CC(=O)CC#N)C 1458a_200000188034_100011214920 [0,0,0,0,0,1|2,0,1]=4 158 B13R1.2565 Cc1n[nH]c(c1CC(=O)CCF)C 1458a_200000188034_100011217306 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.2565 Cc1n[nH]c(c1CC(=O)CCO)C 1458a_200000188034_100000211926 [0,0,0,0,0,1|2,0,0]=3 160 B13R1.2565 Cc1noc(c1CC(=O)CCF)C 1458a_100000195403_100011217306 [0,0,0,0,0,1|3,0,0]=4 161 B13R1.2565 Cc1noc(c1CC(=O)CCO)C 1458a_100000195403_100000211926 [0,0,0,0,0,1|3,0,0]=4 162 B13R1.2565 Cc1noc(c1CC(=O)CCO)C 1458a_100011216618_100000184612 [0,0,0,0,0,1|3,0,0]=4 163 B13R1.4453 CCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210303 [0,0,0,0,0,1|3,0,0]=4 164 B13R1.4453 CCNC(=O)c1c(cccc1C)C 11a_100015525214_100000758298 [0,0,0,0,0,1|3,0,0]=4 165 B13R1.4453 CCNC(=O)c1c(cccc1C)C 240690a_100015525214_100000758298 [0,0,0,0,0,1|3,0,0]=4 166 B13R1.4453 CCOC(=O)c1c(ccnc1O)C 271570a_203496583355_100010068243 [0,0,0,0,0,1|2,0,0]=3 167 B13R1.4453 CCOC(=O)c1c(ncnc1O)C 271570a_203496583355_200010876006 [0,0,0,0,0,1|1,0,1]=3 168 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [1,0,1,0,0,0|1,0,1]=4 169 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [1,0,1,0,0,0|0,0,2]=4 170 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [1,0,1,0,0,0|1,0,0]=3 171 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [1,0,1,0,0,0|1,0,0]=3 172 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [1,0,1,0,0,0|1,0,0]=3 173 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [1,0,1,0,0,0|2,0,0]=4 174 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [1,0,1,0,0,0|2,0,0]=4 175 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [1,0,1,0,0,0|2,0,0]=4 176 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [1,0,1,0,0,0|2,0,0]=4 177 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [1,0,1,0,0,0|2,0,0]=4 178 B10R0.18 CCNN=C(C)CC(=O)OC 4a_100000756455_100000210079 [1,0,1,0,0,0|0,0,2]=4 179 B10R0.91 CCCC=CC(=NNCC)C 4a_100000756455_100016262776 [1,0,1,0,0,0|1,0,1]=4 180 B10R1.29 CCCCc1c[nH]nc1C 271570a_100020621405_100011912673 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.29 CCCSc1c[nH]nc1C 62a_100000210303_100000692133 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.29 CCCSc1c[nH]nc1C 62a_100000692133_100000210303 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.29 CCNCc1c[nH]nc1C 207a_100015525214_100000737037 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.187 C=C=Cc1c(n[nH]c1C)C 271570a_100015277604_100000238710 [2,0,0,0,0,0|0,0,2]=4 185 B10R1.187 CC=Cc1c(n[nH]c1C)C 271570a_100016259895_100000238710 [2,0,0,0,0,0|0,0,1]=3 186 B10R1.187 CC=Cc1c(n[nH]c1N)C 271570a_100016259895_100000182022 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.187 CC=Cc1c(noc1C)C 271570a_100016259895_100000694658 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.187 CCOc1c(n[nH]c1C)C 34a_100012186652_100000210202 [2,0,0,0,0,0|0,0,0]=2 189 B10R1.187 CCSc1c(n[nH]c1C)C 62a_100000210202_100000238710 [2,0,0,0,0,0|0,1,0]=3 190 B10R1.187 CCSc1c(n[nH]c1C)C 62a_100000238710_100000210202 [2,0,0,0,0,0|0,1,0]=3 191 B10R1.187 CCSc1c(n[nH]c1N)C 62a_100000182022_100000210202 [2,0,0,0,0,0|1,1,0]=4 192 B10R1.187 CCSc1c(n[nH]c1N)C 62a_100000210202_100000182022 [2,0,0,0,0,0|1,1,0]=4 193 B10R1.187 CCSc1c(noc1C)C 62a_100000210202_100000694658 [2,0,0,0,0,0|1,1,0]=4 194 B10R1.187 CCSc1c(noc1C)C 62a_100000694658_100000210202 [2,0,0,0,0,0|1,1,0]=4 195 B10R1.187 CNCc1c(n[nH]c1C)C 207a_100102657272_100000739816 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.187 CNCc1c(n[nH]c1C)C 270004a_106832991635_100000739816 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.187 COCc1c(n[nH]c1C)C 7a_100000748363_200000210301 [2,0,0,0,0,0|0,0,1]=3 198 B10R1.187 COCc1c(noc1C)C 34a_100011219351_200000210301 [2,0,0,0,0,0|1,0,1]=4 199 B10R1.187 COCc1c(noc1C)C 34a_100138415774_100000184612 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.187 Cc1n[nH]c(c1CO[13CH3])C 7a_100000748363_200025704644 [2,0,0,0,0,0|0,0,1]=3 201 B10R1.187 Cc1n[nH]c(c1OCF)C 34a_100012186652_100015361967 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.187 Cc1n[nH]c(c1SCF)C 62a_100000238710_100015361967 [2,0,0,0,0,0|1,1,0]=4 203 B10R1.187 Cc1n[nH]c(c1SCF)C 62a_100015361967_100000238710 [2,0,0,0,0,0|1,1,0]=4 204 B10R1.187 Cc1noc(c1CO[13CH3])C 34a_100011219351_200025704644 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.192 C=C(C)c1c(n[nH]c1C)C 271570a_100000694244_100000238710 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.192 C=C(C)c1c(n[nH]c1N)C 271570a_100000694244_100000182022 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.192 C=C(C)c1c(noc1C)C 271570a_100000694244_100000694658 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.192 CC(=O)C1C(=O)NN=C1C 1458a_100000070787_200009843013 [2,0,0,0,0,0|1,0,1]=4 209 B12R0.68 CCOC(=O)C=C(C)CN(C)CC 2230a_100000225621_100135422193 [0,1,1,0,0,0|1,0,1]=4 210 B12R0.68 CCOC(=O)C=C(C)CN(C)CC 269982a_100000225621_100135422193 [0,1,1,0,0,0|1,0,1]=4 211 B12R0.103 CCCOC(=O)CC(=NNCC)C 4a_100000756455_200000037925 [0,1,1,0,0,0|0,0,2]=4 212 B12R0.239 C=CCNCC(=CC(=O)OCC)C 2230a_100020586998_100135422193 [0,1,1,0,0,0|1,0,1]=4 213 B12R0.239 CCNN=C/C(=C/C(=O)OCC)/C 4a_100000756455_200016988100 [0,1,1,0,0,0|0,0,1]=3 214 B12R0.239 CCOC(=O)C=C(C)CNCCF 34a_100000724931_100135422193 [0,1,1,0,0,0|1,0,1]=4 215 B12R0.239 CCOC(=O)C=C(C)CNCCO 2230a_100016997473_100135422193 [0,1,1,0,0,0|1,0,1]=4 216 B12R0.239 CCOC(=O)C=C(C)CNCCO 34a_100016990907_100135422193 [0,1,1,0,0,0|1,0,1]=4 217 B12R0.283 CCOC(=O)C=C(C)CNC(C)C 2230a_100138425928_100135422193 [0,1,1,0,0,0|1,0,1]=4 218 B12R0.283 CCOC(=O)C=C(C)CNC(C)C 34a_100138425928_100135422193 [0,1,1,0,0,0|1,0,1]=4 219 B12R0.353 CCNN=C(C)C(C)C(=O)OCC 4a_100000756455_100011215780 [0,1,1,0,0,0|0,0,2]=4 220 B12R0.353 CCNN=C(C)C(F)C(=O)OCC 4a_100000756455_100011197482 [0,1,1,0,0,0|0,0,2]=4 221 B12R0.607 CCNN=C(CC)CC(=O)OCC 4a_100000756455_100000758052 [0,1,1,0,0,0|0,0,2]=4 222 B12R1.313 CCOC(=O)c1[nH]c(nc1C)O 271570a_203496583355_100000700896 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.313 CCOC(=O)c1cn(nc1O)C 271570a_203496583355_100010687020 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.313 CCOC(=O)c1sc(nc1C)O 271570a_203496583355_100000689613 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.316 C=Cc1n[nH]cc1C(=O)OCC 271570a_100011290941_100010255357 [1,1,0,0,0,0|0,0,1]=3 226 B12R1.316 CCOC(=O)c1[nH]ncc1SC 62a_200000210301_100102524952 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.316 CCOC(=O)c1[nH]ncc1S[13CH3] 62a_200025704644_100102524952 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.316 CCOC(=O)c1c[nH]nc1SC 62a_200000210301_100010255357 [1,1,0,0,0,0|0,0,0]=2 229 B12R1.316 CCOC(=O)c1c[nH]nc1S[13CH3] 62a_200025704644_100010255357 [1,1,0,0,0,0|0,0,0]=2 230 B12R1.316 CCOC(=O)c1ccsc1SC 62a_200000210301_100010219215 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.316 CCOC(=O)c1ccsc1S[13CH3] 62a_200025704644_100010219215 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.316 CCOC(=O)c1cscc1SC 62a_200000210301_100012353568 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.316 CCOC(=O)c1cscc1S[13CH3] 62a_200025704644_100012353568 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.316 CCOC(=O)c1ocnc1SC 62a_200000210301_100010260153 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.316 CCOC(=O)c1ocnc1S[13CH3] 62a_200025704644_100010260153 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.316 CCOC(=O)c1scnc1SC 62a_200000210301_100012038550 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.316 CCOC(=O)c1scnc1S[13CH3] 62a_200025704644_100012038550 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.460 CCNN=C(C)c1cn[nH]c1C 4a_100000756455_100000742407 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.512 CCNS(=O)(=O)c1cn[nH]c1C 270084a_100015525214_100000742888 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.512 CCNS(=O)(=O)c1cn[nH]c1C 274078a_100015525214_100000742888 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.1579 CCOC(=O)c1n[nH]c(c1C)O 271570a_203496583355_100010141108 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.567 C#CCOCc1c(n[nH]c1C)C 7a_100000748363_100000038162 [1,1,0,0,0,0|0,0,2]=4 243 B12R1.567 C=CCOCc1c(n[nH]c1C)C 7a_100000748363_100015514636 [1,1,0,0,0,0|0,0,2]=4 244 B12R1.567 CCCC=Cc1c(n[nH]c1C)C 271570a_100016258520_100000238710 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.567 CCCC=Cc1c(n[nH]c1N)C 271570a_100016258520_100000182022 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.567 CCCC=Cc1c(noc1C)C 271570a_100016258520_100000694658 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.567 CCCCOc1c(n[nH]c1C)C 34a_100012186652_100000210210 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.567 CCCCSc1c(n[nH]c1C)C 62a_100000210211_100000238710 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.567 CCCCSc1c(n[nH]c1C)C 62a_100000238710_100000210210 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.567 CCCNCc1c(n[nH]c1C)C 207a_100020643023_100000739816 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.567 CCCNCc1c(n[nH]c1C)C 270004a_100020643023_100000739816 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.567 CCCOCc1c(n[nH]c1C)C 7a_100000748363_100000210303 [1,1,0,0,0,0|0,0,1]=3 253 B12R1.567 CCCOCc1c(noc1C)C 34a_100000210258_100000184612 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.567 CCCOCc1c(noc1C)C 34a_100011219351_100000210303 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.567 CCNCCc1c(n[nH]c1C)C 2230a_100015525214_100011219447 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.567 CCNN=Cc1c(n[nH]c1C)C 4a_100000756455_100000739816 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.567 CCNN=Cc1c(n[nH]c1C)Cl 4a_100000756455_100000695511 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.567 CCNN=Cc1c(noc1C)C 4a_100000756455_100000181199 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.567 CCOC=Cc1c([nH][nH]c1=O)C 271570a_100016256518_100000686169 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.567 CCOC=Cc1c(n[nH]c1C)C 271570a_100016256518_100000238710 [1,1,0,0,0,0|0,0,0]=2 261 B12R1.567 CCOC=Cc1c(n[nH]c1N)C 271570a_100016256518_100000182022 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.567 CCOC=Cc1c(nnn1C)C 271570a_100016256518_100016037793 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.567 CCOC=Cc1c(noc1C)C 271570a_100016256518_100000694658 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.567 CCOC=Cc1c(noc1C)N 271570a_100016256518_100011216220 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.567 CCOC=Cc1c(noc1C)O 271570a_100016256518_100010730664 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.567 CCOC=Cc1c(noc1N)C 271570a_100016256518_100000754107 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.567 CCOC=Cc1c(nsc1N)C 271570a_100016256518_100000701153 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.567 CCOCCc1c(n[nH]c1C)C 34a_100000693165_100000210202 [1,1,0,0,0,0|0,0,1]=3 269 B12R1.567 CCOCCc1c(n[nH]c1C)C 34a_100121572206_100011219447 [1,1,0,0,0,0|0,0,1]=3 270 B12R1.567 CCOCCc1c(n[nH]c1C)C 7a_100000693165_100000210202 [1,1,0,0,0,0|0,0,1]=3 271 B12R1.567 CCOCCc1c(noc1C)C 34a_200000044818_100000210202 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.567 CCOCCc1c(noc1C)C 7a_200000044818_100000210202 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.567 CCOCSc1c(n[nH]c1C)C 62a_100000238710_100000739092 [1,1,0,0,0,0|0,0,1]=3 274 B12R1.567 CCOCSc1c(n[nH]c1C)C 62a_100000739092_100000238710 [1,1,0,0,0,0|0,0,1]=3 275 B12R1.567 CCOCSc1c(n[nH]c1N)C 62a_100000182022_100000739092 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.567 CCOCSc1c(n[nH]c1N)C 62a_100000739092_100000182022 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.567 CCOCSc1c(noc1C)C 62a_100000694658_100000739092 [1,1,0,0,0,0|1,0,1]=4 278 B12R1.567 CCOCSc1c(noc1C)C 62a_100000739092_100000694658 [1,1,0,0,0,0|1,0,1]=4 279 B12R1.567 CCSCCc1c(n[nH]c1C)C 62a_100000210202_100011219447 [1,1,0,0,0,0|0,1,1]=4 280 B12R1.567 CCSCCc1c(n[nH]c1C)C 62a_100011219447_100000210202 [1,1,0,0,0,0|0,1,1]=4 281 B12R1.567 CNCCCc1c(n[nH]c1C)C 2230a_100161116277_200000210301 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.567 COCC=Cc1c(n[nH]c1C)C 271570a_100016286323_100000238710 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.567 COCC=Cc1c(n[nH]c1N)C 271570a_100016286323_100000182022 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.567 COCC=Cc1c(noc1C)C 271570a_100016286323_100000694658 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.567 COCCOc1c(n[nH]c1C)C 34a_100012186652_100011201679 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.567 COCCSc1c(n[nH]c1C)C 62a_100000233755_100000238710 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.567 COCCSc1c(n[nH]c1C)C 62a_100000238710_100000233755 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.567 CSCCOc1c(n[nH]c1C)C 34a_100012186652_100000212216 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.567 CSCCSc1c(n[nH]c1C)C 62a_100000212216_100000238710 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.567 CSCCSc1c(n[nH]c1C)C 62a_100000238710_100000751147 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.567 CSCOCc1c(noc1C)C 34a_100011219351_100011218213 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.567 Cc1n[nH]c(c1CCCN[13CH3])C 2230a_100161116277_200025704644 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.567 Cc1n[nH]c(c1CCOCF)C 34a_100000693165_100015361967 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.567 Cc1n[nH]c(c1CCOCF)C 7a_100000693165_100015361967 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.567 Cc1n[nH]c(c1CNCCO)C 207a_100000210304_100000739816 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.567 Cc1n[nH]c(c1CNCCO)C 270004a_100000210304_100000739816 [1,1,0,0,0,0|1,0,1]=4 297 B12R1.567 Cc1n[nH]c(c1COCC#N)C 7a_100000748363_100011215382 [1,1,0,0,0,0|0,0,2]=4 298 B12R1.567 Cc1n[nH]c(c1COCC=O)C 7a_100000748363_200015260668 [1,1,0,0,0,0|0,0,2]=4 299 B12R1.567 Cc1n[nH]c(c1COCCF)C 7a_100000748363_100011217306 [1,1,0,0,0,0|0,0,1]=3 300 B12R1.567 Cc1n[nH]c(c1COCCO)C 7a_100000748363_100000211926 [1,1,0,0,0,0|0,0,1]=3 301 B12R1.567 Cc1n[nH]c(c1OCCCF)C 34a_100012186652_100011934791 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.567 Cc1n[nH]c(c1OCCCO)C 34a_100012186652_100000230001 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.567 Cc1n[nH]c(c1SCCCF)C 62a_100000238710_100011934791 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.567 Cc1n[nH]c(c1SCCCF)C 62a_100011934791_100000238710 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.567 Cc1n[nH]c(c1SCCCO)C 62a_100000238710_100011215043 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.567 Cc1n[nH]c(c1SCCCO)C 62a_100011215043_100000238710 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.567 Cc1noc(c1COCCBr)C 34a_100000211926_100000184612 [1,1,0,0,0,0|1,0,1]=4 308 B12R1.567 Cc1noc(c1COCCF)C 34a_100011219351_100011217306 [1,1,0,0,0,0|1,0,1]=4 309 B12R1.567 Cc1noc(c1COCCN)C 34a_100000210304_100000184612 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.567 Cc1noc(c1COCCO)C 34a_100011219351_100000211926 [1,1,0,0,0,0|1,0,1]=4 311 B12R1.803 CCCCc1c(n[nH]c1CO)C 271570a_100020621405_100015664438 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.803 CCCSc1c(n[nH]c1CO)C 62a_100000210303_100015664438 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.803 CCCSc1c(n[nH]c1CO)C 62a_100015664438_100000210303 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.895 Cc1n[nH]c(c1C=CC(C)C)C 271570a_100016257149_100000238710 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.895 Cc1n[nH]c(c1C=CC(C)C)N 271570a_100016257149_100000182022 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.895 Cc1n[nH]c(c1C=CC(C)O)C 271570a_200011019289_100000238710 [1,1,0,0,0,0|1,0,0]=3 317 B12R1.895 Cc1n[nH]c(c1C=CC(C)O)N 271570a_200011019289_100000182022 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.895 Cc1n[nH]c(c1CNC(C)C)C 207a_100138425928_100000739816 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.895 Cc1n[nH]c(c1COC(C)C)C 7a_100000748363_100000210206 [1,1,0,0,0,0|0,0,1]=3 320 B12R1.895 Cc1n[nH]c(c1OCC(C)C)C 34a_100012186652_100000210624 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.895 Cc1n[nH]c(c1OCC(C)O)C 34a_100012186652_100011218427 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.895 Cc1n[nH]c(c1OC[C@@H](C)O)C 34a_100012186652_100009817552 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.895 Cc1n[nH]c(c1SCC(C)C)C 62a_100000210624_100000238710 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.895 Cc1n[nH]c(c1SCC(C)C)C 62a_100000238710_100000210760 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.895 Cc1n[nH]c(c1SCC(C)O)C 62a_100000238710_100011218427 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.895 Cc1n[nH]c(c1SCC(C)O)C 62a_100011218427_100000238710 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.895 Cc1n[nH]c(c1SC[C@@H](C)O)C 62a_100000238710_100009817552 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.895 Cc1n[nH]c(c1SC[C@@H](C)O)C 62a_100009817552_100000238710 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.895 Cc1noc(c1C=CC(C)C)C 271570a_100016257149_100000694658 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.895 Cc1noc(c1C=CC(C)O)C 271570a_200011019289_100000694658 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.895 Cc1noc(c1COC(C)C)C 34a_100000212225_100000184612 [1,1,0,0,0,0|1,0,1]=4 332 B12R1.895 Cc1noc(c1COC(C)C)C 34a_100011219351_100000210206 [1,1,0,0,0,0|1,0,1]=4 333 B12R1.1624 CCCCc1c(nn(c1C)C)C 271570a_100020621405_100000239273 [1,1,0,0,0,0|1,0,1]=4 334 B12R1.1624 CCCOc1c(nn(c1C)C)C 34a_100000760000_100000210303 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.1624 CCCOc1c(nn(c1C)C)C 7a_100000760000_100000210303 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.1624 CCCSc1c(nn(c1C)C)C 62a_100000210303_100011216884 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.1624 CCCSc1c(nn(c1C)C)C 62a_100011216884_100000210303 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.1624 CCNCc1c(nn(c1C)C)C 207a_100015525214_100000179750 [1,1,0,0,0,0|1,0,1]=4 339 B12R1.1624 CCNCc1c(nn(c1C)C)C 270004a_100015525214_100000179750 [1,1,0,0,0,0|1,0,1]=4 340 B12R1.1624 CCNCc1c(nn(c1C)C)C 34a_100000749052_100000210202 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.1624 CCOCc1c(nn(c1C)C)C 34a_100011266434_100000210202 [1,1,0,0,0,0|0,0,1]=3 342 B12R1.1624 CCOCc1c(nn(c1C)C)C 7a_100011266434_100000210202 [1,1,0,0,0,0|0,0,1]=3 343 B12R1.1624 CCOCc1c(nn(c1Cl)C)C 34a_100000757652_100000210202 [1,1,0,0,0,0|1,0,1]=4 344 B12R1.1624 CCOCc1c(nn(c1Cl)C)C 7a_100000757652_100000210202 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.1624 Cc1nn(c(c1COCF)C)C 34a_100011266434_100015361967 [1,1,0,0,0,0|1,0,1]=4 346 B12R1.1624 Cc1nn(c(c1COCF)C)C 7a_100011266434_100015361967 [1,1,0,0,0,0|1,0,1]=4 347 B12R1.2217 CCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000210202 [1,1,0,0,0,0|1,0,1]=4 348 B12R1.2217 CCC(C)Oc1c(n[nH]c1C)C 34a_100012186652_100011215416 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.2217 CCC(C)Sc1c(n[nH]c1C)C 62a_100000238710_100000758301 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.2217 CCC(C)Sc1c(n[nH]c1C)C 62a_100000758301_100000238710 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.658 COC(=O)c1c(cnn1C)SC 62a_100010000105_200000210301 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.658 COC(=O)c1c(cnn1C)SC 62a_200000210301_100010000105 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.658 COC(=O)c1c(cnn1C)S[13CH3] 62a_100010000105_200025704644 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.658 COC(=O)c1c(cnn1C)S[13CH3] 62a_200025704644_100010000105 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.897 CC(=C(C)c1c(n[nH]c1C)C)C 271570a_200000049429_100000238710 [1,1,0,0,0,0|1,0,1]=4 356 B12R1.897 CC1=NNC(=O)C1C(=O)C(C)C 1458a_100000210198_200009843013 [1,1,0,0,0,0|1,0,1]=4 357 B12R1.897 CC1=NNC(=O)C1C(=O)C(C)F 1458a_100000062450_200009843013 [1,1,0,0,0,0|1,0,1]=4 358 B12R1.897 CC1=NNC(=O)C1C(=O)[C@@H](C)O 1458a_100000717761_200009843013 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.897 CC1=NNC(=O)C1C(=O)[C@H](C)O 1458a_217856618621_200009843013 [1,1,0,0,0,0|1,0,1]=4 360 B12R1.1191 CNS(=O)(=O)c1c(n[nH]c1C)C 270084a_100102657272_100000184969 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.1191 CNS(=O)(=O)c1c(n[nH]c1C)C 274078a_100102657272_100000184969 [1,1,0,0,0,0|2,0,0]=4 362 B14R1.599 C=Cc1ncc(cc1C(=O)OCC)C 271570a_100011290941_100009868943 [0,1,0,0,0,1|1,0,1]=4 363 B14R1.599 CCOC(=O)c1cc(ccc1OC)C 7a_200011212139_200000210301 [0,1,0,0,0,1|2,0,0]=4 364 B14R1.599 CCOC(=O)c1cc(ccc1O[13CH3])C 7a_200011212139_200025704644 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.599 CCOC(=O)c1cc(ccc1SC)C 62a_200000210301_200012353901 [0,1,0,0,0,1|2,0,0]=4 366 B14R1.599 CCOC(=O)c1cc(ccc1SC)C 62a_200012353901_200000210301 [0,1,0,0,0,1|2,0,0]=4 367 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])C 62a_200012353901_200025704644 [0,1,0,0,0,1|2,0,0]=4 368 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_200012353901 [0,1,0,0,0,1|2,0,0]=4 369 B14R1.599 CCOC(=O)c1cc(cnc1NC)C 27a_100102657272_100009868943 [0,1,0,0,0,1|1,0,0]=3 370 B14R1.599 CCOC(=O)c1cc(cnc1OC)O 271570a_203496583355_200010189771 [0,1,0,0,0,1|2,0,0]=4 371 B14R1.599 CCOC(=O)c1cc(cnc1SC)C 62a_200000210301_100009868943 [0,1,0,0,0,1|1,0,0]=3 372 B14R1.599 CCOC(=O)c1cc(cnc1SC)F 62a_200000210301_100012350521 [0,1,0,0,0,1|2,0,0]=4 373 B14R1.599 CCOC(=O)c1cc(cnc1SC)N 62a_200000210301_200012352213 [0,1,0,0,0,1|2,0,0]=4 374 B14R1.599 CCOC(=O)c1cc(cnc1S[13CH3])C 62a_200025704644_100009868943 [0,1,0,0,0,1|1,0,0]=3 375 B14R1.599 CCOC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100012350521 [0,1,0,0,0,1|2,0,0]=4 376 B14R1.599 CCOC(=O)c1cc(cnc1S[13CH3])N 62a_200025704644_200012352213 [0,1,0,0,0,1|2,0,0]=4 377 B14R1.599 CCOC(=O)c1cc(nnc1NC)C 27a_100102657272_200010897450 [0,1,0,0,0,1|0,0,1]=3 378 B14R1.599 CCOC(=O)c1cc(nnc1SC)C 62a_200000210301_200010897450 [0,1,0,0,0,1|0,0,1]=3 379 B14R1.599 CCOC(=O)c1cc(nnc1S[13CH3])C 62a_200025704644_200010897450 [0,1,0,0,0,1|0,0,1]=3 380 B14R1.601 C=Cc1cc(c(=O)[nH]n1)C(=O)OCC 271570a_100011290941_100015715099 [0,1,0,0,0,1|1,0,1]=4 381 B14R1.601 C=Cc1cc(c(cn1)C)C(=O)OCC 271570a_100011290941_100000083727 [0,1,0,0,0,1|1,0,1]=4 382 B14R1.601 C=Cc1cnc(c(c1)C(=O)OCC)C 271570a_100011290941_100012232392 [0,1,0,0,0,1|1,0,1]=4 383 B14R1.601 CCOC(=O)c1cc(ccc1C)SC 62a_100012360117_200000210301 [0,1,0,0,0,1|2,0,0]=4 384 B14R1.601 CCOC(=O)c1cc(ccc1C)SC 62a_200000210301_100012360117 [0,1,0,0,0,1|2,0,0]=4 385 B14R1.601 CCOC(=O)c1cc(ccc1C)S[13CH3] 62a_100012360117_200025704644 [0,1,0,0,0,1|2,0,0]=4 386 B14R1.601 CCOC(=O)c1cc(ccc1C)S[13CH3] 62a_200025704644_100012360117 [0,1,0,0,0,1|2,0,0]=4 387 B14R1.601 CCOC(=O)c1cc(cnc1C)SC 62a_100012232392_200000210301 [0,1,0,0,0,1|1,0,0]=3 388 B14R1.601 CCOC(=O)c1cc(cnc1C)SC 62a_200000210301_100012232392 [0,1,0,0,0,1|1,0,0]=3 389 B14R1.601 CCOC(=O)c1cc(cnc1C)S[13CH3] 62a_100012232392_200025704644 [0,1,0,0,0,1|1,0,0]=3 390 B14R1.601 CCOC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100012232392 [0,1,0,0,0,1|1,0,0]=3 391 B14R1.601 CCOC(=O)c1cc(cnc1F)SC 62a_200000210301_200010189675 [0,1,0,0,0,1|2,0,0]=4 392 B14R1.601 CCOC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_200010189675 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.601 CCOC(=O)c1cc(cnc1N)SC 62a_100009816981_200000210301 [0,1,0,0,0,1|2,0,0]=4 394 B14R1.601 CCOC(=O)c1cc(cnc1N)SC 62a_200000210301_100009816981 [0,1,0,0,0,1|2,0,0]=4 395 B14R1.601 CCOC(=O)c1cc(cnc1N)S[13CH3] 62a_100009816981_200025704644 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.601 CCOC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100009816981 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.601 CCOC(=O)c1cc(cnc1O)CC 271570a_203496583355_200010006761 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.601 CCOC(=O)c1cc(cnc1O)SC 62a_200000210301_100010189763 [0,1,0,0,0,1|2,0,0]=4 399 B14R1.601 CCOC(=O)c1cc(cnc1O)S[13CH3] 62a_200025704644_100010189763 [0,1,0,0,0,1|2,0,0]=4 400 B14R1.601 CCOC(=O)c1cc(n[nH]c1=O)SC 62a_200000210301_100015715099 [0,1,0,0,0,1|1,0,0]=3 401 B14R1.601 CCOC(=O)c1cc(n[nH]c1=O)S[13CH3] 62a_200025704644_100015715099 [0,1,0,0,0,1|1,0,0]=3 402 B14R1.601 CCOC(=O)c1cc(ncc1C)SC 62a_200000210301_100000083727 [0,1,0,0,0,1|1,0,0]=3 403 B14R1.601 CCOC(=O)c1cc(ncc1C)S[13CH3] 62a_200025704644_100000083727 [0,1,0,0,0,1|1,0,0]=3 404 B14R1.601 CCOC(=O)c1cc(ncc1F)SC 62a_100010189748_200000210301 [0,1,0,0,0,1|2,0,0]=4 405 B14R1.601 CCOC(=O)c1cc(ncc1F)SC 62a_200000210301_100010189748 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.601 CCOC(=O)c1cc(ncc1F)S[13CH3] 62a_100010189748_200025704644 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.601 CCOC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100010189748 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.601 CCOC(=O)c1cc(ncc1N)SC 62a_100010759034_200000210301 [0,1,0,0,0,1|2,0,0]=4 409 B14R1.601 CCOC(=O)c1cc(ncc1N)SC 62a_200000210301_100010759034 [0,1,0,0,0,1|2,0,0]=4 410 B14R1.601 CCOC(=O)c1cc(ncc1N)S[13CH3] 62a_100010759034_200025704644 [0,1,0,0,0,1|2,0,0]=4 411 B14R1.601 CCOC(=O)c1cc(ncc1N)S[13CH3] 62a_200025704644_100010759034 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.601 CCOC(=O)c1cc(nnc1N)SC 62a_100010587492_200000210301 [0,1,0,0,0,1|1,0,1]=4 413 B14R1.601 CCOC(=O)c1cc(nnc1N)SC 62a_200000210301_100010587492 [0,1,0,0,0,1|1,0,1]=4 414 B14R1.601 CCOC(=O)c1cc(nnc1N)S[13CH3] 62a_100010587492_200025704644 [0,1,0,0,0,1|1,0,1]=4 415 B14R1.601 CCOC(=O)c1cc(nnc1N)S[13CH3] 62a_200025704644_100010587492 [0,1,0,0,0,1|1,0,1]=4 416 B14R1.601 CCOC(=O)c1nc(ccc1C)SC 62a_200000210301_100009888570 [0,1,0,0,0,1|2,0,0]=4 417 B14R1.601 CCOC(=O)c1nc(ccc1C)S[13CH3] 62a_200025704644_100009888570 [0,1,0,0,0,1|2,0,0]=4 418 B14R1.601 CCOC(=O)c1nc(ncc1F)NC 27a_100102657272_100102422924 [0,1,0,0,0,1|2,0,0]=4 419 B14R1.601 CCOC(=O)c1nc(ncc1F)SC 62a_100102422924_200000210301 [0,1,0,0,0,1|2,0,0]=4 420 B14R1.601 CCOC(=O)c1nc(ncc1F)SC 62a_200000210301_100102422924 [0,1,0,0,0,1|2,0,0]=4 421 B14R1.601 CCOC(=O)c1nc(ncc1F)S[13CH3] 62a_100102422924_200025704644 [0,1,0,0,0,1|2,0,0]=4 422 B14R1.601 CCOC(=O)c1nc(ncc1F)S[13CH3] 62a_200025704644_100102422924 [0,1,0,0,0,1|2,0,0]=4 423 B14R1.601 CCOC(=O)c1nc(ncc1N)SC 62a_100010273054_200000210301 [0,1,0,0,0,1|2,0,0]=4 424 B14R1.601 CCOC(=O)c1nc(ncc1N)SC 62a_200000210301_100010273054 [0,1,0,0,0,1|2,0,0]=4 425 B14R1.601 CCOC(=O)c1nc(ncc1N)S[13CH3] 62a_100010273054_200025704644 [0,1,0,0,0,1|2,0,0]=4 426 B14R1.601 CCOC(=O)c1nc(ncc1N)S[13CH3] 62a_200025704644_100010273054 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.601 CCOC(=O)c1nc(ncc1O)SC 271570a_203496583355_100000735467 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.918 CCOCC(=O)c1cc(ccc1C)C 34a_100121572206_100000183774 [0,1,0,0,0,1|2,0,0]=4 429 B14R1.9530 C=C(C)CC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000748629 [0,1,0,0,0,1|1,0,1]=4 430 B14R1.9530 Cc1n[nH]c(c1CC(=O)CC(C)C)C 1458a_200000188034_100000210624 [0,1,0,0,0,1|1,0,0]=3 431 B14R1.9530 Cc1n[nH]c(c1CC(=O)CC(C)O)C 1458a_200000188034_100011218427 [0,1,0,0,0,1|1,0,0]=3 432 B14R1.9530 Cc1n[nH]c(c1CC(=O)CC(F)F)C 1458a_200000188034_100011934356 [0,1,0,0,0,1|2,0,0]=4 433 B14R1.9530 Cc1n[nH]c(c1CC(=O)NC(C)C)C 240690a_100138425928_200000188034 [0,1,0,0,0,1|1,0,0]=3 434 B14R1.9530 Cc1n[nH]c(c1CC(=O)NC(C)C)C 527a_100138425928_200000188034 [0,1,0,0,0,1|1,0,0]=3 435 B14R1.9530 Cc1noc(c1CC(=O)CC(C)C)C 1458a_100000195403_100000210624 [0,1,0,0,0,1|2,0,0]=4 436 B14R1.9530 Cc1noc(c1CC(=O)CC(C)C)C 1458a_100000210554_100000184612 [0,1,0,0,0,1|2,0,0]=4 437 B14R1.9530 Cc1noc(c1CC(=O)CC(C)O)C 1458a_100000195403_100011218427 [0,1,0,0,0,1|2,0,0]=4 438 B14R1.9530 Cc1noc(c1CC(=O)C[C@@H](C)O)C 1458a_100011933948_100000184612 [0,1,0,0,0,1|2,0,0]=4 439 B14R1.9530 Cc1noc(c1CC(=O)NC(C)C)C 11a_100138425928_100000195403 [0,1,0,0,0,1|2,0,0]=4 440 B14R1.9530 Cc1noc(c1CC(=O)NC(C)C)C 1626a_100138425928_100000195403 [0,1,0,0,0,1|2,0,0]=4 441 B14R1.9530 Cc1noc(c1CC(=O)NC(C)C)C 240690a_100138425928_100000195403 [0,1,0,0,0,1|2,0,0]=4 442 B14R1.9530 Cc1noc(c1CC(=O)NC(C)C)C 527a_100138425928_100000195403 [0,1,0,0,0,1|2,0,0]=4 443 B14R1.10327 C#CCCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000753159 [0,1,0,0,0,1|1,0,1]=4 444 B14R1.10327 C#CCNC(=O)Cc1c(n[nH]c1C)C 240690a_100000212058_200000188034 [0,1,0,0,0,1|1,0,1]=4 445 B14R1.10327 C#CCNC(=O)Cc1c(n[nH]c1C)C 527a_100000212058_200000188034 [0,1,0,0,0,1|1,0,1]=4 446 B14R1.10327 C/C=C/CC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100102629194 [0,1,0,0,0,1|1,0,1]=4 447 B14R1.10327 C=CCCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000754431 [0,1,0,0,0,1|1,0,1]=4 448 B14R1.10327 C=CCNC(=O)Cc1c(n[nH]c1C)C 240690a_100020586998_200000188034 [0,1,0,0,0,1|1,0,1]=4 449 B14R1.10327 C=CCNC(=O)Cc1c(n[nH]c1C)C 527a_100020586998_200000188034 [0,1,0,0,0,1|1,0,1]=4 450 B14R1.10327 CC#CCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000748600 [0,1,0,0,0,1|1,0,1]=4 451 B14R1.10327 CC=CCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000070051 [0,1,0,0,0,1|1,0,1]=4 452 B14R1.10327 CC=NNC(=O)Cc1c(n[nH]c1C)C 4a_100000193921_200000210099 [0,1,0,0,0,1|1,0,1]=4 453 B14R1.10327 CCC#CC(=O)Cc1c(noc1C)C 1458a_100011827653_100000184612 [0,1,0,0,0,1|2,0,0]=4 454 B14R1.10327 CCC=CC(=O)Cc1c(noc1C)C 1458a_100000212282_100000184612 [0,1,0,0,0,1|2,0,0]=4 455 B14R1.10327 CCCCC(=Cc1c(n[nH]c1C)C)Br 271570a_206741709834_100000238710 [0,1,0,0,0,1|2,0,0]=4 456 B14R1.10327 CCCCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000210211 [0,1,0,0,0,1|1,0,0]=3 457 B14R1.10327 CCCCC(=O)Cc1c(noc1C)C 1458a_100000195403_100000210211 [0,1,0,0,0,1|2,0,0]=4 458 B14R1.10327 CCCCC(=O)Cc1c(noc1C)C 1458a_100000210183_100000184612 [0,1,0,0,0,1|2,0,0]=4 459 B14R1.10327 CCCNC(=O)Cc1c(n[nH]c1C)C 240690a_100020643023_200000188034 [0,1,0,0,0,1|1,0,0]=3 460 B14R1.10327 CCCNC(=O)Cc1c(n[nH]c1C)C 527a_100020643023_200000188034 [0,1,0,0,0,1|1,0,0]=3 461 B14R1.10327 CCCNC(=O)Cc1c(noc1C)C 11a_100020643023_100000195403 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.10327 CCCNC(=O)Cc1c(noc1C)C 1626a_100020643023_100000195403 [0,1,0,0,0,1|2,0,0]=4 463 B14R1.10327 CCCNC(=O)Cc1c(noc1C)C 240690a_100020643023_100000195403 [0,1,0,0,0,1|2,0,0]=4 464 B14R1.10327 CCCNC(=O)Cc1c(noc1C)C 527a_100020643023_100000195403 [0,1,0,0,0,1|2,0,0]=4 465 B14R1.10327 CCNN=C(C)Cc1c(n[nH]c1C)C 4a_100000756455_100000069266 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.10327 CCNNC(=O)Cc1c(n[nH]c1C)C 22a_100000756455_200000188034 [0,1,0,0,0,1|1,0,0]=3 467 B14R1.10327 CCNNC(=O)Cc1c(noc1C)C 22a_100000756455_100000195403 [0,1,0,0,0,1|2,0,0]=4 468 B14R1.10327 CCOCC(=O)Cc1c(noc1C)C 1458a_100000211967_100000184612 [0,1,0,0,0,1|1,0,0]=3 469 B14R1.10327 CCSCC(=O)Cc1c(noc1C)C 1458a_100000230394_100000184612 [0,1,0,0,0,1|1,1,0]=4 470 B14R1.10327 COCCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000233755 [0,1,0,0,0,1|1,0,0]=3 471 B14R1.10327 COCCC(=O)Cc1c(noc1C)C 1458a_100000195403_100000233755 [0,1,0,0,0,1|2,0,0]=4 472 B14R1.10327 COCCC(=O)Cc1c(noc1C)C 1458a_100000749529_100000184612 [0,1,0,0,0,1|2,0,0]=4 473 B14R1.10327 CSCCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000751147 [0,1,0,0,0,1|1,0,0]=3 474 B14R1.10327 CSCCC(=O)Cc1c(noc1C)C 1458a_100000174002_100000184612 [0,1,0,0,0,1|2,0,0]=4 475 B14R1.10327 CSCCC(=O)Cc1c(noc1C)C 1458a_100000195403_100000751147 [0,1,0,0,0,1|2,0,0]=4 476 B14R1.10327 Cc1n[nH]c(c1CC(=O)CCC#N)C 1458a_200000188034_100011215226 [0,1,0,0,0,1|1,0,1]=4 477 B14R1.10327 Cc1n[nH]c(c1CC(=O)CCCF)C 1458a_200000188034_100011934791 [0,1,0,0,0,1|1,0,0]=3 478 B14R1.10327 Cc1n[nH]c(c1CC(=O)CCCO)C 1458a_200000188034_100011215043 [0,1,0,0,0,1|1,0,0]=3 479 B14R1.10327 Cc1n[nH]c(c1CC(=O)NCC#N)C 527a_100000734998_200000188034 [0,1,0,0,0,1|1,0,1]=4 480 B14R1.10327 Cc1n[nH]c(c1CC(=O)NCCF)C 240690a_100000724931_200000188034 [0,1,0,0,0,1|1,0,0]=3 481 B14R1.10327 Cc1n[nH]c(c1CC(=O)NCCF)C 527a_100000724931_200000188034 [0,1,0,0,0,1|1,0,0]=3 482 B14R1.10327 Cc1n[nH]c(c1CC(=O)NCCO)C 240690a_100000210304_200000188034 [0,1,0,0,0,1|1,0,0]=3 483 B14R1.10327 Cc1n[nH]c(c1CC(=O)NCCO)C 527a_100000210304_200000188034 [0,1,0,0,0,1|1,0,0]=3 484 B14R1.10327 Cc1noc(c1CC(=O)CCCF)C 1458a_100000195403_100011934791 [0,1,0,0,0,1|2,0,0]=4 485 B14R1.10327 Cc1noc(c1CC(=O)CCCO)C 1458a_100000195403_100011215043 [0,1,0,0,0,1|2,0,0]=4 486 B14R1.10327 Cc1noc(c1CC(=O)NCCF)C 11a_100000724931_100000195403 [0,1,0,0,0,1|2,0,0]=4 487 B14R1.10327 Cc1noc(c1CC(=O)NCCF)C 1626a_100000724931_100000195403 [0,1,0,0,0,1|2,0,0]=4 488 B14R1.10327 Cc1noc(c1CC(=O)NCCF)C 240690a_100000724931_100000195403 [0,1,0,0,0,1|2,0,0]=4 489 B14R1.10327 Cc1noc(c1CC(=O)NCCF)C 527a_100000724931_100000195403 [0,1,0,0,0,1|2,0,0]=4 490 B14R1.10327 Cc1noc(c1CC(=O)NCCO)C 240690a_100000210304_100000195403 [0,1,0,0,0,1|2,0,0]=4 491 B14R1.10327 Cc1noc(c1CC(=O)NCCO)C 527a_100000210304_100000195403 [0,1,0,0,0,1|2,0,0]=4 492 B14R1.13089 CCC(C)C(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000758301 [0,1,0,0,0,1|1,0,0]=3 493 B14R1.13089 CCC(C)C(=O)Cc1c(noc1C)C 1458a_100000195403_100000758301 [0,1,0,0,0,1|2,0,0]=4 494 B14R1.13089 CCC(C)C(=O)Cc1c(noc1C)C 1458a_100011192722_100000184612 [0,1,0,0,0,1|2,0,0]=4 495 B14R1.13089 CCC(O)C(=O)Cc1c(noc1C)C 1458a_100011196387_100000184612 [0,1,0,0,0,1|2,0,0]=4 496 B14R1.13089 CCN(C)C(=O)Cc1c(n[nH]c1C)C 240690a_100000225621_200000188034 [0,1,0,0,0,1|1,0,0]=3 497 B14R1.13089 CCN(C)C(=O)Cc1c(n[nH]c1C)C 527a_100000225621_200000188034 [0,1,0,0,0,1|1,0,0]=3 498 B14R1.13089 CCN(C)C(=O)Cc1c(noc1C)C 11a_100000225621_100000195403 [0,1,0,0,0,1|2,0,0]=4 499 B14R1.13089 CCN(C)C(=O)Cc1c(noc1C)C 1626a_100000225621_100000195403 [0,1,0,0,0,1|2,0,0]=4 500 B14R1.13089 CCN(C)C(=O)Cc1c(noc1C)C 240690a_100000225621_100000195403 [0,1,0,0,0,1|2,0,0]=4 501 B14R1.13089 CCN(C)C(=O)Cc1c(noc1C)C 527a_100000225621_100000195403 [0,1,0,0,0,1|2,0,0]=4 502 B14R1.18870 CCCC(=O)Cc1c(nn(c1C)C)C 1458a_100000240056_100000210303 [0,1,0,0,0,1|1,0,0]=3 503 B14R1.18870 CCNC(=O)Cc1c(nn(c1C)C)C 11a_100015525214_100000240056 [0,1,0,0,0,1|1,0,0]=3 504 B14R1.18870 CCNC(=O)Cc1c(nn(c1C)C)C 240690a_100015525214_100000240056 [0,1,0,0,0,1|1,0,0]=3 505 B14R1.18870 CCNC(=O)Cc1c(nn(c1C)C)C 527a_100015525214_100000240056 [0,1,0,0,0,1|1,0,0]=3 506 B14R1.18870 CNNC(=O)Cc1c(nn(c1C)C)C 22a_100016993582_100000240056 [0,1,0,0,0,1|2,0,0]=4 507 B14R1.18870 Cc1nn(c(c1CC(=O)CCF)C)C 1458a_100000240056_100011217306 [0,1,0,0,0,1|2,0,0]=4 508 B14R1.18870 Cc1nn(c(c1CC(=O)CCO)C)C 1458a_100000240056_100000211926 [0,1,0,0,0,1|2,0,0]=4 509 B14R1.7276 C=Cc1nccc(c1C(=O)OCC)C 271570a_100011290941_100010068243 [0,1,0,0,0,1|1,0,1]=4 510 B14R1.7276 C=Cc1ncnc(c1C(=O)OCC)C 271570a_100011290941_200010876006 [0,1,0,0,0,1|0,0,2]=4 511 B14R1.7276 CCOC(=O)c1c(cccc1OC)C 7a_100000034863_200000210301 [0,1,0,0,0,1|2,0,0]=4 512 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])C 7a_100000034863_200025704644 [0,1,0,0,0,1|2,0,0]=4 513 B14R1.7276 CCOC(=O)c1c(ccnc1NC)C 27a_100102657272_100010068243 [0,1,0,0,0,1|1,0,0]=3 514 B14R1.7276 CCOC(=O)c1c(ccnc1NC)N 27a_100102657272_100010588025 [0,1,0,0,0,1|2,0,0]=4 515 B14R1.7276 CCOC(=O)c1c(ccnc1O)OC 271570a_203496583355_200010142526 [0,1,0,0,0,1|2,0,0]=4 516 B14R1.7276 CCOC(=O)c1c(ccnc1SC)C 62a_100010068243_200000210301 [0,1,0,0,0,1|1,0,0]=3 517 B14R1.7276 CCOC(=O)c1c(ccnc1SC)C 62a_200000210301_100010068243 [0,1,0,0,0,1|1,0,0]=3 518 B14R1.7276 CCOC(=O)c1c(ccnc1SC)N 62a_200000210301_100010588025 [0,1,0,0,0,1|2,0,0]=4 519 B14R1.7276 CCOC(=O)c1c(ccnc1S[13CH3])C 62a_100010068243_200025704644 [0,1,0,0,0,1|1,0,0]=3 520 B14R1.7276 CCOC(=O)c1c(ccnc1S[13CH3])C 62a_200025704644_100010068243 [0,1,0,0,0,1|1,0,0]=3 521 B14R1.7276 CCOC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_100010588025 [0,1,0,0,0,1|2,0,0]=4 522 B14R1.7276 CCOC(=O)c1c(ncnc1NC)C 27a_100102657272_200010876006 [0,1,0,0,0,1|0,0,1]=3 523 B14R1.7276 CCOC(=O)c1c(ncnc1SC)C 62a_200000210301_200010876006 [0,1,0,0,0,1|0,0,1]=3 524 B14R1.7276 CCOC(=O)c1c(ncnc1S[13CH3])C 62a_200025704644_200010876006 [0,1,0,0,0,1|0,0,1]=3 525 B14R1.18811 CCOC(=O)c1c(nc(nc1C)O)C 271570a_203496583355_100010725493 [0,1,0,0,0,1|0,0,1]=3 526 B14R1.5428 C=C=Cc1[nH]nc(c1C(=O)OCC)N 271570a_100015277604_100011165294 [0,2,0,0,0,0|1,0,1]=4 527 B14R1.5428 CC=Cc1[nH]nc(c1C(=O)OCC)N 271570a_100016259895_100011165294 [0,2,0,0,0,0|1,0,0]=3 528 B14R1.5428 CC=Cc1cnn(c1C(=O)OCC)C 271570a_100016259895_100012569109 [0,2,0,0,0,0|2,0,0]=4 529 B14R1.5428 CCOC(=O)c1c(cnn1C)SCC 62a_100000210202_100012569109 [0,2,0,0,0,0|2,0,0]=4 530 B14R1.5428 CCOC(=O)c1c(cnn1C)SCC 62a_100012569109_100000210202 [0,2,0,0,0,0|2,0,0]=4 531 B14R1.5428 CCOC(=O)c1c(cnn1C)SCF 62a_100012569109_100015361967 [0,2,0,0,0,0|2,0,0]=4 532 B14R1.5428 CCOC(=O)c1c(cnn1C)SCF 62a_100015361967_100012569109 [0,2,0,0,0,0|2,0,0]=4 533 B14R1.5428 CCOC(=O)c1c(csc1C)OCC 34a_100000078718_100000210202 [0,2,0,0,0,0|2,0,0]=4 534 B14R1.5428 CCOC(=O)c1c(csc1C)OCC 7a_100000078718_100000210202 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.5428 CCOC(=O)c1c(csc1C)OCF 34a_100000078718_100015361967 [0,2,0,0,0,0|2,0,0]=4 536 B14R1.5428 CCOC(=O)c1c(csc1C)OCF 7a_100000078718_100015361967 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.5428 CCOC(=O)c1c(n[nH]c1O)OCC 271570a_203496583355_200033332567 [0,2,0,0,0,0|1,0,0]=3 538 B14R1.5428 CCOC(=O)c1c(n[nH]c1SCC)N 62a_100000210202_100011165294 [0,2,0,0,0,0|1,0,0]=3 539 B14R1.5428 CCOC(=O)c1c(n[nH]c1SCF)N 62a_100015361967_100011165294 [0,2,0,0,0,0|1,0,0]=3 540 B14R1.5428 CCOC(=O)c1c(noc1CNC)C 2230a_106832991635_100000718742 [0,2,0,0,0,0|1,0,0]=3 541 B14R1.5428 CCOC(=O)c1c(noc1CNC)C 34a_100102657272_100000718742 [0,2,0,0,0,0|1,0,0]=3 542 B14R1.5428 CCOC(=O)c1c(noc1CNC)C 7a_106832991635_100000718742 [0,2,0,0,0,0|1,0,0]=3 543 B14R1.5428 CCOC(=O)c1c(noc1COC)C 34a_100138415774_100000718742 [0,2,0,0,0,0|1,0,0]=3 544 B14R1.5428 CCOC(=O)c1c(noc1CSC)C 62a_100000718742_200000210301 [0,2,0,0,0,0|1,0,0]=3 545 B14R1.5428 CCOC(=O)c1c(noc1CSC)C 62a_200000210301_100000718742 [0,2,0,0,0,0|1,0,0]=3 546 B14R1.5428 CCOC(=O)c1c(noc1CS[13CH3])C 62a_100000718742_200025704644 [0,2,0,0,0,0|1,0,0]=3 547 B14R1.5428 CCOC(=O)c1c(noc1CS[13CH3])C 62a_200025704644_100000718742 [0,2,0,0,0,0|1,0,0]=3 548 B14R1.7271 C=C(C)c1[nH]nc(c1C(=O)OCC)N 271570a_100000694244_100011165294 [0,2,0,0,0,0|1,0,0]=3 549 B14R1.7271 C=C(C)c1cnn(c1C(=O)OCC)C 271570a_100000694244_100012569109 [0,2,0,0,0,0|2,0,0]=4 550 B14R1.18804 CCOC(=O)c1c(c(nn1C)C)SC 62a_100009815406_200000210301 [0,2,0,0,0,0|2,0,0]=4 551 B14R1.18804 CCOC(=O)c1c(c(nn1C)C)SC 62a_200000210301_100009815406 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.18804 CCOC(=O)c1c(c(nn1C)C)S[13CH3] 62a_100009815406_200025704644 [0,2,0,0,0,0|2,0,0]=4 553 B14R1.18804 CCOC(=O)c1c(c(nn1C)C)S[13CH3] 62a_200025704644_100009815406 [0,2,0,0,0,0|2,0,0]=4 554 B14R1.3032 CC(=NNCCO)c1c(n[nH]c1C)C 4a_100000210001_200000189038 [0,2,0,0,0,0|2,0,0]=4 555 B14R1.3032 CC1=NNC(=O)C1C(=O)COCCO 1458a_100000708028_200009843013 [0,2,0,0,0,0|1,0,1]=4 556 B14R1.3032 CCC=NNC(=O)c1c(n[nH]c1C)C 4a_100011319611_100000210100 [0,2,0,0,0,0|1,0,0]=3 557 B14R1.3032 CCCNN=C(C)c1c(n[nH]c1C)C 4a_100000740057_200000189038 [0,2,0,0,0,0|2,0,0]=4 558 B14R1.3032 CCCOCC(=O)C1C(=O)NN=C1C 1458a_100000745993_200009843013 [0,2,0,0,0,0|1,0,1]=4 559 B14R1.3032 CCOC=CC(=O)C1C(=O)NN=C1C 1458a_100016266692_200009843013 [0,2,0,0,0,0|1,0,1]=4 560 B14R1.3032 CCOCCC(=O)C1C(=O)NN=C1C 1458a_100000749530_200009843013 [0,2,0,0,0,0|1,0,1]=4 561 B14R1.8285 CC=NNC(=O)c1c(nn(c1C)C)C 4a_100000244424_200000210099 [0,2,0,0,0,0|1,0,1]=4 562 B14R1.8285 CCNN=C(C)c1c(nn(c1C)C)C 4a_100000756455_100000745733 [0,2,0,0,0,0|2,0,0]=4 563 B14R1.9547 CC(=NNC(C)C)c1c(n[nH]c1C)C 4a_100000741168_200000189038 [0,2,0,0,0,0|2,0,0]=4 564 B14R1.9547 CC(=O)NNC(=O)c1c(n[nH]c1C)C 22a_100011319611_100000070787 [0,2,0,0,0,0|1,0,1]=4 565 B14R1.9547 CC1=NNC(=O)C1C(=O)COC(C)C 1458a_100000745533_200009843013 [0,2,0,0,0,0|1,0,1]=4 566 B14R1.12993 CCCNS(=O)(=O)c1c(n[nH]c1C)C 270084a_100020643023_100000184969 [0,2,0,0,0,0|2,0,0]=4 567 B14R1.12993 CCCNS(=O)(=O)c1c(n[nH]c1C)C 274078a_100020643023_100000184969 [0,2,0,0,0,0|2,0,0]=4 568 B14R1.12993 Cc1n[nH]c(c1S(=O)(=O)NCCF)C 270084a_100000724931_100000184969 [0,2,0,0,0,0|2,0,0]=4 569 B14R1.12993 Cc1n[nH]c(c1S(=O)(=O)NCCF)C 274078a_100000724931_100000184969 [0,2,0,0,0,0|2,0,0]=4 570 B14R1.12993 Cc1n[nH]c(c1S(=O)(=O)NCCO)C 270084a_100000210304_100000184969 [0,2,0,0,0,0|2,0,0]=4 571 B14R1.12993 Cc1n[nH]c(c1S(=O)(=O)NCCO)C 274078a_100000210304_100000184969 [0,2,0,0,0,0|2,0,0]=4 572 B14R1.8961 CCN(C)S(=O)(=O)c1c(n[nH]c1C)C 270084a_100000225621_100000184969 [0,2,0,0,0,0|2,0,0]=4 573 B14R1.8961 CCN(C)S(=O)(=O)c1c(n[nH]c1C)C 274078a_100000225621_100000184969 [0,2,0,0,0,0|2,0,0]=4 574 B14R1.23765 CCNS(=O)(=O)c1c(nn(c1C)C)C 270084a_100015525214_100000209913 [0,2,0,0,0,0|2,0,0]=4 575 B14R1.23765 CCNS(=O)(=O)c1c(nn(c1C)C)C 274078a_100015525214_100000209913 [0,2,0,0,0,0|2,0,0]=4 576 B14R1.9545 Cc1n[nH]c(c1S(=O)(=O)NC(C)C)C 270084a_100138425928_100000184969 [0,2,0,0,0,0|2,0,0]=4 577 B14R1.9545 Cc1n[nH]c(c1S(=O)(=O)NC(C)C)C 274078a_100138425928_100000184969 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.340 CCNN=C1C=C(CC1)OCC 4a_100000756455_100000036251 [0,0,1,1,0,0|1,0,1]=4 579 B12R2.10 Cc1n[nH]cc1C2=CCCC2 271570a_100000089523_100011912673 [1,0,0,1,0,0|2,0,0]=4 580 B12R2.2372 C=C(c1c[nH]nc1C)C2CC2 271570a_100010895485_100011912673 [1,0,0,1,0,0|2,0,0]=4 581 B12R2.2033 Cc1n[nH]c(c1OC2CC2)C 34a_100012186652_100000211595 [1,0,0,1,0,0|2,0,0]=4 582 B12R2.2033 Cc1n[nH]c(c1SC2CC2)C 62a_100000238710_100000211595 [1,0,0,1,0,0|2,0,0]=4 583 B14R2.4572 Cc1n[nH]c(c1C=C2CCCC2)C 271570a_100010378317_100000238710 [0,0,0,1,0,1|2,0,0]=4 584 B14R2.53841 Cc1noc(c1CC(=O)C2CC2)C 1458a_100000210395_100000184612 [0,0,0,1,0,1|2,0,0]=4 585 B14R2.3292 Cc1n[nH]c(c1C2=CCCC2)CO 271570a_100000089523_100015664438 [0,1,0,1,0,0|2,0,0]=4 586 B14R2.16637 C=C(c1c(n[nH]c1CO)C)C2CC2 271570a_100010895485_100015664438 [0,1,0,1,0,0|2,0,0]=4 587 B14R2.277 Cc1n[nH]c(c1C2=CCCCC2)C 271570a_100000062251_100000238710 [0,1,0,1,0,0|2,0,0]=4 588 B14R2.277 Cc1n[nH]c(c1C2=CCCCO2)C 271570a_100010177797_100000238710 [0,1,0,1,0,0|1,0,0]=3 589 B14R2.277 Cc1n[nH]c(c1C2=CCCCO2)N 271570a_100010177797_100000182022 [0,1,0,1,0,0|2,0,0]=4 590 B14R2.277 Cc1n[nH]c(c1C2=CCNCC2)C 271570a_100000731432_100000238710 [0,1,0,1,0,0|2,0,0]=4 591 B14R2.277 Cc1n[nH]c(c1C2=CCOCC2)C 271570a_100000070234_100000238710 [0,1,0,1,0,0|2,0,0]=4 592 B14R2.277 Cc1n[nH]c(c1C2=CCSCC2)C 271570a_100010232141_100000238710 [0,1,0,1,0,0|2,0,0]=4 593 B14R2.277 Cc1n[nH]c(c1C2=COCCC2)C 271570a_100010175576_100000238710 [0,1,0,1,0,0|1,0,0]=3 594 B14R2.277 Cc1n[nH]c(c1C2=COCCC2)N 271570a_100010175576_100000182022 [0,1,0,1,0,0|2,0,0]=4 595 B14R2.277 Cc1noc(c1C2=CCCCO2)C 271570a_100010177797_100000694658 [0,1,0,1,0,0|2,0,0]=4 596 B14R2.277 Cc1noc(c1C2=COCCC2)C 271570a_100010175576_100000694658 [0,1,0,1,0,0|2,0,0]=4 597 B14R2.4392 Cc1ccc(o1)c2c(n[nH]c2C)C 271570a_100000061910_100000238710 [0,1,0,1,0,0|1,0,1]=4 598 B14R2.4392 Cc1nc(no1)c2c(n[nH]c2C)C 271570a_100000067762_100012003639 [0,1,0,1,0,0|1,0,1]=4 599 B14R2.4392 Cc1nnc(o1)c2c(n[nH]c2C)C 271570a_100000067762_100000708914 [0,1,0,1,0,0|1,0,1]=4 600 B14R2.13599 CC1=NNC(=O)C1C(=O)C2CCO2 1458a_100000089072_200009843013 [0,1,0,1,0,0|1,0,1]=4 601 B14R2.4452 Cc1nn(c(c1C2=CCCC2)C)C 271570a_100000089523_100000239273 [0,1,0,1,0,0|2,0,0]=4 602 B14R2.20851 C=C(c1c(nn(c1C)C)C)C2CC2 271570a_100010895485_100000239273 [0,1,0,1,0,0|2,0,0]=4 603 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,0,1,0,1,0|0,0,1]=3 604 B12R0.101 CCNN=C(C)C=CC(=O)OCC 4a_100000756455_200016282221 [0,0,1,0,0,1|0,0,1]=3 605 B12R0.101 CCNN=C(C)CCC(=O)OCC 4a_100000756455_100011212338 [0,0,1,0,0,1|0,0,2]=4 606 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [1,0,0,0,0,1|2,0,0]=4 607 B12R1.17 CCOC(=O)c1ccnc(n1)O 271570a_203496583355_100000087789 [1,0,0,0,0,1|2,0,0]=4 608 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [1,0,0,0,0,1|2,0,0]=4 609 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [1,0,0,0,0,1|2,0,0]=4 610 B12R1.17 CCOC(=O)c1cnnc(c1)O 271570a_203496583355_100009853686 [1,0,0,0,0,1|1,0,1]=4 611 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [1,0,0,0,0,1|2,0,0]=4 612 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [1,0,0,0,0,1|2,0,0]=4 613 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [1,0,0,0,0,1|2,0,0]=4 614 B12R1.354 COC(=O)c1cc(n[nH]c1=O)O 271570a_203496583355_100009885168 [1,0,0,0,0,1|2,0,0]=4 615 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [1,0,0,0,0,1|2,0,0]=4 616 B12R1.354 COC(=O)c1nc(cnc1C)O 271570a_203496583355_100010884432 [1,0,0,0,0,1|2,0,0]=4 617 B14R1.18023 C=COC(=O)COc1c(n[nH]c1C)C 34a_100012186652_100000036128 [0,0,0,0,0,2|0,0,2]=4 618 B14R1.18023 C=COC(=O)CSc1c(n[nH]c1C)C 62a_100000036128_100000238710 [0,0,0,0,0,2|0,0,2]=4 619 B14R1.18023 C=COC(=O)CSc1c(n[nH]c1C)C 62a_100000238710_100000036128 [0,0,0,0,0,2|0,0,2]=4 620 B14R1.18023 CC#CC(=O)CCc1c(n[nH]c1C)C 1458a_100000763181_100011219447 [0,0,0,0,0,2|1,0,1]=4 621 B14R1.18023 CC=CC(=O)CCc1c(n[nH]c1C)C 1458a_100000210699_100011219447 [0,0,0,0,0,2|1,0,1]=4 622 B14R1.18023 CC=CC(=O)NCc1c(n[nH]c1C)C 11a_100015183965_100000210699 [0,0,0,0,0,2|1,0,1]=4 623 B14R1.18023 CC=CC(=O)NCc1c(n[nH]c1C)C 240690a_100015183965_100000210699 [0,0,0,0,0,2|1,0,1]=4 624 B14R1.18023 CCCC(=O)CCc1c(c[nH]c1C)C 1458a_100102525370_100000210303 [0,0,0,0,0,2|2,0,0]=4 625 B14R1.18023 CCCC(=O)CCc1c(n[nH]c1C)C 1458a_100000189673_100000210303 [0,0,0,0,0,2|1,0,0]=3 626 B14R1.18023 CCCC(=O)CCc1c(n[nH]c1C)C 1458a_100000211992_100011219447 [0,0,0,0,0,2|1,0,0]=3 627 B14R1.18023 CCCC(=O)CCc1c(noc1C)C 1458a_100000189609_100000210303 [0,0,0,0,0,2|2,0,0]=4 628 B14R1.18023 CCCC(=O)CSc1c(n[nH]c1C)C 62a_100000238710_100000747444 [0,0,0,0,0,2|1,0,0]=3 629 B14R1.18023 CCCC(=O)CSc1c(n[nH]c1C)C 62a_100000747444_100000238710 [0,0,0,0,0,2|1,0,0]=3 630 B14R1.18023 CCCC(=O)CSc1c(n[nH]c1N)C 62a_100000182022_100000747444 [0,0,0,0,0,2|2,0,0]=4 631 B14R1.18023 CCCC(=O)CSc1c(n[nH]c1N)C 62a_100000747444_100000182022 [0,0,0,0,0,2|2,0,0]=4 632 B14R1.18023 CCCC(=O)CSc1c(noc1C)C 62a_100000694658_100000747444 [0,0,0,0,0,2|2,0,0]=4 633 B14R1.18023 CCCC(=O)CSc1c(noc1C)C 62a_100000747444_100000694658 [0,0,0,0,0,2|2,0,0]=4 634 B14R1.18023 CCCC(=O)NCc1c(n[nH]c1C)C 11a_100015183965_100000211992 [0,0,0,0,0,2|1,0,0]=3 635 B14R1.18023 CCCC(=O)NCc1c(n[nH]c1C)C 240690a_100015183965_100000211992 [0,0,0,0,0,2|1,0,0]=3 636 B14R1.18023 CCCC(=O)NCc1c(n[nH]c1C)C 527a_100015183965_100000211992 [0,0,0,0,0,2|1,0,0]=3 637 B14R1.18023 CCCC(=O)NCc1c(noc1C)C 11a_100000174930_100000211992 [0,0,0,0,0,2|2,0,0]=4 638 B14R1.18023 CCCC(=O)NCc1c(noc1C)C 1626a_100000174930_100000211992 [0,0,0,0,0,2|2,0,0]=4 639 B14R1.18023 CCCC(=O)NCc1c(noc1C)C 240690a_100000174930_100000211992 [0,0,0,0,0,2|2,0,0]=4 640 B14R1.18023 CCCC(=O)NCc1c(noc1C)C 527a_100000174930_100000211992 [0,0,0,0,0,2|2,0,0]=4 641 B14R1.18023 CCNC(=O)CCc1c(c[nH]c1C)C 11a_100015525214_100102525370 [0,0,0,0,0,2|2,0,0]=4 642 B14R1.18023 CCNC(=O)CCc1c(c[nH]c1C)C 240690a_100015525214_100102525370 [0,0,0,0,0,2|2,0,0]=4 643 B14R1.18023 CCNC(=O)CCc1c(c[nH]c1C)C 527a_100015525214_100102525370 [0,0,0,0,0,2|2,0,0]=4 644 B14R1.18023 CCNC(=O)CCc1c(n[nH]c1C)C 240690a_100015525214_100000189673 [0,0,0,0,0,2|1,0,0]=3 645 B14R1.18023 CCNC(=O)CCc1c(n[nH]c1C)C 527a_100015525214_100000189673 [0,0,0,0,0,2|1,0,0]=3 646 B14R1.18023 CCNC(=O)CCc1c(noc1C)C 11a_100015525214_100000189609 [0,0,0,0,0,2|2,0,0]=4 647 B14R1.18023 CCNC(=O)CCc1c(noc1C)C 240690a_100015525214_100000189609 [0,0,0,0,0,2|2,0,0]=4 648 B14R1.18023 CCNC(=O)CCc1c(noc1C)C 527a_100015525214_100000189609 [0,0,0,0,0,2|2,0,0]=4 649 B14R1.18023 CCNC(=O)COc1c(n[nH]c1C)C 34a_100012186652_100000183381 [0,0,0,0,0,2|1,0,0]=3 650 B14R1.18023 CCNC(=O)CSc1c(n[nH]c1C)C 62a_100000183381_100000238710 [0,0,0,0,0,2|1,0,0]=3 651 B14R1.18023 CCNC(=O)CSc1c(n[nH]c1C)C 62a_100000238710_100000183381 [0,0,0,0,0,2|1,0,0]=3 652 B14R1.18023 CCNC(=O)CSc1c(n[nH]c1N)C 62a_100000182022_100000183381 [0,0,0,0,0,2|2,0,0]=4 653 B14R1.18023 CCNC(=O)CSc1c(n[nH]c1N)C 62a_100000183381_100000182022 [0,0,0,0,0,2|2,0,0]=4 654 B14R1.18023 CCNC(=O)CSc1c(noc1C)C 62a_100000183381_100000694658 [0,0,0,0,0,2|2,0,0]=4 655 B14R1.18023 CCNC(=O)CSc1c(noc1C)C 62a_100000694658_100000183381 [0,0,0,0,0,2|2,0,0]=4 656 B14R1.18023 CCNC(=O)NCc1c(n[nH]c1C)C 2708a_100015183965_100015525214 [0,0,0,0,0,2|1,0,0]=3 657 B14R1.18023 CCNC(=O)NCc1c(n[nH]c1C)C 2708a_100015525214_100015183965 [0,0,0,0,0,2|1,0,0]=3 658 B14R1.18023 CCNC(=O)NCc1c(n[nH]c1C)C 273464a_100015183965_100015525214 [0,0,0,0,0,2|1,0,0]=3 659 B14R1.18023 CCNC(=O)NCc1c(n[nH]c1C)C 273464a_100015525214_100015183965 [0,0,0,0,0,2|1,0,0]=3 660 B14R1.18023 CCNC(=O)NCc1c(n[nH]c1C)C 512a_100015183965_100015525214 [0,0,0,0,0,2|1,0,0]=3 661 B14R1.18023 CCNC(=O)NCc1c(n[nH]c1C)C 512a_100015525214_100015183965 [0,0,0,0,0,2|1,0,0]=3 662 B14R1.18023 CCNC(=O)NCc1c(noc1C)C 2708a_100000174930_100015525214 [0,0,0,0,0,2|2,0,0]=4 663 B14R1.18023 CCNC(=O)NCc1c(noc1C)C 2708a_100015525214_100000174930 [0,0,0,0,0,2|2,0,0]=4 664 B14R1.18023 CCNC(=O)NCc1c(noc1C)C 273464a_100000174930_100015525214 [0,0,0,0,0,2|2,0,0]=4 665 B14R1.18023 CCNC(=O)NCc1c(noc1C)C 273464a_100015525214_100000174930 [0,0,0,0,0,2|2,0,0]=4 666 B14R1.18023 CCNC(=O)NCc1c(noc1C)C 512a_100000174930_100015525214 [0,0,0,0,0,2|2,0,0]=4 667 B14R1.18023 CCNC(=O)NCc1c(noc1C)C 512a_100015525214_100000174930 [0,0,0,0,0,2|2,0,0]=4 668 B14R1.18023 CCOC(=O)C=Cc1c([nH][nH]c1=O)C 271570a_100010199719_100000686169 [0,0,0,0,0,2|1,0,1]=4 669 B14R1.18023 CCOC(=O)C=Cc1c(n[nH]c1C)C 271570a_100010199719_100000238710 [0,0,0,0,0,2|0,0,0]=2 670 B14R1.18023 CCOC(=O)C=Cc1c(n[nH]c1N)C 271570a_100010199719_100000182022 [0,0,0,0,0,2|1,0,0]=3 671 B14R1.18023 CCOC(=O)C=Cc1c(nnn1C)C 271570a_100010199719_100016037793 [0,0,0,0,0,2|1,0,1]=4 672 B14R1.18023 CCOC(=O)C=Cc1c(noc1C)C 271570a_100010199719_100000694658 [0,0,0,0,0,2|1,0,0]=3 673 B14R1.18023 CCOC(=O)C=Cc1c(noc1C)N 271570a_100010199719_100011216220 [0,0,0,0,0,2|2,0,0]=4 674 B14R1.18023 CCOC(=O)C=Cc1c(noc1C)O 271570a_100010199719_100010730664 [0,0,0,0,0,2|2,0,0]=4 675 B14R1.18023 CCOC(=O)C=Cc1c(noc1N)C 271570a_100010199719_100000754107 [0,0,0,0,0,2|2,0,0]=4 676 B14R1.18023 CCOC(=O)C=Cc1c(nsc1N)C 271570a_100010199719_100000701153 [0,0,0,0,0,2|2,0,0]=4 677 B14R1.18023 CCOC(=O)COc1c(n[nH]c1C)C 34a_100012186652_100000188475 [0,0,0,0,0,2|0,0,0]=2 678 B14R1.18023 CCOC(=O)CSC1C(=O)NN=C1C 62a_100000188475_200009843013 [0,0,0,0,0,2|1,0,1]=4 679 B14R1.18023 CCOC(=O)CSc1c(n[nH]c1C)C 62a_100000188475_100000238710 [0,0,0,0,0,2|0,0,0]=2 680 B14R1.18023 CCOC(=O)CSc1c(n[nH]c1C)C 62a_100000238710_100000188475 [0,0,0,0,0,2|0,0,0]=2 681 B14R1.18023 CCOC(=O)CSc1c(n[nH]c1N)C 62a_100000182022_100000188475 [0,0,0,0,0,2|1,0,0]=3 682 B14R1.18023 CCOC(=O)CSc1c(n[nH]c1N)C 62a_100000188475_100000182022 [0,0,0,0,0,2|1,0,0]=3 683 B14R1.18023 CCOC(=O)CSc1c(nnn1C)C 62a_100000188475_100016037793 [0,0,0,0,0,2|1,0,1]=4 684 B14R1.18023 CCOC(=O)CSc1c(nnn1C)C 62a_100016037793_100000188475 [0,0,0,0,0,2|1,0,1]=4 685 B14R1.18023 CCOC(=O)CSc1c(noc1C)C 62a_100000188475_100000694658 [0,0,0,0,0,2|1,0,0]=3 686 B14R1.18023 CCOC(=O)CSc1c(noc1C)C 62a_100000694658_100000188475 [0,0,0,0,0,2|1,0,0]=3 687 B14R1.18023 CCOC(=O)CSc1c(noc1C)N 62a_100000188475_100011216220 [0,0,0,0,0,2|2,0,0]=4 688 B14R1.18023 CCOC(=O)CSc1c(noc1C)N 62a_100011216220_100000188475 [0,0,0,0,0,2|2,0,0]=4 689 B14R1.18023 CCOC(=O)CSc1c(noc1C)O 62a_100000188475_100010730664 [0,0,0,0,0,2|2,0,0]=4 690 B14R1.18023 CCOC(=O)CSc1c(noc1C)O 62a_100010730664_100000188475 [0,0,0,0,0,2|2,0,0]=4 691 B14R1.18023 CCOC(=O)CSc1c(noc1N)C 62a_100000188475_100000754107 [0,0,0,0,0,2|2,0,0]=4 692 B14R1.18023 CCOC(=O)CSc1c(noc1N)C 62a_100000754107_100000188475 [0,0,0,0,0,2|2,0,0]=4 693 B14R1.18023 CCOC(=O)CSc1c(nsc1N)C 62a_100000188475_100000701153 [0,0,0,0,0,2|2,0,0]=4 694 B14R1.18023 CCOC(=O)CSc1c(nsc1N)C 62a_100000701153_100000188475 [0,0,0,0,0,2|2,0,0]=4 695 B14R1.18023 CNNC(=O)CCc1c(n[nH]c1C)C 22a_100016993582_100000189673 [0,0,0,0,0,2|2,0,0]=4 696 B14R1.18023 CNNC(=O)NCc1c(n[nH]c1C)C 273464a_100015183965_100016993582 [0,0,0,0,0,2|2,0,0]=4 697 B14R1.18023 CNNC(=O)NCc1c(n[nH]c1C)C 512a_100015183965_100016993582 [0,0,0,0,0,2|2,0,0]=4 698 B14R1.18023 CNNC(=O)NCc1c(n[nH]c1C)C 512a_100016993582_100015183965 [0,0,0,0,0,2|2,0,0]=4 699 B14R1.18023 COCC(=O)CCc1c(n[nH]c1C)C 1458a_100000210968_100011219447 [0,0,0,0,0,2|2,0,0]=4 700 B14R1.18023 COCC(=O)NCc1c(n[nH]c1C)C 11a_100015183965_100000210968 [0,0,0,0,0,2|2,0,0]=4 701 B14R1.18023 COCC(=O)NCc1c(n[nH]c1C)C 240690a_100015183965_100000210968 [0,0,0,0,0,2|2,0,0]=4 702 B14R1.18023 COCC(=O)NCc1c(n[nH]c1C)C 527a_100015183965_100000210968 [0,0,0,0,0,2|2,0,0]=4 703 B14R1.18023 CSCC(=O)CCc1c(n[nH]c1C)C 1458a_100000184570_100011219447 [0,0,0,0,0,2|2,0,0]=4 704 B14R1.18023 CSCC(=O)NCc1c(n[nH]c1C)C 11a_100015183965_100000184570 [0,0,0,0,0,2|2,0,0]=4 705 B14R1.18023 CSCC(=O)NCc1c(n[nH]c1C)C 240690a_100015183965_100000184570 [0,0,0,0,0,2|2,0,0]=4 706 B14R1.18023 CSCC(=O)NCc1c(n[nH]c1C)C 527a_100015183965_100000184570 [0,0,0,0,0,2|2,0,0]=4 707 B14R1.18023 Cc1n[nH]c(c1CCC(=O)CCF)C 1458a_100000189673_100011217306 [0,0,0,0,0,2|2,0,0]=4 708 B14R1.18023 Cc1n[nH]c(c1CCC(=O)CCO)C 1458a_100000189673_100000211926 [0,0,0,0,0,2|2,0,0]=4 709 B14R1.18023 Cc1n[nH]c(c1CCC(=O)CCO)C 1458a_100011216618_100011219447 [0,0,0,0,0,2|2,0,0]=4 710 B14R1.18023 Cc1n[nH]c(c1CNC(=O)CCO)C 240690a_100015183965_100011216618 [0,0,0,0,0,2|2,0,0]=4 711 B14R1.18023 Cc1n[nH]c(c1OCC(=O)NCO)C 34a_100012186652_100000185155 [0,0,0,0,0,2|2,0,0]=4 712 B14R1.18023 Cc1n[nH]c(c1SCC(=O)NCO)C 62a_100000185155_100000238710 [0,0,0,0,0,2|2,0,0]=4 713 B14R1.18023 Cc1n[nH]c(c1SCC(=O)NCO)C 62a_100000238710_100000185155 [0,0,0,0,0,2|2,0,0]=4