0 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.3 C1=C(CCCC1)c2ccccn2 271570a_100000062251_100011216584 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.3 C1=C(CCCC1)c2cccnn2 271570a_100000062251_100016991348 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.3 C1=C(CCCC1)c2ccncc2 271570a_100000062251_100000035832 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.3 C1=C(CCCC1)c2ccnnc2 271570a_100000062251_100000732662 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.3 C1=C(CCCC1)c2cnccn2 271570a_100000062251_100000758340 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.3 C1=C(CCCC1)c2cncnc2 271570a_100000062251_100011206942 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.3 C1=C(CCCC1)c2cnnnc2 271570a_100000062251_100009846058 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.3 C1=C(CCCO1)c2cccnc2 271570a_100010175576_100000752921 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.3 C1=C(CCCO1)c2cccnn2 271570a_100010175576_100016991348 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.3 C1=C(CCCO1)c2ccnnc2 271570a_100010175576_100000732662 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.3 C1=C(CCCO1)c2cnccn2 271570a_100010175576_100000758340 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.3 C1=C(CCCO1)c2cncnc2 271570a_100010175576_100011206942 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.3 C1=C(CCNC1)c2cccnc2 271570a_100000731432_100000752921 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.3 C1=C(CCNC1)c2cccnn2 271570a_100000731432_100016991348 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.3 C1=C(CCNC1)c2ccnnc2 271570a_100000731432_100000732662 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.3 C1=C(CCNC1)c2cnccn2 271570a_100000731432_100000758340 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.3 C1=C(CCNC1)c2cncnc2 271570a_100000731432_100011206942 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.3 C1=C(CCOC1)c2cccnc2 271570a_100000070234_100000752921 [0,0,0,0,0,0|2,0,1]=3 23 B13R2.3 C1=C(CCOC1)c2cccnn2 271570a_100000070234_100016991348 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.3 C1=C(CCOC1)c2ccnnc2 271570a_100000070234_100000732662 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.3 C1=C(CCOC1)c2cnccn2 271570a_100000070234_100000758340 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.3 C1=C(CCOC1)c2cncnc2 271570a_100000070234_100011206942 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,0,0,0,0,0|3,0,1]=4 28 B13R2.3 C1=C(CCSC1)c2cccnc2 271570a_100010232141_100000752921 [0,0,0,0,0,0|2,0,1]=3 29 B13R2.3 C1=C(CCSC1)c2cccnn2 271570a_100010232141_100016991348 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.3 C1=C(CCSC1)c2ccnnc2 271570a_100010232141_100000732662 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.3 C1=C(CCSC1)c2cnccn2 271570a_100010232141_100000758340 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.3 C1=C(CCSC1)c2cncnc2 271570a_100010232141_100011206942 [0,0,0,0,0,0|3,0,1]=4 33 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,0,0,0,0,0|2,0,2]=4 34 B13R2.3 C1=C(OCCC1)c2cccnc2 271570a_100010177797_100000752921 [0,0,0,0,0,0|1,0,2]=3 35 B13R2.3 C1=C(OCCC1)c2cccnn2 271570a_100010177797_100016991348 [0,0,0,0,0,0|2,0,2]=4 36 B13R2.3 C1=C(OCCC1)c2ccnnc2 271570a_100010177797_100000732662 [0,0,0,0,0,0|2,0,2]=4 37 B13R2.3 C1=C(OCCC1)c2cnccn2 271570a_100010177797_100000758340 [0,0,0,0,0,0|2,0,2]=4 38 B13R2.3 C1=C(OCCC1)c2cncnc2 271570a_100010177797_100011206942 [0,0,0,0,0,0|2,0,2]=4 39 B13R2.3 c1cnc(cn1)N2CCOCC2 27a_100015191051_100000211759 [0,0,0,0,0,0|4,0,0]=4 40 B13R2.3 c1cnc(cn1)N2CCSCC2 27a_100000737611_100000211759 [0,0,0,0,0,0|4,0,0]=4 41 B13R2.3 c1cnnc(c1)N2CCOCC2 27a_100015191051_100016991348 [0,0,0,0,0,0|4,0,0]=4 42 B13R2.3 c1cnnc(c1)N2CCSCC2 27a_100000737611_100016991348 [0,0,0,0,0,0|4,0,0]=4 43 B14R2.21 Brc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000691529 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.21 Brc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000728054 [0,1,0,0,0,0|1,0,1]=3 45 B14R2.21 Brc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000728054 [0,1,0,0,0,0|1,0,2]=4 46 B14R2.21 Brc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000728054 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.21 Brc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000728054 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.21 Brc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000728054 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.21 Brc1cncc(c1)C2=COCCC2 271570a_100010175576_100000728054 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.21 C[C@H]1CCCN(C1)c2cccnn2 27a_100000717927_100016991348 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.21 C[C@H]1CCCN(C1)c2cnccn2 27a_100000717927_100000211759 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.21 C[n+]1cccc(c1)C2=CCCCC2 271570a_100000062251_100009996589 [0,1,0,0,0,0|1,0,2]=4 59 B14R2.21 Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011215228 [0,1,0,0,0,0|2,0,1]=4 60 B14R2.21 Cc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000760492 [0,1,0,0,0,0|1,0,1]=3 61 B14R2.21 Cc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000760492 [0,1,0,0,0,0|1,0,2]=4 62 B14R2.21 Cc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000760492 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.21 Cc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000760492 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.21 Cc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000760492 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.21 Cc1cncc(c1)C2=COCCC2 271570a_100010175576_100000760492 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.21 Cc1cncc(n1)C2=CCCCC2 271570a_100000062251_100009842155 [0,1,0,0,0,0|2,0,1]=4 67 B14R2.21 Cc1cnnc(c1)C2=CCCCC2 271570a_100000062251_100000070100 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.21 Clc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000699651 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.21 Clc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000049639 [0,1,0,0,0,0|1,0,1]=3 70 B14R2.21 Clc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000049639 [0,1,0,0,0,0|1,0,2]=4 71 B14R2.21 Clc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000049639 [0,1,0,0,0,0|2,0,1]=4 72 B14R2.21 Clc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000049639 [0,1,0,0,0,0|2,0,1]=4 73 B14R2.21 Clc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000049639 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.21 Clc1cncc(c1)C2=COCCC2 271570a_100010175576_100000049639 [0,1,0,0,0,0|2,0,1]=4 75 B14R2.21 FC1CCCN(C1)c2cccnn2 27a_100000697950_100016991348 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.21 FC1CCCN(C1)c2cnccn2 27a_100000697950_100000211759 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.21 Fc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000685547 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.21 Fc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000744099 [0,1,0,0,0,0|1,0,1]=3 79 B14R2.21 Fc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000744099 [0,1,0,0,0,0|1,0,2]=4 80 B14R2.21 Fc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000744099 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.21 Fc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000744099 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.21 Fc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000744099 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.21 Fc1cncc(c1)C2=COCCC2 271570a_100010175576_100000744099 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.21 Fc1cncc(n1)C2=CCCCC2 271570a_100000062251_200009863489 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.21 Nc1cc(cnn1)C2=CCCCC2 271570a_100000062251_100000130277 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.21 Nc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000210019 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.21 Nc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000687067 [0,1,0,0,0,0|1,0,1]=3 88 B14R2.21 Nc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000687067 [0,1,0,0,0,0|1,0,2]=4 89 B14R2.21 Nc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000687067 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.21 Nc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000687067 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.21 Nc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000687067 [0,1,0,0,0,0|2,0,1]=4 92 B14R2.21 Nc1cncc(c1)C2=COCCC2 271570a_100010175576_100000687067 [0,1,0,0,0,0|2,0,1]=4 93 B14R2.21 Nc1cncc(n1)C2=CCCCC2 271570a_100000062251_100009819714 [0,1,0,0,0,0|2,0,1]=4 94 B14R2.21 O=C1C=C(CCC1)c2cccnc2 271570a_100000723966_100000752921 [0,1,0,0,0,0|1,0,2]=4 95 B14R2.21 O=c1cc(cn[nH]1)C2=CCCCC2 271570a_100000062251_100010197405 [0,1,0,0,0,0|2,0,1]=4 96 B14R2.21 OC1CCCN(C1)c2cccnn2 27a_100000211013_100016991348 [0,1,0,0,0,0|3,0,0]=4 97 B14R2.21 OC1CCCN(C1)c2cnccn2 27a_100000211013_100000211759 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.21 Oc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000211634 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.21 Oc1cccc(c1)C2CCNCC2 271570a_203496583355_100000726733 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.21 Oc1cccc(c1)C2OCCCO2 271570a_203496583355_100000752065 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.21 Oc1cccc(c1)N2CCCCC2 271570a_203496583355_100159271270 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.21 Oc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000754920 [0,1,0,0,0,0|1,0,1]=3 103 B14R2.21 Oc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000754920 [0,1,0,0,0,0|1,0,2]=4 104 B14R2.21 Oc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000754920 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.21 Oc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000754920 [0,1,0,0,0,0|2,0,1]=4 106 B14R2.21 Oc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000754920 [0,1,0,0,0,0|2,0,1]=4 107 B14R2.21 Oc1cncc(c1)C2=COCCC2 271570a_100010175576_100000754920 [0,1,0,0,0,0|2,0,1]=4 108 B14R2.21 Oc1cncc(c1)N2CCNCC2 271570a_203496583355_102495364777 [0,1,0,0,0,0|3,0,0]=4 109 B14R2.21 Oc1cncc(c1)N2CCOCC2 271570a_203496583355_100011949866 [0,1,0,0,0,0|3,0,0]=4 110 B14R2.21 Oc1cncc(n1)C2=CCCCC2 271570a_100000062251_100011269956 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.21 Oc1cncc(n1)N2CCCCC2 271570a_203496583355_100011209846 [0,1,0,0,0,0|3,0,0]=4 112 B14R2.21 Oc1cnnc(c1)C2=CCCCC2 271570a_100000062251_200010734679 [0,1,0,0,0,0|2,0,1]=4 113 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [0,1,0,0,0,0|3,0,0]=4 114 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [0,1,0,0,0,0|3,0,0]=4 115 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [0,1,0,0,0,0|3,0,0]=4 116 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [0,1,0,0,0,0|3,0,0]=4 117 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.21 [O-][n+]1cccc(c1)C2=CCCCC2 271570a_100000062251_100009815978 [0,1,0,0,0,0|1,0,2]=4 120 B14R2.21 [S]c1cccc(c1)C2=CCCCC2 271570a_100000062251_114929384022 [0,1,0,0,0,0|2,0,1]=4 121 B14R2.24 Brc1ccccc1C2=CCCCC2 271570a_100000062251_100000695589 [0,1,0,0,0,0|2,0,1]=4 122 B14R2.24 Brc1ccncc1C2=CCCCC2 271570a_100000062251_100010138639 [0,1,0,0,0,0|1,0,1]=3 123 B14R2.24 Brc1ccncc1C2=CCCCO2 271570a_100010177797_100010138639 [0,1,0,0,0,0|1,0,2]=4 124 B14R2.24 Brc1ccncc1C2=CCNCC2 271570a_100000731432_100010138639 [0,1,0,0,0,0|2,0,1]=4 125 B14R2.24 Brc1ccncc1C2=CCOCC2 271570a_100000070234_100010138639 [0,1,0,0,0,0|2,0,1]=4 126 B14R2.24 Brc1ccncc1C2=CCSCC2 271570a_100010232141_100010138639 [0,1,0,0,0,0|2,0,1]=4 127 B14R2.24 Brc1ccncc1C2=COCCC2 271570a_100010175576_100010138639 [0,1,0,0,0,0|2,0,1]=4 128 B14R2.24 Brc1ncccc1C2=CCCCC2 271570a_100000062251_100010202626 [0,1,0,0,0,0|1,0,1]=3 129 B14R2.24 Brc1ncccc1C2=CCCCO2 271570a_100010177797_100010202626 [0,1,0,0,0,0|1,0,2]=4 130 B14R2.24 Brc1ncccc1C2=CCNCC2 271570a_100000731432_100010202626 [0,1,0,0,0,0|2,0,1]=4 131 B14R2.24 Brc1ncccc1C2=CCOCC2 271570a_100000070234_100010202626 [0,1,0,0,0,0|2,0,1]=4 132 B14R2.24 Brc1ncccc1C2=CCSCC2 271570a_100010232141_100010202626 [0,1,0,0,0,0|2,0,1]=4 133 B14R2.24 Brc1ncccc1C2=COCCC2 271570a_100010175576_100010202626 [0,1,0,0,0,0|2,0,1]=4 134 B14R2.24 Brc1ncncc1C2=CCCCC2 271570a_100000062251_200012461658 [0,1,0,0,0,0|2,0,1]=4 135 B14R2.24 CC1CCCCN1c2cccnn2 27a_100000211376_100016991348 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.24 CC1CCCCN1c2cnccn2 27a_100000211376_100000211759 [0,1,0,0,0,0|3,0,0]=4 137 B14R2.24 CN1CC=CCC1c2cccnc2 2230a_100000065465_200000210301 [0,1,0,0,0,0|0,0,2]=3 138 B14R2.24 CN1CC=CCC1c2cccnc2 269982a_100000065465_200000210301 [0,1,0,0,0,0|0,0,2]=3 139 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [0,1,0,0,0,0|1,0,0]=2 140 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [0,1,0,0,0,0|1,0,0]=2 141 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [0,1,0,0,0,0|1,0,0]=2 142 B14R2.24 CN1CCCCC1c2ccccn2 2230a_100015185292_200000210301 [0,1,0,0,0,0|2,0,0]=3 143 B14R2.24 CN1CCCCC1c2ccccn2 269982a_100015185292_200000210301 [0,1,0,0,0,0|2,0,0]=3 144 B14R2.24 CN1CCCCC1c2cccnc2 2230a_100000723942_200000210301 [0,1,0,0,0,0|0,0,0]=1 145 B14R2.24 CN1CCCCC1c2cccnc2 269982a_100000723942_200000210301 [0,1,0,0,0,0|0,0,0]=1 146 B14R2.24 CN1CCOCC1c2ccccc2 2230a_100000765270_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B14R2.24 CN1CCOCC1c2ccccc2 269982a_100000765270_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B14R2.24 CN1CCOCC1c2ccccc2 34a_100000765270_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B14R2.24 CN1CCSCC1c2ccccc2 2230a_102495339932_200000210301 [0,1,0,0,0,0|2,0,0]=3 150 B14R2.24 CN1CCSCC1c2ccccc2 269982a_102495339932_200000210301 [0,1,0,0,0,0|2,0,0]=3 151 B14R2.24 CN1CCSCC1c2ccccc2 7a_102495339932_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B14R2.24 Cc1ccccc1C2=CCCCC2 271570a_100000062251_100000210755 [0,1,0,0,0,0|2,0,1]=4 153 B14R2.24 Cc1ccncc1C2=CCCCC2 271570a_100000062251_100000761580 [0,1,0,0,0,0|1,0,1]=3 154 B14R2.24 Cc1ccncc1C2=CCCCO2 271570a_100010177797_100000761580 [0,1,0,0,0,0|1,0,2]=4 155 B14R2.24 Cc1ccncc1C2=CCNCC2 271570a_100000731432_100000761580 [0,1,0,0,0,0|2,0,1]=4 156 B14R2.24 Cc1ccncc1C2=CCOCC2 271570a_100000070234_100000761580 [0,1,0,0,0,0|2,0,1]=4 157 B14R2.24 Cc1ccncc1C2=CCSCC2 271570a_100010232141_100000761580 [0,1,0,0,0,0|2,0,1]=4 158 B14R2.24 Cc1ccncc1C2=COCCC2 271570a_100010175576_100000761580 [0,1,0,0,0,0|2,0,1]=4 159 B14R2.24 Cc1ccnnc1C2=CCCCC2 271570a_100000062251_100000089043 [0,1,0,0,0,0|2,0,1]=4 160 B14R2.24 Cc1ncccc1C2=CCCCC2 271570a_100000062251_100000751574 [0,1,0,0,0,0|1,0,1]=3 161 B14R2.24 Cc1ncccc1C2=CCCCO2 271570a_100010177797_100000751574 [0,1,0,0,0,0|1,0,2]=4 162 B14R2.24 Cc1ncccc1C2=CCNCC2 271570a_100000731432_100000751574 [0,1,0,0,0,0|2,0,1]=4 163 B14R2.24 Cc1ncccc1C2=CCOCC2 271570a_100000070234_100000751574 [0,1,0,0,0,0|2,0,1]=4 164 B14R2.24 Cc1ncccc1C2=CCSCC2 271570a_100010232141_100000751574 [0,1,0,0,0,0|2,0,1]=4 165 B14R2.24 Cc1ncccc1C2=COCCC2 271570a_100010175576_100000751574 [0,1,0,0,0,0|2,0,1]=4 166 B14R2.24 Cc1nccnc1C2=CCCCC2 271570a_100000062251_100011999405 [0,1,0,0,0,0|2,0,1]=4 167 B14R2.24 Cc1ncncc1C2=CCCCC2 271570a_100000062251_100009819671 [0,1,0,0,0,0|2,0,1]=4 168 B14R2.24 Clc1ccccc1C2=CCCCC2 271570a_100000062251_100000764095 [0,1,0,0,0,0|2,0,1]=4 169 B14R2.24 Clc1ccncc1C2=CCCCC2 271570a_100000062251_100009995489 [0,1,0,0,0,0|1,0,1]=3 170 B14R2.24 Clc1ccncc1C2=CCCCO2 271570a_100010177797_100009995489 [0,1,0,0,0,0|1,0,2]=4 171 B14R2.24 Clc1ccncc1C2=CCNCC2 271570a_100000731432_100009995489 [0,1,0,0,0,0|2,0,1]=4 172 B14R2.24 Clc1ccncc1C2=CCOCC2 271570a_100000070234_100009995489 [0,1,0,0,0,0|2,0,1]=4 173 B14R2.24 Clc1ccncc1C2=CCSCC2 271570a_100010232141_100009995489 [0,1,0,0,0,0|2,0,1]=4 174 B14R2.24 Clc1ccncc1C2=COCCC2 271570a_100010175576_100009995489 [0,1,0,0,0,0|2,0,1]=4 175 B14R2.24 Clc1ncccc1C2=CCCCC2 271570a_100000062251_100000036424 [0,1,0,0,0,0|1,0,1]=3 176 B14R2.24 Clc1ncccc1C2=CCCCO2 271570a_100010177797_100000036424 [0,1,0,0,0,0|1,0,2]=4 177 B14R2.24 Clc1ncccc1C2=CCNCC2 271570a_100000731432_100000036424 [0,1,0,0,0,0|2,0,1]=4 178 B14R2.24 Clc1ncccc1C2=CCOCC2 271570a_100000070234_100000036424 [0,1,0,0,0,0|2,0,1]=4 179 B14R2.24 Clc1ncccc1C2=CCSCC2 271570a_100010232141_100000036424 [0,1,0,0,0,0|2,0,1]=4 180 B14R2.24 Clc1ncccc1C2=COCCC2 271570a_100010175576_100000036424 [0,1,0,0,0,0|2,0,1]=4 181 B14R2.24 Clc1ncncc1C2=CCCCC2 271570a_100000062251_100000758962 [0,1,0,0,0,0|2,0,1]=4 182 B14R2.24 Fc1ccccc1C2=CCCCC2 271570a_100000062251_100011215700 [0,1,0,0,0,0|2,0,1]=4 183 B14R2.24 Fc1ccncc1C2=CCCCC2 271570a_100000062251_100009820683 [0,1,0,0,0,0|1,0,1]=3 184 B14R2.24 Fc1ccncc1C2=CCCCO2 271570a_100010177797_100009820683 [0,1,0,0,0,0|1,0,2]=4 185 B14R2.24 Fc1ccncc1C2=CCNCC2 271570a_100000731432_100009820683 [0,1,0,0,0,0|2,0,1]=4 186 B14R2.24 Fc1ccncc1C2=CCOCC2 271570a_100000070234_100009820683 [0,1,0,0,0,0|2,0,1]=4 187 B14R2.24 Fc1ccncc1C2=CCSCC2 271570a_100010232141_100009820683 [0,1,0,0,0,0|2,0,1]=4 188 B14R2.24 Fc1ccncc1C2=COCCC2 271570a_100010175576_100009820683 [0,1,0,0,0,0|2,0,1]=4 189 B14R2.24 Fc1ncccc1C2=CCCCC2 271570a_100000062251_100009816115 [0,1,0,0,0,0|1,0,1]=3 190 B14R2.24 Fc1ncccc1C2=CCCCO2 271570a_100010177797_100009816115 [0,1,0,0,0,0|1,0,2]=4 191 B14R2.24 Fc1ncccc1C2=CCNCC2 271570a_100000731432_100009816115 [0,1,0,0,0,0|2,0,1]=4 192 B14R2.24 Fc1ncccc1C2=CCOCC2 271570a_100000070234_100009816115 [0,1,0,0,0,0|2,0,1]=4 193 B14R2.24 Fc1ncccc1C2=CCSCC2 271570a_100010232141_100009816115 [0,1,0,0,0,0|2,0,1]=4 194 B14R2.24 Fc1ncccc1C2=COCCC2 271570a_100010175576_100009816115 [0,1,0,0,0,0|2,0,1]=4 195 B14R2.24 Fc1nccnc1C2=CCCCC2 271570a_100000062251_200010125657 [0,1,0,0,0,0|2,0,1]=4 196 B14R2.24 Nc1ccccc1C2=CCCCC2 271570a_100000062251_100000210017 [0,1,0,0,0,0|2,0,1]=4 197 B14R2.24 Nc1ccncc1C2=CCCCC2 271570a_100000062251_100000047001 [0,1,0,0,0,0|1,0,1]=3 198 B14R2.24 Nc1ccncc1C2=CCCCO2 271570a_100010177797_100000047001 [0,1,0,0,0,0|1,0,2]=4 199 B14R2.24 Nc1ccncc1C2=CCNCC2 271570a_100000731432_100000047001 [0,1,0,0,0,0|2,0,1]=4 200 B14R2.24 Nc1ccncc1C2=CCOCC2 271570a_100000070234_100000047001 [0,1,0,0,0,0|2,0,1]=4 201 B14R2.24 Nc1ccncc1C2=CCSCC2 271570a_100010232141_100000047001 [0,1,0,0,0,0|2,0,1]=4 202 B14R2.24 Nc1ccncc1C2=COCCC2 271570a_100010175576_100000047001 [0,1,0,0,0,0|2,0,1]=4 203 B14R2.24 Nc1cnncc1C2=CCCCC2 271570a_100000062251_100009829405 [0,1,0,0,0,0|2,0,1]=4 204 B14R2.24 Nc1ncccc1C2=CCCCC2 271570a_100000062251_100000045569 [0,1,0,0,0,0|1,0,1]=3 205 B14R2.24 Nc1ncccc1C2=CCCCO2 271570a_100010177797_100000045569 [0,1,0,0,0,0|1,0,2]=4 206 B14R2.24 Nc1ncccc1C2=CCNCC2 271570a_100000731432_100000045569 [0,1,0,0,0,0|2,0,1]=4 207 B14R2.24 Nc1ncccc1C2=CCOCC2 271570a_100000070234_100000045569 [0,1,0,0,0,0|2,0,1]=4 208 B14R2.24 Nc1ncccc1C2=CCSCC2 271570a_100010232141_100000045569 [0,1,0,0,0,0|2,0,1]=4 209 B14R2.24 Nc1ncccc1C2=COCCC2 271570a_100010175576_100000045569 [0,1,0,0,0,0|2,0,1]=4 210 B14R2.24 Nc1nccnc1C2=CCCCC2 271570a_100000062251_100000747729 [0,1,0,0,0,0|2,0,1]=4 211 B14R2.24 Nc1ncncc1C2=CCCCC2 271570a_100000062251_100011996079 [0,1,0,0,0,0|2,0,1]=4 212 B14R2.24 O=c1[nH]cccc1C2=CCCCC2 271570a_100000062251_100000050042 [0,1,0,0,0,0|1,0,2]=4 213 B14R2.24 O=c1cc[nH]cc1C2=CCCCC2 271570a_100000062251_100009998708 [0,1,0,0,0,0|1,0,2]=4 214 B14R2.24 Oc1ccccc1C2=CCCCC2 271570a_100000062251_100000739446 [0,1,0,0,0,0|2,0,1]=4 215 B14R2.24 Oc1ccccc1C2CCCCC2 271570a_203496583355_200009813743 [0,1,0,0,0,0|2,0,0]=3 216 B14R2.24 Oc1ccccc1C2CCCCN2 271570a_203496583355_100010004825 [0,1,0,0,0,0|1,0,0]=2 217 B14R2.24 Oc1ccccc1C2CNCCN2 271570a_203496583355_200010178367 [0,1,0,0,0,0|2,0,0]=3 218 B14R2.24 Oc1ccccc1N2CCCCC2 271570a_203496583355_100159312943 [0,1,0,0,0,0|3,0,0]=4 219 B14R2.24 Oc1ncncc1C2=CCCCC2 271570a_100000062251_100000751107 [0,1,0,0,0,0|2,0,1]=4 220 B14R2.24 S=c1cc[nH]cc1C2=CCCCC2 271570a_100000062251_200012280681 [0,1,0,0,0,0|1,0,2]=4 221 B14R2.24 [13CH3]N1CC=CCC1c2cccnc2 2230a_100000065465_200025704644 [0,1,0,0,0,0|0,0,2]=3 222 B14R2.24 [13CH3]N1CC=CCC1c2cccnc2 269982a_100000065465_200025704644 [0,1,0,0,0,0|0,0,2]=3 223 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [0,1,0,0,0,0|1,0,0]=2 224 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [0,1,0,0,0,0|1,0,0]=2 225 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [0,1,0,0,0,0|1,0,0]=2 226 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 2230a_100015185292_200025704644 [0,1,0,0,0,0|2,0,0]=3 227 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 269982a_100015185292_200025704644 [0,1,0,0,0,0|2,0,0]=3 228 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 2230a_100000723942_200025704644 [0,1,0,0,0,0|0,0,0]=1 229 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 269982a_100000723942_200025704644 [0,1,0,0,0,0|0,0,0]=1 230 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 2230a_100000765270_200025704644 [0,1,0,0,0,0|2,0,0]=3 231 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 269982a_100000765270_200025704644 [0,1,0,0,0,0|2,0,0]=3 232 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 34a_100000765270_200025704644 [0,1,0,0,0,0|2,0,0]=3 233 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 2230a_102495339932_200025704644 [0,1,0,0,0,0|2,0,0]=3 234 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 269982a_102495339932_200025704644 [0,1,0,0,0,0|2,0,0]=3 235 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 7a_102495339932_200025704644 [0,1,0,0,0,0|2,0,0]=3 236 B14R2.68 Brc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000752885 [0,1,0,0,0,0|2,0,1]=4 237 B14R2.68 Brc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100009814638 [0,1,0,0,0,0|1,0,1]=3 238 B14R2.68 Brc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100009814638 [0,1,0,0,0,0|1,0,2]=4 239 B14R2.68 Brc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100009814638 [0,1,0,0,0,0|2,0,1]=4 240 B14R2.68 Brc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100009814638 [0,1,0,0,0,0|2,0,1]=4 241 B14R2.68 Brc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100009814638 [0,1,0,0,0,0|2,0,1]=4 242 B14R2.68 Brc1ccc(cn1)C2=COCCC2 271570a_100010175576_100009814638 [0,1,0,0,0,0|2,0,1]=4 243 B14R2.68 Brc1ncc(cn1)C2=CCCCC2 271570a_100000062251_200012349914 [0,1,0,0,0,0|2,0,1]=4 244 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [0,1,0,0,0,0|2,0,1]=4 245 B14R2.68 CC1CC=C(CC1)c2cccnc2 271570a_100010240233_100000752921 [0,1,0,0,0,0|1,0,1]=3 246 B14R2.68 CC1CC=C(CC1)c2cccnn2 271570a_100010240233_100016991348 [0,1,0,0,0,0|2,0,1]=4 247 B14R2.68 CC1CC=C(CC1)c2ccnnc2 271570a_100010240233_100000732662 [0,1,0,0,0,0|2,0,1]=4 248 B14R2.68 CC1CC=C(CC1)c2cnccn2 271570a_100010240233_100000758340 [0,1,0,0,0,0|2,0,1]=4 249 B14R2.68 CC1CC=C(CC1)c2cncnc2 271570a_100010240233_100011206942 [0,1,0,0,0,0|2,0,1]=4 250 B14R2.68 CC1CCN(CC1)c2cccnn2 27a_100000188429_100016991348 [0,1,0,0,0,0|3,0,0]=4 251 B14R2.68 CC1CCN(CC1)c2cnccn2 27a_100000188429_100000211759 [0,1,0,0,0,0|3,0,0]=4 252 B14R2.68 CN1CCC(CC1)c2ccccc2 2230a_100000736203_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B14R2.68 CN1CCC(CC1)c2ccccc2 269982a_100000736203_200000210301 [0,1,0,0,0,0|3,0,0]=4 254 B14R2.68 CN1CCC(CC1)c2ccccc2 34a_100000736203_200000210301 [0,1,0,0,0,0|3,0,0]=4 255 B14R2.68 CN1CCN(CC1)c2cccnc2 2230a_100011360377_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B14R2.68 CN1CCN(CC1)c2cccnc2 269982a_100011360377_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B14R2.68 Cc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000186775 [0,1,0,0,0,0|2,0,1]=4 258 B14R2.68 Cc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000751577 [0,1,0,0,0,0|1,0,1]=3 259 B14R2.68 Cc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000751577 [0,1,0,0,0,0|1,0,2]=4 260 B14R2.68 Cc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000751577 [0,1,0,0,0,0|2,0,1]=4 261 B14R2.68 Cc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000751577 [0,1,0,0,0,0|2,0,1]=4 262 B14R2.68 Cc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000751577 [0,1,0,0,0,0|2,0,1]=4 263 B14R2.68 Cc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000751577 [0,1,0,0,0,0|2,0,1]=4 264 B14R2.68 Cc1ccc(nn1)C2=CCCCC2 271570a_100000062251_100011450037 [0,1,0,0,0,0|2,0,1]=4 265 B14R2.68 Cc1cnc(cn1)C2=CCCCC2 271570a_100000062251_100011999403 [0,1,0,0,0,0|2,0,1]=4 266 B14R2.68 Cc1ncc(cn1)C2=CCCCC2 271570a_100000062251_100000686985 [0,1,0,0,0,0|2,0,1]=4 267 B14R2.68 Clc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000755918 [0,1,0,0,0,0|2,0,1]=4 268 B14R2.68 Clc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000034144 [0,1,0,0,0,0|1,0,1]=3 269 B14R2.68 Clc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000034144 [0,1,0,0,0,0|1,0,2]=4 270 B14R2.68 Clc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000034144 [0,1,0,0,0,0|2,0,1]=4 271 B14R2.68 Clc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000034144 [0,1,0,0,0,0|2,0,1]=4 272 B14R2.68 Clc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000034144 [0,1,0,0,0,0|2,0,1]=4 273 B14R2.68 Clc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000034144 [0,1,0,0,0,0|2,0,1]=4 274 B14R2.68 FC1CCN(CC1)c2cccnn2 27a_100015193889_100016991348 [0,1,0,0,0,0|3,0,0]=4 275 B14R2.68 FC1CCN(CC1)c2cnccn2 27a_100015193889_100000211759 [0,1,0,0,0,0|3,0,0]=4 276 B14R2.68 Fc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000211213 [0,1,0,0,0,0|2,0,1]=4 277 B14R2.68 Fc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000748661 [0,1,0,0,0,0|1,0,1]=3 278 B14R2.68 Fc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000748661 [0,1,0,0,0,0|1,0,2]=4 279 B14R2.68 Fc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000748661 [0,1,0,0,0,0|2,0,1]=4 280 B14R2.68 Fc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000748661 [0,1,0,0,0,0|2,0,1]=4 281 B14R2.68 Fc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000748661 [0,1,0,0,0,0|2,0,1]=4 282 B14R2.68 Fc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000748661 [0,1,0,0,0,0|2,0,1]=4 283 B14R2.68 Fc1cnc(cn1)C2=CCCCC2 271570a_100000062251_100009856528 [0,1,0,0,0,0|2,0,1]=4 284 B14R2.68 Fc1ncc(cn1)C2=CCCCC2 271570a_100000062251_100000685262 [0,1,0,0,0,0|2,0,1]=4 285 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185761 [0,1,0,0,0,0|2,0,1]=4 286 B14R2.68 Nc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000187370 [0,1,0,0,0,0|1,0,1]=3 287 B14R2.68 Nc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000187370 [0,1,0,0,0,0|1,0,2]=4 288 B14R2.68 Nc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000187370 [0,1,0,0,0,0|2,0,1]=4 289 B14R2.68 Nc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000187370 [0,1,0,0,0,0|2,0,1]=4 290 B14R2.68 Nc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000187370 [0,1,0,0,0,0|2,0,1]=4 291 B14R2.68 Nc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000187370 [0,1,0,0,0,0|2,0,1]=4 292 B14R2.68 Nc1ccc(nn1)C2=CCCCC2 271570a_100000062251_100009816609 [0,1,0,0,0,0|2,0,1]=4 293 B14R2.68 Nc1cnc(cn1)C2=CCCCC2 271570a_100000062251_100000761932 [0,1,0,0,0,0|2,0,1]=4 294 B14R2.68 Nc1ncc(cn1)C2=CCCCC2 271570a_100000062251_100000760574 [0,1,0,0,0,0|2,0,1]=4 295 B14R2.68 O=c1ccc(c[nH]1)C2=CCCCC2 271570a_100000062251_100000212171 [0,1,0,0,0,0|1,0,2]=4 296 B14R2.68 O=c1ncc(c[nH]1)C2=CCCCC2 271570a_100000062251_102495366499 [0,1,0,0,0,0|2,0,1]=4 297 B14R2.68 OC1CC=C(CC1)c2ccccc2 271570a_100010254553_100000210277 [0,1,0,0,0,0|2,0,1]=4 298 B14R2.68 OC1CC=C(CC1)c2cccnc2 271570a_100010254553_100000752921 [0,1,0,0,0,0|1,0,1]=3 299 B14R2.68 OC1CC=C(CC1)c2cccnn2 271570a_100010254553_100016991348 [0,1,0,0,0,0|2,0,1]=4 300 B14R2.68 OC1CC=C(CC1)c2ccnnc2 271570a_100010254553_100000732662 [0,1,0,0,0,0|2,0,1]=4 301 B14R2.68 OC1CC=C(CC1)c2cnccn2 271570a_100010254553_100000758340 [0,1,0,0,0,0|2,0,1]=4 302 B14R2.68 OC1CC=C(CC1)c2cncnc2 271570a_100010254553_100011206942 [0,1,0,0,0,0|2,0,1]=4 303 B14R2.68 OC1CCN(CC1)c2cccnn2 27a_100025773856_100016991348 [0,1,0,0,0,0|3,0,0]=4 304 B14R2.68 OC1CCN(CC1)c2cnccn2 27a_100025773856_100000211759 [0,1,0,0,0,0|3,0,0]=4 305 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185759 [0,1,0,0,0,0|2,0,1]=4 306 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_203496583355_100009811967 [0,1,0,0,0,0|2,0,1]=4 307 B14R2.68 Oc1ccc(cc1)C2CCCCC2 271570a_203496583355_100011217854 [0,1,0,0,0,0|2,0,0]=3 308 B14R2.68 Oc1ccc(cc1)C2CCCCN2 271570a_203496583355_100010004824 [0,1,0,0,0,0|1,0,0]=2 309 B14R2.68 Oc1ccc(cc1)C2CCNCC2 271570a_203496583355_100000727425 [0,1,0,0,0,0|3,0,0]=4 310 B14R2.68 Oc1ccc(cc1)C2CCOCC2 271570a_203496583355_100010167726 [0,1,0,0,0,0|3,0,0]=4 311 B14R2.68 Oc1ccc(cc1)C2CNCCN2 271570a_203496583355_100010163160 [0,1,0,0,0,0|2,0,0]=3 312 B14R2.68 Oc1ccc(cc1)C2CNCCO2 271570a_203496583355_100000745233 [0,1,0,0,0,0|3,0,0]=4 313 B14R2.68 Oc1ccc(cc1)N2CCCCC2 271570a_203496583355_100011821443 [0,1,0,0,0,0|3,0,0]=4 314 B14R2.68 Oc1ccc(cc1)[C@@H]2CCCNC2 271570a_203496583355_106439422950 [0,1,0,0,0,0|3,0,0]=4 315 B14R2.68 Oc1ccc(cn1)N2CCCCC2 271570a_203496583355_100010246967 [0,1,0,0,0,0|2,0,0]=3 316 B14R2.68 Oc1ccc(cn1)N2CCOCC2 271570a_203496583355_100009815499 [0,1,0,0,0,0|3,0,0]=4 317 B14R2.68 Oc1ccc(nn1)N2CCCCC2 271570a_203496583355_100000209946 [0,1,0,0,0,0|3,0,0]=4 318 B14R2.68 Oc1cnc(cn1)N2CCCCC2 271570a_203496583355_200012356706 [0,1,0,0,0,0|3,0,0]=4 319 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 2230a_100000736203_200025704644 [0,1,0,0,0,0|3,0,0]=4 320 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 269982a_100000736203_200025704644 [0,1,0,0,0,0|3,0,0]=4 321 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 34a_100000736203_200025704644 [0,1,0,0,0,0|3,0,0]=4 322 B14R2.68 [13CH3]N1CCN(CC1)c2cccnc2 2230a_100011360377_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B14R2.68 [13CH3]N1CCN(CC1)c2cccnc2 269982a_100011360377_200025704644 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,0,1,0,0,0|1,0,2]=4 325 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,0,1,0,0,0|3,0,0]=4 326 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,0,1,0,0,0|3,0,0]=4 327 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,0,1,0,0,0|3,0,0]=4 328 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,0,1,0,0,0|3,0,0]=4 329 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,0,1,0,0,0|3,0,0]=4 330 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,0,1,0,0,0|3,0,0]=4 331 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,0,1,0,0,0|3,0,0]=4 332 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,0,1,0,0,0|1,0,0]=2 333 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,0,1,0,0,0|1,0,0]=2 334 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,0,1,0,0,0|1,0,0]=2 335 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,0,1,0,0,0|2,0,0]=3 336 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,0,1,0,0,0|0,0,0]=1 337 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,0,1,0,0,0|0,0,0]=1 338 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,0,1,0,0,0|2,0,0]=3 339 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,0,1,0,0,0|1,0,0]=2 340 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,0,1,0,0,0|1,0,0]=2 341 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,0,1,0,0,0|0,0,0]=1 342 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,0,1,0,0,0|2,0,0]=3 343 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,0,1,0,0,0|2,0,0]=3 344 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,0,1,0,0,0|2,0,0]=3 345 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,0,1,0,0,0|2,0,0]=3 346 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 347 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,0,1,0,0,0|3,0,0]=4 348 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 349 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,0,1,0,0,0|3,0,0]=4 350 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 351 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,0,1,0,0,0|3,0,0]=4 352 B12R1.3 CCCN(CC)c1cccnn1 27a_100000226822_100016991348 [0,0,1,0,0,0|3,0,0]=4 353 B12R1.3 CCCN(CC)c1cnccn1 27a_100000226822_100000211759 [0,0,1,0,0,0|3,0,0]=4 354 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,0,1,0,0,0|1,0,0]=2 355 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,0,1,0,0,0|1,0,0]=2 356 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [0,0,1,0,0,0|2,0,0]=3 357 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [0,0,1,0,0,0|2,0,0]=3 358 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [0,0,1,0,0,0|0,0,0]=1 359 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [0,0,1,0,0,0|0,0,0]=1 360 B12R1.3 CCNC(CC)c1ccncc1 269862a_100015525214_100011216016 [0,0,1,0,0,0|2,0,0]=3 361 B12R1.3 CCNC(CC)c1cnccn1 2230a_200016994365_100000210202 [0,0,1,0,0,0|1,0,0]=2 362 B12R1.3 CCNC(CC)c1ncccn1 269862a_100015525214_200011350823 [0,0,1,0,0,0|3,0,0]=4 363 B12R1.3 CCNC(CC)c1ncccn1 270004a_100015525214_200011350823 [0,0,1,0,0,0|3,0,0]=4 364 B12R1.3 CCNC(CO)c1ccccn1 2230a_100015196888_100000210202 [0,0,1,0,0,0|3,0,0]=4 365 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,0,1,0,0,0|2,0,0]=3 366 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,0,1,0,0,0|2,0,0]=3 367 B12R1.3 CCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210202 [0,0,1,0,0,0|3,0,0]=4 368 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,0,1,0,0,0|3,0,0]=4 369 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,0,1,0,0,0|2,0,0]=3 370 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,0,1,0,0,0|2,0,0]=3 371 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,0,1,0,0,0|3,0,0]=4 372 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,0,1,0,0,0|3,0,0]=4 373 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,0,1,0,0,0|3,0,0]=4 374 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,0,1,0,0,0|2,0,0]=3 375 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,0,1,0,0,0|2,0,0]=3 376 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,0,1,0,0,0|2,0,0]=3 377 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,0,1,0,0,0|2,0,0]=3 378 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,0,1,0,0,0|2,0,0]=3 379 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,0,1,0,0,0|2,0,0]=3 380 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,0,1,0,0,0|3,0,0]=4 381 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,0,1,0,0,0|3,0,0]=4 382 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,0,1,0,0,0|3,0,0]=4 383 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,0,1,0,0,0|3,0,0]=4 384 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,0,1,0,0,0|3,0,0]=4 385 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,0,1,0,0,0|2,0,0]=3 386 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,0,1,0,0,0|2,0,0]=3 387 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,0,1,0,0,0|3,0,0]=4 388 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,0,1,0,0,0|3,0,0]=4 389 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,0,1,0,0,0|3,0,0]=4 390 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,0,1,0,0,0|3,0,0]=4 391 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,0,1,0,0,0|3,0,0]=4 392 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,0,1,0,0,0|2,0,0]=3 393 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,0,1,0,0,0|3,0,0]=4 394 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,0,1,0,0,0|3,0,0]=4 395 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,0,1,0,0,0|3,0,0]=4 396 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,0,1,0,0,0|3,0,0]=4 397 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,0,1,0,0,0|3,0,0]=4 398 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,0,1,0,0,0|3,0,0]=4 399 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,0,1,0,0,0|2,0,0]=3 400 B12R1.8 BrCCCOCc1cccnn1 34a_100011217188_100016990269 [0,0,1,0,0,0|3,0,0]=4 401 B12R1.8 BrCCCOCc1cnccn1 34a_100011217188_100016995436 [0,0,1,0,0,0|3,0,0]=4 402 B12R1.8 BrCCCOCc1cncnc1 34a_100011217188_100015196519 [0,0,1,0,0,0|3,0,0]=4 403 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,0,1,0,0,0|3,0,0]=4 404 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [0,0,1,0,0,0|2,0,1]=4 405 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [0,0,1,0,0,0|2,0,1]=4 406 B12R1.8 C#CCCCSc1cccnc1 62a_100000210063_100011215417 [0,0,1,0,0,0|2,0,1]=4 407 B12R1.8 C#CCCCSc1cccnc1 62a_100011215417_100000210063 [0,0,1,0,0,0|2,0,1]=4 408 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,0,1,0,0,0|1,0,2]=4 409 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,0,1,0,0,0|1,0,2]=4 410 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,0,1,0,0,0|1,0,2]=4 411 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [0,0,1,0,0,0|0,0,2]=3 412 B12R1.8 C#CCCNCc1cccnn1 2230a_100159270163_100000688953 [0,0,1,0,0,0|1,0,2]=4 413 B12R1.8 C#CCCNCc1cccnn1 34a_100000755551_100016990269 [0,0,1,0,0,0|1,0,2]=4 414 B12R1.8 C#CCCNCc1cnccn1 34a_100000755551_100016995436 [0,0,1,0,0,0|1,0,2]=4 415 B12R1.8 C#CCCNCc1cncnc1 2230a_100011243677_100000688953 [0,0,1,0,0,0|1,0,2]=4 416 B12R1.8 C#CCCNCc1cncnc1 34a_100000755551_100015196519 [0,0,1,0,0,0|1,0,2]=4 417 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [0,0,1,0,0,0|1,0,2]=4 418 B12R1.8 C#CCCSCc1cccnc1 62a_100000688953_100000741622 [0,0,1,0,0,0|1,0,2]=4 419 B12R1.8 C#CCCSCc1cccnc1 62a_100000741622_100000688953 [0,0,1,0,0,0|1,0,2]=4 420 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,0,1,0,0,0|2,0,1]=4 421 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [0,0,1,0,0,0|2,0,1]=4 422 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [0,0,1,0,0,0|2,0,1]=4 423 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,0,1,0,0,0|1,0,2]=4 424 B12R1.8 C/C=C/COCc1cccnc1 34a_100016270725_100000733263 [0,0,1,0,0,0|1,0,2]=4 425 B12R1.8 C/C=C/CSCc1cccnc1 62a_100000741622_100102629194 [0,0,1,0,0,0|1,0,2]=4 426 B12R1.8 C/C=C/CSCc1cccnc1 62a_100102629194_100000741622 [0,0,1,0,0,0|1,0,2]=4 427 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,0,1,0,0,0|2,0,1]=4 428 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,0,1,0,0,0|2,0,1]=4 429 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,0,1,0,0,0|2,0,1]=4 430 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,0,1,0,0,0|2,0,1]=4 431 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,0,1,0,0,0|1,0,2]=4 432 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,0,1,0,0,0|1,0,2]=4 433 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,0,1,0,0,0|1,0,2]=4 434 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,0,1,0,0,0|1,0,2]=4 435 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,0,1,0,0,0|1,0,2]=4 436 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,0,1,0,0,0|0,0,2]=3 437 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,0,1,0,0,0|0,0,2]=3 438 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,0,1,0,0,0|0,0,2]=3 439 B12R1.8 C=CCCNCc1cccnn1 2230a_100015191253_100016990269 [0,0,1,0,0,0|1,0,2]=4 440 B12R1.8 C=CCCNCc1cccnn1 2230a_100159270163_100000754431 [0,0,1,0,0,0|1,0,2]=4 441 B12R1.8 C=CCCNCc1ccnnc1 270004a_100015191253_100011934578 [0,0,1,0,0,0|1,0,2]=4 442 B12R1.8 C=CCCNCc1cnccn1 2230a_100015191253_100016995436 [0,0,1,0,0,0|1,0,2]=4 443 B12R1.8 C=CCCNCc1cnccn1 270004a_100015191253_100000749867 [0,0,1,0,0,0|1,0,2]=4 444 B12R1.8 C=CCCNCc1cncnc1 2230a_100011243677_100000754431 [0,0,1,0,0,0|1,0,2]=4 445 B12R1.8 C=CCCNCc1cncnc1 2230a_100015191253_100015196519 [0,0,1,0,0,0|1,0,2]=4 446 B12R1.8 C=CCCNCc1cncnc1 270004a_100015191253_100000749868 [0,0,1,0,0,0|1,0,2]=4 447 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,0,1,0,0,0|1,0,2]=4 448 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,0,1,0,0,0|1,0,2]=4 449 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,0,1,0,0,0|1,0,2]=4 450 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,0,1,0,0,0|2,0,1]=4 451 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,0,1,0,0,0|2,0,1]=4 452 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,0,1,0,0,0|2,0,1]=4 453 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,0,1,0,0,0|2,0,1]=4 454 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,0,1,0,0,0|2,0,1]=4 455 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,0,1,0,0,0|1,0,2]=4 456 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,0,1,0,0,0|1,0,2]=4 457 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,0,1,0,0,0|1,0,2]=4 458 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,0,1,0,0,0|1,0,2]=4 459 B12R1.8 CC#CCNCc1cccnc1 2230a_100000685387_100000741622 [0,0,1,0,0,0|0,0,2]=3 460 B12R1.8 CC#CCNCc1cccnc1 34a_100000685387_100000733263 [0,0,1,0,0,0|0,0,2]=3 461 B12R1.8 CC#CCNCc1cccnn1 2230a_100000685387_100016990269 [0,0,1,0,0,0|1,0,2]=4 462 B12R1.8 CC#CCNCc1cccnn1 2230a_100159270163_100000748600 [0,0,1,0,0,0|1,0,2]=4 463 B12R1.8 CC#CCNCc1cccnn1 34a_100000685387_100016990269 [0,0,1,0,0,0|1,0,2]=4 464 B12R1.8 CC#CCNCc1cnccn1 2230a_100000685387_100016995436 [0,0,1,0,0,0|1,0,2]=4 465 B12R1.8 CC#CCNCc1cnccn1 34a_100000685387_100016995436 [0,0,1,0,0,0|1,0,2]=4 466 B12R1.8 CC#CCNCc1cncnc1 2230a_100000685387_100015196519 [0,0,1,0,0,0|1,0,2]=4 467 B12R1.8 CC#CCNCc1cncnc1 2230a_100011243677_100000748600 [0,0,1,0,0,0|1,0,2]=4 468 B12R1.8 CC#CCNCc1cncnc1 34a_100000685387_100015196519 [0,0,1,0,0,0|1,0,2]=4 469 B12R1.8 CC#CCOCc1cccnc1 34a_100000761923_100000733263 [0,0,1,0,0,0|1,0,2]=4 470 B12R1.8 CC#CCSCc1cccnc1 62a_100000741622_100000748600 [0,0,1,0,0,0|1,0,2]=4 471 B12R1.8 CC#CCSCc1cccnc1 62a_100000748600_100000741622 [0,0,1,0,0,0|1,0,2]=4 472 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,0,1,0,0,0|1,0,2]=4 473 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,0,1,0,0,0|1,0,2]=4 474 B12R1.8 CC=CCNCc1cccnn1 2230a_100159270163_100000070051 [0,0,1,0,0,0|1,0,2]=4 475 B12R1.8 CC=CCNCc1cncnc1 2230a_100011243677_100000070051 [0,0,1,0,0,0|1,0,2]=4 476 B12R1.8 CC=CCSCc1cccnc1 62a_100000070051_100000741622 [0,0,1,0,0,0|1,0,2]=4 477 B12R1.8 CC=CCSCc1cccnc1 62a_100000741622_100000070051 [0,0,1,0,0,0|1,0,2]=4 478 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,0,1,0,0,0|2,0,1]=4 479 B12R1.8 CCC=NNCc1cccnc1 4a_100000738295_100000210100 [0,0,1,0,0,0|1,0,1]=3 480 B12R1.8 CCCC=NNc1cccnc1 4a_100000728903_100000185831 [0,0,1,0,0,0|1,0,2]=4 481 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,0,1,0,0,0|2,0,1]=4 482 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,0,1,0,0,0|1,0,1]=3 483 B12R1.8 CCCCC=Cc1cccnn1 271570a_100016275911_100016991348 [0,0,1,0,0,0|2,0,1]=4 484 B12R1.8 CCCCC=Cc1ccnnc1 271570a_100016275911_100000732662 [0,0,1,0,0,0|2,0,1]=4 485 B12R1.8 CCCCC=Cc1cnccn1 271570a_100016275911_100000758340 [0,0,1,0,0,0|2,0,1]=4 486 B12R1.8 CCCCC=Cc1cncnc1 271570a_100016275911_100011206942 [0,0,1,0,0,0|2,0,1]=4 487 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,0,1,0,0,0|3,0,0]=4 488 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,0,1,0,0,0|3,0,0]=4 489 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,0,1,0,0,0|3,0,0]=4 490 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,0,1,0,0,0|3,0,0]=4 491 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,0,1,0,0,0|3,0,0]=4 492 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,0,1,0,0,0|2,0,0]=3 493 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,0,1,0,0,0|2,0,0]=3 494 B12R1.8 CCCCCOc1ccnnc1 34a_100015204005_100000718602 [0,0,1,0,0,0|3,0,0]=4 495 B12R1.8 CCCCCOc1cncnc1 7a_100000754086_100000210326 [0,0,1,0,0,0|3,0,0]=4 496 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,0,1,0,0,0|3,0,0]=4 497 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,0,1,0,0,0|3,0,0]=4 498 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,0,1,0,0,0|2,0,0]=3 499 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,0,1,0,0,0|2,0,0]=3 500 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,0,1,0,0,0|3,0,0]=4 501 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,0,1,0,0,0|3,0,0]=4 502 B12R1.8 CCCCCSc1ccnnc1 62a_100000210326_100000732662 [0,0,1,0,0,0|3,0,0]=4 503 B12R1.8 CCCCCSc1ccnnc1 62a_100000732662_100000210326 [0,0,1,0,0,0|3,0,0]=4 504 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,0,1,0,0,0|3,0,0]=4 505 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,0,1,0,0,0|3,0,0]=4 506 B12R1.8 CCCCCSc1cncnc1 62a_100000210326_100011206942 [0,0,1,0,0,0|3,0,0]=4 507 B12R1.8 CCCCCSc1cncnc1 62a_100011206942_100000210326 [0,0,1,0,0,0|3,0,0]=4 508 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,0,1,0,0,0|1,0,0]=2 509 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,0,1,0,0,0|1,0,0]=2 510 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,0,1,0,0,0|1,0,0]=2 511 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,0,1,0,0,0|1,0,0]=2 512 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,0,1,0,0,0|1,0,0]=2 513 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,0,1,0,0,0|1,0,0]=2 514 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,0,1,0,0,0|2,0,0]=3 515 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,0,1,0,0,0|2,0,0]=3 516 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,0,1,0,0,0|2,0,0]=3 517 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,0,1,0,0,0|2,0,0]=3 518 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,0,1,0,0,0|0,0,0]=1 519 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,0,1,0,0,0|0,0,0]=1 520 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,0,1,0,0,0|0,0,0]=1 521 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,0,1,0,0,0|0,0,0]=1 522 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,0,1,0,0,0|1,0,0]=2 523 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,0,1,0,0,0|1,0,0]=2 524 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,0,1,0,0,0|1,0,0]=2 525 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,0,1,0,0,0|2,0,0]=3 526 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,0,1,0,0,0|2,0,0]=3 527 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,0,1,0,0,0|2,0,0]=3 528 B12R1.8 CCCCNCc1ccnnc1 270004a_100000102301_100011934578 [0,0,1,0,0,0|1,0,0]=2 529 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,0,1,0,0,0|1,0,0]=2 530 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,0,1,0,0,0|1,0,0]=2 531 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,0,1,0,0,0|1,0,0]=2 532 B12R1.8 CCCCNCc1cncnc1 2230a_100000102301_100015196519 [0,0,1,0,0,0|1,0,0]=2 533 B12R1.8 CCCCNCc1cncnc1 2230a_100011243677_100000210211 [0,0,1,0,0,0|1,0,0]=2 534 B12R1.8 CCCCNCc1cncnc1 270004a_100000102301_100000749868 [0,0,1,0,0,0|1,0,0]=2 535 B12R1.8 CCCCNCc1cncnc1 7a_106832991798_100015196519 [0,0,1,0,0,0|1,0,0]=2 536 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,0,1,0,0,0|3,0,0]=4 537 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,0,1,0,0,0|3,0,0]=4 538 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,0,1,0,0,0|3,0,0]=4 539 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,0,1,0,0,0|2,0,0]=3 540 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,0,1,0,0,0|2,0,0]=3 541 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,0,1,0,0,0|2,0,0]=3 542 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,0,1,0,0,0|2,0,0]=3 543 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,0,1,0,0,0|3,0,0]=4 544 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,0,1,0,0,0|3,0,0]=4 545 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,0,1,0,0,0|1,0,0]=2 546 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,0,1,0,0,0|1,0,0]=2 547 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,0,1,0,0,0|2,0,0]=3 548 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,0,1,0,0,0|2,0,0]=3 549 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,0,1,0,0,0|3,0,0]=4 550 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,0,1,0,0,0|2,0,0]=3 551 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,0,1,0,0,0|2,0,0]=3 552 B12R1.8 CCCCOCc1cncnc1 34a_100000210227_100015196519 [0,0,1,0,0,0|2,0,0]=3 553 B12R1.8 CCCCOCc1cncnc1 7a_100000210227_100015196519 [0,0,1,0,0,0|2,0,0]=3 554 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,0,1,0,0,0|2,0,0]=3 555 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,0,1,0,0,0|2,0,0]=3 556 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,0,1,0,0,0|3,0,0]=4 557 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,0,1,0,0,0|3,0,0]=4 558 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,0,1,0,0,0|1,0,0]=2 559 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,0,1,0,0,0|1,0,0]=2 560 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,0,1,0,0,0|2,0,0]=3 561 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,0,1,0,0,0|2,0,0]=3 562 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,0,1,0,0,0|3,0,0]=4 563 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,0,1,0,0,0|3,0,0]=4 564 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,0,1,0,0,0|2,0,0]=3 565 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,0,1,0,0,0|2,0,0]=3 566 B12R1.8 CCCCSCc1cncnc1 62a_100000210211_100015196519 [0,0,1,0,0,0|2,0,0]=3 567 B12R1.8 CCCCSCc1cncnc1 62a_100015196519_100000210210 [0,0,1,0,0,0|2,0,0]=3 568 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,0,1,0,0,0|3,0,0]=4 569 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,0,1,0,0,0|3,0,0]=4 570 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,0,1,0,0,0|2,0,0]=3 571 B12R1.8 CCCNN=Cc1cccnc1 4a_100000740057_100000209961 [0,0,1,0,0,0|1,0,2]=4 572 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,0,1,0,0,0|3,0,0]=4 573 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,0,1,0,0,0|3,0,0]=4 574 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,0,1,0,0,0|3,0,0]=4 575 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,0,1,0,0,0|2,0,0]=3 576 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,0,1,0,0,0|3,0,0]=4 577 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,0,1,0,0,0|3,0,0]=4 578 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,0,1,0,0,0|3,0,0]=4 579 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,0,1,0,0,0|3,0,0]=4 580 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,0,1,0,0,0|2,0,0]=3 581 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,0,1,0,0,0|2,0,0]=3 582 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,0,1,0,0,0|3,0,0]=4 583 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,0,1,0,0,0|3,0,0]=4 584 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,0,1,0,0,0|3,0,0]=4 585 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,0,1,0,0,0|2,0,0]=3 586 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,0,1,0,0,0|2,0,0]=3 587 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,0,1,0,0,0|3,0,0]=4 588 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,0,1,0,0,0|3,0,0]=4 589 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,0,1,0,0,0|3,0,0]=4 590 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [0,0,1,0,0,0|2,0,1]=4 591 B12R1.8 CCOCC#Cc1cccnc1 34a_100011376247_100000210202 [0,0,1,0,0,0|2,0,1]=4 592 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,0,1,0,0,0|3,0,0]=4 593 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,0,1,0,0,0|3,0,0]=4 594 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,0,1,0,0,0|3,0,0]=4 595 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,0,1,0,0,0|2,0,0]=3 596 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,0,1,0,0,0|3,0,0]=4 597 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,0,1,0,0,0|3,0,0]=4 598 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,0,1,0,0,0|3,0,0]=4 599 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,0,1,0,0,0|3,0,0]=4 600 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,0,1,0,0,0|3,0,0]=4 601 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,0,1,0,0,0|3,0,0]=4 602 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,0,1,0,0,0|3,0,0]=4 603 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,0,1,0,0,0|3,0,0]=4 604 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,0,1,0,0,0|2,0,0]=3 605 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,0,1,0,0,0|2,0,0]=3 606 B12R1.8 CCOCSCc1cccnn1 62a_100000739092_100016990269 [0,0,1,0,0,0|3,0,0]=4 607 B12R1.8 CCOCSCc1cccnn1 62a_100016990269_100000739092 [0,0,1,0,0,0|3,0,0]=4 608 B12R1.8 CCOCSCc1cnccn1 62a_100000739092_100016995436 [0,0,1,0,0,0|3,0,0]=4 609 B12R1.8 CCOCSCc1cnccn1 62a_100016995436_100000739092 [0,0,1,0,0,0|3,0,0]=4 610 B12R1.8 CCOCSCc1cncnc1 62a_100000739092_100015196519 [0,0,1,0,0,0|3,0,0]=4 611 B12R1.8 CCOCSCc1cncnc1 62a_100015196519_100000739092 [0,0,1,0,0,0|3,0,0]=4 612 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,0,1,0,0,0|3,0,0]=4 613 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,0,1,0,0,0|3,0,0]=4 614 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,0,1,0,0,0|3,0,0]=4 615 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,0,1,0,0,0|3,0,0]=4 616 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,0,1,0,0,0|3,0,0]=4 617 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,0,1,0,0,0|3,0,0]=4 618 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,0,1,0,0,0|3,0,0]=4 619 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,0,1,0,0,0|3,0,0]=4 620 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,0,1,0,0,0|3,0,0]=4 621 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,0,1,0,0,0|3,0,0]=4 622 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,0,1,0,0,0|3,0,0]=4 623 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,0,1,0,0,0|3,0,0]=4 624 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,0,1,0,0,0|3,0,0]=4 625 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,0,1,0,0,0|3,0,0]=4 626 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,0,1,0,0,0|3,0,0]=4 627 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,0,1,0,0,0|3,0,0]=4 628 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,0,1,0,0,0|3,0,0]=4 629 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,0,1,0,0,0|3,0,0]=4 630 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,0,1,0,0,0|3,0,0]=4 631 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,0,1,0,0,0|3,0,0]=4 632 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,0,1,0,0,0|3,0,0]=4 633 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,0,1,0,0,0|3,0,0]=4 634 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,0,1,0,0,0|3,0,0]=4 635 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,0,1,0,0,0|3,0,0]=4 636 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,0,1,0,0,0|3,0,0]=4 637 B12R1.8 COCCC#Cc1cccnc1 34a_200011376248_200000210301 [0,0,1,0,0,0|2,0,1]=4 638 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,0,1,0,0,0|3,0,0]=4 639 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,0,1,0,0,0|3,0,0]=4 640 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,0,1,0,0,0|3,0,0]=4 641 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,0,1,0,0,0|2,0,0]=3 642 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,0,1,0,0,0|2,0,0]=3 643 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,0,1,0,0,0|3,0,0]=4 644 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,0,1,0,0,0|3,0,0]=4 645 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,0,1,0,0,0|3,0,0]=4 646 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,0,1,0,0,0|3,0,0]=4 647 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,0,1,0,0,0|2,0,0]=3 648 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,0,1,0,0,0|2,0,0]=3 649 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,0,1,0,0,0|2,0,0]=3 650 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,0,1,0,0,0|2,0,0]=3 651 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,0,1,0,0,0|2,0,0]=3 652 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,0,1,0,0,0|2,0,0]=3 653 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,0,1,0,0,0|3,0,0]=4 654 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,0,1,0,0,0|3,0,0]=4 655 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,0,1,0,0,0|3,0,0]=4 656 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,0,1,0,0,0|1,0,0]=2 657 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,0,1,0,0,0|1,0,0]=2 658 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,0,1,0,0,0|1,0,0]=2 659 B12R1.8 COCCNCc1cccnn1 2230a_100000209980_100016990269 [0,0,1,0,0,0|2,0,0]=3 660 B12R1.8 COCCNCc1cccnn1 2230a_100159270163_100011201679 [0,0,1,0,0,0|2,0,0]=3 661 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,0,1,0,0,0|3,0,0]=4 662 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,0,1,0,0,0|3,0,0]=4 663 B12R1.8 COCCNCc1ccnnc1 270004a_100000209980_100011934578 [0,0,1,0,0,0|2,0,0]=3 664 B12R1.8 COCCNCc1cnccn1 2230a_100000209980_100016995436 [0,0,1,0,0,0|2,0,0]=3 665 B12R1.8 COCCNCc1cnccn1 270004a_100000209980_100000749867 [0,0,1,0,0,0|2,0,0]=3 666 B12R1.8 COCCNCc1cncnc1 2230a_100000209980_100015196519 [0,0,1,0,0,0|2,0,0]=3 667 B12R1.8 COCCNCc1cncnc1 2230a_100011243677_100011201679 [0,0,1,0,0,0|2,0,0]=3 668 B12R1.8 COCCNCc1cncnc1 270004a_100000209980_100000749868 [0,0,1,0,0,0|2,0,0]=3 669 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,0,1,0,0,0|3,0,0]=4 670 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,0,1,0,0,0|3,0,0]=4 671 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,0,1,0,0,0|3,0,0]=4 672 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,0,1,0,0,0|3,0,0]=4 673 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,0,1,0,0,0|3,0,0]=4 674 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,0,1,0,0,0|3,0,0]=4 675 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,0,1,0,0,0|2,0,0]=3 676 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,0,1,0,0,0|3,0,0]=4 677 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,0,1,0,0,0|3,0,0]=4 678 B12R1.8 COCCOCc1cncnc1 34a_100000210237_100015196519 [0,0,1,0,0,0|3,0,0]=4 679 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,0,1,0,0,0|3,0,0]=4 680 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,0,1,0,0,0|3,0,0]=4 681 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,0,1,0,0,0|3,0,0]=4 682 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,0,1,0,0,0|3,0,0]=4 683 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,0,1,0,0,0|3,0,0]=4 684 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,0,1,0,0,0|2,0,0]=3 685 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,0,1,0,0,0|2,0,0]=3 686 B12R1.8 COCCSCc1cccnn1 62a_100000233755_100016990269 [0,0,1,0,0,0|3,0,0]=4 687 B12R1.8 COCCSCc1cccnn1 62a_100016990269_100000233755 [0,0,1,0,0,0|3,0,0]=4 688 B12R1.8 COCCSCc1cnccn1 62a_100000233755_100016995436 [0,0,1,0,0,0|3,0,0]=4 689 B12R1.8 COCCSCc1cnccn1 62a_100016995436_100000233755 [0,0,1,0,0,0|3,0,0]=4 690 B12R1.8 COCCSCc1cncnc1 62a_100000233755_100015196519 [0,0,1,0,0,0|3,0,0]=4 691 B12R1.8 COCCSCc1cncnc1 62a_100015196519_100000233755 [0,0,1,0,0,0|3,0,0]=4 692 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,0,1,0,0,0|3,0,0]=4 693 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,0,1,0,0,0|3,0,0]=4 694 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,0,1,0,0,0|3,0,0]=4 695 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,0,1,0,0,0|3,0,0]=4 696 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,0,1,0,0,0|3,0,0]=4 697 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,0,1,0,0,0|2,0,0]=3 698 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,0,1,0,0,0|2,0,0]=3 699 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,0,1,0,0,0|2,0,0]=3 700 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,0,1,0,0,0|2,0,0]=3 701 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,0,1,0,0,0|2,0,0]=3 702 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,0,1,0,0,0|3,0,0]=4 703 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,0,1,0,0,0|3,0,0]=4 704 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,0,1,0,0,0|3,0,0]=4 705 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,0,1,0,0,0|1,0,0]=2 706 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,0,1,0,0,0|1,0,0]=2 707 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,0,1,0,0,0|1,0,0]=2 708 B12R1.8 CSCCNCc1cccnn1 2230a_100020590264_100016990269 [0,0,1,0,0,0|2,0,0]=3 709 B12R1.8 CSCCNCc1cccnn1 2230a_100159270163_100000751147 [0,0,1,0,0,0|2,0,0]=3 710 B12R1.8 CSCCNCc1ccncc1 207a_100020590264_100000186114 [0,0,1,0,0,0|3,0,0]=4 711 B12R1.8 CSCCNCc1ccncc1 2230a_100020590264_100015193705 [0,0,1,0,0,0|3,0,0]=4 712 B12R1.8 CSCCNCc1ccnnc1 270004a_100020590264_100011934578 [0,0,1,0,0,0|2,0,0]=3 713 B12R1.8 CSCCNCc1cnccn1 2230a_100020590264_100016995436 [0,0,1,0,0,0|2,0,0]=3 714 B12R1.8 CSCCNCc1cnccn1 270004a_100020590264_100000749867 [0,0,1,0,0,0|2,0,0]=3 715 B12R1.8 CSCCNCc1cncnc1 2230a_100011243677_100000751147 [0,0,1,0,0,0|2,0,0]=3 716 B12R1.8 CSCCNCc1cncnc1 2230a_100020590264_100015196519 [0,0,1,0,0,0|2,0,0]=3 717 B12R1.8 CSCCNCc1cncnc1 270004a_100020590264_100000749868 [0,0,1,0,0,0|2,0,0]=3 718 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,0,1,0,0,0|3,0,0]=4 719 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,0,1,0,0,0|3,0,0]=4 720 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,0,1,0,0,0|3,0,0]=4 721 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,0,1,0,0,0|3,0,0]=4 722 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,0,1,0,0,0|3,0,0]=4 723 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,0,1,0,0,0|3,0,0]=4 724 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,0,1,0,0,0|2,0,0]=3 725 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,0,1,0,0,0|2,0,0]=3 726 B12R1.8 CSCCOCc1cccnn1 34a_100000230434_100016990269 [0,0,1,0,0,0|3,0,0]=4 727 B12R1.8 CSCCOCc1cccnn1 7a_100000230434_100016990269 [0,0,1,0,0,0|3,0,0]=4 728 B12R1.8 CSCCOCc1cnccn1 34a_100000230434_100016995436 [0,0,1,0,0,0|3,0,0]=4 729 B12R1.8 CSCCOCc1cnccn1 7a_100000230434_100016995436 [0,0,1,0,0,0|3,0,0]=4 730 B12R1.8 CSCCOCc1cncnc1 34a_100000230434_100015196519 [0,0,1,0,0,0|3,0,0]=4 731 B12R1.8 CSCCOCc1cncnc1 7a_100000230434_100015196519 [0,0,1,0,0,0|3,0,0]=4 732 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,0,1,0,0,0|3,0,0]=4 733 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,0,1,0,0,0|3,0,0]=4 734 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,0,1,0,0,0|3,0,0]=4 735 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,0,1,0,0,0|3,0,0]=4 736 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,0,1,0,0,0|2,0,0]=3 737 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,0,1,0,0,0|2,0,0]=3 738 B12R1.8 CSCCSCc1cccnn1 62a_100000212216_100016990269 [0,0,1,0,0,0|3,0,0]=4 739 B12R1.8 CSCCSCc1cccnn1 62a_100016990269_100000751147 [0,0,1,0,0,0|3,0,0]=4 740 B12R1.8 CSCCSCc1cnccn1 62a_100000212216_100016995436 [0,0,1,0,0,0|3,0,0]=4 741 B12R1.8 CSCCSCc1cnccn1 62a_100016995436_100000751147 [0,0,1,0,0,0|3,0,0]=4 742 B12R1.8 CSCCSCc1cncnc1 62a_100000212216_100015196519 [0,0,1,0,0,0|3,0,0]=4 743 B12R1.8 CSCCSCc1cncnc1 62a_100015196519_100000751147 [0,0,1,0,0,0|3,0,0]=4 744 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,0,1,0,0,0|3,0,0]=4 745 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,0,1,0,0,0|3,0,0]=4 746 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,0,1,0,0,0|3,0,0]=4 747 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,0,1,0,0,0|3,0,0]=4 748 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,0,1,0,0,0|3,0,0]=4 749 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,0,1,0,0,0|2,0,0]=3 750 B12R1.8 ClCCCOCc1cccnn1 34a_100000230001_100016990269 [0,0,1,0,0,0|3,0,0]=4 751 B12R1.8 ClCCCOCc1cnccn1 34a_100000230001_100016995436 [0,0,1,0,0,0|3,0,0]=4 752 B12R1.8 ClCCCOCc1cncnc1 34a_100000230001_100015196519 [0,0,1,0,0,0|3,0,0]=4 753 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,0,1,0,0,0|3,0,0]=4 754 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,0,1,0,0,0|3,0,0]=4 755 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,0,1,0,0,0|3,0,0]=4 756 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,0,1,0,0,0|2,0,0]=3 757 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,0,1,0,0,0|2,0,0]=3 758 B12R1.8 FCCCCOc1ccnnc1 34a_100015204005_100000729493 [0,0,1,0,0,0|3,0,0]=4 759 B12R1.8 FCCCCOc1cncnc1 7a_100000754086_100000729493 [0,0,1,0,0,0|3,0,0]=4 760 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,0,1,0,0,0|3,0,0]=4 761 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,0,1,0,0,0|3,0,0]=4 762 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,0,1,0,0,0|2,0,0]=3 763 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,0,1,0,0,0|2,0,0]=3 764 B12R1.8 FCCCCSc1cccnn1 62a_100000729493_100016991348 [0,0,1,0,0,0|3,0,0]=4 765 B12R1.8 FCCCCSc1cccnn1 62a_100016991348_100000729493 [0,0,1,0,0,0|3,0,0]=4 766 B12R1.8 FCCCCSc1ccnnc1 62a_100000729493_100000732662 [0,0,1,0,0,0|3,0,0]=4 767 B12R1.8 FCCCCSc1ccnnc1 62a_100000732662_100000729493 [0,0,1,0,0,0|3,0,0]=4 768 B12R1.8 FCCCCSc1cnccn1 62a_100000211759_100000729493 [0,0,1,0,0,0|3,0,0]=4 769 B12R1.8 FCCCCSc1cnccn1 62a_100000729493_100000211759 [0,0,1,0,0,0|3,0,0]=4 770 B12R1.8 FCCCCSc1cncnc1 62a_100000729493_100011206942 [0,0,1,0,0,0|3,0,0]=4 771 B12R1.8 FCCCCSc1cncnc1 62a_100011206942_100000729493 [0,0,1,0,0,0|3,0,0]=4 772 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,0,1,0,0,0|2,0,0]=3 773 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,0,1,0,0,0|2,0,0]=3 774 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,0,1,0,0,0|2,0,0]=3 775 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,0,1,0,0,0|2,0,0]=3 776 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,0,1,0,0,0|2,0,0]=3 777 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,0,1,0,0,0|2,0,0]=3 778 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,0,1,0,0,0|3,0,0]=4 779 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,0,1,0,0,0|3,0,0]=4 780 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,0,1,0,0,0|3,0,0]=4 781 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,0,1,0,0,0|3,0,0]=4 782 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,0,1,0,0,0|1,0,0]=2 783 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,0,1,0,0,0|1,0,0]=2 784 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,0,1,0,0,0|1,0,0]=2 785 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,0,1,0,0,0|1,0,0]=2 786 B12R1.8 FCCCNCc1cccnn1 2230a_100015189416_100016990269 [0,0,1,0,0,0|2,0,0]=3 787 B12R1.8 FCCCNCc1cccnn1 2230a_100159270163_100011934791 [0,0,1,0,0,0|2,0,0]=3 788 B12R1.8 FCCCNCc1cccnn1 34a_100015189416_100016990269 [0,0,1,0,0,0|2,0,0]=3 789 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [0,0,1,0,0,0|3,0,0]=4 790 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [0,0,1,0,0,0|3,0,0]=4 791 B12R1.8 FCCCNCc1ccnnc1 270004a_100015189416_100011934578 [0,0,1,0,0,0|2,0,0]=3 792 B12R1.8 FCCCNCc1cnccn1 2230a_100015189416_100016995436 [0,0,1,0,0,0|2,0,0]=3 793 B12R1.8 FCCCNCc1cnccn1 270004a_100015189416_100000749867 [0,0,1,0,0,0|2,0,0]=3 794 B12R1.8 FCCCNCc1cnccn1 34a_100015189416_100016995436 [0,0,1,0,0,0|2,0,0]=3 795 B12R1.8 FCCCNCc1cncnc1 2230a_100011243677_100011934791 [0,0,1,0,0,0|2,0,0]=3 796 B12R1.8 FCCCNCc1cncnc1 2230a_100015189416_100015196519 [0,0,1,0,0,0|2,0,0]=3 797 B12R1.8 FCCCNCc1cncnc1 270004a_100015189416_100000749868 [0,0,1,0,0,0|2,0,0]=3 798 B12R1.8 FCCCNCc1cncnc1 34a_100015189416_100015196519 [0,0,1,0,0,0|2,0,0]=3 799 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,0,1,0,0,0|3,0,0]=4 800 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,0,1,0,0,0|3,0,0]=4 801 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,0,1,0,0,0|3,0,0]=4 802 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,0,1,0,0,0|2,0,0]=3 803 B12R1.8 FCCCOCc1cccnn1 34a_100000759539_100016990269 [0,0,1,0,0,0|3,0,0]=4 804 B12R1.8 FCCCOCc1cnccn1 34a_100000759539_100016995436 [0,0,1,0,0,0|3,0,0]=4 805 B12R1.8 FCCCOCc1cncnc1 34a_100000759539_100015196519 [0,0,1,0,0,0|3,0,0]=4 806 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,0,1,0,0,0|3,0,0]=4 807 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,0,1,0,0,0|3,0,0]=4 808 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,0,1,0,0,0|2,0,0]=3 809 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,0,1,0,0,0|2,0,0]=3 810 B12R1.8 FCCCSCc1cccnn1 62a_100011934791_100016990269 [0,0,1,0,0,0|3,0,0]=4 811 B12R1.8 FCCCSCc1cccnn1 62a_100016990269_100011934791 [0,0,1,0,0,0|3,0,0]=4 812 B12R1.8 FCCCSCc1cnccn1 62a_100011934791_100016995436 [0,0,1,0,0,0|3,0,0]=4 813 B12R1.8 FCCCSCc1cnccn1 62a_100016995436_100011934791 [0,0,1,0,0,0|3,0,0]=4 814 B12R1.8 FCCCSCc1cncnc1 62a_100011934791_100015196519 [0,0,1,0,0,0|3,0,0]=4 815 B12R1.8 FCCCSCc1cncnc1 62a_100015196519_100011934791 [0,0,1,0,0,0|3,0,0]=4 816 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,0,1,0,0,0|3,0,0]=4 817 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,0,1,0,0,0|3,0,0]=4 818 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,0,1,0,0,0|3,0,0]=4 819 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,0,1,0,0,0|2,0,0]=3 820 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,0,1,0,0,0|3,0,0]=4 821 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,0,1,0,0,0|3,0,0]=4 822 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,0,1,0,0,0|2,0,0]=3 823 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,0,1,0,0,0|3,0,0]=4 824 B12R1.8 FCCOCCc1cncnc1 34a_100011709255_100011217306 [0,0,1,0,0,0|3,0,0]=4 825 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,0,1,0,0,0|3,0,0]=4 826 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,0,1,0,0,0|3,0,0]=4 827 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,0,1,0,0,0|2,0,0]=3 828 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,0,1,0,0,0|2,0,0]=3 829 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,0,1,0,0,0|3,0,0]=4 830 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,0,1,0,0,0|2,0,0]=3 831 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,0,1,0,0,0|3,0,0]=4 832 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,0,1,0,0,0|3,0,0]=4 833 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,0,1,0,0,0|2,0,0]=3 834 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,0,1,0,0,0|3,0,0]=4 835 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,0,1,0,0,0|3,0,0]=4 836 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [0,0,1,0,0,0|1,0,2]=4 837 B12R1.8 N#CCCCSc1cccnc1 62a_100000210063_100000687738 [0,0,1,0,0,0|1,0,2]=4 838 B12R1.8 N#CCCCSc1cccnc1 62a_100000687738_100000210063 [0,0,1,0,0,0|1,0,2]=4 839 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,0,1,0,0,0|2,0,1]=4 840 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,0,1,0,0,0|2,0,1]=4 841 B12R1.8 N#CCCNCc1cccnc1 270004a_100000720768_100000209961 [0,0,1,0,0,0|1,0,1]=3 842 B12R1.8 N#CCCNCc1cccnn1 2230a_100159270163_100011215226 [0,0,1,0,0,0|2,0,1]=4 843 B12R1.8 N#CCCNCc1ccnnc1 270004a_100000720768_100011934578 [0,0,1,0,0,0|2,0,1]=4 844 B12R1.8 N#CCCNCc1cnccn1 270004a_100000720768_100000749867 [0,0,1,0,0,0|2,0,1]=4 845 B12R1.8 N#CCCNCc1cncnc1 2230a_100011243677_100011215226 [0,0,1,0,0,0|2,0,1]=4 846 B12R1.8 N#CCCNCc1cncnc1 270004a_100000720768_100000749868 [0,0,1,0,0,0|2,0,1]=4 847 B12R1.8 N#CCCSCc1cccnc1 62a_100000741622_100011215226 [0,0,1,0,0,0|1,0,2]=4 848 B12R1.8 N#CCCSCc1cccnc1 62a_100011215226_100000741622 [0,0,1,0,0,0|1,0,2]=4 849 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,0,1,0,0,0|1,0,2]=4 850 B12R1.8 N#CCSCCc1cccnc1 62a_100011215382_200011713674 [0,0,1,0,0,0|1,0,2]=4 851 B12R1.8 N#CCSCCc1cccnc1 62a_200011713674_100011215382 [0,0,1,0,0,0|1,0,2]=4 852 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,0,1,0,0,0|2,0,0]=3 853 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,0,1,0,0,0|3,0,0]=4 854 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,0,1,0,0,0|1,0,0]=2 855 B12R1.8 NCCCOCc1cccnn1 34a_100000182051_100016990269 [0,0,1,0,0,0|2,0,0]=3 856 B12R1.8 NCCCOCc1cnccn1 34a_100000182051_100016995436 [0,0,1,0,0,0|2,0,0]=3 857 B12R1.8 NCCCOCc1cncnc1 34a_100000182051_100015196519 [0,0,1,0,0,0|2,0,0]=3 858 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,0,1,0,0,0|2,0,0]=3 859 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,0,1,0,0,0|3,0,0]=4 860 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,0,1,0,0,0|2,0,0]=3 861 B12R1.8 NOCCOCc1cccnn1 34a_100000700252_100016990269 [0,0,1,0,0,0|3,0,0]=4 862 B12R1.8 NOCCOCc1cnccn1 34a_100000700252_100016995436 [0,0,1,0,0,0|3,0,0]=4 863 B12R1.8 NOCCOCc1cncnc1 34a_100000700252_100015196519 [0,0,1,0,0,0|3,0,0]=4 864 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,0,1,0,0,0|2,0,1]=4 865 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,0,1,0,0,0|2,0,1]=4 866 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,0,1,0,0,0|2,0,1]=4 867 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,0,1,0,0,0|2,0,1]=4 868 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,0,1,0,0,0|2,0,1]=4 869 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [0,0,1,0,0,0|2,0,1]=4 870 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [0,0,1,0,0,0|2,0,1]=4 871 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,0,1,0,0,0|3,0,0]=4 872 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,0,1,0,0,0|3,0,0]=4 873 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,0,1,0,0,0|3,0,0]=4 874 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,0,1,0,0,0|3,0,0]=4 875 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,0,1,0,0,0|3,0,0]=4 876 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,0,1,0,0,0|2,0,0]=3 877 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,0,1,0,0,0|2,0,0]=3 878 B12R1.8 OCCCCOc1ccnnc1 34a_100015204005_100011216708 [0,0,1,0,0,0|3,0,0]=4 879 B12R1.8 OCCCCOc1cncnc1 7a_100000754086_100000210776 [0,0,1,0,0,0|3,0,0]=4 880 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,0,1,0,0,0|3,0,0]=4 881 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,0,1,0,0,0|3,0,0]=4 882 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,0,1,0,0,0|2,0,0]=3 883 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,0,1,0,0,0|2,0,0]=3 884 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,0,1,0,0,0|3,0,0]=4 885 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,0,1,0,0,0|3,0,0]=4 886 B12R1.8 OCCCCSc1ccnnc1 62a_100000210776_100000732662 [0,0,1,0,0,0|3,0,0]=4 887 B12R1.8 OCCCCSc1ccnnc1 62a_100000732662_100000210776 [0,0,1,0,0,0|3,0,0]=4 888 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,0,1,0,0,0|3,0,0]=4 889 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,0,1,0,0,0|3,0,0]=4 890 B12R1.8 OCCCCSc1cncnc1 62a_100000210776_100011206942 [0,0,1,0,0,0|3,0,0]=4 891 B12R1.8 OCCCCSc1cncnc1 62a_100011206942_100000210776 [0,0,1,0,0,0|3,0,0]=4 892 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,0,1,0,0,0|2,0,0]=3 893 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,0,1,0,0,0|2,0,0]=3 894 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,0,1,0,0,0|2,0,0]=3 895 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,0,1,0,0,0|2,0,0]=3 896 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,0,1,0,0,0|3,0,0]=4 897 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,0,1,0,0,0|3,0,0]=4 898 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,0,1,0,0,0|1,0,0]=2 899 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,0,1,0,0,0|1,0,0]=2 900 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,0,1,0,0,0|2,0,0]=3 901 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,0,1,0,0,0|3,0,0]=4 902 B12R1.8 OCCCNCc1ccnnc1 270004a_100000182051_100011934578 [0,0,1,0,0,0|2,0,0]=3 903 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,0,1,0,0,0|2,0,0]=3 904 B12R1.8 OCCCNCc1cncnc1 2230a_100011243677_100000230001 [0,0,1,0,0,0|2,0,0]=3 905 B12R1.8 OCCCNCc1cncnc1 270004a_100000182051_100000749868 [0,0,1,0,0,0|2,0,0]=3 906 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,0,1,0,0,0|3,0,0]=4 907 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,0,1,0,0,0|3,0,0]=4 908 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,0,1,0,0,0|3,0,0]=4 909 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,0,1,0,0,0|3,0,0]=4 910 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,0,1,0,0,0|2,0,0]=3 911 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,0,1,0,0,0|2,0,0]=3 912 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,0,1,0,0,0|3,0,0]=4 913 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,0,1,0,0,0|3,0,0]=4 914 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,0,1,0,0,0|3,0,0]=4 915 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,0,1,0,0,0|3,0,0]=4 916 B12R1.8 OCCCSCc1cncnc1 62a_100011215043_100015196519 [0,0,1,0,0,0|3,0,0]=4 917 B12R1.8 OCCCSCc1cncnc1 62a_100015196519_100011215043 [0,0,1,0,0,0|3,0,0]=4 918 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,0,1,0,0,0|3,0,0]=4 919 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,0,1,0,0,0|3,0,0]=4 920 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,0,1,0,0,0|3,0,0]=4 921 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,0,1,0,0,0|3,0,0]=4 922 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,0,1,0,0,0|2,0,0]=3 923 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,0,1,0,0,0|2,0,0]=3 924 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,0,1,0,0,0|3,0,0]=4 925 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,0,1,0,0,0|3,0,0]=4 926 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,0,1,0,0,0|2,0,0]=3 927 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,0,1,0,0,0|3,0,0]=4 928 B12R1.8 OCCOCCc1cncnc1 34a_100011709255_100000211926 [0,0,1,0,0,0|3,0,0]=4 929 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,0,1,0,0,0|3,0,0]=4 930 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,0,1,0,0,0|3,0,0]=4 931 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,0,1,0,0,0|2,0,0]=3 932 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,0,1,0,0,0|2,0,0]=3 933 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,0,1,0,0,0|3,0,0]=4 934 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,0,1,0,0,0|3,0,0]=4 935 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,0,1,0,0,0|3,0,0]=4 936 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,0,1,0,0,0|3,0,0]=4 937 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,0,1,0,0,0|3,0,0]=4 938 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,0,1,0,0,0|3,0,0]=4 939 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,0,1,0,0,0|3,0,0]=4 940 B12R1.8 [13CH3]OCCC#Cc1cccnc1 34a_200011376248_200025704644 [0,0,1,0,0,0|2,0,1]=4 941 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,0,1,0,0,0|3,0,0]=4 942 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,0,1,0,0,0|3,0,0]=4 943 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,0,1,0,0,0|2,0,0]=3 944 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,0,1,0,0,0|2,0,0]=3 945 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,0,1,0,0,0|2,0,0]=3 946 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,0,1,0,0,0|3,0,0]=4 947 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,0,1,0,0,0|3,0,0]=4 948 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,0,1,0,0,0|3,0,0]=4 949 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,0,1,0,0,0|3,0,0]=4 950 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,0,1,0,0,0|3,0,0]=4 951 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,0,1,0,0,0|3,0,0]=4 952 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,0,1,0,0,0|3,0,0]=4 953 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,0,1,0,0,0|3,0,0]=4 954 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,0,1,0,0,0|3,0,0]=4 955 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,0,1,0,0,0|3,0,0]=4 956 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,0,1,0,0,0|1,0,2]=4 957 B12R1.30 C#CCNC(C)c1cccnc1 2230a_100000195435_100000038162 [0,0,1,0,0,0|0,0,2]=3 958 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,0,1,0,0,0|1,0,2]=4 959 B12R1.30 C#CCN[C@H](C)c1cnccn1 2230a_100020589798_100000038162 [0,0,1,0,0,0|1,0,2]=4 960 B12R1.30 C=CC=CC(=O)C1CCCCC1 1458a_100016291481_100000210327 [0,0,1,0,0,0|3,0,0]=4 961 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,0,1,0,0,0|1,0,2]=4 962 B12R1.30 C=CCNC(C)c1cccnc1 2230a_100000195435_100000210623 [0,0,1,0,0,0|0,0,2]=3 963 B12R1.30 C=CCNC(C)c1cnccn1 2230a_100020586998_200000703233 [0,0,1,0,0,0|1,0,2]=4 964 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,0,1,0,0,0|1,0,2]=4 965 B12R1.30 C=CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210623 [0,0,1,0,0,0|1,0,2]=4 966 B12R1.30 CC(NCC#N)c1cccnc1 2230a_100000195435_100011215382 [0,0,1,0,0,0|1,0,1]=3 967 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [0,0,1,0,0,0|1,0,1]=3 968 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,0,1,0,0,0|2,0,0]=3 969 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,0,1,0,0,0|2,0,0]=3 970 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,0,1,0,0,0|3,0,0]=4 971 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,0,1,0,0,0|3,0,0]=4 972 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [0,0,1,0,0,0|1,0,0]=2 973 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [0,0,1,0,0,0|1,0,0]=2 974 B12R1.30 CC(NCCF)c1cccnn1 269862a_100000724931_100009866853 [0,0,1,0,0,0|2,0,0]=3 975 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [0,0,1,0,0,0|3,0,0]=4 976 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [0,0,1,0,0,0|3,0,0]=4 977 B12R1.30 CC(NCCF)c1ccnnc1 269862a_100000724931_100012182992 [0,0,1,0,0,0|2,0,0]=3 978 B12R1.30 CC(NCCF)c1cnccn1 269862a_100000724931_100000751083 [0,0,1,0,0,0|2,0,0]=3 979 B12R1.30 CC(NCCF)c1cncnc1 269862a_100000724931_100000757475 [0,0,1,0,0,0|2,0,0]=3 980 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,0,1,0,0,0|2,0,0]=3 981 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,0,1,0,0,0|2,0,0]=3 982 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,0,1,0,0,0|2,0,0]=3 983 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,0,1,0,0,0|3,0,0]=4 984 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,0,1,0,0,0|3,0,0]=4 985 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [0,0,1,0,0,0|1,0,0]=2 986 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [0,0,1,0,0,0|1,0,0]=2 987 B12R1.30 CC(NCCO)c1cccnn1 269862a_100000210304_100009866853 [0,0,1,0,0,0|2,0,0]=3 988 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [0,0,1,0,0,0|3,0,0]=4 989 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [0,0,1,0,0,0|3,0,0]=4 990 B12R1.30 CC(NCCO)c1ccnnc1 269862a_100000210304_100012182992 [0,0,1,0,0,0|2,0,0]=3 991 B12R1.30 CC(NCCO)c1cnccn1 2230a_100016997473_200000703233 [0,0,1,0,0,0|2,0,0]=3 992 B12R1.30 CC(NCCO)c1cnccn1 269862a_100000210304_100000751083 [0,0,1,0,0,0|2,0,0]=3 993 B12R1.30 CC(NCCO)c1cncnc1 269862a_100000210304_100000757475 [0,0,1,0,0,0|2,0,0]=3 994 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,0,1,0,0,0|3,0,0]=4 995 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,0,1,0,0,0|3,0,0]=4 996 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,0,1,0,0,0|3,0,0]=4 997 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,0,1,0,0,0|3,0,0]=4 998 B12R1.30 CC(SCCF)c1cnccn1 62a_100011217306_200000703233 [0,0,1,0,0,0|3,0,0]=4 999 B12R1.30 CC(SCCF)c1cnccn1 62a_200000703233_100011217306 [0,0,1,0,0,0|3,0,0]=4 1000 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,0,1,0,0,0|3,0,0]=4 1001 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,0,1,0,0,0|3,0,0]=4 1002 B12R1.30 CC(SCCO)c1cnccn1 62a_100000211926_200000703233 [0,0,1,0,0,0|3,0,0]=4 1003 B12R1.30 CC(SCCO)c1cnccn1 62a_200000703233_100000211926 [0,0,1,0,0,0|3,0,0]=4 1004 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,0,1,0,0,0|2,0,1]=4 1005 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,0,1,0,0,0|3,0,0]=4 1006 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,0,1,0,0,0|3,0,0]=4 1007 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,0,1,0,0,0|3,0,0]=4 1008 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,0,1,0,0,0|3,0,0]=4 1009 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,0,1,0,0,0|3,0,0]=4 1010 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,0,1,0,0,0|3,0,0]=4 1011 B12R1.30 CCCCN(C)c1cccnn1 27a_100000207549_100016991348 [0,0,1,0,0,0|3,0,0]=4 1012 B12R1.30 CCCCN(C)c1cnccn1 27a_100000207549_100000211759 [0,0,1,0,0,0|3,0,0]=4 1013 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,0,1,0,0,0|3,0,0]=4 1014 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,0,1,0,0,0|3,0,0]=4 1015 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,0,1,0,0,0|3,0,0]=4 1016 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,0,1,0,0,0|2,0,1]=4 1017 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,0,1,0,0,0|2,0,1]=4 1018 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,0,1,0,0,0|2,0,1]=4 1019 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,0,1,0,0,0|2,0,1]=4 1020 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,0,1,0,0,0|1,0,0]=2 1021 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,0,1,0,0,0|2,0,0]=3 1022 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,0,1,0,0,0|2,0,0]=3 1023 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,0,1,0,0,0|0,0,0]=1 1024 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,0,1,0,0,0|0,0,0]=1 1025 B12R1.30 CCCNC(C)c1cccnn1 269862a_100020643023_100009866853 [0,0,1,0,0,0|1,0,0]=2 1026 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,0,1,0,0,0|2,0,0]=3 1027 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,0,1,0,0,0|2,0,0]=3 1028 B12R1.30 CCCNC(C)c1ccnnc1 269862a_100020643023_100012182992 [0,0,1,0,0,0|1,0,0]=2 1029 B12R1.30 CCCNC(C)c1cnccn1 269862a_100020643023_100000751083 [0,0,1,0,0,0|1,0,0]=2 1030 B12R1.30 CCCNC(C)c1cncnc1 269862a_100020643023_100000757475 [0,0,1,0,0,0|1,0,0]=2 1031 B12R1.30 CCCNC(C)c1ncccn1 2230a_100020641698_100000210303 [0,0,1,0,0,0|3,0,0]=4 1032 B12R1.30 CCCNC(C)c1ncccn1 270004a_100020643023_100011350828 [0,0,1,0,0,0|3,0,0]=4 1033 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,0,1,0,0,0|1,0,0]=2 1034 B12R1.30 CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210303 [0,0,1,0,0,0|1,0,0]=2 1035 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,0,1,0,0,0|2,0,0]=3 1036 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,0,1,0,0,0|2,0,0]=3 1037 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,0,1,0,0,0|2,0,0]=3 1038 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,0,1,0,0,0|2,0,0]=3 1039 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,0,1,0,0,0|2,0,0]=3 1040 B12R1.30 CCCSC(C)c1cnccn1 62a_100000210303_200000703233 [0,0,1,0,0,0|2,0,0]=3 1041 B12R1.30 CCCSC(C)c1cnccn1 62a_200000703233_100000210303 [0,0,1,0,0,0|2,0,0]=3 1042 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,0,1,0,0,0|3,0,0]=4 1043 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,0,1,0,0,0|3,0,0]=4 1044 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,0,1,0,0,0|3,0,0]=4 1045 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,0,1,0,0,0|3,0,0]=4 1046 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,0,1,0,0,0|3,0,0]=4 1047 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,0,1,0,0,0|3,0,0]=4 1048 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,0,1,0,0,0|2,0,0]=3 1049 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,0,1,0,0,0|3,0,0]=4 1050 B12R1.30 CCNN=C(C)c1cccnc1 4a_100000756455_100000210468 [0,0,1,0,0,0|1,0,2]=4 1051 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,0,1,0,0,0|3,0,0]=4 1052 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,0,1,0,0,0|3,0,0]=4 1053 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,0,1,0,0,0|3,0,0]=4 1054 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,0,1,0,0,0|3,0,0]=4 1055 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,0,1,0,0,0|2,0,0]=3 1056 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,0,1,0,0,0|3,0,0]=4 1057 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,0,1,0,0,0|3,0,0]=4 1058 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,0,1,0,0,0|2,0,1]=4 1059 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,0,1,0,0,0|2,0,1]=4 1060 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,0,1,0,0,0|3,0,0]=4 1061 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,0,1,0,0,0|3,0,0]=4 1062 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,0,1,0,0,0|3,0,0]=4 1063 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,0,1,0,0,0|3,0,0]=4 1064 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,0,1,0,0,0|3,0,0]=4 1065 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,0,1,0,0,0|3,0,0]=4 1066 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,0,1,0,0,0|3,0,0]=4 1067 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,0,1,0,0,0|3,0,0]=4 1068 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,0,1,0,0,0|3,0,0]=4 1069 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,0,1,0,0,0|3,0,0]=4 1070 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,0,1,0,0,0|3,0,0]=4 1071 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,0,1,0,0,0|3,0,0]=4 1072 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,0,1,0,0,0|2,0,0]=3 1073 B12R1.30 COCNC(C)c1ccccn1 2230a_100000181244_100000766300 [0,0,1,0,0,0|3,0,0]=4 1074 B12R1.30 COCNC(C)c1cccnc1 2230a_100000195435_100000766300 [0,0,1,0,0,0|1,0,0]=2 1075 B12R1.30 COCNC(C)c1ccncc1 2230a_100000181269_100000766300 [0,0,1,0,0,0|3,0,0]=4 1076 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,0,1,0,0,0|2,0,0]=3 1077 B12R1.30 COCN[C@H](C)c1cnccn1 2230a_100020589798_100000766300 [0,0,1,0,0,0|2,0,0]=3 1078 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,0,1,0,0,0|3,0,0]=4 1079 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,0,1,0,0,0|3,0,0]=4 1080 B12R1.30 COCSC(C)c1cnccn1 62a_100000766300_200000703233 [0,0,1,0,0,0|3,0,0]=4 1081 B12R1.30 COCSC(C)c1cnccn1 62a_200000703233_100000766300 [0,0,1,0,0,0|3,0,0]=4 1082 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,0,1,0,0,0|3,0,0]=4 1083 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,0,1,0,0,0|3,0,0]=4 1084 B12R1.30 CSCNC(C)c1ccccn1 2230a_100000181244_100011218213 [0,0,1,0,0,0|3,0,0]=4 1085 B12R1.30 CSCNC(C)c1cccnc1 2230a_100000195435_100011218213 [0,0,1,0,0,0|1,0,0]=2 1086 B12R1.30 CSCNC(C)c1ccncc1 2230a_100000181269_100011218213 [0,0,1,0,0,0|3,0,0]=4 1087 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,0,1,0,0,0|2,0,0]=3 1088 B12R1.30 CSCN[C@H](C)c1cnccn1 2230a_100020589798_100011218213 [0,0,1,0,0,0|2,0,0]=3 1089 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,0,1,0,0,0|3,0,0]=4 1090 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,0,1,0,0,0|3,0,0]=4 1091 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,0,1,0,0,0|3,0,0]=4 1092 B12R1.30 CSCSC(C)c1cnccn1 62a_100011218213_200000703233 [0,0,1,0,0,0|3,0,0]=4 1093 B12R1.30 CSCSC(C)c1cnccn1 62a_200000703233_100011218213 [0,0,1,0,0,0|3,0,0]=4 1094 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,0,1,0,0,0|2,0,1]=4 1095 B12R1.30 C[C@@H](NCC#N)c1cnccn1 2230a_100020589798_100011215382 [0,0,1,0,0,0|2,0,1]=4 1096 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,0,1,0,0,0|2,0,1]=4 1097 B12R1.30 C[C@@H](NCC=O)c1cnccn1 2230a_100020589798_200015260668 [0,0,1,0,0,0|2,0,1]=4 1098 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,0,1,0,0,0|2,0,0]=3 1099 B12R1.30 C[C@@H](NCCF)c1cnccn1 2230a_100020589798_100011217306 [0,0,1,0,0,0|2,0,0]=3 1100 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,0,1,0,0,0|2,0,0]=3 1101 B12R1.30 C[C@@H](NCCO)c1cnccn1 2230a_100020589798_100000211926 [0,0,1,0,0,0|2,0,0]=3 1102 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,0,1,0,0,0|3,0,0]=4 1103 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,0,1,0,0,0|3,0,0]=4 1104 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,0,1,0,0,0|3,0,0]=4 1105 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,0,1,0,0,0|3,0,0]=4 1106 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,0,1,0,0,0|3,0,0]=4 1107 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,0,1,0,0,0|3,0,0]=4 1108 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,0,1,0,0,0|2,0,0]=3 1109 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,0,1,0,0,0|3,0,0]=4 1110 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,0,1,0,0,0|3,0,0]=4 1111 B14R3.2932 c1cnc(cn1)N2CC3CC3C2 27a_100000741873_100000211759 [0,0,0,1,0,0|3,0,0]=4 1112 B14R3.2932 c1cnnc(c1)N2CC3CC3C2 27a_100000741873_100016991348 [0,0,0,1,0,0|3,0,0]=4 1113 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,0,1,0|1,0,2]=4 1114 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,0,0,0,1,0|0,0,2]=3 1115 B12R2.2 C1=C(CCC1)c2cccnn2 271570a_100000089523_100016991348 [0,0,0,0,1,0|1,0,2]=4 1116 B12R2.2 C1=C(CCC1)c2ccnnc2 271570a_100000089523_100000732662 [0,0,0,0,1,0|1,0,2]=4 1117 B12R2.2 C1=C(CCC1)c2cnccn2 271570a_100000089523_100000758340 [0,0,0,0,1,0|1,0,2]=4 1118 B12R2.2 C1=C(CCC1)c2cncnc2 271570a_100000089523_100011206942 [0,0,0,0,1,0|1,0,2]=4 1119 B12R2.2 C1=C(CCCC1)c2c[nH]cn2 271570a_100000062251_100000756875 [0,0,0,0,1,0|2,0,1]=4 1120 B12R2.2 C1=C(CCCC1)c2cc[nH]n2 271570a_100000062251_100000062575 [0,0,0,0,1,0|2,0,1]=4 1121 B12R2.2 C1=C(CCCC1)c2ccco2 271570a_100000062251_100009814098 [0,0,0,0,1,0|2,0,1]=4 1122 B12R2.2 C1=C(CCCC1)c2cccs2 271570a_100000062251_100011215356 [0,0,0,0,1,0|2,0,1]=4 1123 B12R2.2 C1=C(CCCC1)c2ccoc2 271570a_100000062251_100011215275 [0,0,0,0,1,0|2,0,1]=4 1124 B12R2.2 C1=C(CCCC1)c2ccsc2 271570a_100000062251_100000738268 [0,0,0,0,1,0|2,0,1]=4 1125 B12R2.2 C1=C(CCCC1)c2ccsn2 271570a_100000062251_100009818082 [0,0,0,0,1,0|2,0,1]=4 1126 B12R2.2 C1=C(CCCC1)c2cn[nH]c2 271570a_100000062251_100000238712 [0,0,0,0,1,0|2,0,1]=4 1127 B12R2.2 C1=C(CCCC1)c2cnco2 271570a_100000062251_100020591547 [0,0,0,0,1,0|2,0,1]=4 1128 B12R2.2 C1=C(CCCC1)c2cncs2 271570a_100000062251_100011934649 [0,0,0,0,1,0|2,0,1]=4 1129 B12R2.2 C1=C(CCCC1)c2cnoc2 271570a_100000062251_100009815712 [0,0,0,0,1,0|2,0,1]=4 1130 B12R2.2 C1=C(CCCC1)c2cnsc2 271570a_100000062251_100009815736 [0,0,0,0,1,0|2,0,1]=4 1131 B12R2.2 C1=C(CCCC1)c2cscn2 271570a_100000062251_100000751502 [0,0,0,0,1,0|2,0,1]=4 1132 B12R2.2 C1=C(CCCC1)c2ncc[nH]2 271570a_100000062251_100025796157 [0,0,0,0,1,0|2,0,1]=4 1133 B12R2.2 C1=C(CCCC1)c2ncco2 271570a_100000062251_100011787736 [0,0,0,0,1,0|2,0,1]=4 1134 B12R2.2 C1=C(CCCC1)c2nccs2 271570a_100000062251_100000211983 [0,0,0,0,1,0|2,0,1]=4 1135 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [0,0,0,0,1,0|1,0,2]=4 1136 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [0,0,0,0,1,0|1,0,2]=4 1137 B12R2.2 c1cnc(cn1)N2CCCC2 27a_100000188435_100000211759 [0,0,0,0,1,0|2,0,0]=3 1138 B12R2.2 c1cnc(cn1)N2CCSC2 27a_100011215254_100000211759 [0,0,0,0,1,0|3,0,0]=4 1139 B12R2.2 c1cnnc(c1)N2CCCC2 27a_100000188435_100016991348 [0,0,0,0,1,0|2,0,0]=3 1140 B12R2.2 c1cnnc(c1)N2CCSC2 27a_100011215254_100016991348 [0,0,0,0,1,0|3,0,0]=4 1141 B14R2.6 C1=CC(CCC1)Oc2ccccc2 7a_100000210340_100000751183 [0,0,0,0,0,1|2,0,1]=4 1142 B14R2.6 C1=CC(CCC1)Oc2cccnc2 7a_100000210849_100000751183 [0,0,0,0,0,1|1,0,1]=3 1143 B14R2.6 C1=CC(CCC1)Oc2cncnc2 7a_100000754086_100000751183 [0,0,0,0,0,1|2,0,1]=4 1144 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000719477_100000751183 [0,0,0,0,0,1|2,0,1]=4 1145 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000751183_100000041952 [0,0,0,0,0,1|2,0,1]=4 1146 B14R2.6 C1=CC(CCC1)Sc2cccnc2 62a_100000210063_100000751183 [0,0,0,0,0,1|1,0,1]=3 1147 B14R2.6 C1=CC(CCC1)Sc2cccnc2 62a_100000751183_100000210063 [0,0,0,0,0,1|1,0,1]=3 1148 B14R2.6 C1=CC(CCC1)Sc2cccnn2 62a_100000751183_100016991348 [0,0,0,0,0,1|2,0,1]=4 1149 B14R2.6 C1=CC(CCC1)Sc2cccnn2 62a_100016991348_100000751183 [0,0,0,0,0,1|2,0,1]=4 1150 B14R2.6 C1=CC(CCC1)Sc2ccnnc2 62a_100000732662_100000751183 [0,0,0,0,0,1|2,0,1]=4 1151 B14R2.6 C1=CC(CCC1)Sc2ccnnc2 62a_100000751183_100000732662 [0,0,0,0,0,1|2,0,1]=4 1152 B14R2.6 C1=CC(CCC1)Sc2cnccn2 62a_100000211759_100000751183 [0,0,0,0,0,1|2,0,1]=4 1153 B14R2.6 C1=CC(CCC1)Sc2cnccn2 62a_100000751183_100000211759 [0,0,0,0,0,1|2,0,1]=4 1154 B14R2.6 C1=CC(CCC1)Sc2cncnc2 62a_100000751183_100011206942 [0,0,0,0,0,1|2,0,1]=4 1155 B14R2.6 C1=CC(CCC1)Sc2cncnc2 62a_100011206942_100000751183 [0,0,0,0,0,1|2,0,1]=4 1156 B14R2.6 c1cc(ccn1)OC2CCCCC2 34a_100000212176_100000210327 [0,0,0,0,0,1|3,0,0]=4 1157 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000210327_100000728582 [0,0,0,0,0,1|3,0,0]=4 1158 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000728582_100000210327 [0,0,0,0,0,1|3,0,0]=4 1159 B14R2.6 c1cc(cnn1)OC2CCCCC2 34a_100015204005_100000210327 [0,0,0,0,0,1|2,0,0]=3 1160 B14R2.6 c1cc(cnn1)OC2CCCOC2 34a_100015204005_100000693364 [0,0,0,0,0,1|3,0,0]=4 1161 B14R2.6 c1cc(cnn1)OC2CCSCC2 34a_100015204005_100000069128 [0,0,0,0,0,1|3,0,0]=4 1162 B14R2.6 c1cc(cnn1)SC2CCCCC2 62a_100000210327_100000732662 [0,0,0,0,0,1|2,0,0]=3 1163 B14R2.6 c1cc(cnn1)SC2CCCCC2 62a_100000732662_100000210327 [0,0,0,0,0,1|2,0,0]=3 1164 B14R2.6 c1cc(cnn1)SC2CCCOC2 62a_100000732662_100000693364 [0,0,0,0,0,1|3,0,0]=4 1165 B14R2.6 c1cc(cnn1)SC2CCOCC2 62a_100000732662_100011324220 [0,0,0,0,0,1|3,0,0]=4 1166 B14R2.6 c1cc(cnn1)SC2CCSCC2 62a_100000732662_100000069128 [0,0,0,0,0,1|3,0,0]=4 1167 B14R2.6 c1ccc(cc1)NC2CCCCC2 34a_100000106764_100000210327 [0,0,0,0,0,1|2,0,0]=3 1168 B14R2.6 c1ccc(cc1)NC2CCCOC2 34a_100000106764_100000693364 [0,0,0,0,0,1|3,0,0]=4 1169 B14R2.6 c1ccc(cc1)NC2CCSCC2 34a_100000106764_100000069128 [0,0,0,0,0,1|3,0,0]=4 1170 B14R2.6 c1ccc(cc1)OC2CCCCC2 34a_100000210340_100000210327 [0,0,0,0,0,1|2,0,0]=3 1171 B14R2.6 c1ccc(cc1)OC2CCCCC2 7a_100000210340_100000210327 [0,0,0,0,0,1|2,0,0]=3 1172 B14R2.6 c1ccc(cc1)OC2CCCOC2 34a_100000210340_100000693364 [0,0,0,0,0,1|3,0,0]=4 1173 B14R2.6 c1ccc(cc1)OC2CCCOC2 7a_100000210340_100000693364 [0,0,0,0,0,1|3,0,0]=4 1174 B14R2.6 c1ccc(cc1)OC2CCOCC2 7a_100000210340_100000686592 [0,0,0,0,0,1|3,0,0]=4 1175 B14R2.6 c1ccc(cc1)OC2CCSCC2 34a_100000210340_100000069128 [0,0,0,0,0,1|3,0,0]=4 1176 B14R2.6 c1ccc(cc1)OC2CCSCC2 7a_100000210340_100011500858 [0,0,0,0,0,1|3,0,0]=4 1177 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000210327_100000041952 [0,0,0,0,0,1|2,0,0]=3 1178 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000719477_100000210327 [0,0,0,0,0,1|2,0,0]=3 1179 B14R2.6 c1ccc(cc1)SC2CCCOC2 62a_100000719477_100000693364 [0,0,0,0,0,1|3,0,0]=4 1180 B14R2.6 c1ccc(cc1)SC2CCOCC2 62a_100000719477_100011324220 [0,0,0,0,0,1|3,0,0]=4 1181 B14R2.6 c1ccc(cc1)SC2CCSCC2 62a_100000719477_100000069128 [0,0,0,0,0,1|3,0,0]=4 1182 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100000210327_100011216584 [0,0,0,0,0,1|3,0,0]=4 1183 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100011216584_100000210327 [0,0,0,0,0,1|3,0,0]=4 1184 B14R2.6 c1cnc(cn1)NC2CCCCC2 27a_100000182618_100000211759 [0,0,0,0,0,1|2,0,0]=3 1185 B14R2.6 c1cnc(cn1)NC2CCCOC2 27a_100000719290_100000211759 [0,0,0,0,0,1|3,0,0]=4 1186 B14R2.6 c1cnc(cn1)NC2CCOCC2 27a_100000741149_100000211759 [0,0,0,0,0,1|3,0,0]=4 1187 B14R2.6 c1cnc(cn1)NC2CCSCC2 27a_100000748639_100000211759 [0,0,0,0,0,1|3,0,0]=4 1188 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000210327_100000211759 [0,0,0,0,0,1|2,0,0]=3 1189 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000211759_100000210327 [0,0,0,0,0,1|2,0,0]=3 1190 B14R2.6 c1cnc(cn1)SC2CCCOC2 62a_100000211759_100000693364 [0,0,0,0,0,1|3,0,0]=4 1191 B14R2.6 c1cnc(cn1)SC2CCOCC2 62a_100000211759_100011324220 [0,0,0,0,0,1|3,0,0]=4 1192 B14R2.6 c1cnc(cn1)SC2CCSCC2 62a_100000211759_100000069128 [0,0,0,0,0,1|3,0,0]=4 1193 B14R2.6 c1cncc(c1)CN2CCCOC2 2230a_100000131196_100000741622 [0,0,0,0,0,1|3,0,0]=4 1194 B14R2.6 c1cncc(c1)CN2CCCOC2 269982a_100000131196_100000733263 [0,0,0,0,0,1|3,0,0]=4 1195 B14R2.6 c1cncc(c1)CN2CCCOC2 270004a_100000131196_100000209961 [0,0,0,0,0,1|3,0,0]=4 1196 B14R2.6 c1cncc(c1)CN2CCCOC2 34a_100000131196_100000733263 [0,0,0,0,0,1|3,0,0]=4 1197 B14R2.6 c1cncc(c1)CN2CCOCC2 2230a_100015191051_100000741622 [0,0,0,0,0,1|3,0,0]=4 1198 B14R2.6 c1cncc(c1)CN2CCOCC2 269982a_100015191051_100000733263 [0,0,0,0,0,1|3,0,0]=4 1199 B14R2.6 c1cncc(c1)CN2CCOCC2 270004a_100015191051_100000209961 [0,0,0,0,0,1|3,0,0]=4 1200 B14R2.6 c1cncc(c1)CN2CCOCC2 34a_100015191051_100000733263 [0,0,0,0,0,1|3,0,0]=4 1201 B14R2.6 c1cncc(c1)CN2CCSCC2 2230a_100000737611_100000741622 [0,0,0,0,0,1|3,0,0]=4 1202 B14R2.6 c1cncc(c1)CN2CCSCC2 269982a_100000737611_100000733263 [0,0,0,0,0,1|3,0,0]=4 1203 B14R2.6 c1cncc(c1)CN2CCSCC2 270004a_100000737611_100000209961 [0,0,0,0,0,1|3,0,0]=4 1204 B14R2.6 c1cncc(c1)OC2CCCCC2 34a_100000210849_100000210327 [0,0,0,0,0,1|1,0,0]=2 1205 B14R2.6 c1cncc(c1)OC2CCCCC2 7a_100000210849_100000210327 [0,0,0,0,0,1|1,0,0]=2 1206 B14R2.6 c1cncc(c1)OC2CCCOC2 34a_100000210849_100000693364 [0,0,0,0,0,1|2,0,0]=3 1207 B14R2.6 c1cncc(c1)OC2CCCOC2 7a_100000210849_100000693364 [0,0,0,0,0,1|2,0,0]=3 1208 B14R2.6 c1cncc(c1)OC2CCOCC2 7a_100000210849_100000686592 [0,0,0,0,0,1|2,0,0]=3 1209 B14R2.6 c1cncc(c1)OC2CCSCC2 34a_100000210849_100000069128 [0,0,0,0,0,1|2,0,0]=3 1210 B14R2.6 c1cncc(c1)OC2CCSCC2 7a_100000210849_100011500858 [0,0,0,0,0,1|2,0,0]=3 1211 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210063_100000210327 [0,0,0,0,0,1|1,0,0]=2 1212 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210327_100000210063 [0,0,0,0,0,1|1,0,0]=2 1213 B14R2.6 c1cncc(c1)SC2CCCOC2 62a_100000210063_100000693364 [0,0,0,0,0,1|2,0,0]=3 1214 B14R2.6 c1cncc(c1)SC2CCOCC2 62a_100000210063_100011324220 [0,0,0,0,0,1|2,0,0]=3 1215 B14R2.6 c1cncc(c1)SC2CCSCC2 62a_100000210063_100000069128 [0,0,0,0,0,1|2,0,0]=3 1216 B14R2.6 c1cnnc(c1)NC2CCCCC2 27a_100000182618_100016991348 [0,0,0,0,0,1|2,0,0]=3 1217 B14R2.6 c1cnnc(c1)NC2CCCOC2 27a_100000719290_100016991348 [0,0,0,0,0,1|3,0,0]=4 1218 B14R2.6 c1cnnc(c1)NC2CCOCC2 27a_100000741149_100016991348 [0,0,0,0,0,1|3,0,0]=4 1219 B14R2.6 c1cnnc(c1)NC2CCSCC2 27a_100000748639_100016991348 [0,0,0,0,0,1|3,0,0]=4 1220 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100000210327_100016991348 [0,0,0,0,0,1|2,0,0]=3 1221 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100016991348_100000210327 [0,0,0,0,0,1|2,0,0]=3 1222 B14R2.6 c1cnnc(c1)SC2CCCOC2 62a_100016991348_100000693364 [0,0,0,0,0,1|3,0,0]=4 1223 B14R2.6 c1cnnc(c1)SC2CCOCC2 62a_100016991348_100011324220 [0,0,0,0,0,1|3,0,0]=4 1224 B14R2.6 c1cnnc(c1)SC2CCSCC2 62a_100016991348_100000069128 [0,0,0,0,0,1|3,0,0]=4 1225 B14R2.6 c1ncc(cn1)OC2CCCCC2 7a_100000754086_100000210327 [0,0,0,0,0,1|2,0,0]=3 1226 B14R2.6 c1ncc(cn1)OC2CCCOC2 7a_100000754086_100000693364 [0,0,0,0,0,1|3,0,0]=4 1227 B14R2.6 c1ncc(cn1)OC2CCOCC2 7a_100000754086_100000686592 [0,0,0,0,0,1|3,0,0]=4 1228 B14R2.6 c1ncc(cn1)OC2CCSCC2 7a_100000754086_100011500858 [0,0,0,0,0,1|3,0,0]=4 1229 B14R2.6 c1ncc(cn1)SC2CCCCC2 62a_100000210327_100011206942 [0,0,0,0,0,1|2,0,0]=3 1230 B14R2.6 c1ncc(cn1)SC2CCCCC2 62a_100011206942_100000210327 [0,0,0,0,0,1|2,0,0]=3 1231 B14R2.6 c1ncc(cn1)SC2CCCOC2 62a_100011206942_100000693364 [0,0,0,0,0,1|3,0,0]=4 1232 B14R2.6 c1ncc(cn1)SC2CCOCC2 62a_100011206942_100011324220 [0,0,0,0,0,1|3,0,0]=4 1233 B14R2.6 c1ncc(cn1)SC2CCSCC2 62a_100011206942_100000069128 [0,0,0,0,0,1|3,0,0]=4 1234 B14R2.6 c1nnncc1SC2CCCCC2 62a_100000210327_100009846058 [0,0,0,0,0,1|3,0,0]=4 1235 B14R2.6 c1nnncc1SC2CCCCC2 62a_100009846058_100000210327 [0,0,0,0,0,1|3,0,0]=4 1236 B14R2.1253 C1=C(CCCCC1)c2ccccc2 271570a_200009888920_100000210277 [0,0,0,0,0,1|2,0,1]=4 1237 B14R2.1253 C1=C(CCCCC1)c2cccnc2 271570a_200009888920_100000752921 [0,0,0,0,0,1|1,0,1]=3 1238 B14R2.1253 C1=C(CCCCC1)c2cccnn2 271570a_200009888920_100016991348 [0,0,0,0,0,1|2,0,1]=4 1239 B14R2.1253 C1=C(CCCCC1)c2ccnnc2 271570a_200009888920_100000732662 [0,0,0,0,0,1|2,0,1]=4 1240 B14R2.1253 C1=C(CCCCC1)c2cnccn2 271570a_200009888920_100000758340 [0,0,0,0,0,1|2,0,1]=4 1241 B14R2.1253 C1=C(CCCCC1)c2cncnc2 271570a_200009888920_100011206942 [0,0,0,0,0,1|2,0,1]=4 1242 B14R2.1253 c1cnc(cn1)N2CCCCCC2 27a_100000185865_100000211759 [0,0,0,0,0,1|3,0,0]=4 1243 B14R2.1253 c1cnc(cn1)N2CCCOCC2 27a_100000685342_100000211759 [0,0,0,0,0,1|3,0,0]=4 1244 B14R2.1253 c1cnnc(c1)N2CCCCCC2 27a_100000185865_100016991348 [0,0,0,0,0,1|3,0,0]=4 1245 B14R2.1253 c1cnnc(c1)N2CCCOCC2 27a_100000685342_100016991348 [0,0,0,0,0,1|3,0,0]=4 1246 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,0,1,0,0,0|1,0,0]=3 1247 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,0,1,0,0,0|1,0,0]=3 1248 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [1,0,1,0,0,0|2,0,0]=4 1249 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [1,0,1,0,0,0|2,0,0]=4 1250 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [1,0,1,0,0,0|0,0,0]=2 1251 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [1,0,1,0,0,0|0,0,0]=2 1252 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [1,0,1,0,0,0|2,0,0]=4 1253 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [1,0,1,0,0,0|1,0,0]=3 1254 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,0,1,0,0,0|1,0,0]=3 1255 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [1,0,1,0,0,0|2,0,0]=4 1256 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [1,0,1,0,0,0|0,0,0]=2 1257 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [1,0,1,0,0,0|1,0,0]=3 1258 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1259 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1260 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1261 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1262 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [1,0,1,0,0,0|2,0,0]=4 1263 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [1,0,1,0,0,0|2,0,0]=4 1264 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [1,0,1,0,0,0|2,0,0]=4 1265 B11R1.12 CCN(CC)c1cccnn1 27a_100000724800_100016991348 [1,0,1,0,0,0|2,0,0]=4 1266 B11R1.12 CCN(CC)c1cnccn1 27a_100000724800_100000211759 [1,0,1,0,0,0|2,0,0]=4 1267 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1268 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1269 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1270 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1271 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,1,0,0,0|2,0,0]=4 1272 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,1,0,0,0|2,0,0]=4 1273 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,1,0,0,0|2,0,0]=4 1274 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,1,0,0,0|2,0,0]=4 1275 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,1,0,0,0|2,0,0]=4 1276 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,1,0,0,0|2,0,0]=4 1277 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 1278 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 1279 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 1280 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 1281 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 1282 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 1283 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [1,0,1,0,0,0|2,0,0]=4 1284 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [1,0,1,0,0,0|2,0,0]=4 1285 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 1286 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 1287 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 1288 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,1,0,0,0|1,0,0]=3 1289 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,1,0,0,0|1,0,0]=3 1290 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,0,1,0,0,0|2,0,0]=4 1291 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,0,1,0,0,0|2,0,0]=4 1292 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,0,1,0,0,0|0,0,0]=2 1293 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,0,1,0,0,0|0,0,0]=2 1294 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [1,0,1,0,0,0|1,0,0]=3 1295 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,0,1,0,0,0|2,0,0]=4 1296 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,0,1,0,0,0|2,0,0]=4 1297 B11R1.16 CCNC(C)c1ccnnc1 269862a_100015525214_100012182992 [1,0,1,0,0,0|1,0,0]=3 1298 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [1,0,1,0,0,0|1,0,0]=3 1299 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [1,0,1,0,0,0|1,0,0]=3 1300 B11R1.16 CCNC(C)c1cncnc1 269862a_100015525214_100000757475 [1,0,1,0,0,0|1,0,0]=3 1301 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,1,0,0,0|1,0,0]=3 1302 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [1,0,1,0,0,0|1,0,0]=3 1303 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,1,0,0,0|2,0,0]=4 1304 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,1,0,0,0|2,0,0]=4 1305 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,1,0,0,0|2,0,0]=4 1306 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,1,0,0,0|2,0,0]=4 1307 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,1,0,0,0|2,0,0]=4 1308 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [1,0,1,0,0,0|2,0,0]=4 1309 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [1,0,1,0,0,0|2,0,0]=4 1310 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,1,0,0,0|2,0,0]=4 1311 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,1,0,0,0|2,0,0]=4 1312 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,1,0,0,0|2,0,0]=4 1313 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,1,0,0,0|2,0,0]=4 1314 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,1,0,0,0|2,0,0]=4 1315 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,1,0,0,0|2,0,0]=4 1316 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,0,1,0,0,0|2,0,0]=4 1317 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,1,0,0,0|2,0,0]=4 1318 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,1,0,0,0|2,0,0]=4 1319 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,1,0,0,0|2,0,0]=4 1320 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1321 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,1,0,0,0|2,0,0]=4 1322 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,1,0,0,0|2,0,0]=4 1323 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,0,1,0,0,0|2,0,0]=4 1324 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1325 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,0,1,0,0,0|2,0,0]=4 1326 B11R1.28 C#CCNCc1cccnc1 34a_100000212058_100000733263 [1,0,1,0,0,0|0,0,2]=4 1327 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [1,0,1,0,0,0|0,0,2]=4 1328 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [1,0,1,0,0,0|0,0,2]=4 1329 B11R1.28 CC=NNCc1cccnc1 4a_100000738295_200000210099 [1,0,1,0,0,0|1,0,1]=4 1330 B11R1.28 CCC=NNc1cccnc1 4a_100000728903_100000210100 [1,0,1,0,0,0|1,0,1]=4 1331 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,0,1,0,0,0|0,0,2]=4 1332 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,1,0,0,0|1,0,0]=3 1333 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [1,0,1,0,0,0|1,0,0]=3 1334 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [1,0,1,0,0,0|1,0,0]=3 1335 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,1,0,0,0|2,0,0]=4 1336 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,1,0,0,0|2,0,0]=4 1337 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,0,1,0,0,0|1,0,0]=3 1338 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,0,1,0,0,0|1,0,0]=3 1339 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [1,0,1,0,0,0|2,0,0]=4 1340 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [1,0,1,0,0,0|2,0,0]=4 1341 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,1,0,0,0|2,0,0]=4 1342 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,1,0,0,0|2,0,0]=4 1343 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,0,1,0,0,0|1,0,0]=3 1344 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,0,1,0,0,0|1,0,0]=3 1345 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [1,0,1,0,0,0|2,0,0]=4 1346 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [1,0,1,0,0,0|2,0,0]=4 1347 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [1,0,1,0,0,0|2,0,0]=4 1348 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [1,0,1,0,0,0|2,0,0]=4 1349 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [1,0,1,0,0,0|2,0,0]=4 1350 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [1,0,1,0,0,0|2,0,0]=4 1351 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [1,0,1,0,0,0|2,0,0]=4 1352 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [1,0,1,0,0,0|2,0,0]=4 1353 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,1,0,0,0|1,0,0]=3 1354 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,1,0,0,0|1,0,0]=3 1355 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,1,0,0,0|1,0,0]=3 1356 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,1,0,0,0|1,0,0]=3 1357 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,0,1,0,0,0|2,0,0]=4 1358 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,0,1,0,0,0|2,0,0]=4 1359 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,0,1,0,0,0|0,0,0]=2 1360 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,0,1,0,0,0|0,0,0]=2 1361 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [1,0,1,0,0,0|1,0,0]=3 1362 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,0,1,0,0,0|2,0,0]=4 1363 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [1,0,1,0,0,0|1,0,0]=3 1364 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [1,0,1,0,0,0|1,0,0]=3 1365 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [1,0,1,0,0,0|1,0,0]=3 1366 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [1,0,1,0,0,0|1,0,0]=3 1367 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,1,0,0,0|2,0,0]=4 1368 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,1,0,0,0|2,0,0]=4 1369 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,1,0,0,0|2,0,0]=4 1370 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,0,1,0,0,0|1,0,0]=3 1371 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [1,0,1,0,0,0|2,0,0]=4 1372 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [1,0,1,0,0,0|2,0,0]=4 1373 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [1,0,1,0,0,0|2,0,0]=4 1374 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,1,0,0,0|2,0,0]=4 1375 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,1,0,0,0|2,0,0]=4 1376 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,0,1,0,0,0|1,0,0]=3 1377 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,0,1,0,0,0|1,0,0]=3 1378 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [1,0,1,0,0,0|2,0,0]=4 1379 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [1,0,1,0,0,0|2,0,0]=4 1380 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [1,0,1,0,0,0|2,0,0]=4 1381 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [1,0,1,0,0,0|2,0,0]=4 1382 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [1,0,1,0,0,0|2,0,0]=4 1383 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [1,0,1,0,0,0|2,0,0]=4 1384 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,1,0,0,0|2,0,0]=4 1385 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,1,0,0,0|2,0,0]=4 1386 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,1,0,0,0|2,0,0]=4 1387 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,0,1,0,0,0|1,0,0]=3 1388 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,0,1,0,0,0|1,0,0]=3 1389 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,1,0,0,0|2,0,0]=4 1390 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,1,0,0,0|2,0,0]=4 1391 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,1,0,0,0|2,0,0]=4 1392 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,0,1,0,0,0|1,0,0]=3 1393 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [1,0,1,0,0,0|2,0,0]=4 1394 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [1,0,1,0,0,0|2,0,0]=4 1395 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [1,0,1,0,0,0|2,0,0]=4 1396 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [1,0,1,0,0,0|2,0,0]=4 1397 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,1,0,0,0|2,0,0]=4 1398 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,1,0,0,0|2,0,0]=4 1399 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,0,1,0,0,0|1,0,0]=3 1400 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,0,1,0,0,0|1,0,0]=3 1401 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,1,0,0,0|2,0,0]=4 1402 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,1,0,0,0|2,0,0]=4 1403 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,1,0,0,0|2,0,0]=4 1404 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,1,0,0,0|2,0,0]=4 1405 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,1,0,0,0|2,0,0]=4 1406 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,0,1,0,0,0|1,0,0]=3 1407 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,0,1,0,0,0|1,0,0]=3 1408 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,0,1,0,0,0|2,0,0]=4 1409 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,1,0,0,0|2,0,0]=4 1410 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,1,0,0,0|2,0,0]=4 1411 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,1,0,0,0|2,0,0]=4 1412 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,0,1,0,0,0|1,0,0]=3 1413 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,1,0,0,0|2,0,0]=4 1414 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,1,0,0,0|2,0,0]=4 1415 B11R1.28 COCCNc1cccnn1 27a_100000209980_100016991348 [1,0,1,0,0,0|2,0,0]=4 1416 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [1,0,1,0,0,0|2,0,0]=4 1417 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,0,1,0,0,0|2,0,0]=4 1418 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,0,1,0,0,0|2,0,0]=4 1419 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,0,1,0,0,0|2,0,0]=4 1420 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,0,1,0,0,0|2,0,0]=4 1421 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,1,0,0,0|2,0,0]=4 1422 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [1,0,1,0,0,0|2,0,0]=4 1423 B11R1.28 COCNCc1cncnc1 2230a_100011243677_100000766300 [1,0,1,0,0,0|2,0,0]=4 1424 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,0,1,0,0,0|2,0,0]=4 1425 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,0,1,0,0,0|2,0,0]=4 1426 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,1,0,0,0|2,0,0]=4 1427 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,1,0,0,0|2,0,0]=4 1428 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,0,1,0,0,0|2,0,0]=4 1429 B11R1.28 CSCCNc1cccnn1 27a_100020590264_100016991348 [1,0,1,0,0,0|2,0,0]=4 1430 B11R1.28 CSCCNc1cnccn1 27a_100020590264_100000211759 [1,0,1,0,0,0|2,0,0]=4 1431 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,0,1,0,0,0|2,0,0]=4 1432 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,0,1,0,0,0|2,0,0]=4 1433 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [1,0,1,0,0,0|2,0,0]=4 1434 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [1,0,1,0,0,0|2,0,0]=4 1435 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,0,1,0,0,0|2,0,0]=4 1436 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,0,1,0,0,0|2,0,0]=4 1437 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [1,0,1,0,0,0|2,0,0]=4 1438 B11R1.28 CSCNCc1cncnc1 2230a_100011243677_100011218213 [1,0,1,0,0,0|2,0,0]=4 1439 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,0,1,0,0,0|2,0,0]=4 1440 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,0,1,0,0,0|2,0,0]=4 1441 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,0,1,0,0,0|2,0,0]=4 1442 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [1,0,1,0,0,0|2,0,0]=4 1443 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [1,0,1,0,0,0|2,0,0]=4 1444 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,0,1,0,0,0|2,0,0]=4 1445 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,0,1,0,0,0|2,0,0]=4 1446 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [1,0,1,0,0,0|2,0,0]=4 1447 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [1,0,1,0,0,0|2,0,0]=4 1448 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,0,1,0,0,0|2,0,0]=4 1449 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,0,1,0,0,0|2,0,0]=4 1450 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,0,1,0,0,0|2,0,0]=4 1451 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [1,0,1,0,0,0|1,0,0]=3 1452 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [1,0,1,0,0,0|2,0,0]=4 1453 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [1,0,1,0,0,0|2,0,0]=4 1454 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [1,0,1,0,0,0|2,0,0]=4 1455 B11R1.28 FCCNCc1cncnc1 2230a_100011243677_100011217306 [1,0,1,0,0,0|2,0,0]=4 1456 B11R1.28 FCCNCc1cncnc1 34a_100000724931_100015196519 [1,0,1,0,0,0|2,0,0]=4 1457 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [1,0,1,0,0,0|2,0,0]=4 1458 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [1,0,1,0,0,0|2,0,0]=4 1459 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,0,1,0,0,0|2,0,0]=4 1460 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,0,1,0,0,0|2,0,0]=4 1461 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,0,1,0,0,0|2,0,0]=4 1462 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,0,1,0,0,0|2,0,0]=4 1463 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,0,1,0,0,0|1,0,0]=3 1464 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [1,0,1,0,0,0|2,0,0]=4 1465 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [1,0,1,0,0,0|2,0,0]=4 1466 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [1,0,1,0,0,0|2,0,0]=4 1467 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,1,0,0,0|2,0,0]=4 1468 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [1,0,1,0,0,0|2,0,0]=4 1469 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [1,0,1,0,0,0|2,0,0]=4 1470 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,0,1,0,0,0|2,0,0]=4 1471 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,0,1,0,0,0|2,0,0]=4 1472 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,0,1,0,0,0|2,0,0]=4 1473 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,0,1,0,0,0|2,0,0]=4 1474 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,1,0,0,0|2,0,0]=4 1475 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,1,0,0,0|2,0,0]=4 1476 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,1,0,0,0|2,0,0]=4 1477 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,1,0,0,0|2,0,0]=4 1478 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,1,0,0,0|2,0,0]=4 1479 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,1,0,0,0|2,0,0]=4 1480 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,0,1,0,0,0|1,0,0]=3 1481 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,0,1,0,0,0|1,0,0]=3 1482 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,0,1,0,0,0|1,0,0]=3 1483 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,0,1,0,0,0|1,0,0]=3 1484 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [1,0,1,0,0,0|2,0,0]=4 1485 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [1,0,1,0,0,0|2,0,0]=4 1486 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [1,0,1,0,0,0|2,0,0]=4 1487 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [1,0,1,0,0,0|2,0,0]=4 1488 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [1,0,1,0,0,0|2,0,0]=4 1489 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [1,0,1,0,0,0|2,0,0]=4 1490 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [1,0,1,0,0,0|2,0,0]=4 1491 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [1,0,1,0,0,0|2,0,0]=4 1492 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [1,0,1,0,0,0|2,0,0]=4 1493 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [1,0,1,0,0,0|2,0,0]=4 1494 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [1,0,1,0,0,0|2,0,0]=4 1495 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,0,1,0,0,0|2,0,0]=4 1496 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,0,1,0,0,0|2,0,0]=4 1497 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,1,0,0,0|2,0,0]=4 1498 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,1,0,0,0|2,0,0]=4 1499 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,0,1,0,0,0|1,0,0]=3 1500 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,0,1,0,0,0|1,0,0]=3 1501 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,0,1,0,0,0|2,0,0]=4 1502 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,1,0,0,0|2,0,0]=4 1503 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,1,0,0,0|2,0,0]=4 1504 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,0,1,0,0,0|1,0,0]=3 1505 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,1,0,0,0|2,0,0]=4 1506 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,1,0,0,0|2,0,0]=4 1507 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,1,0,0,0|2,0,0]=4 1508 B13R1.1 CCC(NCF)c1ccc(cc1)C 34a_100000749201_100015361967 [0,1,1,0,0,0|2,0,0]=4 1509 B13R1.1 CCC(NCF)c1ccc(cc1)F 34a_100011191751_100015361967 [0,1,1,0,0,0|2,0,0]=4 1510 B13R1.1 CCC(NCF)c1ccc(cc1)O 34a_100015187210_100015361967 [0,1,1,0,0,0|2,0,0]=4 1511 B13R1.1 CCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011267722 [0,1,1,0,0,0|1,0,0]=3 1512 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,1,1,0,0,0|1,0,0]=3 1513 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,1,1,0,0,0|1,0,0]=3 1514 B13R1.1 CCCC(NC)c1ccc(cc1)F 269862a_106832991636_100011267477 [0,1,1,0,0,0|1,0,0]=3 1515 B13R1.1 CCCC(NC)c1ccc(nc1)Cl 269862a_106832991636_200012185933 [0,1,1,0,0,0|0,0,0]=2 1516 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [0,1,1,0,0,0|2,0,0]=4 1517 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [0,1,1,0,0,0|2,0,0]=4 1518 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [0,1,1,0,0,0|2,0,0]=4 1519 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [0,1,1,0,0,0|2,0,0]=4 1520 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,1,1,0,0,0|1,0,0]=3 1521 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,1,1,0,0,0|1,0,0]=3 1522 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,1,1,0,0,0|1,0,0]=3 1523 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,1,1,0,0,0|1,0,0]=3 1524 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 2230a_100020612123_200000210301 [0,1,1,0,0,0|1,0,0]=3 1525 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 34a_100020612123_200000210301 [0,1,1,0,0,0|1,0,0]=3 1526 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 2230a_100020612123_200025704644 [0,1,1,0,0,0|1,0,0]=3 1527 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 34a_100020612123_200025704644 [0,1,1,0,0,0|1,0,0]=3 1528 B13R1.1 CCNC(CC)c1ccc(cc1)Br 269862a_100015525214_100000211647 [0,1,1,0,0,0|1,0,0]=3 1529 B13R1.1 CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210202 [0,1,1,0,0,0|1,0,0]=3 1530 B13R1.1 CCNC(CC)c1ccc(cc1)C 269862a_100015525214_100000185863 [0,1,1,0,0,0|1,0,0]=3 1531 B13R1.1 CCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210202 [0,1,1,0,0,0|1,0,0]=3 1532 B13R1.1 CCNC(CC)c1ccc(cc1)Cl 269862a_100015525214_100000210983 [0,1,1,0,0,0|1,0,0]=3 1533 B13R1.1 CCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210202 [0,1,1,0,0,0|1,0,0]=3 1534 B13R1.1 CCNC(CC)c1ccc(cc1)F 269862a_100015525214_100000211089 [0,1,1,0,0,0|1,0,0]=3 1535 B13R1.1 CCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210202 [0,1,1,0,0,0|1,0,0]=3 1536 B13R1.1 CCNC(CC)c1ccc(cc1)I 269862a_100015525214_100000763097 [0,1,1,0,0,0|1,0,0]=3 1537 B13R1.1 CCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210202 [0,1,1,0,0,0|1,0,0]=3 1538 B13R1.1 CCNC(CC)c1ccc(cn1)Br 269862a_100015525214_100012351654 [0,1,1,0,0,0|2,0,0]=4 1539 B13R1.1 CCNC(CC)c1ccc(cn1)Br 270004a_100015525214_100012351654 [0,1,1,0,0,0|2,0,0]=4 1540 B13R1.1 CCNC(CC)c1ccc(cn1)C 2230a_100015185231_100000210202 [0,1,1,0,0,0|2,0,0]=4 1541 B13R1.1 CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210202 [0,1,1,0,0,0|2,0,0]=4 1542 B13R1.1 CCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,1,1,0,0,0|2,0,0]=4 1543 B13R1.1 CCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210202 [0,1,1,0,0,0|2,0,0]=4 1544 B13R1.1 CCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210202 [0,1,1,0,0,0|2,0,0]=4 1545 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210202 [0,1,1,0,0,0|1,0,0]=3 1546 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210202 [0,1,1,0,0,0|1,0,0]=3 1547 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210202 [0,1,1,0,0,0|1,0,0]=3 1548 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210202 [0,1,1,0,0,0|1,0,0]=3 1549 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210202 [0,1,1,0,0,0|2,0,0]=4 1550 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210202 [0,1,1,0,0,0|2,0,0]=4 1551 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210202 [0,1,1,0,0,0|2,0,0]=4 1552 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,1,1,0,0,0|2,0,0]=4 1553 B13R1.1 CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210202 [0,1,1,0,0,0|2,0,0]=4 1554 B13R1.1 CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210202 [0,1,1,0,0,0|2,0,0]=4 1555 B13R1.1 CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210202 [0,1,1,0,0,0|2,0,0]=4 1556 B13R1.1 CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210202 [0,1,1,0,0,0|2,0,0]=4 1557 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210202 [0,1,1,0,0,0|2,0,0]=4 1558 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210202 [0,1,1,0,0,0|2,0,0]=4 1559 B13R1.1 CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210202 [0,1,1,0,0,0|2,0,0]=4 1560 B13R1.1 CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210202 [0,1,1,0,0,0|2,0,0]=4 1561 B13R1.1 CC[C@H](NCF)c1ccc(cc1)Br 34a_100025736560_100015361967 [0,1,1,0,0,0|2,0,0]=4 1562 B13R1.1 CC[C@H](NCF)c1ccc(cc1)Cl 34a_100015186824_100015361967 [0,1,1,0,0,0|2,0,0]=4 1563 B13R1.1 CNC(CCO)c1ccc(cc1)C 2230a_100011661551_200000210301 [0,1,1,0,0,0|2,0,0]=4 1564 B13R1.1 CNC(CCO)c1ccc(cc1)C 34a_100011661551_200000210301 [0,1,1,0,0,0|2,0,0]=4 1565 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200000210301 [0,1,1,0,0,0|2,0,0]=4 1566 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,1,1,0,0,0|2,0,0]=4 1567 B13R1.1 CNC(CCO)c1ccc(cc1)F 2230a_100000752280_200000210301 [0,1,1,0,0,0|2,0,0]=4 1568 B13R1.1 CNC(CCO)c1ccc(cc1)F 34a_100000752280_200000210301 [0,1,1,0,0,0|2,0,0]=4 1569 B13R1.1 CNC(COC)c1ccc(cc1)Br 269862a_106832991636_200011343064 [0,1,1,0,0,0|2,0,0]=4 1570 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200000210301 [0,1,1,0,0,0|2,0,0]=4 1571 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,1,1,0,0,0|2,0,0]=4 1572 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 2230a_100011661551_200025704644 [0,1,1,0,0,0|2,0,0]=4 1573 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 34a_100011661551_200025704644 [0,1,1,0,0,0|2,0,0]=4 1574 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200025704644 [0,1,1,0,0,0|2,0,0]=4 1575 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,1,1,0,0,0|2,0,0]=4 1576 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 2230a_100000752280_200025704644 [0,1,1,0,0,0|2,0,0]=4 1577 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 34a_100000752280_200025704644 [0,1,1,0,0,0|2,0,0]=4 1578 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200025704644 [0,1,1,0,0,0|2,0,0]=4 1579 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,1,1,0,0,0|2,0,0]=4 1580 B13R1.2 CCC(NCF)c1cccc(c1)Cl 34a_100000737531_100015361967 [0,1,1,0,0,0|2,0,0]=4 1581 B13R1.2 CCC(NCF)c1cccc(c1)F 34a_100159265421_100015361967 [0,1,1,0,0,0|2,0,0]=4 1582 B13R1.2 CCC(NCF)c1cccc(c1)O 34a_100159312145_100015361967 [0,1,1,0,0,0|2,0,0]=4 1583 B13R1.2 CCNC(CC)c1cc(ccn1)Cl 269862a_100015525214_200000094848 [0,1,1,0,0,0|2,0,0]=4 1584 B13R1.2 CCNC(CC)c1cc(ccn1)Cl 270004a_100015525214_200000094848 [0,1,1,0,0,0|2,0,0]=4 1585 B13R1.2 CCNC(CC)c1cccc(c1)Br 269862a_100015525214_100000211677 [0,1,1,0,0,0|1,0,0]=3 1586 B13R1.2 CCNC(CC)c1cccc(c1)C 269862a_100015525214_100000730664 [0,1,1,0,0,0|1,0,0]=3 1587 B13R1.2 CCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210202 [0,1,1,0,0,0|1,0,0]=3 1588 B13R1.2 CCNC(CC)c1cccc(c1)Cl 269862a_100015525214_100000211052 [0,1,1,0,0,0|1,0,0]=3 1589 B13R1.2 CCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000210202 [0,1,1,0,0,0|1,0,0]=3 1590 B13R1.2 CCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210202 [0,1,1,0,0,0|1,0,0]=3 1591 B13R1.2 CCNC(CC)c1cccc(c1)F 269862a_100015525214_100000687998 [0,1,1,0,0,0|1,0,0]=3 1592 B13R1.2 CCNC(CC)c1cccc(c1)F 34a_100159265421_100000210202 [0,1,1,0,0,0|1,0,0]=3 1593 B13R1.2 CCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210202 [0,1,1,0,0,0|1,0,0]=3 1594 B13R1.2 CCNC(CC)c1cccc(c1)O 269862a_100015525214_100011996911 [0,1,1,0,0,0|1,0,0]=3 1595 B13R1.2 CCNC(CC)c1cccc(c1)O 34a_100159312145_100000210202 [0,1,1,0,0,0|1,0,0]=3 1596 B13R1.2 CCNC(CC)c1cccc(n1)Br 269862a_100015525214_100011004013 [0,1,1,0,0,0|2,0,0]=4 1597 B13R1.2 CCNC(CC)c1cccc(n1)C 2230a_100161156280_100000210202 [0,1,1,0,0,0|2,0,0]=4 1598 B13R1.2 CCNC(CC)c1cncc(c1)F 269862a_100015525214_100011491000 [0,1,1,0,0,0|0,0,0]=2 1599 B13R1.2 CCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000210202 [0,1,1,0,0,0|2,0,0]=4 1600 B13R1.2 CCNC(CO)c1cccc(c1)Br 34a_100000690078_100000210202 [0,1,1,0,0,0|2,0,0]=4 1601 B13R1.2 CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210202 [0,1,1,0,0,0|2,0,0]=4 1602 B13R1.2 CCNC(CO)c1cccc(c1)O 34a_100025717460_100000210202 [0,1,1,0,0,0|2,0,0]=4 1603 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210202 [0,1,1,0,0,0|1,0,0]=3 1604 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000210202 [0,1,1,0,0,0|1,0,0]=3 1605 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210202 [0,1,1,0,0,0|2,0,0]=4 1606 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,1,1,0,0,0|2,0,0]=4 1607 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210202 [0,1,1,0,0,0|1,0,0]=3 1608 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210202 [0,1,1,0,0,0|1,0,0]=3 1609 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210202 [0,1,1,0,0,0|2,0,0]=4 1610 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210202 [0,1,1,0,0,0|2,0,0]=4 1611 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210202 [0,1,1,0,0,0|2,0,0]=4 1612 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210202 [0,1,1,0,0,0|2,0,0]=4 1613 B13R1.2 CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210202 [0,1,1,0,0,0|2,0,0]=4 1614 B13R1.2 CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210202 [0,1,1,0,0,0|2,0,0]=4 1615 B13R1.2 CCOC(CC)c1cccc(c1)F 34a_100011350881_100000210202 [0,1,1,0,0,0|2,0,0]=4 1616 B13R1.2 CCOC(CC)c1cccc(c1)F 7a_100011350881_100000210202 [0,1,1,0,0,0|2,0,0]=4 1617 B13R1.2 CCOC(CC)c1cccc(c1)I 34a_200013212081_100000210202 [0,1,1,0,0,0|2,0,0]=4 1618 B13R1.2 CCOC(CC)c1cccc(c1)I 7a_200013212081_100000210202 [0,1,1,0,0,0|2,0,0]=4 1619 B13R1.2 CC[C@@H](NCF)c1cccc(c1)C 34a_200016991486_100015361967 [0,1,1,0,0,0|2,0,0]=4 1620 B13R1.2 CC[C@H](NCF)c1cccc(c1)Br 34a_100102422761_100015361967 [0,1,1,0,0,0|2,0,0]=4 1621 B13R1.2 CNC(CCO)c1cccc(c1)Br 2230a_200011661555_200000210301 [0,1,1,0,0,0|2,0,0]=4 1622 B13R1.2 CNC(CCO)c1cccc(c1)Br 34a_200011661555_200000210301 [0,1,1,0,0,0|2,0,0]=4 1623 B13R1.2 CNC(CCO)c1cccc(c1)C 2230a_100011661531_200000210301 [0,1,1,0,0,0|2,0,0]=4 1624 B13R1.2 CNC(CCO)c1cccc(c1)C 34a_100011661531_200000210301 [0,1,1,0,0,0|2,0,0]=4 1625 B13R1.2 CNC(CCO)c1cccc(c1)Cl 2230a_200011661548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1626 B13R1.2 CNC(CCO)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1627 B13R1.2 CNC(CCO)c1cccc(c1)F 2230a_100011661530_200000210301 [0,1,1,0,0,0|2,0,0]=4 1628 B13R1.2 CNC(CCO)c1cccc(c1)F 34a_100011661530_200000210301 [0,1,1,0,0,0|2,0,0]=4 1629 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200000210301 [0,1,1,0,0,0|2,0,0]=4 1630 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200000210301 [0,1,1,0,0,0|2,0,0]=4 1631 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 2230a_100011661531_200025704644 [0,1,1,0,0,0|2,0,0]=4 1632 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 34a_100011661531_200025704644 [0,1,1,0,0,0|2,0,0]=4 1633 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 2230a_200011661555_200025704644 [0,1,1,0,0,0|2,0,0]=4 1634 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 34a_200011661555_200025704644 [0,1,1,0,0,0|2,0,0]=4 1635 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 2230a_200011661548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1636 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1637 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 2230a_100011661530_200025704644 [0,1,1,0,0,0|2,0,0]=4 1638 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 34a_100011661530_200025704644 [0,1,1,0,0,0|2,0,0]=4 1639 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200025704644 [0,1,1,0,0,0|2,0,0]=4 1640 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200025704644 [0,1,1,0,0,0|2,0,0]=4 1641 B13R1.26 C#CCNC(CC)c1ccccc1 2230a_100000737752_100000038162 [0,1,1,0,0,0|1,0,1]=4 1642 B13R1.26 C#CCNC(CC)c1cccnc1 2230a_100000246009_100000038162 [0,1,1,0,0,0|0,0,1]=3 1643 B13R1.26 C#CCNC(CC)c1cnccn1 2230a_200016994365_100000038162 [0,1,1,0,0,0|1,0,1]=4 1644 B13R1.26 C=CCNC(CC)c1ccccc1 2230a_100000737752_100000210623 [0,1,1,0,0,0|1,0,1]=4 1645 B13R1.26 C=CCNC(CC)c1cccnc1 2230a_100000246009_100000210623 [0,1,1,0,0,0|0,0,1]=3 1646 B13R1.26 C=CCNC(CC)c1cnccn1 2230a_200016994365_100000210623 [0,1,1,0,0,0|1,0,1]=4 1647 B13R1.26 CCC(NCC#N)c1ccccc1 2230a_100000737752_100011215382 [0,1,1,0,0,0|1,0,1]=4 1648 B13R1.26 CCC(NCC#N)c1cccnc1 2230a_100000246009_100011215382 [0,1,1,0,0,0|0,0,1]=3 1649 B13R1.26 CCC(NCC#N)c1cnccn1 2230a_200016994365_100011215382 [0,1,1,0,0,0|1,0,1]=4 1650 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [0,1,1,0,0,0|1,0,1]=4 1651 B13R1.26 CCC(NCC=O)c1cccnc1 2230a_100000246009_200015260668 [0,1,1,0,0,0|0,0,1]=3 1652 B13R1.26 CCC(NCC=O)c1cnccn1 2230a_200016994365_200015260668 [0,1,1,0,0,0|1,0,1]=4 1653 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,1,1,0,0,0|1,0,0]=3 1654 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,1,1,0,0,0|1,0,0]=3 1655 B13R1.26 CCC(NCCF)c1ccccn1 2230a_100015186561_100011217306 [0,1,1,0,0,0|2,0,0]=4 1656 B13R1.26 CCC(NCCF)c1ccccn1 269862a_100000724931_100000748178 [0,1,1,0,0,0|2,0,0]=4 1657 B13R1.26 CCC(NCCF)c1cccnc1 2230a_100000246009_100011217306 [0,1,1,0,0,0|0,0,0]=2 1658 B13R1.26 CCC(NCCF)c1cccnc1 269862a_100000724931_100011218761 [0,1,1,0,0,0|0,0,0]=2 1659 B13R1.26 CCC(NCCF)c1ccncc1 269862a_100000724931_100011216016 [0,1,1,0,0,0|2,0,0]=4 1660 B13R1.26 CCC(NCCF)c1cnccn1 2230a_200016994365_100011217306 [0,1,1,0,0,0|1,0,0]=3 1661 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,1,1,0,0,0|1,0,0]=3 1662 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,1,1,0,0,0|1,0,0]=3 1663 B13R1.26 CCC(NCCO)c1ccccn1 2230a_100015186561_100000211926 [0,1,1,0,0,0|2,0,0]=4 1664 B13R1.26 CCC(NCCO)c1ccccn1 269862a_100000210304_100000748178 [0,1,1,0,0,0|2,0,0]=4 1665 B13R1.26 CCC(NCCO)c1cccnc1 2230a_100000246009_100000211926 [0,1,1,0,0,0|0,0,0]=2 1666 B13R1.26 CCC(NCCO)c1cccnc1 269862a_100000210304_100011218761 [0,1,1,0,0,0|0,0,0]=2 1667 B13R1.26 CCC(NCCO)c1ccncc1 269862a_100000210304_100011216016 [0,1,1,0,0,0|2,0,0]=4 1668 B13R1.26 CCC(NCCO)c1cnccn1 2230a_200016994365_100000211926 [0,1,1,0,0,0|1,0,0]=3 1669 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [0,1,1,0,0,0|1,0,0]=3 1670 B13R1.26 CCC(NCOC)c1ccccn1 2230a_100015186561_100000766300 [0,1,1,0,0,0|2,0,0]=4 1671 B13R1.26 CCC(NCOC)c1cccnc1 2230a_100000246009_100000766300 [0,1,1,0,0,0|0,0,0]=2 1672 B13R1.26 CCC(NCOC)c1cnccn1 2230a_200016994365_100000766300 [0,1,1,0,0,0|1,0,0]=3 1673 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [0,1,1,0,0,0|1,0,0]=3 1674 B13R1.26 CCC(NCSC)c1ccccn1 2230a_100015186561_100011218213 [0,1,1,0,0,0|2,0,0]=4 1675 B13R1.26 CCC(NCSC)c1cccnc1 2230a_100000246009_100011218213 [0,1,1,0,0,0|0,0,0]=2 1676 B13R1.26 CCC(NCSC)c1cnccn1 2230a_200016994365_100011218213 [0,1,1,0,0,0|1,0,0]=3 1677 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1678 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,1,1,0,0,0|2,0,0]=4 1681 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,1,1,0,0,0|2,0,0]=4 1682 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,1,1,0,0,0|1,0,0]=3 1683 B13R1.26 CCCCC(NC)c1cccnc1 2230a_200011711859_200000210301 [0,1,1,0,0,0|0,0,0]=2 1684 B13R1.26 CCCCC(NC)c1cccnc1 269862a_106832991636_200011709925 [0,1,1,0,0,0|0,0,0]=2 1685 B13R1.26 CCCCC(NC)c1ccncc1 2230a_100015203128_200000210301 [0,1,1,0,0,0|2,0,0]=4 1686 B13R1.26 CCCCC(N[13CH3])c1cccnc1 2230a_200011711859_200025704644 [0,1,1,0,0,0|0,0,0]=2 1687 B13R1.26 CCCCC(N[13CH3])c1ccncc1 2230a_100015203128_200025704644 [0,1,1,0,0,0|2,0,0]=4 1688 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,1,1,0,0,0|2,0,0]=4 1689 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,1,1,0,0,0|2,0,0]=4 1690 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,1,1,0,0,0|2,0,0]=4 1691 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,1,1,0,0,0|2,0,0]=4 1692 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,1,1,0,0,0|1,0,0]=3 1693 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,1,1,0,0,0|1,0,0]=3 1694 B13R1.26 CCCNC(CC)c1ccccn1 2230a_100015186561_100000210303 [0,1,1,0,0,0|2,0,0]=4 1695 B13R1.26 CCCNC(CC)c1ccccn1 269862a_100020643023_100000748178 [0,1,1,0,0,0|2,0,0]=4 1696 B13R1.26 CCCNC(CC)c1cccnc1 2230a_100000246009_100000210303 [0,1,1,0,0,0|0,0,0]=2 1697 B13R1.26 CCCNC(CC)c1cccnc1 269862a_100020643023_100011218761 [0,1,1,0,0,0|0,0,0]=2 1698 B13R1.26 CCCNC(CC)c1ccncc1 269862a_100020643023_100011216016 [0,1,1,0,0,0|2,0,0]=4 1699 B13R1.26 CCCNC(CC)c1cnccn1 2230a_200016994365_100000210303 [0,1,1,0,0,0|1,0,0]=3 1700 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,1,1,0,0,0|2,0,0]=4 1701 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,1,1,0,0,0|2,0,0]=4 1702 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1703 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1704 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,1,1,0,0,0|1,0,0]=3 1705 B13R1.26 CCNN=C(CC)c1ccccc1 4a_100000756455_100000210124 [0,1,1,0,0,0|1,0,1]=4 1706 B13R1.26 CCNN=C(CC)c1cccnc1 4a_100000756455_100011218761 [0,1,1,0,0,0|0,0,1]=3 1707 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,1,1,0,0,0|2,0,0]=4 1708 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,1,1,0,0,0|2,0,0]=4 1709 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,1,1,0,0,0|2,0,0]=4 1710 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,1,1,0,0,0|2,0,0]=4 1711 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,1,1,0,0,0|1,0,0]=3 1712 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,1,1,0,0,0|1,0,0]=3 1713 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,1,1,0,0,0|1,0,0]=3 1714 B13R1.26 COCN[C@H](CO)c1ccccc1 2230a_100000751927_100000766300 [0,1,1,0,0,0|2,0,0]=4 1715 B13R1.26 CSCN[C@H](CO)c1ccccc1 2230a_100000751927_100011218213 [0,1,1,0,0,0|2,0,0]=4 1716 B13R1.26 CSCN[C@H](CO)c1ccccc1 34a_100000751927_100011218213 [0,1,1,0,0,0|2,0,0]=4 1717 B13R1.26 OCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000211926 [0,1,1,0,0,0|2,0,0]=4 1718 B13R1.26 OCCN[C@H](CO)c1ccccc1 34a_100000751927_100000211926 [0,1,1,0,0,0|2,0,0]=4 1719 B13R1.26 OC[C@@H](NCCF)c1ccccc1 2230a_100000751927_100011217306 [0,1,1,0,0,0|2,0,0]=4 1720 B13R1.26 OC[C@@H](NCCF)c1ccccc1 34a_100000751927_100011217306 [0,1,1,0,0,0|2,0,0]=4 1721 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,1,1,0,0,0|1,0,0]=3 1722 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,1,1,0,0,0|1,0,0]=3 1723 B13R1.173 CCCC(NC)c1ccccc1Cl 269862a_106832991636_100011400565 [0,1,1,0,0,0|1,0,0]=3 1724 B13R1.173 CCNC(CC)c1ccccc1C 269862a_100015525214_100011350723 [0,1,1,0,0,0|1,0,0]=3 1725 B13R1.173 CCNC(CC)c1ccccc1Cl 269862a_100015525214_100011400563 [0,1,1,0,0,0|1,0,0]=3 1726 B13R1.173 CCNC(CC)c1ccccc1F 269862a_100015525214_100000686739 [0,1,1,0,0,0|1,0,0]=3 1727 B13R1.173 CCNC(CC)c1ncccc1C 2230a_200011536107_100000210202 [0,1,1,0,0,0|2,0,0]=4 1728 B13R1.173 CCNC(CC)c1ncccc1C 269862a_100015525214_100000725274 [0,1,1,0,0,0|2,0,0]=4 1729 B13R1.173 CCNC(CO)c1ccccc1Cl 2230a_100138412506_100000210202 [0,1,1,0,0,0|2,0,0]=4 1730 B13R1.173 CCNC(CO)c1ccccc1Cl 34a_100138412506_100000210202 [0,1,1,0,0,0|2,0,0]=4 1731 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210202 [0,1,1,0,0,0|1,0,0]=3 1732 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210202 [0,1,1,0,0,0|1,0,0]=3 1733 B13R1.173 CCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210202 [0,1,1,0,0,0|1,0,0]=3 1734 B13R1.173 CCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000210202 [0,1,1,0,0,0|1,0,0]=3 1735 B13R1.173 CCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000210202 [0,1,1,0,0,0|2,0,0]=4 1736 B13R1.173 CCN[C@@H](CO)c1ccccc1F 34a_100009818778_100000210202 [0,1,1,0,0,0|2,0,0]=4 1737 B13R1.173 CCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000210202 [0,1,1,0,0,0|2,0,0]=4 1738 B13R1.173 CCN[C@H](CO)c1ccccc1Br 34a_100161155918_100000210202 [0,1,1,0,0,0|2,0,0]=4 1739 B13R1.173 CCOC(CC)c1ccccc1F 34a_200011689290_100000210202 [0,1,1,0,0,0|2,0,0]=4 1740 B13R1.173 CCOC(CC)c1ccccc1F 7a_200011689290_100000210202 [0,1,1,0,0,0|2,0,0]=4 1741 B13R1.173 CC[C@H](NCF)c1ccccc1Cl 34a_200016987949_100015361967 [0,1,1,0,0,0|2,0,0]=4 1742 B13R1.173 CC[C@H](NCF)c1ccccc1F 34a_100015190424_100015361967 [0,1,1,0,0,0|2,0,0]=4 1743 B13R1.173 CNC(CCO)c1ccccc1Cl 2230a_100011661560_200000210301 [0,1,1,0,0,0|2,0,0]=4 1744 B13R1.173 CNC(CCO)c1ccccc1Cl 34a_100011661560_200000210301 [0,1,1,0,0,0|2,0,0]=4 1745 B13R1.173 CNC(CCO)c1ccccc1F 2230a_100011661569_200000210301 [0,1,1,0,0,0|2,0,0]=4 1746 B13R1.173 CNC(CCO)c1ccccc1F 34a_100011661569_200000210301 [0,1,1,0,0,0|2,0,0]=4 1747 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 2230a_100011661560_200025704644 [0,1,1,0,0,0|2,0,0]=4 1748 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 34a_100011661560_200025704644 [0,1,1,0,0,0|2,0,0]=4 1749 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 2230a_100011661569_200025704644 [0,1,1,0,0,0|2,0,0]=4 1750 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 34a_100011661569_200025704644 [0,1,1,0,0,0|2,0,0]=4 1751 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [0,1,1,0,0,0|1,0,0]=3 1752 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [0,1,1,0,0,0|1,0,0]=3 1753 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [0,1,1,0,0,0|1,0,0]=3 1754 B13R1.398 CCCC(NCC)c1ccccn1 269862a_100015525214_100000751832 [0,1,1,0,0,0|2,0,0]=4 1755 B13R1.398 CCCC(NCC)c1cccnc1 2230a_100011351308_100000210202 [0,1,1,0,0,0|0,0,0]=2 1756 B13R1.398 CCCC(NCC)c1cccnc1 269862a_100015525214_100000700227 [0,1,1,0,0,0|0,0,0]=2 1757 B13R1.398 CCCC(NCC)c1ccncc1 269862a_100015525214_100011350605 [0,1,1,0,0,0|2,0,0]=4 1758 B13R1.398 CCCC(NCF)c1ccccc1 34a_100000189686_100015361967 [0,1,1,0,0,0|1,0,0]=3 1759 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,1,1,0,0,0|2,0,0]=4 1760 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,1,1,0,0,0|2,0,0]=4 1761 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [0,1,1,0,0,0|2,0,0]=4 1762 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [0,1,1,0,0,0|2,0,0]=4 1763 B13R1.398 CCNC(CCCl)c1ccccc1 2230a_100015525214_200010132975 [0,1,1,0,0,0|1,0,0]=3 1764 B13R1.398 CCNC(COC)c1ccccc1 269862a_100015525214_100000765260 [0,1,1,0,0,0|1,0,0]=3 1765 B13R1.398 CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210202 [0,1,1,0,0,0|1,0,0]=3 1766 B13R1.398 CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210202 [0,1,1,0,0,0|1,0,0]=3 1767 B13R1.398 CCN[C@H](COC)c1ccccc1 34a_103619048568_100000210202 [0,1,1,0,0,0|1,0,0]=3 1768 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,1,1,0,0,0|2,0,0]=4 1769 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,1,1,0,0,0|2,0,0]=4 1770 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,1,1,0,0,0|2,0,0]=4 1771 B13R1.398 CCSC(CCCl)c1ccccc1 62a_100000210202_200010132975 [0,1,1,0,0,0|2,0,0]=4 1772 B13R1.398 CCSC(CCCl)c1ccccc1 62a_200010132975_100000210202 [0,1,1,0,0,0|2,0,0]=4 1773 B13R1.398 COC[C@@H](NCF)c1ccccc1 34a_103619048568_100015361967 [0,1,1,0,0,0|2,0,0]=4 1774 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,1,1,0,0,0|2,0,0]=4 1775 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,1,1,0,0,0|2,0,0]=4 1776 B13R1.402 CCOC(C)(CC)c1ccccc1 7a_100000748282_100000210202 [0,1,1,0,0,0|2,0,0]=4 1777 B13R1.405 CC(C)[C@H](NCF)c1ccccc1 34a_100015186014_100015361967 [0,1,1,0,0,0|2,0,0]=4 1778 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [0,1,1,0,0,0|1,0,1]=4 1779 B13R1.405 CCNC(c1ccccn1)C(C)C 2230a_100015183375_100000210202 [0,1,1,0,0,0|2,0,0]=4 1780 B13R1.405 CCNC(c1ccccn1)C(C)C 269862a_100015525214_100011350566 [0,1,1,0,0,0|2,0,0]=4 1781 B13R1.405 CCNC(c1cccnc1)C(C)C 2230a_100015185317_100000210202 [0,1,1,0,0,0|0,0,0]=2 1782 B13R1.405 CCNC(c1ccncc1)C(C)C 2230a_100000755331_100000210202 [0,1,1,0,0,0|2,0,0]=4 1783 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [0,1,1,0,0,0|1,0,0]=3 1784 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210202 [0,1,1,0,0,0|1,0,0]=3 1785 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210202 [0,1,1,0,0,0|1,0,0]=3 1786 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [0,1,1,0,0,0|2,0,0]=4 1787 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [0,1,1,0,0,0|2,0,0]=4 1788 B13R1.405 CN(C)C(CCCl)c1ccccc1 2230a_100102631434_200010132975 [0,1,1,0,0,0|2,0,0]=4 1789 B13R1.405 CN(C)C(CCCl)c1ccccc1 269982a_100102631434_200010132975 [0,1,1,0,0,0|2,0,0]=4 1790 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,1,1,0,0,0|2,0,0]=4 1791 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,1,1,0,0,0|1,0,0]=3 1792 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,1,1,0,0,0|1,0,0]=3 1793 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [0,1,1,0,0,0|1,0,0]=3 1794 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [0,1,1,0,0,0|1,0,0]=3 1795 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [0,1,1,0,0,0|1,0,0]=3 1796 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [0,1,1,0,0,0|1,0,0]=3 1797 B13R1.532 CCC(c1ccccc1)N(C)CF 269982a_100000737544_100015361967 [0,1,1,0,0,0|2,0,0]=4 1798 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [0,1,1,0,0,0|1,0,0]=3 1799 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [0,1,1,0,0,0|1,0,0]=3 1800 B13R1.532 CCC(c1ccccn1)N(C)CC 2230a_100011351527_100000210202 [0,1,1,0,0,0|2,0,0]=4 1801 B13R1.532 CCC(c1ccccn1)N(C)CC 269982a_100011351527_100000204670 [0,1,1,0,0,0|2,0,0]=4 1802 B13R1.532 CCC(c1cccnc1)N(C)CC 2230a_200011351541_100000210202 [0,1,1,0,0,0|0,0,0]=2 1803 B13R1.532 CCC(c1cccnc1)N(C)CC 269982a_200011351541_100000204670 [0,1,1,0,0,0|0,0,0]=2 1804 B13R1.532 CCC(c1cccnc1)N(C)CF 269982a_200011351541_100015361967 [0,1,1,0,0,0|1,0,0]=3 1805 B13R1.713 CC(C)CC(N[13CH3])c1ccccn1 2230a_100159271263_200025704644 [0,1,1,0,0,0|2,0,0]=4 1806 B13R1.713 CC(C)CC(N[13CH3])c1cccnc1 2230a_200011351310_200025704644 [0,1,1,0,0,0|0,0,0]=2 1807 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,1,1,0,0,0|1,0,0]=3 1808 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,1,1,0,0,0|2,0,0]=4 1809 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,1,1,0,0,0|2,0,0]=4 1810 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [0,1,1,0,0,0|1,0,1]=4 1811 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [0,1,1,0,0,0|1,0,1]=4 1812 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [0,1,1,0,0,0|1,0,1]=4 1813 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [0,1,1,0,0,0|1,0,1]=4 1814 B13R1.713 CCC(NC(=O)C)c1cccnc1 11a_100000246009_100015343762 [0,1,1,0,0,0|0,0,1]=3 1815 B13R1.713 CCC(NC(=O)C)c1cccnc1 1626a_100000246009_100015343762 [0,1,1,0,0,0|0,0,1]=3 1816 B13R1.713 CCC(NC(=O)C)c1cccnc1 240690a_100000246009_100015343762 [0,1,1,0,0,0|0,0,1]=3 1817 B13R1.713 CCC(NC(=O)C)c1cccnc1 527a_100000246009_100103153847 [0,1,1,0,0,0|0,0,1]=3 1818 B13R1.713 CCC(NC(=O)C)c1cnccn1 11a_200016994365_100015343762 [0,1,1,0,0,0|1,0,1]=4 1819 B13R1.713 CCC(NC(=O)C)c1cnccn1 1626a_200016994365_100015343762 [0,1,1,0,0,0|1,0,1]=4 1820 B13R1.713 CCC(NC(=O)C)c1cnccn1 240690a_200016994365_100015343762 [0,1,1,0,0,0|1,0,1]=4 1821 B13R1.713 CCC(NC(=O)C)c1cnccn1 527a_200016994365_100103153847 [0,1,1,0,0,0|1,0,1]=4 1822 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,1,1,0,0,0|1,0,0]=3 1823 B13R1.713 CCC(NC(C)C)c1ccccn1 2230a_100015186561_100000210206 [0,1,1,0,0,0|2,0,0]=4 1824 B13R1.713 CCC(NC(C)C)c1cccnc1 2230a_100000246009_100000210206 [0,1,1,0,0,0|0,0,0]=2 1825 B13R1.713 CCC(NC(C)C)c1cnccn1 2230a_200016994365_100000210206 [0,1,1,0,0,0|1,0,0]=3 1826 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,1,1,0,0,0|2,0,0]=4 1827 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,1,1,0,0,0|2,0,0]=4 1828 B13R1.713 CNC(CC(=O)O)c1cccnc1 269956a_100000239604_200000210301 [0,1,1,0,0,0|1,0,1]=4 1829 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,1,1,0,0,0|1,0,0]=3 1830 B13R1.713 CNC(CC(C)C)c1ccccn1 2230a_100159271263_200000210301 [0,1,1,0,0,0|2,0,0]=4 1831 B13R1.713 CNC(CC(C)C)c1ccccn1 269862a_106832991636_100000685706 [0,1,1,0,0,0|2,0,0]=4 1832 B13R1.713 CNC(CC(C)C)c1cccnc1 2230a_200011351310_200000210301 [0,1,1,0,0,0|0,0,0]=2 1833 B13R1.713 CNC(CC(C)C)c1cccnc1 269862a_106832991636_100011350585 [0,1,1,0,0,0|0,0,0]=2 1834 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,1,1,0,0,0|1,0,0]=3 1835 B13R1.713 [13CH3]NC(CC(=O)O)c1cccnc1 269956a_100000239604_200025704644 [0,1,1,0,0,0|1,0,1]=4 1836 B13R1.6 BrCCCOCc1cncc(c1)Br 34a_100011217188_100000738771 [0,1,1,0,0,0|2,0,0]=4 1837 B13R1.6 C#CCCNCc1cncc(c1)Br 34a_100000755551_100000738771 [0,1,1,0,0,0|0,0,2]=4 1838 B13R1.6 C#CCCNCc1cncc(c1)C 2230a_100000692839_100000688953 [0,1,1,0,0,0|0,0,2]=4 1839 B13R1.6 C#CCCNCc1cncc(c1)C 34a_100000692839_100000688953 [0,1,1,0,0,0|0,0,2]=4 1840 B13R1.6 C#CCCNCc1cncc(c1)C 34a_100000755551_100000716715 [0,1,1,0,0,0|0,0,2]=4 1841 B13R1.6 C#CCCNCc1cncc(c1)Cl 2230a_200020614424_100000688953 [0,1,1,0,0,0|0,0,2]=4 1842 B13R1.6 C#CCCNCc1cncc(c1)Cl 34a_100000755551_100016992070 [0,1,1,0,0,0|0,0,2]=4 1843 B13R1.6 C#CCCNCc1cncc(c1)F 2230a_100011962886_100000688953 [0,1,1,0,0,0|0,0,2]=4 1844 B13R1.6 C#CCCNCc1cncc(c1)F 34a_100000755551_100000725299 [0,1,1,0,0,0|0,0,2]=4 1845 B13R1.6 C#CCCNCc1cncc(c1)F 34a_100011962886_100000688953 [0,1,1,0,0,0|0,0,2]=4 1846 B13R1.6 C/C=C/CNCc1cncc(c1)C 34a_100000692839_100102629194 [0,1,1,0,0,0|0,0,2]=4 1847 B13R1.6 C/C=C/CNCc1cncc(c1)F 34a_100011962886_100102629194 [0,1,1,0,0,0|0,0,2]=4 1848 B13R1.6 C=CCCNCc1cncc(c1)Br 207a_100015191253_100000687066 [0,1,1,0,0,0|0,0,2]=4 1849 B13R1.6 C=CCCNCc1cncc(c1)Br 2230a_100015191253_100000738771 [0,1,1,0,0,0|0,0,2]=4 1850 B13R1.6 C=CCCNCc1cncc(c1)Br 270004a_100015191253_100000687066 [0,1,1,0,0,0|0,0,2]=4 1851 B13R1.6 C=CCCNCc1cncc(c1)C 207a_100015191253_100011998712 [0,1,1,0,0,0|0,0,2]=4 1852 B13R1.6 C=CCCNCc1cncc(c1)C 2230a_100000692839_100000754431 [0,1,1,0,0,0|0,0,2]=4 1853 B13R1.6 C=CCCNCc1cncc(c1)C 2230a_100015191253_100000716715 [0,1,1,0,0,0|0,0,2]=4 1854 B13R1.6 C=CCCNCc1cncc(c1)C 270004a_100015191253_100011998712 [0,1,1,0,0,0|0,0,2]=4 1855 B13R1.6 C=CCCNCc1cncc(c1)C 34a_100000692839_100000754431 [0,1,1,0,0,0|0,0,2]=4 1856 B13R1.6 C=CCCNCc1cncc(c1)Cl 207a_100015191253_100000088910 [0,1,1,0,0,0|0,0,2]=4 1857 B13R1.6 C=CCCNCc1cncc(c1)Cl 2230a_100015191253_100016992070 [0,1,1,0,0,0|0,0,2]=4 1858 B13R1.6 C=CCCNCc1cncc(c1)Cl 2230a_200020614424_100000754431 [0,1,1,0,0,0|0,0,2]=4 1859 B13R1.6 C=CCCNCc1cncc(c1)Cl 270004a_100015191253_100000088910 [0,1,1,0,0,0|0,0,2]=4 1860 B13R1.6 C=CCCNCc1cncc(c1)F 207a_100015191253_100011361476 [0,1,1,0,0,0|0,0,2]=4 1861 B13R1.6 C=CCCNCc1cncc(c1)F 2230a_100011962886_100000754431 [0,1,1,0,0,0|0,0,2]=4 1862 B13R1.6 C=CCCNCc1cncc(c1)F 2230a_100015191253_100000725299 [0,1,1,0,0,0|0,0,2]=4 1863 B13R1.6 C=CCCNCc1cncc(c1)F 270004a_100015191253_100011361476 [0,1,1,0,0,0|0,0,2]=4 1864 B13R1.6 C=CCCNCc1cncc(c1)F 34a_100011962886_100000754431 [0,1,1,0,0,0|0,0,2]=4 1865 B13R1.6 C=CCCNCc1cncc(c1)O 207a_100015191253_100012187055 [0,1,1,0,0,0|0,0,2]=4 1866 B13R1.6 C=CCCNCc1cncc(c1)O 270004a_100015191253_100012187055 [0,1,1,0,0,0|0,0,2]=4 1867 B13R1.6 CC#CCNCc1cncc(c1)Br 2230a_100000685387_100000738771 [0,1,1,0,0,0|0,0,2]=4 1868 B13R1.6 CC#CCNCc1cncc(c1)Br 34a_100000685387_100000738771 [0,1,1,0,0,0|0,0,2]=4 1869 B13R1.6 CC#CCNCc1cncc(c1)C 2230a_100000685387_100000716715 [0,1,1,0,0,0|0,0,2]=4 1870 B13R1.6 CC#CCNCc1cncc(c1)C 2230a_100000692839_100000748600 [0,1,1,0,0,0|0,0,2]=4 1871 B13R1.6 CC#CCNCc1cncc(c1)C 34a_100000685387_100000716715 [0,1,1,0,0,0|0,0,2]=4 1872 B13R1.6 CC#CCNCc1cncc(c1)C 34a_100000692839_100000748600 [0,1,1,0,0,0|0,0,2]=4 1873 B13R1.6 CC#CCNCc1cncc(c1)Cl 2230a_100000685387_100016992070 [0,1,1,0,0,0|0,0,2]=4 1874 B13R1.6 CC#CCNCc1cncc(c1)Cl 2230a_200020614424_100000748600 [0,1,1,0,0,0|0,0,2]=4 1875 B13R1.6 CC#CCNCc1cncc(c1)Cl 34a_100000685387_100016992070 [0,1,1,0,0,0|0,0,2]=4 1876 B13R1.6 CC#CCNCc1cncc(c1)F 2230a_100000685387_100000725299 [0,1,1,0,0,0|0,0,2]=4 1877 B13R1.6 CC#CCNCc1cncc(c1)F 2230a_100011962886_100000748600 [0,1,1,0,0,0|0,0,2]=4 1878 B13R1.6 CC#CCNCc1cncc(c1)F 34a_100000685387_100000725299 [0,1,1,0,0,0|0,0,2]=4 1879 B13R1.6 CC#CCNCc1cncc(c1)F 34a_100011962886_100000748600 [0,1,1,0,0,0|0,0,2]=4 1880 B13R1.6 CC=CCNCc1cncc(c1)C 2230a_100000692839_100000070051 [0,1,1,0,0,0|0,0,2]=4 1881 B13R1.6 CC=CCNCc1cncc(c1)C 34a_100000692839_100000070051 [0,1,1,0,0,0|0,0,2]=4 1882 B13R1.6 CC=CCNCc1cncc(c1)Cl 2230a_200020614424_100000070051 [0,1,1,0,0,0|0,0,2]=4 1883 B13R1.6 CC=CCNCc1cncc(c1)F 2230a_100011962886_100000070051 [0,1,1,0,0,0|0,0,2]=4 1884 B13R1.6 CC=CCNCc1cncc(c1)F 34a_100011962886_100000070051 [0,1,1,0,0,0|0,0,2]=4 1885 B13R1.6 CCCCC=Cc1cncc(c1)Br 271570a_100016275911_100000728054 [0,1,1,0,0,0|1,0,1]=4 1886 B13R1.6 CCCCC=Cc1cncc(c1)C 271570a_100016275911_100000760492 [0,1,1,0,0,0|1,0,1]=4 1887 B13R1.6 CCCCC=Cc1cncc(c1)Cl 271570a_100016275911_100000049639 [0,1,1,0,0,0|1,0,1]=4 1888 B13R1.6 CCCCC=Cc1cncc(c1)F 271570a_100016275911_100000744099 [0,1,1,0,0,0|1,0,1]=4 1889 B13R1.6 CCCCC=Cc1cncc(c1)N 271570a_100016275911_100000687067 [0,1,1,0,0,0|1,0,1]=4 1890 B13R1.6 CCCCC=Cc1cncc(c1)O 271570a_100016275911_100000754920 [0,1,1,0,0,0|1,0,1]=4 1891 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,1,1,0,0,0|2,0,0]=4 1892 B13R1.6 CCCCCOc1cncc(c1)Br 34a_100000754920_100000718602 [0,1,1,0,0,0|2,0,0]=4 1893 B13R1.6 CCCCCOc1cncc(c1)Br 7a_100000754920_100000210326 [0,1,1,0,0,0|2,0,0]=4 1894 B13R1.6 CCCCCOc1cncc(c1)C 34a_100011830280_100000718602 [0,1,1,0,0,0|2,0,0]=4 1895 B13R1.6 CCCCCOc1cncc(c1)C 7a_100011830280_100000210326 [0,1,1,0,0,0|2,0,0]=4 1896 B13R1.6 CCCCCOc1cncc(c1)Cl 7a_100000032511_100000210326 [0,1,1,0,0,0|2,0,0]=4 1897 B13R1.6 CCCCCOc1cncc(c1)F 34a_100011830296_100000718602 [0,1,1,0,0,0|2,0,0]=4 1898 B13R1.6 CCCCCOc1cncc(c1)F 7a_100011830296_100000210326 [0,1,1,0,0,0|2,0,0]=4 1899 B13R1.6 CCCCCOc1cncc(c1)N 34a_100011997051_100000718602 [0,1,1,0,0,0|2,0,0]=4 1900 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000210326_100000728054 [0,1,1,0,0,0|2,0,0]=4 1901 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000728054_100000210326 [0,1,1,0,0,0|2,0,0]=4 1902 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000210326_100000760492 [0,1,1,0,0,0|2,0,0]=4 1903 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000760492_100000210326 [0,1,1,0,0,0|2,0,0]=4 1904 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000049639_100000210326 [0,1,1,0,0,0|2,0,0]=4 1905 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000210326_100000049639 [0,1,1,0,0,0|2,0,0]=4 1906 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000210326_100000744099 [0,1,1,0,0,0|2,0,0]=4 1907 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000744099_100000210326 [0,1,1,0,0,0|2,0,0]=4 1908 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000210326_100000687067 [0,1,1,0,0,0|2,0,0]=4 1909 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000687067_100000210326 [0,1,1,0,0,0|2,0,0]=4 1910 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000210326_100000754920 [0,1,1,0,0,0|2,0,0]=4 1911 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000754920_100000210326 [0,1,1,0,0,0|2,0,0]=4 1912 B13R1.6 CCCCNCc1cc(ccn1)Br 2230a_100000102301_100010173614 [0,1,1,0,0,0|2,0,0]=4 1913 B13R1.6 CCCCNCc1cc(ccn1)Br 270004a_100000102301_100009818557 [0,1,1,0,0,0|2,0,0]=4 1914 B13R1.6 CCCCNCc1cc(ccn1)Br 7a_106832991798_100010173614 [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.6 CCCCNCc1cc(ccn1)C 207a_100000102301_100011361488 [0,1,1,0,0,0|2,0,0]=4 1916 B13R1.6 CCCCNCc1cc(ccn1)C 2230a_100000102301_100000718516 [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.6 CCCCNCc1cc(ccn1)C 270004a_100000102301_100011361488 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.6 CCCCNCc1cc(ccn1)C 7a_106832991798_100000718516 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.6 CCCCNCc1cc(ccn1)Cl 2230a_100000102301_100016988179 [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.6 CCCCNCc1cc(ccn1)Cl 270004a_100000102301_100011998288 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.6 CCCCNCc1cc(ccn1)Cl 7a_106832991798_100016988179 [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.6 CCCCNCc1cccc(=O)[nH]1 207a_100000102301_100011935257 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.6 CCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210211 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.6 CCCCNCc1cccc(c1)Br 207a_100000102301_100000210085 [0,1,1,0,0,0|1,0,0]=3 1925 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000102301_100000698116 [0,1,1,0,0,0|1,0,0]=3 1926 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000174977_100000210211 [0,1,1,0,0,0|1,0,0]=3 1927 B13R1.6 CCCCNCc1cccc(c1)Br 270004a_100000102301_100000210085 [0,1,1,0,0,0|1,0,0]=3 1928 B13R1.6 CCCCNCc1cccc(c1)Br 34a_100000174977_100000210210 [0,1,1,0,0,0|1,0,0]=3 1929 B13R1.6 CCCCNCc1cccc(c1)Br 7a_106832991798_100000211773 [0,1,1,0,0,0|1,0,0]=3 1930 B13R1.6 CCCCNCc1cccc(c1)C 207a_100000102301_100000211157 [0,1,1,0,0,0|1,0,0]=3 1931 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000102301_100000211840 [0,1,1,0,0,0|1,0,0]=3 1932 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000185548_100000210211 [0,1,1,0,0,0|1,0,0]=3 1933 B13R1.6 CCCCNCc1cccc(c1)C 270004a_100000102301_100000211157 [0,1,1,0,0,0|1,0,0]=3 1934 B13R1.6 CCCCNCc1cccc(c1)C 34a_100000185548_100000210210 [0,1,1,0,0,0|1,0,0]=3 1935 B13R1.6 CCCCNCc1cccc(c1)C 7a_106832991798_100000211840 [0,1,1,0,0,0|1,0,0]=3 1936 B13R1.6 CCCCNCc1cccc(c1)Cl 207a_100000102301_100000210801 [0,1,1,0,0,0|1,0,0]=3 1937 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000102301_100000181238 [0,1,1,0,0,0|1,0,0]=3 1938 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210211 [0,1,1,0,0,0|1,0,0]=3 1939 B13R1.6 CCCCNCc1cccc(c1)Cl 270004a_100000102301_100000210801 [0,1,1,0,0,0|1,0,0]=3 1940 B13R1.6 CCCCNCc1cccc(c1)Cl 34a_100000174878_100000210210 [0,1,1,0,0,0|1,0,0]=3 1941 B13R1.6 CCCCNCc1cccc(c1)Cl 7a_106832991798_100000187163 [0,1,1,0,0,0|1,0,0]=3 1942 B13R1.6 CCCCNCc1cccc(c1)F 207a_100000102301_100000210812 [0,1,1,0,0,0|1,0,0]=3 1943 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000102301_100000230114 [0,1,1,0,0,0|1,0,0]=3 1944 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000174948_100000210211 [0,1,1,0,0,0|1,0,0]=3 1945 B13R1.6 CCCCNCc1cccc(c1)F 270004a_100000102301_100000210812 [0,1,1,0,0,0|1,0,0]=3 1946 B13R1.6 CCCCNCc1cccc(c1)F 34a_100000174948_100000210210 [0,1,1,0,0,0|1,0,0]=3 1947 B13R1.6 CCCCNCc1cccc(c1)F 7a_106832991798_100000230114 [0,1,1,0,0,0|1,0,0]=3 1948 B13R1.6 CCCCNCc1cccc(c1)I 207a_100000102301_100000014684 [0,1,1,0,0,0|1,0,0]=3 1949 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000102301_100011218688 [0,1,1,0,0,0|1,0,0]=3 1950 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000106179_100000210211 [0,1,1,0,0,0|1,0,0]=3 1951 B13R1.6 CCCCNCc1cccc(c1)I 270004a_100000102301_100000014684 [0,1,1,0,0,0|1,0,0]=3 1952 B13R1.6 CCCCNCc1cccc(c1)I 34a_100000106179_100000210210 [0,1,1,0,0,0|1,0,0]=3 1953 B13R1.6 CCCCNCc1cccc(c1)I 7a_106832991798_100011218688 [0,1,1,0,0,0|1,0,0]=3 1954 B13R1.6 CCCCNCc1cccc(c1)O 207a_100000102301_100000188321 [0,1,1,0,0,0|1,0,0]=3 1955 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000102301_100011660834 [0,1,1,0,0,0|1,0,0]=3 1956 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000743036_100000210211 [0,1,1,0,0,0|1,0,0]=3 1957 B13R1.6 CCCCNCc1cccc(c1)O 270004a_100000102301_100000188321 [0,1,1,0,0,0|1,0,0]=3 1958 B13R1.6 CCCCNCc1cccc(c1)O 271570a_203496583355_100015186518 [0,1,1,0,0,0|1,0,0]=3 1959 B13R1.6 CCCCNCc1cccc(c1)O 34a_100000743036_100000210210 [0,1,1,0,0,0|1,0,0]=3 1960 B13R1.6 CCCCNCc1cccc(c1)O 7a_106832991798_100000084143 [0,1,1,0,0,0|1,0,0]=3 1961 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100000102301_100009889011 [0,1,1,0,0,0|2,0,0]=4 1962 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100016987751_100000210211 [0,1,1,0,0,0|2,0,0]=4 1963 B13R1.6 CCCCNCc1cccc(n1)Br 270004a_100000102301_100000688028 [0,1,1,0,0,0|2,0,0]=4 1964 B13R1.6 CCCCNCc1cccc(n1)Br 7a_106832991798_100009889011 [0,1,1,0,0,0|2,0,0]=4 1965 B13R1.6 CCCCNCc1cccc(n1)C 207a_100000102301_100011215050 [0,1,1,0,0,0|2,0,0]=4 1966 B13R1.6 CCCCNCc1cccc(n1)C 2230a_100000102301_100000757606 [0,1,1,0,0,0|2,0,0]=4 1967 B13R1.6 CCCCNCc1cccc(n1)C 270004a_100000102301_100011215050 [0,1,1,0,0,0|2,0,0]=4 1968 B13R1.6 CCCCNCc1cccc(n1)C 34a_100000701342_100000210210 [0,1,1,0,0,0|2,0,0]=4 1969 B13R1.6 CCCCNCc1cccc(n1)C 7a_106832991798_100000757606 [0,1,1,0,0,0|2,0,0]=4 1970 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100000102301_100000086093 [0,1,1,0,0,0|2,0,0]=4 1971 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210211 [0,1,1,0,0,0|2,0,0]=4 1972 B13R1.6 CCCCNCc1cccc(n1)Cl 270004a_100000102301_100011361687 [0,1,1,0,0,0|2,0,0]=4 1973 B13R1.6 CCCCNCc1cccc(n1)Cl 7a_106832991798_100000086093 [0,1,1,0,0,0|2,0,0]=4 1974 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100000102301_100009819644 [0,1,1,0,0,0|2,0,0]=4 1975 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100015188798_100000210211 [0,1,1,0,0,0|2,0,0]=4 1976 B13R1.6 CCCCNCc1cccc(n1)F 270004a_100000102301_100000050434 [0,1,1,0,0,0|2,0,0]=4 1977 B13R1.6 CCCCNCc1cccc(n1)F 34a_100015188798_100000210210 [0,1,1,0,0,0|2,0,0]=4 1978 B13R1.6 CCCCNCc1cccc(n1)F 7a_106832991798_100009819644 [0,1,1,0,0,0|2,0,0]=4 1979 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100000102301_100010243470 [0,1,1,0,0,0|2,0,0]=4 1980 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100025757509_100000210211 [0,1,1,0,0,0|2,0,0]=4 1981 B13R1.6 CCCCNCc1ccnc(c1)Br 270004a_100000102301_100009814634 [0,1,1,0,0,0|2,0,0]=4 1982 B13R1.6 CCCCNCc1ccnc(c1)Br 34a_100025757509_100000210210 [0,1,1,0,0,0|2,0,0]=4 1983 B13R1.6 CCCCNCc1ccnc(c1)Br 7a_106832991798_100010254460 [0,1,1,0,0,0|2,0,0]=4 1984 B13R1.6 CCCCNCc1ccnc(c1)C 207a_100000102301_100011361630 [0,1,1,0,0,0|2,0,0]=4 1985 B13R1.6 CCCCNCc1ccnc(c1)C 2230a_100000102301_200020672517 [0,1,1,0,0,0|2,0,0]=4 1986 B13R1.6 CCCCNCc1ccnc(c1)C 270004a_100000102301_100011361630 [0,1,1,0,0,0|2,0,0]=4 1987 B13R1.6 CCCCNCc1ccnc(c1)C 34a_100011934566_100000210210 [0,1,1,0,0,0|2,0,0]=4 1988 B13R1.6 CCCCNCc1ccnc(c1)C 7a_106832991798_200020672517 [0,1,1,0,0,0|2,0,0]=4 1989 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100000102301_100000764220 [0,1,1,0,0,0|2,0,0]=4 1990 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210211 [0,1,1,0,0,0|2,0,0]=4 1991 B13R1.6 CCCCNCc1ccnc(c1)Cl 270004a_100000102301_100011290808 [0,1,1,0,0,0|2,0,0]=4 1992 B13R1.6 CCCCNCc1ccnc(c1)Cl 34a_100015205668_100000210210 [0,1,1,0,0,0|2,0,0]=4 1993 B13R1.6 CCCCNCc1ccnc(c1)Cl 7a_106832991798_100000764220 [0,1,1,0,0,0|2,0,0]=4 1994 B13R1.6 CCCCNCc1ccnc(c1)F 2230a_100015188774_100000210211 [0,1,1,0,0,0|2,0,0]=4 1995 B13R1.6 CCCCNCc1ccnc(c1)F 270004a_100000102301_100000068331 [0,1,1,0,0,0|2,0,0]=4 1996 B13R1.6 CCCCNCc1ccnc(c1)F 34a_100015188774_100000210210 [0,1,1,0,0,0|2,0,0]=4 1997 B13R1.6 CCCCNCc1ccnc(c1)O 207a_100000102301_100000688113 [0,1,1,0,0,0|2,0,0]=4 1998 B13R1.6 CCCCNCc1cncc(c1)Br 207a_100000102301_100000687066 [0,1,1,0,0,0|0,0,0]=2 1999 B13R1.6 CCCCNCc1cncc(c1)Br 2230a_100000102301_100000738771 [0,1,1,0,0,0|0,0,0]=2 2000 B13R1.6 CCCCNCc1cncc(c1)Br 270004a_100000102301_100000687066 [0,1,1,0,0,0|0,0,0]=2 2001 B13R1.6 CCCCNCc1cncc(c1)Br 7a_106832991798_100000738771 [0,1,1,0,0,0|0,0,0]=2 2002 B13R1.6 CCCCNCc1cncc(c1)C 207a_100000102301_100011998712 [0,1,1,0,0,0|0,0,0]=2 2003 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000102301_100000716715 [0,1,1,0,0,0|0,0,0]=2 2004 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000692839_100000210211 [0,1,1,0,0,0|0,0,0]=2 2005 B13R1.6 CCCCNCc1cncc(c1)C 270004a_100000102301_100011998712 [0,1,1,0,0,0|0,0,0]=2 2006 B13R1.6 CCCCNCc1cncc(c1)C 34a_100000692839_100000210210 [0,1,1,0,0,0|0,0,0]=2 2007 B13R1.6 CCCCNCc1cncc(c1)C 7a_106832991798_100000716715 [0,1,1,0,0,0|0,0,0]=2 2008 B13R1.6 CCCCNCc1cncc(c1)Cl 207a_100000102301_100000088910 [0,1,1,0,0,0|0,0,0]=2 2009 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_100000102301_100016992070 [0,1,1,0,0,0|0,0,0]=2 2010 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210211 [0,1,1,0,0,0|0,0,0]=2 2011 B13R1.6 CCCCNCc1cncc(c1)Cl 270004a_100000102301_100000088910 [0,1,1,0,0,0|0,0,0]=2 2012 B13R1.6 CCCCNCc1cncc(c1)Cl 7a_106832991798_100016992070 [0,1,1,0,0,0|0,0,0]=2 2013 B13R1.6 CCCCNCc1cncc(c1)F 207a_100000102301_100011361476 [0,1,1,0,0,0|0,0,0]=2 2014 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100000102301_100000725299 [0,1,1,0,0,0|0,0,0]=2 2015 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100011962886_100000210211 [0,1,1,0,0,0|0,0,0]=2 2016 B13R1.6 CCCCNCc1cncc(c1)F 270004a_100000102301_100011361476 [0,1,1,0,0,0|0,0,0]=2 2017 B13R1.6 CCCCNCc1cncc(c1)F 34a_100011962886_100000210210 [0,1,1,0,0,0|0,0,0]=2 2018 B13R1.6 CCCCNCc1cncc(c1)F 7a_106832991798_100000725299 [0,1,1,0,0,0|0,0,0]=2 2019 B13R1.6 CCCCNCc1cncc(c1)O 207a_100000102301_100012187055 [0,1,1,0,0,0|0,0,0]=2 2020 B13R1.6 CCCCNCc1cncc(c1)O 270004a_100000102301_100012187055 [0,1,1,0,0,0|0,0,0]=2 2021 B13R1.6 CCCCNCc1cncc(n1)C 207a_100000102301_100000100294 [0,1,1,0,0,0|1,0,0]=3 2022 B13R1.6 CCCCNCc1cncc(n1)C 270004a_100000102301_100000100294 [0,1,1,0,0,0|1,0,0]=3 2023 B13R1.6 CCCCOCc1cc(cnn1)C 34a_100016212594_100000210210 [0,1,1,0,0,0|2,0,0]=4 2024 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210210 [0,1,1,0,0,0|1,0,1]=4 2025 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210211 [0,1,1,0,0,0|1,0,1]=4 2026 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000210227_100000698116 [0,1,1,0,0,0|2,0,0]=4 2027 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000687537_100000210210 [0,1,1,0,0,0|2,0,0]=4 2028 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000210227_100000211773 [0,1,1,0,0,0|2,0,0]=4 2029 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000687537_100000210211 [0,1,1,0,0,0|2,0,0]=4 2030 B13R1.6 CCCCOCc1cccc(c1)C 34a_100000210227_100000211840 [0,1,1,0,0,0|2,0,0]=4 2031 B13R1.6 CCCCOCc1cccc(c1)C 34a_100011217746_100000210210 [0,1,1,0,0,0|2,0,0]=4 2032 B13R1.6 CCCCOCc1cccc(c1)C 7a_100000210227_100000211840 [0,1,1,0,0,0|2,0,0]=4 2033 B13R1.6 CCCCOCc1cccc(c1)C 7a_100011217746_100000210211 [0,1,1,0,0,0|2,0,0]=4 2034 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000210227_100000187163 [0,1,1,0,0,0|2,0,0]=4 2035 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000241301_100000210210 [0,1,1,0,0,0|2,0,0]=4 2036 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000210227_100000187163 [0,1,1,0,0,0|2,0,0]=4 2037 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000241301_100000210211 [0,1,1,0,0,0|2,0,0]=4 2038 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210227_100000187166 [0,1,1,0,0,0|2,0,0]=4 2039 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210976_100000210210 [0,1,1,0,0,0|2,0,0]=4 2040 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210227_100000230114 [0,1,1,0,0,0|2,0,0]=4 2041 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210976_100000210211 [0,1,1,0,0,0|2,0,0]=4 2042 B13R1.6 CCCCOCc1cccc(c1)I 34a_100000210227_100011218688 [0,1,1,0,0,0|2,0,0]=4 2043 B13R1.6 CCCCOCc1cccc(c1)I 34a_100011215336_100000210210 [0,1,1,0,0,0|2,0,0]=4 2044 B13R1.6 CCCCOCc1cccc(c1)I 7a_100000210227_100011218688 [0,1,1,0,0,0|2,0,0]=4 2045 B13R1.6 CCCCOCc1cccc(c1)I 7a_100011215336_100000210211 [0,1,1,0,0,0|2,0,0]=4 2046 B13R1.6 CCCCOCc1cccc(c1)N 34a_100000211919_100000210210 [0,1,1,0,0,0|2,0,0]=4 2047 B13R1.6 CCCCOCc1cccc(c1)O 34a_100000210227_100011660834 [0,1,1,0,0,0|2,0,0]=4 2048 B13R1.6 CCCCOCc1cccc(c1)O 7a_100000210227_100000084143 [0,1,1,0,0,0|2,0,0]=4 2049 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100000210227_100000738771 [0,1,1,0,0,0|1,0,0]=3 2050 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100011259137_100000210210 [0,1,1,0,0,0|1,0,0]=3 2051 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100000210227_100000738771 [0,1,1,0,0,0|1,0,0]=3 2052 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100011259137_100000210211 [0,1,1,0,0,0|1,0,0]=3 2053 B13R1.6 CCCCOCc1cncc(c1)C 34a_100000210227_100000716715 [0,1,1,0,0,0|1,0,0]=3 2054 B13R1.6 CCCCOCc1cncc(c1)C 34a_100011998709_100000210210 [0,1,1,0,0,0|1,0,0]=3 2055 B13R1.6 CCCCOCc1cncc(c1)C 7a_100000210227_100000716715 [0,1,1,0,0,0|1,0,0]=3 2056 B13R1.6 CCCCOCc1cncc(c1)C 7a_100011998709_100000210211 [0,1,1,0,0,0|1,0,0]=3 2057 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000092867_100000210210 [0,1,1,0,0,0|1,0,0]=3 2058 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000210227_100016992070 [0,1,1,0,0,0|1,0,0]=3 2059 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000092867_100000210211 [0,1,1,0,0,0|1,0,0]=3 2060 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000210227_100016992070 [0,1,1,0,0,0|1,0,0]=3 2061 B13R1.6 CCCCOCc1cncc(c1)F 34a_100000210227_100000725299 [0,1,1,0,0,0|1,0,0]=3 2062 B13R1.6 CCCCOCc1cncc(c1)F 34a_100011962875_100000210210 [0,1,1,0,0,0|1,0,0]=3 2063 B13R1.6 CCCCOCc1cncc(c1)F 7a_100000210227_100000725299 [0,1,1,0,0,0|1,0,0]=3 2064 B13R1.6 CCCCOCc1cncc(c1)F 7a_100011962875_100000210211 [0,1,1,0,0,0|1,0,0]=3 2065 B13R1.6 CCCCOCc1cncc(c1)N 34a_100000085308_100000210210 [0,1,1,0,0,0|1,0,0]=3 2066 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000210211_100000211773 [0,1,1,0,0,0|2,0,0]=4 2067 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000211773_100000210210 [0,1,1,0,0,0|2,0,0]=4 2068 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000210211_100000211840 [0,1,1,0,0,0|2,0,0]=4 2069 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000211840_100000210210 [0,1,1,0,0,0|2,0,0]=4 2070 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000187163_100000210210 [0,1,1,0,0,0|2,0,0]=4 2071 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000210211_100000187163 [0,1,1,0,0,0|2,0,0]=4 2072 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000210211_100000230114 [0,1,1,0,0,0|2,0,0]=4 2073 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000230114_100000210210 [0,1,1,0,0,0|2,0,0]=4 2074 B13R1.6 CCCCSCc1cccc(c1)I 62a_100000210211_100011218688 [0,1,1,0,0,0|2,0,0]=4 2075 B13R1.6 CCCCSCc1cccc(c1)I 62a_100011218688_100000210210 [0,1,1,0,0,0|2,0,0]=4 2076 B13R1.6 CCCCSCc1cccc(c1)O 62a_100000210211_100011660834 [0,1,1,0,0,0|2,0,0]=4 2077 B13R1.6 CCCCSCc1cccc(c1)O 62a_100011660834_100000210210 [0,1,1,0,0,0|2,0,0]=4 2078 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000210211_100000738771 [0,1,1,0,0,0|1,0,0]=3 2079 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000738771_100000210210 [0,1,1,0,0,0|1,0,0]=3 2080 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000210211_100000716715 [0,1,1,0,0,0|1,0,0]=3 2081 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000716715_100000210210 [0,1,1,0,0,0|1,0,0]=3 2082 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100000210211_100016992070 [0,1,1,0,0,0|1,0,0]=3 2083 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100016992070_100000210210 [0,1,1,0,0,0|1,0,0]=3 2084 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000210211_100000725299 [0,1,1,0,0,0|1,0,0]=3 2085 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000725299_100000210210 [0,1,1,0,0,0|1,0,0]=3 2086 B13R1.6 CCOCSCc1cncc(c1)Br 62a_100000738771_100000739092 [0,1,1,0,0,0|2,0,0]=4 2087 B13R1.6 CCOCSCc1cncc(c1)Br 62a_100000739092_100000738771 [0,1,1,0,0,0|2,0,0]=4 2088 B13R1.6 CCOCSCc1cncc(c1)C 62a_100000716715_100000739092 [0,1,1,0,0,0|2,0,0]=4 2089 B13R1.6 CCOCSCc1cncc(c1)C 62a_100000739092_100000716715 [0,1,1,0,0,0|2,0,0]=4 2090 B13R1.6 CCOCSCc1cncc(c1)Cl 62a_100000739092_100016992070 [0,1,1,0,0,0|2,0,0]=4 2091 B13R1.6 CCOCSCc1cncc(c1)Cl 62a_100016992070_100000739092 [0,1,1,0,0,0|2,0,0]=4 2092 B13R1.6 CCOCSCc1cncc(c1)F 62a_100000725299_100000739092 [0,1,1,0,0,0|2,0,0]=4 2093 B13R1.6 CCOCSCc1cncc(c1)F 62a_100000739092_100000725299 [0,1,1,0,0,0|2,0,0]=4 2094 B13R1.6 COCCNCc1cccc(c1)Br 207a_100000209980_100000210085 [0,1,1,0,0,0|2,0,0]=4 2095 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000174977_100011201679 [0,1,1,0,0,0|2,0,0]=4 2096 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000209980_100000698116 [0,1,1,0,0,0|2,0,0]=4 2097 B13R1.6 COCCNCc1cccc(c1)Br 270004a_100000209980_100000210085 [0,1,1,0,0,0|2,0,0]=4 2098 B13R1.6 COCCNCc1cccc(c1)Br 34a_100000174977_100011201679 [0,1,1,0,0,0|2,0,0]=4 2099 B13R1.6 COCCNCc1cccc(c1)C 207a_100000209980_100000211157 [0,1,1,0,0,0|2,0,0]=4 2100 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000185548_100011201679 [0,1,1,0,0,0|2,0,0]=4 2101 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000209980_100000211840 [0,1,1,0,0,0|2,0,0]=4 2102 B13R1.6 COCCNCc1cccc(c1)C 270004a_100000209980_100000211157 [0,1,1,0,0,0|2,0,0]=4 2103 B13R1.6 COCCNCc1cccc(c1)C 34a_100000185548_100011201679 [0,1,1,0,0,0|2,0,0]=4 2104 B13R1.6 COCCNCc1cccc(c1)Cl 207a_100000209980_100000210801 [0,1,1,0,0,0|2,0,0]=4 2105 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000174878_100011201679 [0,1,1,0,0,0|2,0,0]=4 2106 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000209980_100000181238 [0,1,1,0,0,0|2,0,0]=4 2107 B13R1.6 COCCNCc1cccc(c1)Cl 270004a_100000209980_100000210801 [0,1,1,0,0,0|2,0,0]=4 2108 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000174878_100011201679 [0,1,1,0,0,0|2,0,0]=4 2109 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000719050_200000210301 [0,1,1,0,0,0|2,0,0]=4 2110 B13R1.6 COCCNCc1cccc(c1)F 207a_100000209980_100000210812 [0,1,1,0,0,0|2,0,0]=4 2111 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000174948_100011201679 [0,1,1,0,0,0|2,0,0]=4 2112 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000209980_100000230114 [0,1,1,0,0,0|2,0,0]=4 2113 B13R1.6 COCCNCc1cccc(c1)F 270004a_100000209980_100000210812 [0,1,1,0,0,0|2,0,0]=4 2114 B13R1.6 COCCNCc1cccc(c1)F 34a_100000174948_100011201679 [0,1,1,0,0,0|2,0,0]=4 2115 B13R1.6 COCCNCc1cccc(c1)I 207a_100000209980_100000014684 [0,1,1,0,0,0|2,0,0]=4 2116 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000106179_100011201679 [0,1,1,0,0,0|2,0,0]=4 2117 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000209980_100011218688 [0,1,1,0,0,0|2,0,0]=4 2118 B13R1.6 COCCNCc1cccc(c1)I 270004a_100000209980_100000014684 [0,1,1,0,0,0|2,0,0]=4 2119 B13R1.6 COCCNCc1cccc(c1)I 34a_100000106179_100011201679 [0,1,1,0,0,0|2,0,0]=4 2120 B13R1.6 COCCNCc1cccc(c1)O 207a_100000209980_100000188321 [0,1,1,0,0,0|2,0,0]=4 2121 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000209980_100011660834 [0,1,1,0,0,0|2,0,0]=4 2122 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000743036_100011201679 [0,1,1,0,0,0|2,0,0]=4 2123 B13R1.6 COCCNCc1cccc(c1)O 270004a_100000209980_100000188321 [0,1,1,0,0,0|2,0,0]=4 2124 B13R1.6 COCCNCc1cccc(c1)O 34a_100000743036_100011201679 [0,1,1,0,0,0|2,0,0]=4 2125 B13R1.6 COCCNCc1cncc(c1)Br 207a_100000209980_100000687066 [0,1,1,0,0,0|1,0,0]=3 2126 B13R1.6 COCCNCc1cncc(c1)Br 2230a_100000209980_100000738771 [0,1,1,0,0,0|1,0,0]=3 2127 B13R1.6 COCCNCc1cncc(c1)Br 270004a_100000209980_100000687066 [0,1,1,0,0,0|1,0,0]=3 2128 B13R1.6 COCCNCc1cncc(c1)C 207a_100000209980_100011998712 [0,1,1,0,0,0|1,0,0]=3 2129 B13R1.6 COCCNCc1cncc(c1)C 2230a_100000209980_100000716715 [0,1,1,0,0,0|1,0,0]=3 2130 B13R1.6 COCCNCc1cncc(c1)C 2230a_100000692839_100011201679 [0,1,1,0,0,0|1,0,0]=3 2131 B13R1.6 COCCNCc1cncc(c1)C 270004a_100000209980_100011998712 [0,1,1,0,0,0|1,0,0]=3 2132 B13R1.6 COCCNCc1cncc(c1)C 34a_100000692839_100011201679 [0,1,1,0,0,0|1,0,0]=3 2133 B13R1.6 COCCNCc1cncc(c1)Cl 207a_100000209980_100000088910 [0,1,1,0,0,0|1,0,0]=3 2134 B13R1.6 COCCNCc1cncc(c1)Cl 2230a_100000209980_100016992070 [0,1,1,0,0,0|1,0,0]=3 2135 B13R1.6 COCCNCc1cncc(c1)Cl 2230a_200020614424_100011201679 [0,1,1,0,0,0|1,0,0]=3 2136 B13R1.6 COCCNCc1cncc(c1)Cl 270004a_100000209980_100000088910 [0,1,1,0,0,0|1,0,0]=3 2137 B13R1.6 COCCNCc1cncc(c1)F 207a_100000209980_100011361476 [0,1,1,0,0,0|1,0,0]=3 2138 B13R1.6 COCCNCc1cncc(c1)F 2230a_100000209980_100000725299 [0,1,1,0,0,0|1,0,0]=3 2139 B13R1.6 COCCNCc1cncc(c1)F 2230a_100011962886_100011201679 [0,1,1,0,0,0|1,0,0]=3 2140 B13R1.6 COCCNCc1cncc(c1)F 270004a_100000209980_100011361476 [0,1,1,0,0,0|1,0,0]=3 2141 B13R1.6 COCCNCc1cncc(c1)F 34a_100011962886_100011201679 [0,1,1,0,0,0|1,0,0]=3 2142 B13R1.6 COCCNCc1cncc(c1)O 207a_100000209980_100012187055 [0,1,1,0,0,0|1,0,0]=3 2143 B13R1.6 COCCNCc1cncc(c1)O 270004a_100000209980_100012187055 [0,1,1,0,0,0|1,0,0]=3 2144 B13R1.6 COCCNCc1cncc(n1)C 207a_100000209980_100000100294 [0,1,1,0,0,0|2,0,0]=4 2145 B13R1.6 COCCNCc1cncc(n1)C 270004a_100000209980_100000100294 [0,1,1,0,0,0|2,0,0]=4 2146 B13R1.6 COCCOCc1cncc(c1)Br 34a_100000210237_100000738771 [0,1,1,0,0,0|2,0,0]=4 2147 B13R1.6 COCCOCc1cncc(c1)Br 34a_100011259137_100011201679 [0,1,1,0,0,0|2,0,0]=4 2148 B13R1.6 COCCOCc1cncc(c1)Br 7a_100011259137_100000233755 [0,1,1,0,0,0|2,0,0]=4 2149 B13R1.6 COCCOCc1cncc(c1)C 34a_100000210237_100000716715 [0,1,1,0,0,0|2,0,0]=4 2150 B13R1.6 COCCOCc1cncc(c1)C 34a_100011998709_100011201679 [0,1,1,0,0,0|2,0,0]=4 2151 B13R1.6 COCCOCc1cncc(c1)C 7a_100011998709_100000233755 [0,1,1,0,0,0|2,0,0]=4 2152 B13R1.6 COCCOCc1cncc(c1)Cl 34a_100000092867_100011201679 [0,1,1,0,0,0|2,0,0]=4 2153 B13R1.6 COCCOCc1cncc(c1)Cl 34a_100000210237_100016992070 [0,1,1,0,0,0|2,0,0]=4 2154 B13R1.6 COCCOCc1cncc(c1)Cl 7a_100000092867_100000233755 [0,1,1,0,0,0|2,0,0]=4 2155 B13R1.6 COCCOCc1cncc(c1)F 34a_100000210237_100000725299 [0,1,1,0,0,0|2,0,0]=4 2156 B13R1.6 COCCOCc1cncc(c1)F 34a_100011962875_100011201679 [0,1,1,0,0,0|2,0,0]=4 2157 B13R1.6 COCCOCc1cncc(c1)F 7a_100011962875_100000233755 [0,1,1,0,0,0|2,0,0]=4 2158 B13R1.6 COCCOCc1cncc(c1)N 34a_100000085308_100011201679 [0,1,1,0,0,0|2,0,0]=4 2159 B13R1.6 COCCSCc1cncc(c1)Br 62a_100000233755_100000738771 [0,1,1,0,0,0|2,0,0]=4 2160 B13R1.6 COCCSCc1cncc(c1)Br 62a_100000738771_100000233755 [0,1,1,0,0,0|2,0,0]=4 2161 B13R1.6 COCCSCc1cncc(c1)C 62a_100000233755_100000716715 [0,1,1,0,0,0|2,0,0]=4 2162 B13R1.6 COCCSCc1cncc(c1)C 62a_100000716715_100000233755 [0,1,1,0,0,0|2,0,0]=4 2163 B13R1.6 COCCSCc1cncc(c1)Cl 62a_100000233755_100016992070 [0,1,1,0,0,0|2,0,0]=4 2164 B13R1.6 COCCSCc1cncc(c1)Cl 62a_100016992070_100000233755 [0,1,1,0,0,0|2,0,0]=4 2165 B13R1.6 COCCSCc1cncc(c1)F 62a_100000233755_100000725299 [0,1,1,0,0,0|2,0,0]=4 2166 B13R1.6 COCCSCc1cncc(c1)F 62a_100000725299_100000233755 [0,1,1,0,0,0|2,0,0]=4 2167 B13R1.6 CSCCNCc1cccc(c1)Br 207a_100020590264_100000210085 [0,1,1,0,0,0|2,0,0]=4 2168 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100000174977_100000751147 [0,1,1,0,0,0|2,0,0]=4 2169 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100020590264_100000698116 [0,1,1,0,0,0|2,0,0]=4 2170 B13R1.6 CSCCNCc1cccc(c1)Br 270004a_100020590264_100000210085 [0,1,1,0,0,0|2,0,0]=4 2171 B13R1.6 CSCCNCc1cccc(c1)Br 34a_100000174977_100000212216 [0,1,1,0,0,0|2,0,0]=4 2172 B13R1.6 CSCCNCc1cccc(c1)C 207a_100020590264_100000211157 [0,1,1,0,0,0|2,0,0]=4 2173 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100000185548_100000751147 [0,1,1,0,0,0|2,0,0]=4 2174 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100020590264_100000211840 [0,1,1,0,0,0|2,0,0]=4 2175 B13R1.6 CSCCNCc1cccc(c1)C 270004a_100020590264_100000211157 [0,1,1,0,0,0|2,0,0]=4 2176 B13R1.6 CSCCNCc1cccc(c1)C 34a_100000185548_100000212216 [0,1,1,0,0,0|2,0,0]=4 2177 B13R1.6 CSCCNCc1cccc(c1)Cl 207a_100020590264_100000210801 [0,1,1,0,0,0|2,0,0]=4 2178 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100000174878_100000751147 [0,1,1,0,0,0|2,0,0]=4 2179 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100020590264_100000181238 [0,1,1,0,0,0|2,0,0]=4 2180 B13R1.6 CSCCNCc1cccc(c1)Cl 270004a_100020590264_100000210801 [0,1,1,0,0,0|2,0,0]=4 2181 B13R1.6 CSCCNCc1cccc(c1)Cl 34a_100000174878_100000212216 [0,1,1,0,0,0|2,0,0]=4 2182 B13R1.6 CSCCNCc1cccc(c1)F 207a_100020590264_100000210812 [0,1,1,0,0,0|2,0,0]=4 2183 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100000174948_100000751147 [0,1,1,0,0,0|2,0,0]=4 2184 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100020590264_100000230114 [0,1,1,0,0,0|2,0,0]=4 2185 B13R1.6 CSCCNCc1cccc(c1)F 270004a_100020590264_100000210812 [0,1,1,0,0,0|2,0,0]=4 2186 B13R1.6 CSCCNCc1cccc(c1)F 34a_100000174948_100000212216 [0,1,1,0,0,0|2,0,0]=4 2187 B13R1.6 CSCCNCc1cccc(c1)I 207a_100020590264_100000014684 [0,1,1,0,0,0|2,0,0]=4 2188 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100000106179_100000751147 [0,1,1,0,0,0|2,0,0]=4 2189 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100020590264_100011218688 [0,1,1,0,0,0|2,0,0]=4 2190 B13R1.6 CSCCNCc1cccc(c1)I 270004a_100020590264_100000014684 [0,1,1,0,0,0|2,0,0]=4 2191 B13R1.6 CSCCNCc1cccc(c1)I 34a_100000106179_100000212216 [0,1,1,0,0,0|2,0,0]=4 2192 B13R1.6 CSCCNCc1cccc(c1)O 207a_100020590264_100000188321 [0,1,1,0,0,0|2,0,0]=4 2193 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100000743036_100000751147 [0,1,1,0,0,0|2,0,0]=4 2194 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100020590264_100011660834 [0,1,1,0,0,0|2,0,0]=4 2195 B13R1.6 CSCCNCc1cccc(c1)O 270004a_100020590264_100000188321 [0,1,1,0,0,0|2,0,0]=4 2196 B13R1.6 CSCCNCc1cccc(c1)O 34a_100000743036_100000212216 [0,1,1,0,0,0|2,0,0]=4 2197 B13R1.6 CSCCNCc1cncc(c1)Br 207a_100020590264_100000687066 [0,1,1,0,0,0|1,0,0]=3 2198 B13R1.6 CSCCNCc1cncc(c1)Br 2230a_100020590264_100000738771 [0,1,1,0,0,0|1,0,0]=3 2199 B13R1.6 CSCCNCc1cncc(c1)Br 270004a_100020590264_100000687066 [0,1,1,0,0,0|1,0,0]=3 2200 B13R1.6 CSCCNCc1cncc(c1)C 207a_100020590264_100011998712 [0,1,1,0,0,0|1,0,0]=3 2201 B13R1.6 CSCCNCc1cncc(c1)C 2230a_100000692839_100000751147 [0,1,1,0,0,0|1,0,0]=3 2202 B13R1.6 CSCCNCc1cncc(c1)C 2230a_100020590264_100000716715 [0,1,1,0,0,0|1,0,0]=3 2203 B13R1.6 CSCCNCc1cncc(c1)C 270004a_100020590264_100011998712 [0,1,1,0,0,0|1,0,0]=3 2204 B13R1.6 CSCCNCc1cncc(c1)C 34a_100000692839_100000212216 [0,1,1,0,0,0|1,0,0]=3 2205 B13R1.6 CSCCNCc1cncc(c1)Cl 207a_100020590264_100000088910 [0,1,1,0,0,0|1,0,0]=3 2206 B13R1.6 CSCCNCc1cncc(c1)Cl 2230a_100020590264_100016992070 [0,1,1,0,0,0|1,0,0]=3 2207 B13R1.6 CSCCNCc1cncc(c1)Cl 2230a_200020614424_100000751147 [0,1,1,0,0,0|1,0,0]=3 2208 B13R1.6 CSCCNCc1cncc(c1)Cl 270004a_100020590264_100000088910 [0,1,1,0,0,0|1,0,0]=3 2209 B13R1.6 CSCCNCc1cncc(c1)F 207a_100020590264_100011361476 [0,1,1,0,0,0|1,0,0]=3 2210 B13R1.6 CSCCNCc1cncc(c1)F 2230a_100011962886_100000751147 [0,1,1,0,0,0|1,0,0]=3 2211 B13R1.6 CSCCNCc1cncc(c1)F 2230a_100020590264_100000725299 [0,1,1,0,0,0|1,0,0]=3 2212 B13R1.6 CSCCNCc1cncc(c1)F 270004a_100020590264_100011361476 [0,1,1,0,0,0|1,0,0]=3 2213 B13R1.6 CSCCNCc1cncc(c1)F 34a_100011962886_100000212216 [0,1,1,0,0,0|1,0,0]=3 2214 B13R1.6 CSCCNCc1cncc(c1)O 207a_100020590264_100012187055 [0,1,1,0,0,0|1,0,0]=3 2215 B13R1.6 CSCCNCc1cncc(c1)O 270004a_100020590264_100012187055 [0,1,1,0,0,0|1,0,0]=3 2216 B13R1.6 CSCCNCc1cncc(n1)C 207a_100020590264_100000100294 [0,1,1,0,0,0|2,0,0]=4 2217 B13R1.6 CSCCNCc1cncc(n1)C 270004a_100020590264_100000100294 [0,1,1,0,0,0|2,0,0]=4 2218 B13R1.6 CSCCOCc1cncc(c1)Br 34a_100000230434_100000738771 [0,1,1,0,0,0|2,0,0]=4 2219 B13R1.6 CSCCOCc1cncc(c1)Br 34a_100011259137_100000212216 [0,1,1,0,0,0|2,0,0]=4 2220 B13R1.6 CSCCOCc1cncc(c1)Br 7a_100000230434_100000738771 [0,1,1,0,0,0|2,0,0]=4 2221 B13R1.6 CSCCOCc1cncc(c1)Br 7a_100011259137_100000212216 [0,1,1,0,0,0|2,0,0]=4 2222 B13R1.6 CSCCOCc1cncc(c1)C 34a_100000230434_100000716715 [0,1,1,0,0,0|2,0,0]=4 2223 B13R1.6 CSCCOCc1cncc(c1)C 34a_100011998709_100000212216 [0,1,1,0,0,0|2,0,0]=4 2224 B13R1.6 CSCCOCc1cncc(c1)C 7a_100000230434_100000716715 [0,1,1,0,0,0|2,0,0]=4 2225 B13R1.6 CSCCOCc1cncc(c1)C 7a_100011998709_100000212216 [0,1,1,0,0,0|2,0,0]=4 2226 B13R1.6 CSCCOCc1cncc(c1)Cl 34a_100000092867_100000212216 [0,1,1,0,0,0|2,0,0]=4 2227 B13R1.6 CSCCOCc1cncc(c1)Cl 34a_100000230434_100016992070 [0,1,1,0,0,0|2,0,0]=4 2228 B13R1.6 CSCCOCc1cncc(c1)Cl 7a_100000092867_100000212216 [0,1,1,0,0,0|2,0,0]=4 2229 B13R1.6 CSCCOCc1cncc(c1)Cl 7a_100000230434_100016992070 [0,1,1,0,0,0|2,0,0]=4 2230 B13R1.6 CSCCOCc1cncc(c1)F 34a_100000230434_100000725299 [0,1,1,0,0,0|2,0,0]=4 2231 B13R1.6 CSCCOCc1cncc(c1)F 34a_100011962875_100000212216 [0,1,1,0,0,0|2,0,0]=4 2232 B13R1.6 CSCCOCc1cncc(c1)F 7a_100000230434_100000725299 [0,1,1,0,0,0|2,0,0]=4 2233 B13R1.6 CSCCOCc1cncc(c1)F 7a_100011962875_100000212216 [0,1,1,0,0,0|2,0,0]=4 2234 B13R1.6 CSCCOCc1cncc(c1)N 34a_100000085308_100000212216 [0,1,1,0,0,0|2,0,0]=4 2235 B13R1.6 CSCCSCc1cncc(c1)Br 62a_100000212216_100000738771 [0,1,1,0,0,0|2,0,0]=4 2236 B13R1.6 CSCCSCc1cncc(c1)Br 62a_100000738771_100000751147 [0,1,1,0,0,0|2,0,0]=4 2237 B13R1.6 CSCCSCc1cncc(c1)C 62a_100000212216_100000716715 [0,1,1,0,0,0|2,0,0]=4 2238 B13R1.6 CSCCSCc1cncc(c1)C 62a_100000716715_100000751147 [0,1,1,0,0,0|2,0,0]=4 2239 B13R1.6 CSCCSCc1cncc(c1)Cl 62a_100000212216_100016992070 [0,1,1,0,0,0|2,0,0]=4 2240 B13R1.6 CSCCSCc1cncc(c1)Cl 62a_100016992070_100000751147 [0,1,1,0,0,0|2,0,0]=4 2241 B13R1.6 CSCCSCc1cncc(c1)F 62a_100000212216_100000725299 [0,1,1,0,0,0|2,0,0]=4 2242 B13R1.6 CSCCSCc1cncc(c1)F 62a_100000725299_100000751147 [0,1,1,0,0,0|2,0,0]=4 2243 B13R1.6 Cc1cccc(c1)CCOCCN 34a_100000210304_100011713685 [0,1,1,0,0,0|2,0,0]=4 2244 B13R1.6 Cc1cccc(c1)CNCCCF 207a_100015189416_100000211157 [0,1,1,0,0,0|2,0,0]=4 2245 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100000185548_100011934791 [0,1,1,0,0,0|2,0,0]=4 2246 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100015189416_100000211840 [0,1,1,0,0,0|2,0,0]=4 2247 B13R1.6 Cc1cccc(c1)CNCCCF 270004a_100015189416_100000211157 [0,1,1,0,0,0|2,0,0]=4 2248 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100000185548_100011934791 [0,1,1,0,0,0|2,0,0]=4 2249 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100015189416_100000211840 [0,1,1,0,0,0|2,0,0]=4 2250 B13R1.6 Cc1cccc(c1)CNCCCO 207a_100000182051_100000211157 [0,1,1,0,0,0|2,0,0]=4 2251 B13R1.6 Cc1cccc(c1)CNCCCO 2230a_100000185548_100000230001 [0,1,1,0,0,0|2,0,0]=4 2252 B13R1.6 Cc1cccc(c1)CNCCCO 270004a_100000182051_100000211157 [0,1,1,0,0,0|2,0,0]=4 2253 B13R1.6 Cc1cccc(c1)CNCCCO 34a_100000185548_100000230001 [0,1,1,0,0,0|2,0,0]=4 2254 B13R1.6 Cc1cccc(c1)COCCCN 34a_100000182051_100000211840 [0,1,1,0,0,0|2,0,0]=4 2255 B13R1.6 Cc1cncc(c1)CNCCC#N 2230a_100000692839_100011215226 [0,1,1,0,0,0|1,0,1]=4 2256 B13R1.6 Cc1cncc(c1)CNCCC#N 270004a_100000720768_100011998712 [0,1,1,0,0,0|1,0,1]=4 2257 B13R1.6 Cc1cncc(c1)CNCCCF 207a_100015189416_100011998712 [0,1,1,0,0,0|1,0,0]=3 2258 B13R1.6 Cc1cncc(c1)CNCCCF 2230a_100000692839_100011934791 [0,1,1,0,0,0|1,0,0]=3 2259 B13R1.6 Cc1cncc(c1)CNCCCF 2230a_100015189416_100000716715 [0,1,1,0,0,0|1,0,0]=3 2260 B13R1.6 Cc1cncc(c1)CNCCCF 270004a_100015189416_100011998712 [0,1,1,0,0,0|1,0,0]=3 2261 B13R1.6 Cc1cncc(c1)CNCCCF 34a_100000692839_100011934791 [0,1,1,0,0,0|1,0,0]=3 2262 B13R1.6 Cc1cncc(c1)CNCCCF 34a_100015189416_100000716715 [0,1,1,0,0,0|1,0,0]=3 2263 B13R1.6 Cc1cncc(c1)CNCCCO 207a_100000182051_100011998712 [0,1,1,0,0,0|1,0,0]=3 2264 B13R1.6 Cc1cncc(c1)CNCCCO 2230a_100000692839_100000230001 [0,1,1,0,0,0|1,0,0]=3 2265 B13R1.6 Cc1cncc(c1)CNCCCO 270004a_100000182051_100011998712 [0,1,1,0,0,0|1,0,0]=3 2266 B13R1.6 Cc1cncc(c1)CNCCCO 34a_100000692839_100000230001 [0,1,1,0,0,0|1,0,0]=3 2267 B13R1.6 Cc1cncc(c1)COCCCBr 34a_100011217188_100000716715 [0,1,1,0,0,0|2,0,0]=4 2268 B13R1.6 Cc1cncc(c1)COCCCCl 34a_100000230001_100000716715 [0,1,1,0,0,0|2,0,0]=4 2269 B13R1.6 Cc1cncc(c1)COCCCF 34a_100000759539_100000716715 [0,1,1,0,0,0|2,0,0]=4 2270 B13R1.6 Cc1cncc(c1)COCCCF 34a_100011998709_100011934791 [0,1,1,0,0,0|2,0,0]=4 2271 B13R1.6 Cc1cncc(c1)COCCCF 7a_100011998709_100011934791 [0,1,1,0,0,0|2,0,0]=4 2272 B13R1.6 Cc1cncc(c1)COCCCN 34a_100000182051_100000716715 [0,1,1,0,0,0|1,0,0]=3 2273 B13R1.6 Cc1cncc(c1)COCCCO 34a_100011998709_100000230001 [0,1,1,0,0,0|2,0,0]=4 2274 B13R1.6 Cc1cncc(c1)COCCCO 7a_100011998709_100011215043 [0,1,1,0,0,0|2,0,0]=4 2275 B13R1.6 Cc1cncc(c1)COCCON 34a_100000700252_100000716715 [0,1,1,0,0,0|2,0,0]=4 2276 B13R1.6 Cc1cncc(c1)CSCCCF 62a_100000716715_100011934791 [0,1,1,0,0,0|2,0,0]=4 2277 B13R1.6 Cc1cncc(c1)CSCCCF 62a_100011934791_100000716715 [0,1,1,0,0,0|2,0,0]=4 2278 B13R1.6 Cc1cncc(c1)CSCCCO 62a_100000716715_100011215043 [0,1,1,0,0,0|2,0,0]=4 2279 B13R1.6 Cc1cncc(c1)CSCCCO 62a_100011215043_100000716715 [0,1,1,0,0,0|2,0,0]=4 2280 B13R1.6 Cc1cncc(c1)OCCCCF 34a_100011830280_100000729493 [0,1,1,0,0,0|2,0,0]=4 2281 B13R1.6 Cc1cncc(c1)OCCCCF 7a_100011830280_100000729493 [0,1,1,0,0,0|2,0,0]=4 2282 B13R1.6 Cc1cncc(c1)OCCCCO 34a_100011830280_100011216708 [0,1,1,0,0,0|2,0,0]=4 2283 B13R1.6 Cc1cncc(c1)OCCCCO 7a_100011830280_100000210776 [0,1,1,0,0,0|2,0,0]=4 2284 B13R1.6 Cc1cncc(c1)SCCCCF 62a_100000729493_100000760492 [0,1,1,0,0,0|2,0,0]=4 2285 B13R1.6 Cc1cncc(c1)SCCCCF 62a_100000760492_100000729493 [0,1,1,0,0,0|2,0,0]=4 2286 B13R1.6 Cc1cncc(c1)SCCCCO 62a_100000210776_100000760492 [0,1,1,0,0,0|2,0,0]=4 2287 B13R1.6 Cc1cncc(c1)SCCCCO 62a_100000760492_100000210776 [0,1,1,0,0,0|2,0,0]=4 2288 B13R1.6 Cc1cncc(n1)CNCCCF 207a_100015189416_100000100294 [0,1,1,0,0,0|2,0,0]=4 2289 B13R1.6 Cc1cncc(n1)CNCCCF 270004a_100015189416_100000100294 [0,1,1,0,0,0|2,0,0]=4 2290 B13R1.6 Cc1cncc(n1)CNCCCO 207a_100000182051_100000100294 [0,1,1,0,0,0|2,0,0]=4 2291 B13R1.6 Cc1cncc(n1)CNCCCO 270004a_100000182051_100000100294 [0,1,1,0,0,0|2,0,0]=4 2292 B13R1.6 ClCCCOCc1cncc(c1)Br 34a_100000230001_100000738771 [0,1,1,0,0,0|2,0,0]=4 2293 B13R1.6 ClCCCOCc1cncc(c1)Cl 34a_100000230001_100016992070 [0,1,1,0,0,0|2,0,0]=4 2294 B13R1.6 Clc1cncc(c1)COCCCBr 34a_100011217188_100016992070 [0,1,1,0,0,0|2,0,0]=4 2295 B13R1.6 FCCCCOc1cncc(c1)Br 34a_100000754920_100000729493 [0,1,1,0,0,0|2,0,0]=4 2296 B13R1.6 FCCCCOc1cncc(c1)Br 7a_100000754920_100000729493 [0,1,1,0,0,0|2,0,0]=4 2297 B13R1.6 FCCCCOc1cncc(c1)Cl 7a_100000032511_100000729493 [0,1,1,0,0,0|2,0,0]=4 2298 B13R1.6 FCCCCOc1cncc(c1)F 34a_100011830296_100000729493 [0,1,1,0,0,0|2,0,0]=4 2299 B13R1.6 FCCCCOc1cncc(c1)F 7a_100011830296_100000729493 [0,1,1,0,0,0|2,0,0]=4 2300 B13R1.6 FCCCCSc1cncc(c1)Br 62a_100000728054_100000729493 [0,1,1,0,0,0|2,0,0]=4 2301 B13R1.6 FCCCCSc1cncc(c1)Br 62a_100000729493_100000728054 [0,1,1,0,0,0|2,0,0]=4 2302 B13R1.6 FCCCCSc1cncc(c1)Cl 62a_100000049639_100000729493 [0,1,1,0,0,0|2,0,0]=4 2303 B13R1.6 FCCCCSc1cncc(c1)Cl 62a_100000729493_100000049639 [0,1,1,0,0,0|2,0,0]=4 2304 B13R1.6 FCCCCSc1cncc(c1)F 62a_100000729493_100000744099 [0,1,1,0,0,0|2,0,0]=4 2305 B13R1.6 FCCCCSc1cncc(c1)F 62a_100000744099_100000729493 [0,1,1,0,0,0|2,0,0]=4 2306 B13R1.6 FCCCNCc1cccc(c1)Br 207a_100015189416_100000210085 [0,1,1,0,0,0|2,0,0]=4 2307 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100000174977_100011934791 [0,1,1,0,0,0|2,0,0]=4 2308 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100015189416_100000698116 [0,1,1,0,0,0|2,0,0]=4 2309 B13R1.6 FCCCNCc1cccc(c1)Br 270004a_100015189416_100000210085 [0,1,1,0,0,0|2,0,0]=4 2310 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100000174977_100011934791 [0,1,1,0,0,0|2,0,0]=4 2311 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100015189416_100000698116 [0,1,1,0,0,0|2,0,0]=4 2312 B13R1.6 FCCCNCc1cccc(c1)Cl 207a_100015189416_100000210801 [0,1,1,0,0,0|2,0,0]=4 2313 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100000174878_100011934791 [0,1,1,0,0,0|2,0,0]=4 2314 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100015189416_100000181238 [0,1,1,0,0,0|2,0,0]=4 2315 B13R1.6 FCCCNCc1cccc(c1)Cl 270004a_100015189416_100000210801 [0,1,1,0,0,0|2,0,0]=4 2316 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100000174878_100011934791 [0,1,1,0,0,0|2,0,0]=4 2317 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100015189416_100000187163 [0,1,1,0,0,0|2,0,0]=4 2318 B13R1.6 FCCCNCc1cccc(c1)F 207a_100015189416_100000210812 [0,1,1,0,0,0|2,0,0]=4 2319 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100000174948_100011934791 [0,1,1,0,0,0|2,0,0]=4 2320 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100015189416_100000230114 [0,1,1,0,0,0|2,0,0]=4 2321 B13R1.6 FCCCNCc1cccc(c1)F 270004a_100015189416_100000210812 [0,1,1,0,0,0|2,0,0]=4 2322 B13R1.6 FCCCNCc1cccc(c1)F 34a_100000174948_100011934791 [0,1,1,0,0,0|2,0,0]=4 2323 B13R1.6 FCCCNCc1cccc(c1)F 34a_100015189416_100000187166 [0,1,1,0,0,0|2,0,0]=4 2324 B13R1.6 FCCCNCc1cccc(c1)I 207a_100015189416_100000014684 [0,1,1,0,0,0|2,0,0]=4 2325 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100000106179_100011934791 [0,1,1,0,0,0|2,0,0]=4 2326 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100015189416_100011218688 [0,1,1,0,0,0|2,0,0]=4 2327 B13R1.6 FCCCNCc1cccc(c1)I 270004a_100015189416_100000014684 [0,1,1,0,0,0|2,0,0]=4 2328 B13R1.6 FCCCNCc1cccc(c1)I 34a_100000106179_100011934791 [0,1,1,0,0,0|2,0,0]=4 2329 B13R1.6 FCCCNCc1cccc(c1)I 34a_100015189416_100011218688 [0,1,1,0,0,0|2,0,0]=4 2330 B13R1.6 FCCCNCc1cncc(c1)Br 207a_100015189416_100000687066 [0,1,1,0,0,0|1,0,0]=3 2331 B13R1.6 FCCCNCc1cncc(c1)Br 2230a_100015189416_100000738771 [0,1,1,0,0,0|1,0,0]=3 2332 B13R1.6 FCCCNCc1cncc(c1)Br 270004a_100015189416_100000687066 [0,1,1,0,0,0|1,0,0]=3 2333 B13R1.6 FCCCNCc1cncc(c1)Br 34a_100015189416_100000738771 [0,1,1,0,0,0|1,0,0]=3 2334 B13R1.6 FCCCNCc1cncc(c1)Cl 207a_100015189416_100000088910 [0,1,1,0,0,0|1,0,0]=3 2335 B13R1.6 FCCCNCc1cncc(c1)Cl 2230a_100015189416_100016992070 [0,1,1,0,0,0|1,0,0]=3 2336 B13R1.6 FCCCNCc1cncc(c1)Cl 2230a_200020614424_100011934791 [0,1,1,0,0,0|1,0,0]=3 2337 B13R1.6 FCCCNCc1cncc(c1)Cl 270004a_100015189416_100000088910 [0,1,1,0,0,0|1,0,0]=3 2338 B13R1.6 FCCCNCc1cncc(c1)Cl 34a_100015189416_100016992070 [0,1,1,0,0,0|1,0,0]=3 2339 B13R1.6 FCCCNCc1cncc(c1)F 207a_100015189416_100011361476 [0,1,1,0,0,0|1,0,0]=3 2340 B13R1.6 FCCCNCc1cncc(c1)F 2230a_100011962886_100011934791 [0,1,1,0,0,0|1,0,0]=3 2341 B13R1.6 FCCCNCc1cncc(c1)F 2230a_100015189416_100000725299 [0,1,1,0,0,0|1,0,0]=3 2342 B13R1.6 FCCCNCc1cncc(c1)F 270004a_100015189416_100011361476 [0,1,1,0,0,0|1,0,0]=3 2343 B13R1.6 FCCCNCc1cncc(c1)F 34a_100011962886_100011934791 [0,1,1,0,0,0|1,0,0]=3 2344 B13R1.6 FCCCNCc1cncc(c1)F 34a_100015189416_100000725299 [0,1,1,0,0,0|1,0,0]=3 2345 B13R1.6 FCCCOCc1cncc(c1)Br 34a_100000759539_100000738771 [0,1,1,0,0,0|2,0,0]=4 2346 B13R1.6 FCCCOCc1cncc(c1)Br 34a_100011259137_100011934791 [0,1,1,0,0,0|2,0,0]=4 2347 B13R1.6 FCCCOCc1cncc(c1)Br 7a_100011259137_100011934791 [0,1,1,0,0,0|2,0,0]=4 2348 B13R1.6 FCCCOCc1cncc(c1)Cl 34a_100000092867_100011934791 [0,1,1,0,0,0|2,0,0]=4 2349 B13R1.6 FCCCOCc1cncc(c1)Cl 34a_100000759539_100016992070 [0,1,1,0,0,0|2,0,0]=4 2350 B13R1.6 FCCCOCc1cncc(c1)Cl 7a_100000092867_100011934791 [0,1,1,0,0,0|2,0,0]=4 2351 B13R1.6 FCCCOCc1cncc(c1)F 34a_100000759539_100000725299 [0,1,1,0,0,0|2,0,0]=4 2352 B13R1.6 FCCCOCc1cncc(c1)F 34a_100011962875_100011934791 [0,1,1,0,0,0|2,0,0]=4 2353 B13R1.6 FCCCOCc1cncc(c1)F 7a_100011962875_100011934791 [0,1,1,0,0,0|2,0,0]=4 2354 B13R1.6 FCCCSCc1cncc(c1)Br 62a_100000738771_100011934791 [0,1,1,0,0,0|2,0,0]=4 2355 B13R1.6 FCCCSCc1cncc(c1)Br 62a_100011934791_100000738771 [0,1,1,0,0,0|2,0,0]=4 2356 B13R1.6 FCCCSCc1cncc(c1)Cl 62a_100011934791_100016992070 [0,1,1,0,0,0|2,0,0]=4 2357 B13R1.6 FCCCSCc1cncc(c1)Cl 62a_100016992070_100011934791 [0,1,1,0,0,0|2,0,0]=4 2358 B13R1.6 FCCCSCc1cncc(c1)F 62a_100000725299_100011934791 [0,1,1,0,0,0|2,0,0]=4 2359 B13R1.6 FCCCSCc1cncc(c1)F 62a_100011934791_100000725299 [0,1,1,0,0,0|2,0,0]=4 2360 B13R1.6 Fc1cncc(c1)COCCCBr 34a_100011217188_100000725299 [0,1,1,0,0,0|2,0,0]=4 2361 B13R1.6 Fc1cncc(c1)COCCCCl 34a_100000230001_100000725299 [0,1,1,0,0,0|2,0,0]=4 2362 B13R1.6 N#CCCNCc1cncc(c1)Br 270004a_100000720768_100000687066 [0,1,1,0,0,0|1,0,1]=4 2363 B13R1.6 N#CCCNCc1cncc(c1)Cl 2230a_200020614424_100011215226 [0,1,1,0,0,0|1,0,1]=4 2364 B13R1.6 N#CCCNCc1cncc(c1)Cl 270004a_100000720768_100000088910 [0,1,1,0,0,0|1,0,1]=4 2365 B13R1.6 N#CCCNCc1cncc(c1)F 2230a_100011962886_100011215226 [0,1,1,0,0,0|1,0,1]=4 2366 B13R1.6 N#CCCNCc1cncc(c1)F 270004a_100000720768_100011361476 [0,1,1,0,0,0|1,0,1]=4 2367 B13R1.6 N#CCCNCc1cncc(c1)O 270004a_100000720768_100012187055 [0,1,1,0,0,0|1,0,1]=4 2368 B13R1.6 NCCCOCc1cccc(c1)Br 34a_100000182051_100000698116 [0,1,1,0,0,0|2,0,0]=4 2369 B13R1.6 NCCCOCc1cccc(c1)Cl 34a_100000182051_100000187163 [0,1,1,0,0,0|2,0,0]=4 2370 B13R1.6 NCCCOCc1cccc(c1)F 34a_100000182051_100000187166 [0,1,1,0,0,0|2,0,0]=4 2371 B13R1.6 NCCCOCc1cccc(c1)I 34a_100000182051_100011218688 [0,1,1,0,0,0|2,0,0]=4 2372 B13R1.6 NCCCOCc1cccc(c1)O 34a_100000182051_100011660834 [0,1,1,0,0,0|2,0,0]=4 2373 B13R1.6 NCCCOCc1cncc(c1)Br 34a_100000182051_100000738771 [0,1,1,0,0,0|1,0,0]=3 2374 B13R1.6 NCCCOCc1cncc(c1)Cl 34a_100000182051_100016992070 [0,1,1,0,0,0|1,0,0]=3 2375 B13R1.6 NCCCOCc1cncc(c1)F 34a_100000182051_100000725299 [0,1,1,0,0,0|1,0,0]=3 2376 B13R1.6 NCCOCCc1cccc(c1)Br 34a_100000210304_100011740638 [0,1,1,0,0,0|2,0,0]=4 2377 B13R1.6 NCCOCCc1cccc(c1)Cl 34a_100000210304_100011713710 [0,1,1,0,0,0|2,0,0]=4 2378 B13R1.6 NCCOCCc1cccc(c1)F 34a_100000210304_100011217235 [0,1,1,0,0,0|2,0,0]=4 2379 B13R1.6 NOCCOCc1cncc(c1)Br 34a_100000700252_100000738771 [0,1,1,0,0,0|2,0,0]=4 2380 B13R1.6 NOCCOCc1cncc(c1)Cl 34a_100000700252_100016992070 [0,1,1,0,0,0|2,0,0]=4 2381 B13R1.6 NOCCOCc1cncc(c1)F 34a_100000700252_100000725299 [0,1,1,0,0,0|2,0,0]=4 2382 B13R1.6 Nc1cncc(c1)COCCCF 34a_100000085308_100011934791 [0,1,1,0,0,0|2,0,0]=4 2383 B13R1.6 Nc1cncc(c1)COCCCO 34a_100000085308_100000230001 [0,1,1,0,0,0|2,0,0]=4 2384 B13R1.6 Nc1cncc(c1)OCCCCF 34a_100011997051_100000729493 [0,1,1,0,0,0|2,0,0]=4 2385 B13R1.6 Nc1cncc(c1)OCCCCO 34a_100011997051_100011216708 [0,1,1,0,0,0|2,0,0]=4 2386 B13R1.6 Nc1cncc(c1)SCCCCF 62a_100000687067_100000729493 [0,1,1,0,0,0|2,0,0]=4 2387 B13R1.6 Nc1cncc(c1)SCCCCF 62a_100000729493_100000687067 [0,1,1,0,0,0|2,0,0]=4 2388 B13R1.6 Nc1cncc(c1)SCCCCO 62a_100000210776_100000687067 [0,1,1,0,0,0|2,0,0]=4 2389 B13R1.6 Nc1cncc(c1)SCCCCO 62a_100000687067_100000210776 [0,1,1,0,0,0|2,0,0]=4 2390 B13R1.6 OCCCCOc1cncc(c1)Br 34a_100000754920_100011216708 [0,1,1,0,0,0|2,0,0]=4 2391 B13R1.6 OCCCCOc1cncc(c1)Br 7a_100000754920_100000210776 [0,1,1,0,0,0|2,0,0]=4 2392 B13R1.6 OCCCCOc1cncc(c1)Cl 7a_100000032511_100000210776 [0,1,1,0,0,0|2,0,0]=4 2393 B13R1.6 OCCCCOc1cncc(c1)F 34a_100011830296_100011216708 [0,1,1,0,0,0|2,0,0]=4 2394 B13R1.6 OCCCCOc1cncc(c1)F 7a_100011830296_100000210776 [0,1,1,0,0,0|2,0,0]=4 2395 B13R1.6 OCCCCSc1cncc(c1)Br 62a_100000210776_100000728054 [0,1,1,0,0,0|2,0,0]=4 2396 B13R1.6 OCCCCSc1cncc(c1)Br 62a_100000728054_100000210776 [0,1,1,0,0,0|2,0,0]=4 2397 B13R1.6 OCCCCSc1cncc(c1)Cl 62a_100000049639_100000210776 [0,1,1,0,0,0|2,0,0]=4 2398 B13R1.6 OCCCCSc1cncc(c1)Cl 62a_100000210776_100000049639 [0,1,1,0,0,0|2,0,0]=4 2399 B13R1.6 OCCCCSc1cncc(c1)F 62a_100000210776_100000744099 [0,1,1,0,0,0|2,0,0]=4 2400 B13R1.6 OCCCCSc1cncc(c1)F 62a_100000744099_100000210776 [0,1,1,0,0,0|2,0,0]=4 2401 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000210776_100000754920 [0,1,1,0,0,0|2,0,0]=4 2402 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000754920_100000210776 [0,1,1,0,0,0|2,0,0]=4 2403 B13R1.6 OCCCNCc1cccc(c1)Br 207a_100000182051_100000210085 [0,1,1,0,0,0|2,0,0]=4 2404 B13R1.6 OCCCNCc1cccc(c1)Br 2230a_100000174977_100000230001 [0,1,1,0,0,0|2,0,0]=4 2405 B13R1.6 OCCCNCc1cccc(c1)Br 270004a_100000182051_100000210085 [0,1,1,0,0,0|2,0,0]=4 2406 B13R1.6 OCCCNCc1cccc(c1)Br 34a_100000174977_100000230001 [0,1,1,0,0,0|2,0,0]=4 2407 B13R1.6 OCCCNCc1cccc(c1)Cl 207a_100000182051_100000210801 [0,1,1,0,0,0|2,0,0]=4 2408 B13R1.6 OCCCNCc1cccc(c1)Cl 2230a_100000174878_100000230001 [0,1,1,0,0,0|2,0,0]=4 2409 B13R1.6 OCCCNCc1cccc(c1)Cl 270004a_100000182051_100000210801 [0,1,1,0,0,0|2,0,0]=4 2410 B13R1.6 OCCCNCc1cccc(c1)Cl 34a_100000174878_100000230001 [0,1,1,0,0,0|2,0,0]=4 2411 B13R1.6 OCCCNCc1cccc(c1)F 207a_100000182051_100000210812 [0,1,1,0,0,0|2,0,0]=4 2412 B13R1.6 OCCCNCc1cccc(c1)F 2230a_100000174948_100000230001 [0,1,1,0,0,0|2,0,0]=4 2413 B13R1.6 OCCCNCc1cccc(c1)F 270004a_100000182051_100000210812 [0,1,1,0,0,0|2,0,0]=4 2414 B13R1.6 OCCCNCc1cccc(c1)F 34a_100000174948_100000230001 [0,1,1,0,0,0|2,0,0]=4 2415 B13R1.6 OCCCNCc1cccc(c1)I 207a_100000182051_100000014684 [0,1,1,0,0,0|2,0,0]=4 2416 B13R1.6 OCCCNCc1cccc(c1)I 2230a_100000106179_100000230001 [0,1,1,0,0,0|2,0,0]=4 2417 B13R1.6 OCCCNCc1cccc(c1)I 270004a_100000182051_100000014684 [0,1,1,0,0,0|2,0,0]=4 2418 B13R1.6 OCCCNCc1cccc(c1)I 34a_100000106179_100000230001 [0,1,1,0,0,0|2,0,0]=4 2419 B13R1.6 OCCCNCc1cccc(c1)O 207a_100000182051_100000188321 [0,1,1,0,0,0|2,0,0]=4 2420 B13R1.6 OCCCNCc1cccc(c1)O 2230a_100000743036_100000230001 [0,1,1,0,0,0|2,0,0]=4 2421 B13R1.6 OCCCNCc1cccc(c1)O 270004a_100000182051_100000188321 [0,1,1,0,0,0|2,0,0]=4 2422 B13R1.6 OCCCNCc1cccc(c1)O 34a_100000743036_100000230001 [0,1,1,0,0,0|2,0,0]=4 2423 B13R1.6 OCCCNCc1cncc(c1)Br 207a_100000182051_100000687066 [0,1,1,0,0,0|1,0,0]=3 2424 B13R1.6 OCCCNCc1cncc(c1)Br 270004a_100000182051_100000687066 [0,1,1,0,0,0|1,0,0]=3 2425 B13R1.6 OCCCNCc1cncc(c1)Cl 207a_100000182051_100000088910 [0,1,1,0,0,0|1,0,0]=3 2426 B13R1.6 OCCCNCc1cncc(c1)Cl 2230a_200020614424_100000230001 [0,1,1,0,0,0|1,0,0]=3 2427 B13R1.6 OCCCNCc1cncc(c1)Cl 270004a_100000182051_100000088910 [0,1,1,0,0,0|1,0,0]=3 2428 B13R1.6 OCCCNCc1cncc(c1)F 207a_100000182051_100011361476 [0,1,1,0,0,0|1,0,0]=3 2429 B13R1.6 OCCCNCc1cncc(c1)F 2230a_100011962886_100000230001 [0,1,1,0,0,0|1,0,0]=3 2430 B13R1.6 OCCCNCc1cncc(c1)F 270004a_100000182051_100011361476 [0,1,1,0,0,0|1,0,0]=3 2431 B13R1.6 OCCCNCc1cncc(c1)F 34a_100011962886_100000230001 [0,1,1,0,0,0|1,0,0]=3 2432 B13R1.6 OCCCNCc1cncc(c1)O 207a_100000182051_100012187055 [0,1,1,0,0,0|1,0,0]=3 2433 B13R1.6 OCCCNCc1cncc(c1)O 270004a_100000182051_100012187055 [0,1,1,0,0,0|1,0,0]=3 2434 B13R1.6 OCCCOCc1cncc(c1)Br 34a_100011259137_100000230001 [0,1,1,0,0,0|2,0,0]=4 2435 B13R1.6 OCCCOCc1cncc(c1)Br 7a_100011259137_100011215043 [0,1,1,0,0,0|2,0,0]=4 2436 B13R1.6 OCCCOCc1cncc(c1)Cl 34a_100000092867_100000230001 [0,1,1,0,0,0|2,0,0]=4 2437 B13R1.6 OCCCOCc1cncc(c1)Cl 7a_100000092867_100011215043 [0,1,1,0,0,0|2,0,0]=4 2438 B13R1.6 OCCCOCc1cncc(c1)F 34a_100011962875_100000230001 [0,1,1,0,0,0|2,0,0]=4 2439 B13R1.6 OCCCOCc1cncc(c1)F 7a_100011962875_100011215043 [0,1,1,0,0,0|2,0,0]=4 2440 B13R1.6 OCCCSCc1cncc(c1)Br 62a_100000738771_100011215043 [0,1,1,0,0,0|2,0,0]=4 2441 B13R1.6 OCCCSCc1cncc(c1)Br 62a_100011215043_100000738771 [0,1,1,0,0,0|2,0,0]=4 2442 B13R1.6 OCCCSCc1cncc(c1)Cl 62a_100011215043_100016992070 [0,1,1,0,0,0|2,0,0]=4 2443 B13R1.6 OCCCSCc1cncc(c1)Cl 62a_100016992070_100011215043 [0,1,1,0,0,0|2,0,0]=4 2444 B13R1.6 OCCCSCc1cncc(c1)F 62a_100000725299_100011215043 [0,1,1,0,0,0|2,0,0]=4 2445 B13R1.6 OCCCSCc1cncc(c1)F 62a_100011215043_100000725299 [0,1,1,0,0,0|2,0,0]=4 2446 B13R1.6 Oc1cccc(c1)CNCCCF 207a_100015189416_100000188321 [0,1,1,0,0,0|2,0,0]=4 2447 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100000743036_100011934791 [0,1,1,0,0,0|2,0,0]=4 2448 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100015189416_100011660834 [0,1,1,0,0,0|2,0,0]=4 2449 B13R1.6 Oc1cccc(c1)CNCCCF 270004a_100015189416_100000188321 [0,1,1,0,0,0|2,0,0]=4 2450 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100000743036_100011934791 [0,1,1,0,0,0|2,0,0]=4 2451 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100015189416_100011660834 [0,1,1,0,0,0|2,0,0]=4 2452 B13R1.6 Oc1cncc(c1)CNCCCF 207a_100015189416_100012187055 [0,1,1,0,0,0|1,0,0]=3 2453 B13R1.6 Oc1cncc(c1)CNCCCF 270004a_100015189416_100012187055 [0,1,1,0,0,0|1,0,0]=3 2454 B13R1.6 Oc1cncc(c1)SCCCCF 62a_100000729493_100000754920 [0,1,1,0,0,0|2,0,0]=4 2455 B13R1.6 Oc1cncc(c1)SCCCCF 62a_100000754920_100000729493 [0,1,1,0,0,0|2,0,0]=4 2456 B13R1.6 [13CH3]OCCNCc1cccc(c1)Cl 34a_100000719050_200025704644 [0,1,1,0,0,0|2,0,0]=4 2457 B13R1.9 BrCCCOCc1ccc(nc1)Br 34a_100011217188_100009831999 [0,1,1,0,0,0|2,0,0]=4 2458 B13R1.9 C#CCCNCc1ccc(nc1)Br 2230a_100009817727_100000688953 [0,1,1,0,0,0|0,0,2]=4 2459 B13R1.9 C#CCCNCc1ccc(nc1)Br 34a_100000755551_100009831999 [0,1,1,0,0,0|0,0,2]=4 2460 B13R1.9 C#CCCNCc1ccc(nc1)Br 34a_100009817727_100000688953 [0,1,1,0,0,0|0,0,2]=4 2461 B13R1.9 C#CCCNCc1ccc(nc1)C 34a_100000740942_100000688953 [0,1,1,0,0,0|0,0,2]=4 2462 B13R1.9 C#CCCNCc1ccc(nc1)C 34a_100000755551_100016987292 [0,1,1,0,0,0|0,0,2]=4 2463 B13R1.9 C#CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000688953 [0,1,1,0,0,0|0,0,2]=4 2464 B13R1.9 C#CCCNCc1ccc(nc1)Cl 34a_100000735879_100000688953 [0,1,1,0,0,0|0,0,2]=4 2465 B13R1.9 C#CCCNCc1ccc(nc1)Cl 34a_100000755551_100000735431 [0,1,1,0,0,0|0,0,2]=4 2466 B13R1.9 C#CCCNCc1ccc(nc1)F 2230a_100000101913_100000688953 [0,1,1,0,0,0|0,0,2]=4 2467 B13R1.9 C#CCCNCc1ccc(nc1)F 34a_100000101913_100000688953 [0,1,1,0,0,0|0,0,2]=4 2468 B13R1.9 C#CCCNCc1ccc(nc1)F 34a_100000755551_100000099788 [0,1,1,0,0,0|0,0,2]=4 2469 B13R1.9 C#CCCNCc1ccc(nc1)O 2230a_100000757128_100000688953 [0,1,1,0,0,0|0,0,2]=4 2470 B13R1.9 C/C=C/CNCc1ccc(nc1)Br 34a_100009817727_100102629194 [0,1,1,0,0,0|0,0,2]=4 2471 B13R1.9 C/C=C/CNCc1ccc(nc1)C 34a_100000740942_100102629194 [0,1,1,0,0,0|0,0,2]=4 2472 B13R1.9 C/C=C/CNCc1ccc(nc1)Cl 34a_100000735879_100102629194 [0,1,1,0,0,0|0,0,2]=4 2473 B13R1.9 C/C=C/CNCc1ccc(nc1)F 34a_100000101913_100102629194 [0,1,1,0,0,0|0,0,2]=4 2474 B13R1.9 C=CCCNCc1ccc(nc1)Br 2230a_100009817727_100000754431 [0,1,1,0,0,0|0,0,2]=4 2475 B13R1.9 C=CCCNCc1ccc(nc1)Br 2230a_100015191253_100009831999 [0,1,1,0,0,0|0,0,2]=4 2476 B13R1.9 C=CCCNCc1ccc(nc1)Br 34a_100009817727_100000754431 [0,1,1,0,0,0|0,0,2]=4 2477 B13R1.9 C=CCCNCc1ccc(nc1)C 2230a_100015191253_100016987292 [0,1,1,0,0,0|0,0,2]=4 2478 B13R1.9 C=CCCNCc1ccc(nc1)C 270004a_100015191253_100000743784 [0,1,1,0,0,0|0,0,2]=4 2479 B13R1.9 C=CCCNCc1ccc(nc1)C 34a_100000740942_100000754431 [0,1,1,0,0,0|0,0,2]=4 2480 B13R1.9 C=CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000754431 [0,1,1,0,0,0|0,0,2]=4 2481 B13R1.9 C=CCCNCc1ccc(nc1)Cl 2230a_100015191253_100000735431 [0,1,1,0,0,0|0,0,2]=4 2482 B13R1.9 C=CCCNCc1ccc(nc1)Cl 34a_100000735879_100000754431 [0,1,1,0,0,0|0,0,2]=4 2483 B13R1.9 C=CCCNCc1ccc(nc1)F 2230a_100000101913_100000754431 [0,1,1,0,0,0|0,0,2]=4 2484 B13R1.9 C=CCCNCc1ccc(nc1)F 2230a_100015191253_100009820150 [0,1,1,0,0,0|0,0,2]=4 2485 B13R1.9 C=CCCNCc1ccc(nc1)F 34a_100000101913_100000754431 [0,1,1,0,0,0|0,0,2]=4 2486 B13R1.9 C=CCCNCc1ccc(nc1)O 207a_100015191253_100011361521 [0,1,1,0,0,0|0,0,2]=4 2487 B13R1.9 C=CCCNCc1ccc(nc1)O 2230a_100000757128_100000754431 [0,1,1,0,0,0|0,0,2]=4 2488 B13R1.9 CC#CCNCc1ccc(nc1)Br 2230a_100000685387_100009831999 [0,1,1,0,0,0|0,0,2]=4 2489 B13R1.9 CC#CCNCc1ccc(nc1)Br 2230a_100009817727_100000748600 [0,1,1,0,0,0|0,0,2]=4 2490 B13R1.9 CC#CCNCc1ccc(nc1)Br 34a_100000685387_100009831999 [0,1,1,0,0,0|0,0,2]=4 2491 B13R1.9 CC#CCNCc1ccc(nc1)Br 34a_100009817727_100000748600 [0,1,1,0,0,0|0,0,2]=4 2492 B13R1.9 CC#CCNCc1ccc(nc1)C 2230a_100000685387_100016987292 [0,1,1,0,0,0|0,0,2]=4 2493 B13R1.9 CC#CCNCc1ccc(nc1)C 34a_100000685387_100016987292 [0,1,1,0,0,0|0,0,2]=4 2494 B13R1.9 CC#CCNCc1ccc(nc1)C 34a_100000740942_100000748600 [0,1,1,0,0,0|0,0,2]=4 2495 B13R1.9 CC#CCNCc1ccc(nc1)Cl 2230a_100000685387_100000735431 [0,1,1,0,0,0|0,0,2]=4 2496 B13R1.9 CC#CCNCc1ccc(nc1)Cl 2230a_100000735879_100000748600 [0,1,1,0,0,0|0,0,2]=4 2497 B13R1.9 CC#CCNCc1ccc(nc1)Cl 34a_100000685387_100000735431 [0,1,1,0,0,0|0,0,2]=4 2498 B13R1.9 CC#CCNCc1ccc(nc1)Cl 34a_100000735879_100000748600 [0,1,1,0,0,0|0,0,2]=4 2499 B13R1.9 CC#CCNCc1ccc(nc1)F 2230a_100000101913_100000748600 [0,1,1,0,0,0|0,0,2]=4 2500 B13R1.9 CC#CCNCc1ccc(nc1)F 2230a_100000685387_100009820150 [0,1,1,0,0,0|0,0,2]=4 2501 B13R1.9 CC#CCNCc1ccc(nc1)F 34a_100000101913_100000748600 [0,1,1,0,0,0|0,0,2]=4 2502 B13R1.9 CC#CCNCc1ccc(nc1)F 34a_100000685387_100000099788 [0,1,1,0,0,0|0,0,2]=4 2503 B13R1.9 CC#CCNCc1ccc(nc1)O 2230a_100000757128_100000748600 [0,1,1,0,0,0|0,0,2]=4 2504 B13R1.9 CC=CCNCc1ccc(nc1)Br 2230a_100009817727_100000070051 [0,1,1,0,0,0|0,0,2]=4 2505 B13R1.9 CC=CCNCc1ccc(nc1)Br 34a_100009817727_100000070051 [0,1,1,0,0,0|0,0,2]=4 2506 B13R1.9 CC=CCNCc1ccc(nc1)C 34a_100000740942_100000070051 [0,1,1,0,0,0|0,0,2]=4 2507 B13R1.9 CC=CCNCc1ccc(nc1)Cl 2230a_100000735879_100000070051 [0,1,1,0,0,0|0,0,2]=4 2508 B13R1.9 CC=CCNCc1ccc(nc1)Cl 34a_100000735879_100000070051 [0,1,1,0,0,0|0,0,2]=4 2509 B13R1.9 CC=CCNCc1ccc(nc1)F 2230a_100000101913_100000070051 [0,1,1,0,0,0|0,0,2]=4 2510 B13R1.9 CC=CCNCc1ccc(nc1)F 34a_100000101913_100000070051 [0,1,1,0,0,0|0,0,2]=4 2511 B13R1.9 CC=CCNCc1ccc(nc1)O 2230a_100000757128_100000070051 [0,1,1,0,0,0|0,0,2]=4 2512 B13R1.9 CCCCC=Cc1ccc(nc1)Br 271570a_100016275911_100009814638 [0,1,1,0,0,0|1,0,1]=4 2513 B13R1.9 CCCCC=Cc1ccc(nc1)C 271570a_100016275911_100000751577 [0,1,1,0,0,0|1,0,1]=4 2514 B13R1.9 CCCCC=Cc1ccc(nc1)Cl 271570a_100016275911_100000034144 [0,1,1,0,0,0|1,0,1]=4 2515 B13R1.9 CCCCC=Cc1ccc(nc1)F 271570a_100016275911_100000748661 [0,1,1,0,0,0|1,0,1]=4 2516 B13R1.9 CCCCC=Cc1ccc(nc1)N 271570a_100016275911_100000187370 [0,1,1,0,0,0|1,0,1]=4 2517 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [0,1,1,0,0,0|2,0,0]=4 2518 B13R1.9 CCCCCOc1ccc(nc1)Br 34a_100000685995_100000718602 [0,1,1,0,0,0|2,0,0]=4 2519 B13R1.9 CCCCCOc1ccc(nc1)Br 7a_100000685995_100000210326 [0,1,1,0,0,0|2,0,0]=4 2520 B13R1.9 CCCCCOc1ccc(nc1)C 34a_100000745506_100000718602 [0,1,1,0,0,0|2,0,0]=4 2521 B13R1.9 CCCCCOc1ccc(nc1)C 7a_100000745506_100000210326 [0,1,1,0,0,0|2,0,0]=4 2522 B13R1.9 CCCCCOc1ccc(nc1)Cl 34a_100000744096_100000718602 [0,1,1,0,0,0|2,0,0]=4 2523 B13R1.9 CCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210326 [0,1,1,0,0,0|2,0,0]=4 2524 B13R1.9 CCCCCOc1ccc(nc1)F 34a_100000688820_100000718602 [0,1,1,0,0,0|2,0,0]=4 2525 B13R1.9 CCCCCOc1ccc(nc1)F 7a_100000688820_100000210326 [0,1,1,0,0,0|2,0,0]=4 2526 B13R1.9 CCCCCOc1ccc(nc1)I 34a_100000687607_100000718602 [0,1,1,0,0,0|2,0,0]=4 2527 B13R1.9 CCCCCOc1ccc(nc1)I 7a_100000687607_100000210326 [0,1,1,0,0,0|2,0,0]=4 2528 B13R1.9 CCCCCOc1ccc(nc1)N 34a_100015188713_100000718602 [0,1,1,0,0,0|2,0,0]=4 2529 B13R1.9 CCCCCOc1ccc(nc1)N 7a_100015188713_100000210326 [0,1,1,0,0,0|2,0,0]=4 2530 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100000210326_100009814638 [0,1,1,0,0,0|2,0,0]=4 2531 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100009814638_100000210326 [0,1,1,0,0,0|2,0,0]=4 2532 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000210326_100000751577 [0,1,1,0,0,0|2,0,0]=4 2533 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000751577_100000210326 [0,1,1,0,0,0|2,0,0]=4 2534 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210326 [0,1,1,0,0,0|2,0,0]=4 2535 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000210326_100000034144 [0,1,1,0,0,0|2,0,0]=4 2536 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000042367_100000210326 [0,1,1,0,0,0|2,0,0]=4 2537 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000210326_100000042367 [0,1,1,0,0,0|2,0,0]=4 2538 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000187370_100000210326 [0,1,1,0,0,0|2,0,0]=4 2539 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000210326_100000187370 [0,1,1,0,0,0|2,0,0]=4 2540 B13R1.9 CCCCNCc1ccc(=O)[nH]n1 207a_100000102301_100011361533 [0,1,1,0,0,0|1,0,1]=4 2541 B13R1.9 CCCCNCc1ccc(=O)[nH]n1 270004a_100000102301_100011361533 [0,1,1,0,0,0|1,0,1]=4 2542 B13R1.9 CCCCNCc1ccc(cc1)Br 207a_100000102301_100000186029 [0,1,1,0,0,0|1,0,0]=3 2543 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000102301_100011217064 [0,1,1,0,0,0|1,0,0]=3 2544 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210211 [0,1,1,0,0,0|1,0,0]=3 2545 B13R1.9 CCCCNCc1ccc(cc1)Br 270004a_100000102301_100000186029 [0,1,1,0,0,0|1,0,0]=3 2546 B13R1.9 CCCCNCc1ccc(cc1)Br 34a_100000174875_100000210210 [0,1,1,0,0,0|1,0,0]=3 2547 B13R1.9 CCCCNCc1ccc(cc1)Br 7a_106832991798_100011217064 [0,1,1,0,0,0|1,0,0]=3 2548 B13R1.9 CCCCNCc1ccc(cc1)C 207a_100000102301_100000211033 [0,1,1,0,0,0|1,0,0]=3 2549 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000102301_100000210814 [0,1,1,0,0,0|1,0,0]=3 2550 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000174908_100000210211 [0,1,1,0,0,0|1,0,0]=3 2551 B13R1.9 CCCCNCc1ccc(cc1)C 270004a_100000102301_100000211033 [0,1,1,0,0,0|1,0,0]=3 2552 B13R1.9 CCCCNCc1ccc(cc1)C 34a_100000174908_100000210210 [0,1,1,0,0,0|1,0,0]=3 2553 B13R1.9 CCCCNCc1ccc(cc1)C 7a_106832991798_100000210814 [0,1,1,0,0,0|1,0,0]=3 2554 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [0,1,1,0,0,0|1,0,0]=3 2555 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [0,1,1,0,0,0|1,0,0]=3 2556 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [0,1,1,0,0,0|1,0,0]=3 2557 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [0,1,1,0,0,0|1,0,0]=3 2558 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [0,1,1,0,0,0|1,0,0]=3 2559 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [0,1,1,0,0,0|1,0,0]=3 2560 B13R1.9 CCCCNCc1ccc(cc1)F 207a_100000102301_100000210084 [0,1,1,0,0,0|1,0,0]=3 2561 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000102301_100000198546 [0,1,1,0,0,0|1,0,0]=3 2562 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000174882_100000210211 [0,1,1,0,0,0|1,0,0]=3 2563 B13R1.9 CCCCNCc1ccc(cc1)F 270004a_100000102301_100000210084 [0,1,1,0,0,0|1,0,0]=3 2564 B13R1.9 CCCCNCc1ccc(cc1)F 34a_100000174882_100000210210 [0,1,1,0,0,0|1,0,0]=3 2565 B13R1.9 CCCCNCc1ccc(cc1)F 7a_106832991798_100000198546 [0,1,1,0,0,0|1,0,0]=3 2566 B13R1.9 CCCCNCc1ccc(cc1)I 207a_100000102301_100000188517 [0,1,1,0,0,0|1,0,0]=3 2567 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100000102301_100000189116 [0,1,1,0,0,0|1,0,0]=3 2568 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100016989417_100000210211 [0,1,1,0,0,0|1,0,0]=3 2569 B13R1.9 CCCCNCc1ccc(cc1)I 34a_100016989417_100000210210 [0,1,1,0,0,0|1,0,0]=3 2570 B13R1.9 CCCCNCc1ccc(cc1)I 7a_106832991798_100000189116 [0,1,1,0,0,0|1,0,0]=3 2571 B13R1.9 CCCCNCc1ccc(cc1)O 271570a_203496583355_100015187156 [0,1,1,0,0,0|1,0,0]=3 2572 B13R1.9 CCCCNCc1ccc(cc1)O 34a_100000185549_100000210210 [0,1,1,0,0,0|1,0,0]=3 2573 B13R1.9 CCCCNCc1ccc(cn1)Br 207a_100000102301_100000754260 [0,1,1,0,0,0|2,0,0]=4 2574 B13R1.9 CCCCNCc1ccc(cn1)Br 2230a_100000102301_100000702658 [0,1,1,0,0,0|2,0,0]=4 2575 B13R1.9 CCCCNCc1ccc(cn1)Br 270004a_100000102301_100000754260 [0,1,1,0,0,0|2,0,0]=4 2576 B13R1.9 CCCCNCc1ccc(cn1)Br 34a_100015188789_100000210210 [0,1,1,0,0,0|2,0,0]=4 2577 B13R1.9 CCCCNCc1ccc(cn1)Br 7a_106832991798_100000702658 [0,1,1,0,0,0|2,0,0]=4 2578 B13R1.9 CCCCNCc1ccc(cn1)C 207a_100000102301_100000050478 [0,1,1,0,0,0|2,0,0]=4 2579 B13R1.9 CCCCNCc1ccc(cn1)C 2230a_100000102301_100000691093 [0,1,1,0,0,0|2,0,0]=4 2580 B13R1.9 CCCCNCc1ccc(cn1)C 270004a_100000102301_100000050478 [0,1,1,0,0,0|2,0,0]=4 2581 B13R1.9 CCCCNCc1ccc(cn1)C 34a_100015187455_100000210210 [0,1,1,0,0,0|2,0,0]=4 2582 B13R1.9 CCCCNCc1ccc(cn1)C 7a_106832991798_100000691093 [0,1,1,0,0,0|2,0,0]=4 2583 B13R1.9 CCCCNCc1ccc(cn1)Cl 207a_100000102301_100011361569 [0,1,1,0,0,0|2,0,0]=4 2584 B13R1.9 CCCCNCc1ccc(cn1)Cl 2230a_100000102301_100012066911 [0,1,1,0,0,0|2,0,0]=4 2585 B13R1.9 CCCCNCc1ccc(cn1)Cl 270004a_100000102301_100011361569 [0,1,1,0,0,0|2,0,0]=4 2586 B13R1.9 CCCCNCc1ccc(cn1)Cl 34a_100000697193_100000210210 [0,1,1,0,0,0|2,0,0]=4 2587 B13R1.9 CCCCNCc1ccc(cn1)Cl 7a_106832991798_100012066911 [0,1,1,0,0,0|2,0,0]=4 2588 B13R1.9 CCCCNCc1ccc(cn1)F 207a_100000102301_100011934744 [0,1,1,0,0,0|2,0,0]=4 2589 B13R1.9 CCCCNCc1ccc(cn1)F 2230a_100000102301_100000703193 [0,1,1,0,0,0|2,0,0]=4 2590 B13R1.9 CCCCNCc1ccc(cn1)F 270004a_100000102301_100011934744 [0,1,1,0,0,0|2,0,0]=4 2591 B13R1.9 CCCCNCc1ccc(cn1)F 34a_100020620131_100000210210 [0,1,1,0,0,0|2,0,0]=4 2592 B13R1.9 CCCCNCc1ccc(cn1)F 7a_106832991798_100000703193 [0,1,1,0,0,0|2,0,0]=4 2593 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100000102301_100009831999 [0,1,1,0,0,0|0,0,0]=2 2594 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210211 [0,1,1,0,0,0|0,0,0]=2 2595 B13R1.9 CCCCNCc1ccc(nc1)Br 34a_100009817727_100000210210 [0,1,1,0,0,0|0,0,0]=2 2596 B13R1.9 CCCCNCc1ccc(nc1)Br 7a_106832991798_100009831999 [0,1,1,0,0,0|0,0,0]=2 2597 B13R1.9 CCCCNCc1ccc(nc1)C 2230a_100000102301_100016987292 [0,1,1,0,0,0|0,0,0]=2 2598 B13R1.9 CCCCNCc1ccc(nc1)C 270004a_100000102301_100000743784 [0,1,1,0,0,0|0,0,0]=2 2599 B13R1.9 CCCCNCc1ccc(nc1)C 34a_100000740942_100000210210 [0,1,1,0,0,0|0,0,0]=2 2600 B13R1.9 CCCCNCc1ccc(nc1)C 7a_106832991798_100016987292 [0,1,1,0,0,0|0,0,0]=2 2601 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000102301_100000735431 [0,1,1,0,0,0|0,0,0]=2 2602 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210211 [0,1,1,0,0,0|0,0,0]=2 2603 B13R1.9 CCCCNCc1ccc(nc1)Cl 34a_100000735879_100000210210 [0,1,1,0,0,0|0,0,0]=2 2604 B13R1.9 CCCCNCc1ccc(nc1)Cl 7a_106832991798_100000735431 [0,1,1,0,0,0|0,0,0]=2 2605 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000101913_100000210211 [0,1,1,0,0,0|0,0,0]=2 2606 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000102301_100009820150 [0,1,1,0,0,0|0,0,0]=2 2607 B13R1.9 CCCCNCc1ccc(nc1)F 34a_100000101913_100000210210 [0,1,1,0,0,0|0,0,0]=2 2608 B13R1.9 CCCCNCc1ccc(nc1)F 7a_106832991798_100009820150 [0,1,1,0,0,0|0,0,0]=2 2609 B13R1.9 CCCCNCc1ccc(nc1)O 207a_100000102301_100011361521 [0,1,1,0,0,0|0,0,0]=2 2610 B13R1.9 CCCCNCc1ccc(nc1)O 2230a_100000757128_100000210211 [0,1,1,0,0,0|0,0,0]=2 2611 B13R1.9 CCCCNCc1ccc(nn1)Cl 2230a_100000102301_100016992710 [0,1,1,0,0,0|1,0,0]=3 2612 B13R1.9 CCCCNCc1ccc(nn1)Cl 270004a_100000102301_100000044651 [0,1,1,0,0,0|1,0,0]=3 2613 B13R1.9 CCCCNCc1ccc(nn1)Cl 7a_106832991798_100016992710 [0,1,1,0,0,0|1,0,0]=3 2614 B13R1.9 CCCCNCc1cnc(cn1)C 2230a_100000102301_100000752025 [0,1,1,0,0,0|1,0,0]=3 2615 B13R1.9 CCCCNCc1cnc(cn1)C 270004a_100000102301_100000685221 [0,1,1,0,0,0|1,0,0]=3 2616 B13R1.9 CCCCNCc1cnc(cn1)C 34a_100132314150_100000210210 [0,1,1,0,0,0|1,0,0]=3 2617 B13R1.9 CCCCNCc1cnc(cn1)C 7a_106832991798_100000752025 [0,1,1,0,0,0|1,0,0]=3 2618 B13R1.9 CCCCNCc1cnc(cn1)Cl 270004a_100000102301_100012001714 [0,1,1,0,0,0|1,0,0]=3 2619 B13R1.9 CCCCNCc1cnc(nc1)C 270004a_100000102301_100011202771 [0,1,1,0,0,0|1,0,0]=3 2620 B13R1.9 CCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210210 [0,1,1,0,0,0|1,0,1]=4 2621 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [0,1,1,0,0,0|2,0,0]=4 2622 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [0,1,1,0,0,0|2,0,0]=4 2623 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [0,1,1,0,0,0|2,0,0]=4 2624 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [0,1,1,0,0,0|2,0,0]=4 2625 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [0,1,1,0,0,0|2,0,0]=4 2626 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [0,1,1,0,0,0|2,0,0]=4 2627 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [0,1,1,0,0,0|2,0,0]=4 2628 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [0,1,1,0,0,0|2,0,0]=4 2629 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [0,1,1,0,0,0|2,0,0]=4 2630 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [0,1,1,0,0,0|2,0,0]=4 2631 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [0,1,1,0,0,0|2,0,0]=4 2632 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [0,1,1,0,0,0|2,0,0]=4 2633 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [0,1,1,0,0,0|2,0,0]=4 2634 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [0,1,1,0,0,0|2,0,0]=4 2635 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [0,1,1,0,0,0|2,0,0]=4 2636 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [0,1,1,0,0,0|2,0,0]=4 2637 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [0,1,1,0,0,0|2,0,0]=4 2638 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [0,1,1,0,0,0|2,0,0]=4 2639 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [0,1,1,0,0,0|2,0,0]=4 2640 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [0,1,1,0,0,0|2,0,0]=4 2641 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100000210227_100009831999 [0,1,1,0,0,0|1,0,0]=3 2642 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100009816760_100000210210 [0,1,1,0,0,0|1,0,0]=3 2643 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100000210227_100009831999 [0,1,1,0,0,0|1,0,0]=3 2644 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100009816760_100000210211 [0,1,1,0,0,0|1,0,0]=3 2645 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100000210227_100016987292 [0,1,1,0,0,0|1,0,0]=3 2646 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100011248133_100000210210 [0,1,1,0,0,0|1,0,0]=3 2647 B13R1.9 CCCCOCc1ccc(nc1)C 7a_100000210227_100016987292 [0,1,1,0,0,0|1,0,0]=3 2648 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000210227_100000735431 [0,1,1,0,0,0|1,0,0]=3 2649 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210210 [0,1,1,0,0,0|1,0,0]=3 2650 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000210227_100000735431 [0,1,1,0,0,0|1,0,0]=3 2651 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210211 [0,1,1,0,0,0|1,0,0]=3 2652 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000079959_100000210210 [0,1,1,0,0,0|1,0,0]=3 2653 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000210227_100000099788 [0,1,1,0,0,0|1,0,0]=3 2654 B13R1.9 CCCCOCc1ccc(nc1)F 7a_100000210227_100009820150 [0,1,1,0,0,0|1,0,0]=3 2655 B13R1.9 CCCCOCc1ccc(nc1)N 34a_100000704267_100000210210 [0,1,1,0,0,0|1,0,0]=3 2656 B13R1.9 CCCCOCc1ccc(nn1)Cl 34a_100000210227_100016992710 [0,1,1,0,0,0|2,0,0]=4 2657 B13R1.9 CCCCOCc1ccc(nn1)Cl 7a_100000210227_100016992710 [0,1,1,0,0,0|2,0,0]=4 2658 B13R1.9 CCCCOCc1cnc(cn1)C 34a_100011273949_100000210210 [0,1,1,0,0,0|2,0,0]=4 2659 B13R1.9 CCCCOCc1cnc(cn1)C 7a_100000210227_100000752025 [0,1,1,0,0,0|2,0,0]=4 2660 B13R1.9 CCCCOCc1cnc(cn1)Cl 34a_100012002382_100000210210 [0,1,1,0,0,0|2,0,0]=4 2661 B13R1.9 CCCCOCc1cnc(nc1)C 34a_100011746891_100000210210 [0,1,1,0,0,0|2,0,0]=4 2662 B13R1.9 CCCCOCc1cnc(nc1)Cl 34a_100009855073_100000210210 [0,1,1,0,0,0|2,0,0]=4 2663 B13R1.9 CCCCOCc1cnc(nc1)Cl 7a_100009855073_100000210211 [0,1,1,0,0,0|2,0,0]=4 2664 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000189115_100000210210 [0,1,1,0,0,0|2,0,0]=4 2665 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000210211_100000189115 [0,1,1,0,0,0|2,0,0]=4 2666 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210211_100000210814 [0,1,1,0,0,0|2,0,0]=4 2667 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210814_100000210210 [0,1,1,0,0,0|2,0,0]=4 2668 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [0,1,1,0,0,0|2,0,0]=4 2669 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [0,1,1,0,0,0|2,0,0]=4 2670 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000198546_100000210210 [0,1,1,0,0,0|2,0,0]=4 2671 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000210211_100000187164 [0,1,1,0,0,0|2,0,0]=4 2672 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000189116_100000210210 [0,1,1,0,0,0|2,0,0]=4 2673 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000210211_100000189116 [0,1,1,0,0,0|2,0,0]=4 2674 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100000210211_100009831999 [0,1,1,0,0,0|1,0,0]=3 2675 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100009831999_100000210210 [0,1,1,0,0,0|1,0,0]=3 2676 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100000210211_100016987292 [0,1,1,0,0,0|1,0,0]=3 2677 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100016987292_100000210210 [0,1,1,0,0,0|1,0,0]=3 2678 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000210211_100000735431 [0,1,1,0,0,0|1,0,0]=3 2679 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210210 [0,1,1,0,0,0|1,0,0]=3 2680 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100000210211_100000099788 [0,1,1,0,0,0|1,0,0]=3 2681 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100009820150_100000210210 [0,1,1,0,0,0|1,0,0]=3 2682 B13R1.9 CCCCSCc1ccc(nn1)Cl 62a_100000210211_100016992710 [0,1,1,0,0,0|2,0,0]=4 2683 B13R1.9 CCCCSCc1ccc(nn1)Cl 62a_100016992710_100000210210 [0,1,1,0,0,0|2,0,0]=4 2684 B13R1.9 CCCCSCc1cnc(cn1)C 62a_100000210211_100000752025 [0,1,1,0,0,0|2,0,0]=4 2685 B13R1.9 CCCCSCc1cnc(cn1)C 62a_100000752025_100000210210 [0,1,1,0,0,0|2,0,0]=4 2686 B13R1.9 CCCOCCc1ccc(nc1)C 34a_100011815783_100000210303 [0,1,1,0,0,0|2,0,0]=4 2687 B13R1.9 CCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210303 [0,1,1,0,0,0|2,0,0]=4 2688 B13R1.9 CCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210303 [0,1,1,0,0,0|2,0,0]=4 2689 B13R1.9 CCOCSCc1ccc(nc1)Br 62a_100000739092_100009831999 [0,1,1,0,0,0|2,0,0]=4 2690 B13R1.9 CCOCSCc1ccc(nc1)Br 62a_100009831999_100000739092 [0,1,1,0,0,0|2,0,0]=4 2691 B13R1.9 CCOCSCc1ccc(nc1)C 62a_100000739092_100016987292 [0,1,1,0,0,0|2,0,0]=4 2692 B13R1.9 CCOCSCc1ccc(nc1)C 62a_100016987292_100000739092 [0,1,1,0,0,0|2,0,0]=4 2693 B13R1.9 CCOCSCc1ccc(nc1)Cl 62a_100000735431_100000739092 [0,1,1,0,0,0|2,0,0]=4 2694 B13R1.9 CCOCSCc1ccc(nc1)Cl 62a_100000739092_100000735431 [0,1,1,0,0,0|2,0,0]=4 2695 B13R1.9 CCOCSCc1ccc(nc1)F 62a_100000739092_100000099788 [0,1,1,0,0,0|2,0,0]=4 2696 B13R1.9 CCOCSCc1ccc(nc1)F 62a_100009820150_100000739092 [0,1,1,0,0,0|2,0,0]=4 2697 B13R1.9 COCCNCc1ccc(cc1)Br 207a_100000209980_100000186029 [0,1,1,0,0,0|2,0,0]=4 2698 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000174875_100011201679 [0,1,1,0,0,0|2,0,0]=4 2699 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000209980_100011217064 [0,1,1,0,0,0|2,0,0]=4 2700 B13R1.9 COCCNCc1ccc(cc1)Br 270004a_100000209980_100000186029 [0,1,1,0,0,0|2,0,0]=4 2701 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000174875_100011201679 [0,1,1,0,0,0|2,0,0]=4 2702 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000186819_200000210301 [0,1,1,0,0,0|2,0,0]=4 2703 B13R1.9 COCCNCc1ccc(cc1)C 207a_100000209980_100000211033 [0,1,1,0,0,0|2,0,0]=4 2704 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000174908_100011201679 [0,1,1,0,0,0|2,0,0]=4 2705 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000209980_100000210814 [0,1,1,0,0,0|2,0,0]=4 2706 B13R1.9 COCCNCc1ccc(cc1)C 270004a_100000209980_100000211033 [0,1,1,0,0,0|2,0,0]=4 2707 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000174908_100011201679 [0,1,1,0,0,0|2,0,0]=4 2708 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000186992_200000210301 [0,1,1,0,0,0|2,0,0]=4 2709 B13R1.9 COCCNCc1ccc(cc1)Cl 207a_100000209980_100000189385 [0,1,1,0,0,0|2,0,0]=4 2710 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000174871_100011201679 [0,1,1,0,0,0|2,0,0]=4 2711 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000209980_100000694040 [0,1,1,0,0,0|2,0,0]=4 2712 B13R1.9 COCCNCc1ccc(cc1)Cl 270004a_100000209980_100000189385 [0,1,1,0,0,0|2,0,0]=4 2713 B13R1.9 COCCNCc1ccc(cc1)Cl 34a_100000174871_100011201679 [0,1,1,0,0,0|2,0,0]=4 2714 B13R1.9 COCCNCc1ccc(cc1)F 207a_100000209980_100000210084 [0,1,1,0,0,0|2,0,0]=4 2715 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000174882_100011201679 [0,1,1,0,0,0|2,0,0]=4 2716 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000209980_100000198546 [0,1,1,0,0,0|2,0,0]=4 2717 B13R1.9 COCCNCc1ccc(cc1)F 270004a_100000209980_100000210084 [0,1,1,0,0,0|2,0,0]=4 2718 B13R1.9 COCCNCc1ccc(cc1)F 34a_100000174882_100011201679 [0,1,1,0,0,0|2,0,0]=4 2719 B13R1.9 COCCNCc1ccc(cc1)F 34a_100015183715_200000210301 [0,1,1,0,0,0|2,0,0]=4 2720 B13R1.9 COCCNCc1ccc(cc1)I 207a_100000209980_100000188517 [0,1,1,0,0,0|2,0,0]=4 2721 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100000209980_100000189116 [0,1,1,0,0,0|2,0,0]=4 2722 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100016989417_100011201679 [0,1,1,0,0,0|2,0,0]=4 2723 B13R1.9 COCCNCc1ccc(cc1)I 34a_100016989417_100011201679 [0,1,1,0,0,0|2,0,0]=4 2724 B13R1.9 COCCNCc1ccc(cc1)O 271570a_203496583355_100015187160 [0,1,1,0,0,0|2,0,0]=4 2725 B13R1.9 COCCNCc1ccc(cc1)O 34a_100000185549_100011201679 [0,1,1,0,0,0|2,0,0]=4 2726 B13R1.9 COCCNCc1ccc(nc1)Br 2230a_100000209980_100009831999 [0,1,1,0,0,0|1,0,0]=3 2727 B13R1.9 COCCNCc1ccc(nc1)Br 2230a_100009817727_100011201679 [0,1,1,0,0,0|1,0,0]=3 2728 B13R1.9 COCCNCc1ccc(nc1)Br 34a_100009817727_100011201679 [0,1,1,0,0,0|1,0,0]=3 2729 B13R1.9 COCCNCc1ccc(nc1)C 2230a_100000209980_100016987292 [0,1,1,0,0,0|1,0,0]=3 2730 B13R1.9 COCCNCc1ccc(nc1)C 270004a_100000209980_100000743784 [0,1,1,0,0,0|1,0,0]=3 2731 B13R1.9 COCCNCc1ccc(nc1)C 34a_100000740942_100011201679 [0,1,1,0,0,0|1,0,0]=3 2732 B13R1.9 COCCNCc1ccc(nc1)Cl 2230a_100000209980_100000735431 [0,1,1,0,0,0|1,0,0]=3 2733 B13R1.9 COCCNCc1ccc(nc1)Cl 2230a_100000735879_100011201679 [0,1,1,0,0,0|1,0,0]=3 2734 B13R1.9 COCCNCc1ccc(nc1)Cl 34a_100000735879_100011201679 [0,1,1,0,0,0|1,0,0]=3 2735 B13R1.9 COCCNCc1ccc(nc1)F 2230a_100000101913_100011201679 [0,1,1,0,0,0|1,0,0]=3 2736 B13R1.9 COCCNCc1ccc(nc1)F 2230a_100000209980_100009820150 [0,1,1,0,0,0|1,0,0]=3 2737 B13R1.9 COCCNCc1ccc(nc1)F 34a_100000101913_100011201679 [0,1,1,0,0,0|1,0,0]=3 2738 B13R1.9 COCCNCc1ccc(nc1)O 207a_100000209980_100011361521 [0,1,1,0,0,0|1,0,0]=3 2739 B13R1.9 COCCNCc1ccc(nc1)O 2230a_100000757128_100011201679 [0,1,1,0,0,0|1,0,0]=3 2740 B13R1.9 COCCNCc1ccc(nn1)Cl 2230a_100000209980_100016992710 [0,1,1,0,0,0|2,0,0]=4 2741 B13R1.9 COCCNCc1ccc(nn1)Cl 270004a_100000209980_100000044651 [0,1,1,0,0,0|2,0,0]=4 2742 B13R1.9 COCCNCc1cnc(cn1)C 2230a_100000209980_100000752025 [0,1,1,0,0,0|2,0,0]=4 2743 B13R1.9 COCCNCc1cnc(cn1)C 270004a_100000209980_100000685221 [0,1,1,0,0,0|2,0,0]=4 2744 B13R1.9 COCCNCc1cnc(cn1)C 34a_100132314150_100011201679 [0,1,1,0,0,0|2,0,0]=4 2745 B13R1.9 COCCNCc1cnc(cn1)Cl 270004a_100000209980_100012001714 [0,1,1,0,0,0|2,0,0]=4 2746 B13R1.9 COCCNCc1cnc(nc1)C 270004a_100000209980_100011202771 [0,1,1,0,0,0|2,0,0]=4 2747 B13R1.9 COCCOCc1ccc(nc1)Br 34a_100000210237_100009831999 [0,1,1,0,0,0|2,0,0]=4 2748 B13R1.9 COCCOCc1ccc(nc1)Br 34a_100009816760_100011201679 [0,1,1,0,0,0|2,0,0]=4 2749 B13R1.9 COCCOCc1ccc(nc1)Br 7a_100009816760_100000233755 [0,1,1,0,0,0|2,0,0]=4 2750 B13R1.9 COCCOCc1ccc(nc1)C 34a_100000210237_100016987292 [0,1,1,0,0,0|2,0,0]=4 2751 B13R1.9 COCCOCc1ccc(nc1)C 34a_100011248133_100011201679 [0,1,1,0,0,0|2,0,0]=4 2752 B13R1.9 COCCOCc1ccc(nc1)Cl 34a_100000210237_100000735431 [0,1,1,0,0,0|2,0,0]=4 2753 B13R1.9 COCCOCc1ccc(nc1)Cl 34a_100000755211_100011201679 [0,1,1,0,0,0|2,0,0]=4 2754 B13R1.9 COCCOCc1ccc(nc1)Cl 7a_100000755211_100000233755 [0,1,1,0,0,0|2,0,0]=4 2755 B13R1.9 COCCOCc1ccc(nc1)F 34a_100000079959_100011201679 [0,1,1,0,0,0|2,0,0]=4 2756 B13R1.9 COCCOCc1ccc(nc1)F 34a_100000210237_100000099788 [0,1,1,0,0,0|2,0,0]=4 2757 B13R1.9 COCCOCc1ccc(nc1)N 34a_100000704267_100011201679 [0,1,1,0,0,0|2,0,0]=4 2758 B13R1.9 COCCSCc1ccc(nc1)Br 62a_100000233755_100009831999 [0,1,1,0,0,0|2,0,0]=4 2759 B13R1.9 COCCSCc1ccc(nc1)Br 62a_100009831999_100000233755 [0,1,1,0,0,0|2,0,0]=4 2760 B13R1.9 COCCSCc1ccc(nc1)C 62a_100000233755_100016987292 [0,1,1,0,0,0|2,0,0]=4 2761 B13R1.9 COCCSCc1ccc(nc1)C 62a_100016987292_100000233755 [0,1,1,0,0,0|2,0,0]=4 2762 B13R1.9 COCCSCc1ccc(nc1)Cl 62a_100000233755_100000735431 [0,1,1,0,0,0|2,0,0]=4 2763 B13R1.9 COCCSCc1ccc(nc1)Cl 62a_100000735431_100000233755 [0,1,1,0,0,0|2,0,0]=4 2764 B13R1.9 COCCSCc1ccc(nc1)F 62a_100000233755_100000099788 [0,1,1,0,0,0|2,0,0]=4 2765 B13R1.9 COCCSCc1ccc(nc1)F 62a_100009820150_100000233755 [0,1,1,0,0,0|2,0,0]=4 2766 B13R1.9 CSCCNCc1ccc(cc1)Br 207a_100020590264_100000186029 [0,1,1,0,0,0|2,0,0]=4 2767 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100000174875_100000751147 [0,1,1,0,0,0|2,0,0]=4 2768 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100020590264_100011217064 [0,1,1,0,0,0|2,0,0]=4 2769 B13R1.9 CSCCNCc1ccc(cc1)Br 270004a_100020590264_100000186029 [0,1,1,0,0,0|2,0,0]=4 2770 B13R1.9 CSCCNCc1ccc(cc1)Br 34a_100000174875_100000212216 [0,1,1,0,0,0|2,0,0]=4 2771 B13R1.9 CSCCNCc1ccc(cc1)C 207a_100020590264_100000211033 [0,1,1,0,0,0|2,0,0]=4 2772 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100000174908_100000751147 [0,1,1,0,0,0|2,0,0]=4 2773 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100020590264_100000210814 [0,1,1,0,0,0|2,0,0]=4 2774 B13R1.9 CSCCNCc1ccc(cc1)C 270004a_100020590264_100000211033 [0,1,1,0,0,0|2,0,0]=4 2775 B13R1.9 CSCCNCc1ccc(cc1)C 34a_100000174908_100000212216 [0,1,1,0,0,0|2,0,0]=4 2776 B13R1.9 CSCCNCc1ccc(cc1)Cl 207a_100020590264_100000189385 [0,1,1,0,0,0|2,0,0]=4 2777 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100000174871_100000751147 [0,1,1,0,0,0|2,0,0]=4 2778 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100020590264_100000694040 [0,1,1,0,0,0|2,0,0]=4 2779 B13R1.9 CSCCNCc1ccc(cc1)Cl 270004a_100020590264_100000189385 [0,1,1,0,0,0|2,0,0]=4 2780 B13R1.9 CSCCNCc1ccc(cc1)Cl 34a_100000174871_100000212216 [0,1,1,0,0,0|2,0,0]=4 2781 B13R1.9 CSCCNCc1ccc(cc1)F 207a_100020590264_100000210084 [0,1,1,0,0,0|2,0,0]=4 2782 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100000174882_100000751147 [0,1,1,0,0,0|2,0,0]=4 2783 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100020590264_100000198546 [0,1,1,0,0,0|2,0,0]=4 2784 B13R1.9 CSCCNCc1ccc(cc1)F 270004a_100020590264_100000210084 [0,1,1,0,0,0|2,0,0]=4 2785 B13R1.9 CSCCNCc1ccc(cc1)F 34a_100000174882_100000212216 [0,1,1,0,0,0|2,0,0]=4 2786 B13R1.9 CSCCNCc1ccc(cc1)I 207a_100020590264_100000188517 [0,1,1,0,0,0|2,0,0]=4 2787 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100016989417_100000751147 [0,1,1,0,0,0|2,0,0]=4 2788 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100020590264_100000189116 [0,1,1,0,0,0|2,0,0]=4 2789 B13R1.9 CSCCNCc1ccc(cc1)I 34a_100016989417_100000212216 [0,1,1,0,0,0|2,0,0]=4 2790 B13R1.9 CSCCNCc1ccc(cc1)O 34a_100000185549_100000212216 [0,1,1,0,0,0|2,0,0]=4 2791 B13R1.9 CSCCNCc1ccc(nc1)Br 2230a_100009817727_100000751147 [0,1,1,0,0,0|1,0,0]=3 2792 B13R1.9 CSCCNCc1ccc(nc1)Br 2230a_100020590264_100009831999 [0,1,1,0,0,0|1,0,0]=3 2793 B13R1.9 CSCCNCc1ccc(nc1)Br 34a_100009817727_100000212216 [0,1,1,0,0,0|1,0,0]=3 2794 B13R1.9 CSCCNCc1ccc(nc1)C 2230a_100020590264_100016987292 [0,1,1,0,0,0|1,0,0]=3 2795 B13R1.9 CSCCNCc1ccc(nc1)C 270004a_100020590264_100000743784 [0,1,1,0,0,0|1,0,0]=3 2796 B13R1.9 CSCCNCc1ccc(nc1)C 34a_100000740942_100000212216 [0,1,1,0,0,0|1,0,0]=3 2797 B13R1.9 CSCCNCc1ccc(nc1)Cl 2230a_100000735879_100000751147 [0,1,1,0,0,0|1,0,0]=3 2798 B13R1.9 CSCCNCc1ccc(nc1)Cl 2230a_100020590264_100000735431 [0,1,1,0,0,0|1,0,0]=3 2799 B13R1.9 CSCCNCc1ccc(nc1)Cl 34a_100000735879_100000212216 [0,1,1,0,0,0|1,0,0]=3 2800 B13R1.9 CSCCNCc1ccc(nc1)F 2230a_100000101913_100000751147 [0,1,1,0,0,0|1,0,0]=3 2801 B13R1.9 CSCCNCc1ccc(nc1)F 2230a_100020590264_100009820150 [0,1,1,0,0,0|1,0,0]=3 2802 B13R1.9 CSCCNCc1ccc(nc1)F 34a_100000101913_100000212216 [0,1,1,0,0,0|1,0,0]=3 2803 B13R1.9 CSCCNCc1ccc(nc1)O 207a_100020590264_100011361521 [0,1,1,0,0,0|1,0,0]=3 2804 B13R1.9 CSCCNCc1ccc(nc1)O 2230a_100000757128_100000751147 [0,1,1,0,0,0|1,0,0]=3 2805 B13R1.9 CSCCNCc1ccc(nn1)Cl 2230a_100020590264_100016992710 [0,1,1,0,0,0|2,0,0]=4 2806 B13R1.9 CSCCNCc1ccc(nn1)Cl 270004a_100020590264_100000044651 [0,1,1,0,0,0|2,0,0]=4 2807 B13R1.9 CSCCNCc1cnc(cn1)C 2230a_100020590264_100000752025 [0,1,1,0,0,0|2,0,0]=4 2808 B13R1.9 CSCCNCc1cnc(cn1)C 270004a_100020590264_100000685221 [0,1,1,0,0,0|2,0,0]=4 2809 B13R1.9 CSCCNCc1cnc(cn1)C 34a_100132314150_100000212216 [0,1,1,0,0,0|2,0,0]=4 2810 B13R1.9 CSCCNCc1cnc(cn1)Cl 270004a_100020590264_100012001714 [0,1,1,0,0,0|2,0,0]=4 2811 B13R1.9 CSCCNCc1cnc(nc1)C 270004a_100020590264_100011202771 [0,1,1,0,0,0|2,0,0]=4 2812 B13R1.9 CSCCOCc1ccc(nc1)Br 34a_100000230434_100009831999 [0,1,1,0,0,0|2,0,0]=4 2813 B13R1.9 CSCCOCc1ccc(nc1)Br 34a_100009816760_100000212216 [0,1,1,0,0,0|2,0,0]=4 2814 B13R1.9 CSCCOCc1ccc(nc1)Br 7a_100000230434_100009831999 [0,1,1,0,0,0|2,0,0]=4 2815 B13R1.9 CSCCOCc1ccc(nc1)Br 7a_100009816760_100000212216 [0,1,1,0,0,0|2,0,0]=4 2816 B13R1.9 CSCCOCc1ccc(nc1)C 34a_100000230434_100016987292 [0,1,1,0,0,0|2,0,0]=4 2817 B13R1.9 CSCCOCc1ccc(nc1)C 34a_100011248133_100000212216 [0,1,1,0,0,0|2,0,0]=4 2818 B13R1.9 CSCCOCc1ccc(nc1)C 7a_100000230434_100016987292 [0,1,1,0,0,0|2,0,0]=4 2819 B13R1.9 CSCCOCc1ccc(nc1)Cl 34a_100000230434_100000735431 [0,1,1,0,0,0|2,0,0]=4 2820 B13R1.9 CSCCOCc1ccc(nc1)Cl 34a_100000755211_100000212216 [0,1,1,0,0,0|2,0,0]=4 2821 B13R1.9 CSCCOCc1ccc(nc1)Cl 7a_100000230434_100000735431 [0,1,1,0,0,0|2,0,0]=4 2822 B13R1.9 CSCCOCc1ccc(nc1)Cl 7a_100000755211_100000212216 [0,1,1,0,0,0|2,0,0]=4 2823 B13R1.9 CSCCOCc1ccc(nc1)F 34a_100000079959_100000212216 [0,1,1,0,0,0|2,0,0]=4 2824 B13R1.9 CSCCOCc1ccc(nc1)F 34a_100000230434_100000099788 [0,1,1,0,0,0|2,0,0]=4 2825 B13R1.9 CSCCOCc1ccc(nc1)F 7a_100000230434_100009820150 [0,1,1,0,0,0|2,0,0]=4 2826 B13R1.9 CSCCOCc1ccc(nc1)N 34a_100000704267_100000212216 [0,1,1,0,0,0|2,0,0]=4 2827 B13R1.9 CSCCSCc1ccc(nc1)Br 62a_100000212216_100009831999 [0,1,1,0,0,0|2,0,0]=4 2828 B13R1.9 CSCCSCc1ccc(nc1)Br 62a_100009831999_100000751147 [0,1,1,0,0,0|2,0,0]=4 2829 B13R1.9 CSCCSCc1ccc(nc1)C 62a_100000212216_100016987292 [0,1,1,0,0,0|2,0,0]=4 2830 B13R1.9 CSCCSCc1ccc(nc1)C 62a_100016987292_100000751147 [0,1,1,0,0,0|2,0,0]=4 2831 B13R1.9 CSCCSCc1ccc(nc1)Cl 62a_100000212216_100000735431 [0,1,1,0,0,0|2,0,0]=4 2832 B13R1.9 CSCCSCc1ccc(nc1)Cl 62a_100000735431_100000751147 [0,1,1,0,0,0|2,0,0]=4 2833 B13R1.9 CSCCSCc1ccc(nc1)F 62a_100000212216_100000099788 [0,1,1,0,0,0|2,0,0]=4 2834 B13R1.9 CSCCSCc1ccc(nc1)F 62a_100009820150_100000751147 [0,1,1,0,0,0|2,0,0]=4 2835 B13R1.9 Cc1ccc(cc1)CCOCCN 34a_100000210304_100011713686 [0,1,1,0,0,0|2,0,0]=4 2836 B13R1.9 Cc1ccc(cc1)CNCCCF 207a_100015189416_100000211033 [0,1,1,0,0,0|2,0,0]=4 2837 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100000174908_100011934791 [0,1,1,0,0,0|2,0,0]=4 2838 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000210814 [0,1,1,0,0,0|2,0,0]=4 2839 B13R1.9 Cc1ccc(cc1)CNCCCF 270004a_100015189416_100000211033 [0,1,1,0,0,0|2,0,0]=4 2840 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100000174908_100011934791 [0,1,1,0,0,0|2,0,0]=4 2841 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100015189416_100000210814 [0,1,1,0,0,0|2,0,0]=4 2842 B13R1.9 Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211033 [0,1,1,0,0,0|2,0,0]=4 2843 B13R1.9 Cc1ccc(cc1)CNCCCO 2230a_100000174908_100000230001 [0,1,1,0,0,0|2,0,0]=4 2844 B13R1.9 Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211033 [0,1,1,0,0,0|2,0,0]=4 2845 B13R1.9 Cc1ccc(cc1)CNCCCO 34a_100000174908_100000230001 [0,1,1,0,0,0|2,0,0]=4 2846 B13R1.9 Cc1ccc(cc1)CNCCO[13CH3] 34a_100000186992_200025704644 [0,1,1,0,0,0|2,0,0]=4 2847 B13R1.9 Cc1ccc(cc1)COCCCN 34a_100000182051_100000210814 [0,1,1,0,0,0|2,0,0]=4 2848 B13R1.9 Cc1ccc(cn1)CCOCCF 34a_100011815783_100011217306 [0,1,1,0,0,0|2,0,0]=4 2849 B13R1.9 Cc1ccc(cn1)CCOCCO 34a_100011815783_100000211926 [0,1,1,0,0,0|2,0,0]=4 2850 B13R1.9 Cc1ccc(cn1)CNCCC#N 270004a_100000720768_100000743784 [0,1,1,0,0,0|1,0,1]=4 2851 B13R1.9 Cc1ccc(cn1)CNCCCF 2230a_100015189416_100016987292 [0,1,1,0,0,0|1,0,0]=3 2852 B13R1.9 Cc1ccc(cn1)CNCCCF 270004a_100015189416_100000743784 [0,1,1,0,0,0|1,0,0]=3 2853 B13R1.9 Cc1ccc(cn1)CNCCCF 34a_100000740942_100011934791 [0,1,1,0,0,0|1,0,0]=3 2854 B13R1.9 Cc1ccc(cn1)CNCCCF 34a_100015189416_100016987292 [0,1,1,0,0,0|1,0,0]=3 2855 B13R1.9 Cc1ccc(cn1)CNCCCO 270004a_100000182051_100000743784 [0,1,1,0,0,0|1,0,0]=3 2856 B13R1.9 Cc1ccc(cn1)CNCCCO 34a_100000740942_100000230001 [0,1,1,0,0,0|1,0,0]=3 2857 B13R1.9 Cc1ccc(cn1)COCCCBr 34a_100011217188_100016987292 [0,1,1,0,0,0|2,0,0]=4 2858 B13R1.9 Cc1ccc(cn1)COCCCCl 34a_100000230001_100016987292 [0,1,1,0,0,0|2,0,0]=4 2859 B13R1.9 Cc1ccc(cn1)COCCCF 34a_100000759539_100016987292 [0,1,1,0,0,0|2,0,0]=4 2860 B13R1.9 Cc1ccc(cn1)COCCCF 34a_100011248133_100011934791 [0,1,1,0,0,0|2,0,0]=4 2861 B13R1.9 Cc1ccc(cn1)COCCCN 34a_100000182051_100016987292 [0,1,1,0,0,0|1,0,0]=3 2862 B13R1.9 Cc1ccc(cn1)COCCCO 34a_100011248133_100000230001 [0,1,1,0,0,0|2,0,0]=4 2863 B13R1.9 Cc1ccc(cn1)COCCON 34a_100000700252_100016987292 [0,1,1,0,0,0|2,0,0]=4 2864 B13R1.9 Cc1ccc(cn1)CSCCCF 62a_100011934791_100016987292 [0,1,1,0,0,0|2,0,0]=4 2865 B13R1.9 Cc1ccc(cn1)CSCCCF 62a_100016987292_100011934791 [0,1,1,0,0,0|2,0,0]=4 2866 B13R1.9 Cc1ccc(cn1)CSCCCO 62a_100011215043_100016987292 [0,1,1,0,0,0|2,0,0]=4 2867 B13R1.9 Cc1ccc(cn1)CSCCCO 62a_100016987292_100011215043 [0,1,1,0,0,0|2,0,0]=4 2868 B13R1.9 Cc1ccc(cn1)OCCCCF 34a_100000745506_100000729493 [0,1,1,0,0,0|2,0,0]=4 2869 B13R1.9 Cc1ccc(cn1)OCCCCF 7a_100000745506_100000729493 [0,1,1,0,0,0|2,0,0]=4 2870 B13R1.9 Cc1ccc(cn1)OCCCCO 34a_100000745506_100011216708 [0,1,1,0,0,0|2,0,0]=4 2871 B13R1.9 Cc1ccc(cn1)OCCCCO 7a_100000745506_100000210776 [0,1,1,0,0,0|2,0,0]=4 2872 B13R1.9 Cc1ccc(cn1)SCCCCF 62a_100000729493_100000751577 [0,1,1,0,0,0|2,0,0]=4 2873 B13R1.9 Cc1ccc(cn1)SCCCCF 62a_100000751577_100000729493 [0,1,1,0,0,0|2,0,0]=4 2874 B13R1.9 Cc1ccc(cn1)SCCCCO 62a_100000210776_100000751577 [0,1,1,0,0,0|2,0,0]=4 2875 B13R1.9 Cc1ccc(cn1)SCCCCO 62a_100000751577_100000210776 [0,1,1,0,0,0|2,0,0]=4 2876 B13R1.9 Cc1cnc(cn1)CNCCCF 2230a_100015189416_100000752025 [0,1,1,0,0,0|2,0,0]=4 2877 B13R1.9 Cc1cnc(cn1)CNCCCF 270004a_100015189416_100000685221 [0,1,1,0,0,0|2,0,0]=4 2878 B13R1.9 Cc1cnc(cn1)CNCCCF 34a_100132314150_100011934791 [0,1,1,0,0,0|2,0,0]=4 2879 B13R1.9 Cc1cnc(cn1)CNCCCO 270004a_100000182051_100000685221 [0,1,1,0,0,0|2,0,0]=4 2880 B13R1.9 Cc1cnc(cn1)CNCCCO 34a_100132314150_100000230001 [0,1,1,0,0,0|2,0,0]=4 2881 B13R1.9 Cc1ncc(cn1)CNCCCF 270004a_100015189416_100011202771 [0,1,1,0,0,0|2,0,0]=4 2882 B13R1.9 Cc1ncc(cn1)CNCCCO 270004a_100000182051_100011202771 [0,1,1,0,0,0|2,0,0]=4 2883 B13R1.9 ClCCCOCc1ccc(nc1)Br 34a_100000230001_100009831999 [0,1,1,0,0,0|2,0,0]=4 2884 B13R1.9 ClCCCOCc1ccc(nc1)Cl 34a_100000230001_100000735431 [0,1,1,0,0,0|2,0,0]=4 2885 B13R1.9 Clc1ccc(cn1)COCCCBr 34a_100011217188_100000735431 [0,1,1,0,0,0|2,0,0]=4 2886 B13R1.9 FCCCCOc1ccc(nc1)Br 34a_100000685995_100000729493 [0,1,1,0,0,0|2,0,0]=4 2887 B13R1.9 FCCCCOc1ccc(nc1)Br 7a_100000685995_100000729493 [0,1,1,0,0,0|2,0,0]=4 2888 B13R1.9 FCCCCOc1ccc(nc1)Cl 34a_100000744096_100000729493 [0,1,1,0,0,0|2,0,0]=4 2889 B13R1.9 FCCCCOc1ccc(nc1)Cl 7a_100000744096_100000729493 [0,1,1,0,0,0|2,0,0]=4 2890 B13R1.9 FCCCCOc1ccc(nc1)F 34a_100000688820_100000729493 [0,1,1,0,0,0|2,0,0]=4 2891 B13R1.9 FCCCCOc1ccc(nc1)F 7a_100000688820_100000729493 [0,1,1,0,0,0|2,0,0]=4 2892 B13R1.9 FCCCCOc1ccc(nc1)I 34a_100000687607_100000729493 [0,1,1,0,0,0|2,0,0]=4 2893 B13R1.9 FCCCCOc1ccc(nc1)I 7a_100000687607_100000729493 [0,1,1,0,0,0|2,0,0]=4 2894 B13R1.9 FCCCCSc1ccc(nc1)Br 62a_100000729493_100009814638 [0,1,1,0,0,0|2,0,0]=4 2895 B13R1.9 FCCCCSc1ccc(nc1)Br 62a_100009814638_100000729493 [0,1,1,0,0,0|2,0,0]=4 2896 B13R1.9 FCCCCSc1ccc(nc1)Cl 62a_100000034144_100000729493 [0,1,1,0,0,0|2,0,0]=4 2897 B13R1.9 FCCCCSc1ccc(nc1)Cl 62a_100000729493_100000034144 [0,1,1,0,0,0|2,0,0]=4 2898 B13R1.9 FCCCCSc1ccc(nc1)F 62a_100000042367_100000729493 [0,1,1,0,0,0|2,0,0]=4 2899 B13R1.9 FCCCCSc1ccc(nc1)F 62a_100000729493_100000042367 [0,1,1,0,0,0|2,0,0]=4 2900 B13R1.9 FCCCNCc1ccc(cc1)Br 207a_100015189416_100000186029 [0,1,1,0,0,0|2,0,0]=4 2901 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100000174875_100011934791 [0,1,1,0,0,0|2,0,0]=4 2902 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100015189416_100011217064 [0,1,1,0,0,0|2,0,0]=4 2903 B13R1.9 FCCCNCc1ccc(cc1)Br 270004a_100015189416_100000186029 [0,1,1,0,0,0|2,0,0]=4 2904 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100000174875_100011934791 [0,1,1,0,0,0|2,0,0]=4 2905 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100015189416_100000189115 [0,1,1,0,0,0|2,0,0]=4 2906 B13R1.9 FCCCNCc1ccc(cc1)Cl 207a_100015189416_100000189385 [0,1,1,0,0,0|2,0,0]=4 2907 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011934791 [0,1,1,0,0,0|2,0,0]=4 2908 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100015189416_100000694040 [0,1,1,0,0,0|2,0,0]=4 2909 B13R1.9 FCCCNCc1ccc(cc1)Cl 270004a_100015189416_100000189385 [0,1,1,0,0,0|2,0,0]=4 2910 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100000174871_100011934791 [0,1,1,0,0,0|2,0,0]=4 2911 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100015189416_100000694040 [0,1,1,0,0,0|2,0,0]=4 2912 B13R1.9 FCCCNCc1ccc(cc1)F 207a_100015189416_100000210084 [0,1,1,0,0,0|2,0,0]=4 2913 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100000174882_100011934791 [0,1,1,0,0,0|2,0,0]=4 2914 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100015189416_100000198546 [0,1,1,0,0,0|2,0,0]=4 2915 B13R1.9 FCCCNCc1ccc(cc1)F 270004a_100015189416_100000210084 [0,1,1,0,0,0|2,0,0]=4 2916 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100000174882_100011934791 [0,1,1,0,0,0|2,0,0]=4 2917 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100015189416_100000198546 [0,1,1,0,0,0|2,0,0]=4 2918 B13R1.9 FCCCNCc1ccc(cc1)I 207a_100015189416_100000188517 [0,1,1,0,0,0|2,0,0]=4 2919 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100015189416_100000189116 [0,1,1,0,0,0|2,0,0]=4 2920 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100016989417_100011934791 [0,1,1,0,0,0|2,0,0]=4 2921 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100015189416_100000189116 [0,1,1,0,0,0|2,0,0]=4 2922 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100016989417_100011934791 [0,1,1,0,0,0|2,0,0]=4 2923 B13R1.9 FCCCNCc1ccc(nc1)Br 2230a_100009817727_100011934791 [0,1,1,0,0,0|1,0,0]=3 2924 B13R1.9 FCCCNCc1ccc(nc1)Br 2230a_100015189416_100009831999 [0,1,1,0,0,0|1,0,0]=3 2925 B13R1.9 FCCCNCc1ccc(nc1)Br 34a_100009817727_100011934791 [0,1,1,0,0,0|1,0,0]=3 2926 B13R1.9 FCCCNCc1ccc(nc1)Br 34a_100015189416_100009831999 [0,1,1,0,0,0|1,0,0]=3 2927 B13R1.9 FCCCNCc1ccc(nc1)Cl 2230a_100000735879_100011934791 [0,1,1,0,0,0|1,0,0]=3 2928 B13R1.9 FCCCNCc1ccc(nc1)Cl 2230a_100015189416_100000735431 [0,1,1,0,0,0|1,0,0]=3 2929 B13R1.9 FCCCNCc1ccc(nc1)Cl 34a_100000735879_100011934791 [0,1,1,0,0,0|1,0,0]=3 2930 B13R1.9 FCCCNCc1ccc(nc1)Cl 34a_100015189416_100000735431 [0,1,1,0,0,0|1,0,0]=3 2931 B13R1.9 FCCCNCc1ccc(nc1)F 2230a_100000101913_100011934791 [0,1,1,0,0,0|1,0,0]=3 2932 B13R1.9 FCCCNCc1ccc(nc1)F 2230a_100015189416_100009820150 [0,1,1,0,0,0|1,0,0]=3 2933 B13R1.9 FCCCNCc1ccc(nc1)F 34a_100000101913_100011934791 [0,1,1,0,0,0|1,0,0]=3 2934 B13R1.9 FCCCNCc1ccc(nc1)F 34a_100015189416_100000099788 [0,1,1,0,0,0|1,0,0]=3 2935 B13R1.9 FCCCNCc1ccc(nn1)Cl 2230a_100015189416_100016992710 [0,1,1,0,0,0|2,0,0]=4 2936 B13R1.9 FCCCNCc1ccc(nn1)Cl 270004a_100015189416_100000044651 [0,1,1,0,0,0|2,0,0]=4 2937 B13R1.9 FCCCNCc1ccc(nn1)Cl 34a_100015189416_100016992710 [0,1,1,0,0,0|2,0,0]=4 2938 B13R1.9 FCCCNCc1cnc(cn1)Cl 270004a_100015189416_100012001714 [0,1,1,0,0,0|2,0,0]=4 2939 B13R1.9 FCCCOCc1ccc(nc1)Br 34a_100000759539_100009831999 [0,1,1,0,0,0|2,0,0]=4 2940 B13R1.9 FCCCOCc1ccc(nc1)Br 34a_100009816760_100011934791 [0,1,1,0,0,0|2,0,0]=4 2941 B13R1.9 FCCCOCc1ccc(nc1)Br 7a_100009816760_100011934791 [0,1,1,0,0,0|2,0,0]=4 2942 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000755211_100011934791 [0,1,1,0,0,0|2,0,0]=4 2943 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000759539_100000735431 [0,1,1,0,0,0|2,0,0]=4 2944 B13R1.9 FCCCOCc1ccc(nc1)Cl 7a_100000755211_100011934791 [0,1,1,0,0,0|2,0,0]=4 2945 B13R1.9 FCCCOCc1ccc(nc1)F 34a_100000079959_100011934791 [0,1,1,0,0,0|2,0,0]=4 2946 B13R1.9 FCCCOCc1ccc(nc1)F 34a_100000759539_100000099788 [0,1,1,0,0,0|2,0,0]=4 2947 B13R1.9 FCCCSCc1ccc(nc1)Br 62a_100009831999_100011934791 [0,1,1,0,0,0|2,0,0]=4 2948 B13R1.9 FCCCSCc1ccc(nc1)Br 62a_100011934791_100009831999 [0,1,1,0,0,0|2,0,0]=4 2949 B13R1.9 FCCCSCc1ccc(nc1)Cl 62a_100000735431_100011934791 [0,1,1,0,0,0|2,0,0]=4 2950 B13R1.9 FCCCSCc1ccc(nc1)Cl 62a_100011934791_100000735431 [0,1,1,0,0,0|2,0,0]=4 2951 B13R1.9 FCCCSCc1ccc(nc1)F 62a_100009820150_100011934791 [0,1,1,0,0,0|2,0,0]=4 2952 B13R1.9 FCCCSCc1ccc(nc1)F 62a_100011934791_100000099788 [0,1,1,0,0,0|2,0,0]=4 2953 B13R1.9 FCCOCCc1ccc(nc1)Cl 34a_100009880866_100011217306 [0,1,1,0,0,0|2,0,0]=4 2954 B13R1.9 FCCOCCc1ccc(nc1)Cl 7a_100009880866_100011217306 [0,1,1,0,0,0|2,0,0]=4 2955 B13R1.9 Fc1ccc(cn1)COCCCBr 34a_100011217188_100000099788 [0,1,1,0,0,0|2,0,0]=4 2956 B13R1.9 Fc1ccc(cn1)COCCCCl 34a_100000230001_100000099788 [0,1,1,0,0,0|2,0,0]=4 2957 B13R1.9 N#CCCNCc1ccc(nc1)Br 2230a_100009817727_100011215226 [0,1,1,0,0,0|1,0,1]=4 2958 B13R1.9 N#CCCNCc1ccc(nc1)Cl 2230a_100000735879_100011215226 [0,1,1,0,0,0|1,0,1]=4 2959 B13R1.9 N#CCCNCc1ccc(nc1)F 2230a_100000101913_100011215226 [0,1,1,0,0,0|1,0,1]=4 2960 B13R1.9 N#CCCNCc1ccc(nc1)O 2230a_100000757128_100011215226 [0,1,1,0,0,0|1,0,1]=4 2961 B13R1.9 NCCCOCc1ccc(cc1)Br 34a_100000182051_100000189115 [0,1,1,0,0,0|2,0,0]=4 2962 B13R1.9 NCCCOCc1ccc(cc1)Cl 34a_100000182051_100000694040 [0,1,1,0,0,0|2,0,0]=4 2963 B13R1.9 NCCCOCc1ccc(cc1)F 34a_100000182051_100000198546 [0,1,1,0,0,0|2,0,0]=4 2964 B13R1.9 NCCCOCc1ccc(cc1)I 34a_100000182051_100000189116 [0,1,1,0,0,0|2,0,0]=4 2965 B13R1.9 NCCCOCc1ccc(nc1)Br 34a_100000182051_100009831999 [0,1,1,0,0,0|1,0,0]=3 2966 B13R1.9 NCCCOCc1ccc(nc1)Cl 34a_100000182051_100000735431 [0,1,1,0,0,0|1,0,0]=3 2967 B13R1.9 NCCCOCc1ccc(nc1)F 34a_100000182051_100000099788 [0,1,1,0,0,0|1,0,0]=3 2968 B13R1.9 NCCCOCc1ccc(nn1)Cl 34a_100000182051_100016992710 [0,1,1,0,0,0|2,0,0]=4 2969 B13R1.9 NCCOCCc1ccc(cc1)Br 34a_100000210304_100011740612 [0,1,1,0,0,0|2,0,0]=4 2970 B13R1.9 NCCOCCc1ccc(cc1)Cl 34a_100000210304_100011713675 [0,1,1,0,0,0|2,0,0]=4 2971 B13R1.9 NCCOCCc1ccc(cc1)F 34a_100000210304_100011217392 [0,1,1,0,0,0|2,0,0]=4 2972 B13R1.9 NOCCOCc1ccc(nc1)Br 34a_100000700252_100009831999 [0,1,1,0,0,0|2,0,0]=4 2973 B13R1.9 NOCCOCc1ccc(nc1)Cl 34a_100000700252_100000735431 [0,1,1,0,0,0|2,0,0]=4 2974 B13R1.9 NOCCOCc1ccc(nc1)F 34a_100000700252_100000099788 [0,1,1,0,0,0|2,0,0]=4 2975 B13R1.9 Nc1ccc(cn1)COCCCF 34a_100000704267_100011934791 [0,1,1,0,0,0|2,0,0]=4 2976 B13R1.9 Nc1ccc(cn1)COCCCO 34a_100000704267_100000230001 [0,1,1,0,0,0|2,0,0]=4 2977 B13R1.9 Nc1ccc(cn1)OCCCCF 34a_100015188713_100000729493 [0,1,1,0,0,0|2,0,0]=4 2978 B13R1.9 Nc1ccc(cn1)OCCCCF 7a_100015188713_100000729493 [0,1,1,0,0,0|2,0,0]=4 2979 B13R1.9 Nc1ccc(cn1)OCCCCO 34a_100015188713_100011216708 [0,1,1,0,0,0|2,0,0]=4 2980 B13R1.9 Nc1ccc(cn1)OCCCCO 7a_100015188713_100000210776 [0,1,1,0,0,0|2,0,0]=4 2981 B13R1.9 Nc1ccc(cn1)SCCCCF 62a_100000187370_100000729493 [0,1,1,0,0,0|2,0,0]=4 2982 B13R1.9 Nc1ccc(cn1)SCCCCF 62a_100000729493_100000187370 [0,1,1,0,0,0|2,0,0]=4 2983 B13R1.9 Nc1ccc(cn1)SCCCCO 62a_100000187370_100000210776 [0,1,1,0,0,0|2,0,0]=4 2984 B13R1.9 Nc1ccc(cn1)SCCCCO 62a_100000210776_100000187370 [0,1,1,0,0,0|2,0,0]=4 2985 B13R1.9 OCCCCOc1ccc(nc1)Br 34a_100000685995_100011216708 [0,1,1,0,0,0|2,0,0]=4 2986 B13R1.9 OCCCCOc1ccc(nc1)Br 7a_100000685995_100000210776 [0,1,1,0,0,0|2,0,0]=4 2987 B13R1.9 OCCCCOc1ccc(nc1)Cl 34a_100000744096_100011216708 [0,1,1,0,0,0|2,0,0]=4 2988 B13R1.9 OCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210776 [0,1,1,0,0,0|2,0,0]=4 2989 B13R1.9 OCCCCOc1ccc(nc1)F 34a_100000688820_100011216708 [0,1,1,0,0,0|2,0,0]=4 2990 B13R1.9 OCCCCOc1ccc(nc1)F 7a_100000688820_100000210776 [0,1,1,0,0,0|2,0,0]=4 2991 B13R1.9 OCCCCOc1ccc(nc1)I 34a_100000687607_100011216708 [0,1,1,0,0,0|2,0,0]=4 2992 B13R1.9 OCCCCOc1ccc(nc1)I 7a_100000687607_100000210776 [0,1,1,0,0,0|2,0,0]=4 2993 B13R1.9 OCCCCSc1ccc(nc1)Br 62a_100000210776_100009814638 [0,1,1,0,0,0|2,0,0]=4 2994 B13R1.9 OCCCCSc1ccc(nc1)Br 62a_100009814638_100000210776 [0,1,1,0,0,0|2,0,0]=4 2995 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210776 [0,1,1,0,0,0|2,0,0]=4 2996 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000210776_100000034144 [0,1,1,0,0,0|2,0,0]=4 2997 B13R1.9 OCCCCSc1ccc(nc1)F 62a_100000042367_100000210776 [0,1,1,0,0,0|2,0,0]=4 2998 B13R1.9 OCCCCSc1ccc(nc1)F 62a_100000210776_100000042367 [0,1,1,0,0,0|2,0,0]=4 2999 B13R1.9 OCCCNCc1ccc(cc1)Br 207a_100000182051_100000186029 [0,1,1,0,0,0|2,0,0]=4 3000 B13R1.9 OCCCNCc1ccc(cc1)Br 2230a_100000174875_100000230001 [0,1,1,0,0,0|2,0,0]=4 3001 B13R1.9 OCCCNCc1ccc(cc1)Br 270004a_100000182051_100000186029 [0,1,1,0,0,0|2,0,0]=4 3002 B13R1.9 OCCCNCc1ccc(cc1)Br 34a_100000174875_100000230001 [0,1,1,0,0,0|2,0,0]=4 3003 B13R1.9 OCCCNCc1ccc(cc1)Cl 207a_100000182051_100000189385 [0,1,1,0,0,0|2,0,0]=4 3004 B13R1.9 OCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000230001 [0,1,1,0,0,0|2,0,0]=4 3005 B13R1.9 OCCCNCc1ccc(cc1)Cl 270004a_100000182051_100000189385 [0,1,1,0,0,0|2,0,0]=4 3006 B13R1.9 OCCCNCc1ccc(cc1)Cl 34a_100000174871_100000230001 [0,1,1,0,0,0|2,0,0]=4 3007 B13R1.9 OCCCNCc1ccc(cc1)F 207a_100000182051_100000210084 [0,1,1,0,0,0|2,0,0]=4 3008 B13R1.9 OCCCNCc1ccc(cc1)F 2230a_100000174882_100000230001 [0,1,1,0,0,0|2,0,0]=4 3009 B13R1.9 OCCCNCc1ccc(cc1)F 270004a_100000182051_100000210084 [0,1,1,0,0,0|2,0,0]=4 3010 B13R1.9 OCCCNCc1ccc(cc1)F 34a_100000174882_100000230001 [0,1,1,0,0,0|2,0,0]=4 3011 B13R1.9 OCCCNCc1ccc(cc1)I 207a_100000182051_100000188517 [0,1,1,0,0,0|2,0,0]=4 3012 B13R1.9 OCCCNCc1ccc(cc1)I 2230a_100016989417_100000230001 [0,1,1,0,0,0|2,0,0]=4 3013 B13R1.9 OCCCNCc1ccc(cc1)I 34a_100016989417_100000230001 [0,1,1,0,0,0|2,0,0]=4 3014 B13R1.9 OCCCNCc1ccc(cc1)O 34a_100000185549_100000230001 [0,1,1,0,0,0|2,0,0]=4 3015 B13R1.9 OCCCNCc1ccc(nc1)Br 2230a_100009817727_100000230001 [0,1,1,0,0,0|1,0,0]=3 3016 B13R1.9 OCCCNCc1ccc(nc1)Br 34a_100009817727_100000230001 [0,1,1,0,0,0|1,0,0]=3 3017 B13R1.9 OCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000230001 [0,1,1,0,0,0|1,0,0]=3 3018 B13R1.9 OCCCNCc1ccc(nc1)Cl 34a_100000735879_100000230001 [0,1,1,0,0,0|1,0,0]=3 3019 B13R1.9 OCCCNCc1ccc(nc1)F 2230a_100000101913_100000230001 [0,1,1,0,0,0|1,0,0]=3 3020 B13R1.9 OCCCNCc1ccc(nc1)F 34a_100000101913_100000230001 [0,1,1,0,0,0|1,0,0]=3 3021 B13R1.9 OCCCNCc1ccc(nc1)O 207a_100000182051_100011361521 [0,1,1,0,0,0|1,0,0]=3 3022 B13R1.9 OCCCNCc1ccc(nc1)O 2230a_100000757128_100000230001 [0,1,1,0,0,0|1,0,0]=3 3023 B13R1.9 OCCCNCc1ccc(nn1)Cl 270004a_100000182051_100000044651 [0,1,1,0,0,0|2,0,0]=4 3024 B13R1.9 OCCCNCc1cnc(cn1)Cl 270004a_100000182051_100012001714 [0,1,1,0,0,0|2,0,0]=4 3025 B13R1.9 OCCCOCc1ccc(nc1)Br 34a_100009816760_100000230001 [0,1,1,0,0,0|2,0,0]=4 3026 B13R1.9 OCCCOCc1ccc(nc1)Br 7a_100009816760_100011215043 [0,1,1,0,0,0|2,0,0]=4 3027 B13R1.9 OCCCOCc1ccc(nc1)Cl 34a_100000755211_100000230001 [0,1,1,0,0,0|2,0,0]=4 3028 B13R1.9 OCCCOCc1ccc(nc1)Cl 7a_100000755211_100011215043 [0,1,1,0,0,0|2,0,0]=4 3029 B13R1.9 OCCCOCc1ccc(nc1)F 34a_100000079959_100000230001 [0,1,1,0,0,0|2,0,0]=4 3030 B13R1.9 OCCCSCc1ccc(nc1)Br 62a_100009831999_100011215043 [0,1,1,0,0,0|2,0,0]=4 3031 B13R1.9 OCCCSCc1ccc(nc1)Br 62a_100011215043_100009831999 [0,1,1,0,0,0|2,0,0]=4 3032 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100000735431_100011215043 [0,1,1,0,0,0|2,0,0]=4 3033 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100011215043_100000735431 [0,1,1,0,0,0|2,0,0]=4 3034 B13R1.9 OCCCSCc1ccc(nc1)F 62a_100009820150_100011215043 [0,1,1,0,0,0|2,0,0]=4 3035 B13R1.9 OCCCSCc1ccc(nc1)F 62a_100011215043_100000099788 [0,1,1,0,0,0|2,0,0]=4 3036 B13R1.9 OCCOCCc1ccc(nc1)Cl 34a_100009880866_100000211926 [0,1,1,0,0,0|2,0,0]=4 3037 B13R1.9 OCCOCCc1ccc(nc1)Cl 7a_100009880866_100000211926 [0,1,1,0,0,0|2,0,0]=4 3038 B13R1.9 Oc1ccc(cc1)CNCCCF 34a_100000185549_100011934791 [0,1,1,0,0,0|2,0,0]=4 3039 B13R1.9 Oc1ccc(cn1)CNCCCF 207a_100015189416_100011361521 [0,1,1,0,0,0|1,0,0]=3 3040 B13R1.9 Oc1ccc(cn1)CNCCCF 2230a_100000757128_100011934791 [0,1,1,0,0,0|1,0,0]=3 3041 B13R1.9 [13CH3]OCCNCc1ccc(cc1)Br 34a_100000186819_200025704644 [0,1,1,0,0,0|2,0,0]=4 3042 B13R1.9 [13CH3]OCCNCc1ccc(cc1)F 34a_100015183715_200025704644 [0,1,1,0,0,0|2,0,0]=4 3043 B13R1.24 C#CCCNC(C)c1cccnc1 2230a_100000195435_100000688953 [0,1,1,0,0,0|0,0,2]=4 3044 B13R1.24 C=CCCNC(C)c1cccnc1 2230a_100000195435_100000754431 [0,1,1,0,0,0|0,0,2]=4 3045 B13R1.24 C=CCCNC(C)c1cccnc1 269862a_100015191253_100000210468 [0,1,1,0,0,0|0,0,2]=4 3046 B13R1.24 CC#CCNC(C)c1cccnc1 2230a_100000195435_100000748600 [0,1,1,0,0,0|0,0,2]=4 3047 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,1,1,0,0,0|2,0,0]=4 3048 B13R1.24 CC(NCCC#N)c1cccnc1 2230a_100000195435_100011215226 [0,1,1,0,0,0|1,0,1]=4 3049 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,1,1,0,0,0|2,0,0]=4 3050 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,1,1,0,0,0|2,0,0]=4 3051 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,1,1,0,0,0|2,0,0]=4 3052 B13R1.24 CC(NCCCF)c1cccnc1 2230a_100000195435_100011934791 [0,1,1,0,0,0|1,0,0]=3 3053 B13R1.24 CC(NCCCF)c1cccnc1 269862a_100015189416_100000210468 [0,1,1,0,0,0|1,0,0]=3 3054 B13R1.24 CC(NCCCF)c1cccnn1 269862a_100015189416_100009866853 [0,1,1,0,0,0|2,0,0]=4 3055 B13R1.24 CC(NCCCF)c1ccnnc1 269862a_100015189416_100012182992 [0,1,1,0,0,0|2,0,0]=4 3056 B13R1.24 CC(NCCCF)c1cnccn1 2230a_100015189416_200000703233 [0,1,1,0,0,0|2,0,0]=4 3057 B13R1.24 CC(NCCCF)c1cnccn1 269862a_100015189416_100000751083 [0,1,1,0,0,0|2,0,0]=4 3058 B13R1.24 CC(NCCCF)c1cncnc1 269862a_100015189416_100000757475 [0,1,1,0,0,0|2,0,0]=4 3059 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,1,1,0,0,0|2,0,0]=4 3060 B13R1.24 CC(NCCCO)c1cccnc1 2230a_100000195435_100000230001 [0,1,1,0,0,0|1,0,0]=3 3061 B13R1.24 CC(NCCCO)c1cccnc1 269862a_100000182051_100000210468 [0,1,1,0,0,0|1,0,0]=3 3062 B13R1.24 CC(NCCCO)c1cccnn1 269862a_100000182051_100009866853 [0,1,1,0,0,0|2,0,0]=4 3063 B13R1.24 CC(NCCCO)c1ccnnc1 269862a_100000182051_100012182992 [0,1,1,0,0,0|2,0,0]=4 3064 B13R1.24 CC(NCCCO)c1cnccn1 269862a_100000182051_100000751083 [0,1,1,0,0,0|2,0,0]=4 3065 B13R1.24 CC(NCCCO)c1cncnc1 269862a_100000182051_100000757475 [0,1,1,0,0,0|2,0,0]=4 3066 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,1,1,0,0,0|2,0,0]=4 3067 B13R1.24 CC=CCNC(C)c1cccnc1 2230a_100000195435_100000070051 [0,1,1,0,0,0|0,0,2]=4 3068 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,1,1,0,0,0|1,0,1]=4 3069 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,1,1,0,0,0|1,0,1]=4 3070 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,1,1,0,0,0|1,0,1]=4 3071 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,1,1,0,0,0|1,0,1]=4 3072 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,1,1,0,0,0|1,0,0]=3 3073 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,1,1,0,0,0|1,0,0]=3 3074 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,1,1,0,0,0|1,0,0]=3 3075 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,1,1,0,0,0|2,0,0]=4 3076 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,1,1,0,0,0|2,0,0]=4 3077 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,1,1,0,0,0|0,0,0]=2 3078 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,1,1,0,0,0|0,0,0]=2 3079 B13R1.24 CCCCNC(C)c1cccnn1 269862a_100000102301_100009866853 [0,1,1,0,0,0|1,0,0]=3 3080 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,1,1,0,0,0|2,0,0]=4 3081 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,1,1,0,0,0|2,0,0]=4 3082 B13R1.24 CCCCNC(C)c1ccnnc1 269862a_100000102301_100012182992 [0,1,1,0,0,0|1,0,0]=3 3083 B13R1.24 CCCCNC(C)c1cnccn1 2230a_100000102301_200000703233 [0,1,1,0,0,0|1,0,0]=3 3084 B13R1.24 CCCCNC(C)c1cnccn1 269862a_100000102301_100000751083 [0,1,1,0,0,0|1,0,0]=3 3085 B13R1.24 CCCCNC(C)c1cnccn1 7a_106832991798_200000703233 [0,1,1,0,0,0|1,0,0]=3 3086 B13R1.24 CCCCNC(C)c1cncnc1 269862a_100000102301_100000757475 [0,1,1,0,0,0|1,0,0]=3 3087 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,1,1,0,0,0|1,0,0]=3 3088 B13R1.24 CCCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210211 [0,1,1,0,0,0|1,0,0]=3 3089 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,1,1,0,0,0|2,0,0]=4 3090 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,1,1,0,0,0|2,0,0]=4 3091 B13R1.24 CCCCOC(C)c1cnccn1 7a_100000210227_200000703233 [0,1,1,0,0,0|2,0,0]=4 3092 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,1,1,0,0,0|2,0,0]=4 3093 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,1,1,0,0,0|2,0,0]=4 3094 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,1,1,0,0,0|2,0,0]=4 3095 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,1,1,0,0,0|2,0,0]=4 3096 B13R1.24 CCCCSC(C)c1cnccn1 62a_100000210211_200000703233 [0,1,1,0,0,0|2,0,0]=4 3097 B13R1.24 CCCCSC(C)c1cnccn1 62a_200000703233_100000210210 [0,1,1,0,0,0|2,0,0]=4 3098 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,1,1,0,0,0|2,0,0]=4 3099 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,1,1,0,0,0|2,0,0]=4 3100 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,1,1,0,0,0|2,0,0]=4 3101 B13R1.24 COCCNC(C)c1cccnc1 2230a_100000195435_100011201679 [0,1,1,0,0,0|1,0,0]=3 3102 B13R1.24 COCCNC(C)c1cccnc1 269862a_100000209980_100000210468 [0,1,1,0,0,0|1,0,0]=3 3103 B13R1.24 COCCNC(C)c1cccnn1 269862a_100000209980_100009866853 [0,1,1,0,0,0|2,0,0]=4 3104 B13R1.24 COCCNC(C)c1ccnnc1 269862a_100000209980_100012182992 [0,1,1,0,0,0|2,0,0]=4 3105 B13R1.24 COCCNC(C)c1cnccn1 2230a_100000209980_200000703233 [0,1,1,0,0,0|2,0,0]=4 3106 B13R1.24 COCCNC(C)c1cnccn1 269862a_100000209980_100000751083 [0,1,1,0,0,0|2,0,0]=4 3107 B13R1.24 COCCNC(C)c1cncnc1 269862a_100000209980_100000757475 [0,1,1,0,0,0|2,0,0]=4 3108 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,1,1,0,0,0|2,0,0]=4 3109 B13R1.24 COCCN[C@H](C)c1cnccn1 2230a_100020589798_100011201679 [0,1,1,0,0,0|2,0,0]=4 3110 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,1,1,0,0,0|2,0,0]=4 3111 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,1,1,0,0,0|2,0,0]=4 3112 B13R1.24 CSCCNC(C)c1cccnc1 2230a_100000195435_100000751147 [0,1,1,0,0,0|1,0,0]=3 3113 B13R1.24 CSCCNC(C)c1cccnc1 269862a_100020590264_100000210468 [0,1,1,0,0,0|1,0,0]=3 3114 B13R1.24 CSCCNC(C)c1cccnn1 269862a_100020590264_100009866853 [0,1,1,0,0,0|2,0,0]=4 3115 B13R1.24 CSCCNC(C)c1ccnnc1 269862a_100020590264_100012182992 [0,1,1,0,0,0|2,0,0]=4 3116 B13R1.24 CSCCNC(C)c1cnccn1 2230a_100020590264_200000703233 [0,1,1,0,0,0|2,0,0]=4 3117 B13R1.24 CSCCNC(C)c1cnccn1 269862a_100020590264_100000751083 [0,1,1,0,0,0|2,0,0]=4 3118 B13R1.24 CSCCNC(C)c1cncnc1 269862a_100020590264_100000757475 [0,1,1,0,0,0|2,0,0]=4 3119 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,1,1,0,0,0|2,0,0]=4 3120 B13R1.24 CSCCN[C@H](C)c1cnccn1 2230a_100020589798_100000751147 [0,1,1,0,0,0|2,0,0]=4 3121 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,1,1,0,0,0|2,0,0]=4 3122 B13R1.24 C[C@@H](NCCCF)c1cnccn1 2230a_100020589798_100011934791 [0,1,1,0,0,0|2,0,0]=4 3123 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,1,1,0,0,0|2,0,0]=4 3124 B13R1.24 C[C@@H](NCCCO)c1cnccn1 2230a_100020589798_100000230001 [0,1,1,0,0,0|2,0,0]=4 3125 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,1,1,0,0,0|2,0,0]=4 3126 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,1,1,0,0,0|2,0,0]=4 3127 B13R1.24 OC(CNCCF)c1cccnc1 2230a_100020605170_100011217306 [0,1,1,0,0,0|2,0,0]=4 3128 B13R1.24 OCCNCC(O)c1cccnc1 2230a_100020605170_100000211926 [0,1,1,0,0,0|2,0,0]=4 3129 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [0,1,1,0,0,0|2,0,0]=4 3130 B13R1.28 BrCCCCOCc1cccnc1 34a_100011216708_100000733263 [0,1,1,0,0,0|1,0,0]=3 3131 B13R1.28 BrCCCCOCc1cccnn1 34a_100011216708_100016990269 [0,1,1,0,0,0|2,0,0]=4 3132 B13R1.28 BrCCCCOCc1cnccn1 34a_100011216708_100016995436 [0,1,1,0,0,0|2,0,0]=4 3133 B13R1.28 BrCCCCOCc1cncnc1 34a_100011216708_100015196519 [0,1,1,0,0,0|2,0,0]=4 3134 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [0,1,1,0,0,0|2,0,0]=4 3135 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,1,1,0,0,0|2,0,0]=4 3136 B13R1.28 C#CCCCCOc1cccnc1 34a_100000210849_100010269958 [0,1,1,0,0,0|1,0,1]=4 3137 B13R1.28 C#CCCCCOc1cccnc1 7a_100000210849_100010269958 [0,1,1,0,0,0|1,0,1]=4 3138 B13R1.28 C#CCCCCSc1cccnc1 62a_100000210063_100010269958 [0,1,1,0,0,0|1,0,1]=4 3139 B13R1.28 C#CCCCCSc1cccnc1 62a_100010269958_100000210063 [0,1,1,0,0,0|1,0,1]=4 3140 B13R1.28 C#CCCCNCc1ccccc1 207a_100000718082_100015611070 [0,1,1,0,0,0|1,0,1]=4 3141 B13R1.28 C#CCCCNCc1ccccc1 2230a_100015324214_100000731252 [0,1,1,0,0,0|1,0,1]=4 3142 B13R1.28 C#CCCCNCc1ccccc1 270004a_100000718082_100015611070 [0,1,1,0,0,0|1,0,1]=4 3143 B13R1.28 C#CCCCNCc1ccccc1 34a_100000718082_100015291786 [0,1,1,0,0,0|1,0,1]=4 3144 B13R1.28 C#CCCCNCc1ccccc1 34a_100015324214_100000695029 [0,1,1,0,0,0|1,0,1]=4 3145 B13R1.28 C#CCCCNCc1cccnc1 207a_100000718082_100000209961 [0,1,1,0,0,0|0,0,1]=3 3146 B13R1.28 C#CCCCNCc1cccnc1 270004a_100000718082_100000209961 [0,1,1,0,0,0|0,0,1]=3 3147 B13R1.28 C#CCCCNCc1cccnc1 34a_100000718082_100000733263 [0,1,1,0,0,0|0,0,1]=3 3148 B13R1.28 C#CCCCNCc1cccnn1 2230a_100159270163_100000731252 [0,1,1,0,0,0|1,0,1]=4 3149 B13R1.28 C#CCCCNCc1cccnn1 34a_100000718082_100016990269 [0,1,1,0,0,0|1,0,1]=4 3150 B13R1.28 C#CCCCNCc1ccnnc1 270004a_100000718082_100011934578 [0,1,1,0,0,0|1,0,1]=4 3151 B13R1.28 C#CCCCNCc1cnccn1 270004a_100000718082_100000749867 [0,1,1,0,0,0|1,0,1]=4 3152 B13R1.28 C#CCCCNCc1cnccn1 34a_100000718082_100016995436 [0,1,1,0,0,0|1,0,1]=4 3153 B13R1.28 C#CCCCNCc1cncnc1 2230a_100011243677_100000731252 [0,1,1,0,0,0|1,0,1]=4 3154 B13R1.28 C#CCCCNCc1cncnc1 270004a_100000718082_100000749868 [0,1,1,0,0,0|1,0,1]=4 3155 B13R1.28 C#CCCCNCc1cncnc1 34a_100000718082_100015196519 [0,1,1,0,0,0|1,0,1]=4 3156 B13R1.28 C#CCCCOCc1cccnc1 34a_100000215630_100000733263 [0,1,1,0,0,0|1,0,1]=4 3157 B13R1.28 C#CCCCOCc1cccnc1 7a_100000215630_100000741622 [0,1,1,0,0,0|1,0,1]=4 3158 B13R1.28 C#CCCCSCc1cccnc1 62a_100000741622_100011215417 [0,1,1,0,0,0|1,0,1]=4 3159 B13R1.28 C#CCCCSCc1cccnc1 62a_100011215417_100000741622 [0,1,1,0,0,0|1,0,1]=4 3160 B13R1.28 C#CCCNCCc1cccnc1 2230a_100000736294_100000688953 [0,1,1,0,0,0|0,0,2]=4 3161 B13R1.28 C#CCCOCCc1cccnc1 34a_100011217484_100000688953 [0,1,1,0,0,0|1,0,1]=4 3162 B13R1.28 C#CCCSCCc1cccnc1 62a_100000688953_200011713674 [0,1,1,0,0,0|1,0,1]=4 3163 B13R1.28 C#CCCSCCc1cccnc1 62a_200011713674_100000688953 [0,1,1,0,0,0|1,0,1]=4 3164 B13R1.28 C#CCNCCCc1cccnc1 2230a_100011532358_100000038162 [0,1,1,0,0,0|1,0,1]=4 3165 B13R1.28 C#CCNCCCc1cccnc1 34a_100011532358_100000184674 [0,1,1,0,0,0|1,0,1]=4 3166 B13R1.28 C#CCOCCCc1cccnc1 34a_100000211284_100000184674 [0,1,1,0,0,0|1,0,1]=4 3167 B13R1.28 C/C=C/CCOCc1cccnc1 34a_100016278192_100000733263 [0,1,1,0,0,0|1,0,1]=4 3168 B13R1.28 C=CCCCCOc1cccnc1 34a_100000210849_100011215482 [0,1,1,0,0,0|1,0,1]=4 3169 B13R1.28 C=CCCCCOc1cccnc1 7a_100000210849_100011215482 [0,1,1,0,0,0|1,0,1]=4 3170 B13R1.28 C=CCCCCSc1cccnc1 62a_100000210063_100011215482 [0,1,1,0,0,0|1,0,1]=4 3171 B13R1.28 C=CCCCCSc1cccnc1 62a_100011215482_100000210063 [0,1,1,0,0,0|1,0,1]=4 3172 B13R1.28 C=CCCCNCc1ccccc1 2230a_100000700776_100015291786 [0,1,1,0,0,0|1,0,1]=4 3173 B13R1.28 C=CCCCNCc1ccccc1 2230a_100015324214_100011713584 [0,1,1,0,0,0|1,0,1]=4 3174 B13R1.28 C=CCCCNCc1ccccc1 270004a_100000700776_100015611070 [0,1,1,0,0,0|1,0,1]=4 3175 B13R1.28 C=CCCCNCc1ccccc1 34a_100000700776_100015291786 [0,1,1,0,0,0|1,0,1]=4 3176 B13R1.28 C=CCCCNCc1ccccc1 34a_100015324214_100000757094 [0,1,1,0,0,0|1,0,1]=4 3177 B13R1.28 C=CCCCNCc1cccnc1 2230a_100000700776_100000741622 [0,1,1,0,0,0|0,0,1]=3 3178 B13R1.28 C=CCCCNCc1cccnc1 270004a_100000700776_100000209961 [0,1,1,0,0,0|0,0,1]=3 3179 B13R1.28 C=CCCCNCc1cccnc1 34a_100000700776_100000733263 [0,1,1,0,0,0|0,0,1]=3 3180 B13R1.28 C=CCCCNCc1cccnn1 2230a_100000700776_100016990269 [0,1,1,0,0,0|1,0,1]=4 3181 B13R1.28 C=CCCCNCc1cccnn1 2230a_100159270163_100011713584 [0,1,1,0,0,0|1,0,1]=4 3182 B13R1.28 C=CCCCNCc1cccnn1 34a_100000700776_100016990269 [0,1,1,0,0,0|1,0,1]=4 3183 B13R1.28 C=CCCCNCc1ccnnc1 270004a_100000700776_100011934578 [0,1,1,0,0,0|1,0,1]=4 3184 B13R1.28 C=CCCCNCc1cnccn1 2230a_100000700776_100016995436 [0,1,1,0,0,0|1,0,1]=4 3185 B13R1.28 C=CCCCNCc1cnccn1 270004a_100000700776_100000749867 [0,1,1,0,0,0|1,0,1]=4 3186 B13R1.28 C=CCCCNCc1cnccn1 34a_100000700776_100016995436 [0,1,1,0,0,0|1,0,1]=4 3187 B13R1.28 C=CCCCNCc1cncnc1 2230a_100000700776_100015196519 [0,1,1,0,0,0|1,0,1]=4 3188 B13R1.28 C=CCCCNCc1cncnc1 2230a_100011243677_100011713584 [0,1,1,0,0,0|1,0,1]=4 3189 B13R1.28 C=CCCCNCc1cncnc1 270004a_100000700776_100000749868 [0,1,1,0,0,0|1,0,1]=4 3190 B13R1.28 C=CCCCNCc1cncnc1 34a_100000700776_100015196519 [0,1,1,0,0,0|1,0,1]=4 3191 B13R1.28 C=CCCCOCc1cccnc1 34a_100000758997_100000733263 [0,1,1,0,0,0|1,0,1]=4 3192 B13R1.28 C=CCCCOCc1cccnc1 7a_100000758997_100000741622 [0,1,1,0,0,0|1,0,1]=4 3193 B13R1.28 C=CCCCSCc1cccnc1 62a_100000741622_100000757094 [0,1,1,0,0,0|1,0,1]=4 3194 B13R1.28 C=CCCCSCc1cccnc1 62a_100011713584_100000741622 [0,1,1,0,0,0|1,0,1]=4 3195 B13R1.28 C=CCCNCCc1cccnc1 2230a_100000736294_100000754431 [0,1,1,0,0,0|0,0,2]=4 3196 B13R1.28 C=CCCNCCc1cccnc1 2230a_100015191253_200011713674 [0,1,1,0,0,0|0,0,2]=4 3197 B13R1.28 C=CCCOCCc1cccnc1 34a_100011217484_100000754431 [0,1,1,0,0,0|1,0,1]=4 3198 B13R1.28 C=CCCSCCc1cccnc1 62a_100000754431_200011713674 [0,1,1,0,0,0|1,0,1]=4 3199 B13R1.28 C=CCCSCCc1cccnc1 62a_200011713674_100000754431 [0,1,1,0,0,0|1,0,1]=4 3200 B13R1.28 C=CCNCCCc1cccnc1 2230a_100011532358_100000210623 [0,1,1,0,0,0|1,0,1]=4 3201 B13R1.28 C=CCNCCCc1cccnc1 34a_100011532358_100015514636 [0,1,1,0,0,0|1,0,1]=4 3202 B13R1.28 C=CCOCCCc1cccnc1 34a_100000211284_100015514636 [0,1,1,0,0,0|1,0,1]=4 3203 B13R1.28 CC#CCCOCc1cccnc1 34a_100000750427_100000733263 [0,1,1,0,0,0|1,0,1]=4 3204 B13R1.28 CC#CCNCCc1cccnc1 2230a_100000685387_200011713674 [0,1,1,0,0,0|0,0,2]=4 3205 B13R1.28 CC#CCNCCc1cccnc1 2230a_100000736294_100000748600 [0,1,1,0,0,0|0,0,2]=4 3206 B13R1.28 CC/C=C\CNCc1ccccc1 2230a_100015324214_100103147603 [0,1,1,0,0,0|1,0,1]=4 3207 B13R1.28 CC/C=C\CNCc1ccccc1 34a_100015324214_100103147603 [0,1,1,0,0,0|1,0,1]=4 3208 B13R1.28 CC/C=C\CNCc1cccnn1 2230a_100159270163_100103147603 [0,1,1,0,0,0|1,0,1]=4 3209 B13R1.28 CC/C=C\CNCc1cncnc1 2230a_100011243677_100103147603 [0,1,1,0,0,0|1,0,1]=4 3210 B13R1.28 CC/C=C\COCc1cccnc1 34a_100016268518_100000733263 [0,1,1,0,0,0|1,0,1]=4 3211 B13R1.28 CC/C=C\CSCc1cccnc1 62a_100000741622_100103147603 [0,1,1,0,0,0|1,0,1]=4 3212 B13R1.28 CC/C=C\CSCc1cccnc1 62a_100103147603_100000741622 [0,1,1,0,0,0|1,0,1]=4 3213 B13R1.28 CC=CCNCCc1cccnc1 2230a_100000736294_100000070051 [0,1,1,0,0,0|0,0,2]=4 3214 B13R1.28 CCC#CCNCc1ccccc1 2230a_100015324214_100009813939 [0,1,1,0,0,0|1,0,1]=4 3215 B13R1.28 CCC#CCNCc1ccccc1 34a_100015324214_100009813939 [0,1,1,0,0,0|1,0,1]=4 3216 B13R1.28 CCC#CCNCc1cccnn1 2230a_100159270163_100009813939 [0,1,1,0,0,0|1,0,1]=4 3217 B13R1.28 CCC#CCNCc1cncnc1 2230a_100011243677_100009813939 [0,1,1,0,0,0|1,0,1]=4 3218 B13R1.28 CCC#CCOCc1cccnc1 34a_100000032950_100000733263 [0,1,1,0,0,0|1,0,1]=4 3219 B13R1.28 CCC#CCSCc1cccnc1 62a_100000741622_100009813939 [0,1,1,0,0,0|1,0,1]=4 3220 B13R1.28 CCC#CCSCc1cccnc1 62a_100009813939_100000741622 [0,1,1,0,0,0|1,0,1]=4 3221 B13R1.28 CCCC=NNCc1ccccc1 4a_100000007032_100000185831 [0,1,1,0,0,0|1,0,1]=4 3222 B13R1.28 CCCC=NNCc1cccnc1 4a_100000738295_100000185831 [0,1,1,0,0,0|0,0,1]=3 3223 B13R1.28 CCCCC=NNc1cccnc1 4a_100000728903_100000210104 [0,1,1,0,0,0|1,0,1]=4 3224 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [0,1,1,0,0,0|1,0,1]=4 3225 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [0,1,1,0,0,0|2,0,0]=4 3226 B13R1.28 CCCCCCNc1cccnn1 27a_100000210581_100016991348 [0,1,1,0,0,0|2,0,0]=4 3227 B13R1.28 CCCCCCNc1cnccn1 27a_100000210581_100000211759 [0,1,1,0,0,0|2,0,0]=4 3228 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [0,1,1,0,0,0|2,0,0]=4 3229 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [0,1,1,0,0,0|2,0,0]=4 3230 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [0,1,1,0,0,0|1,0,0]=3 3231 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [0,1,1,0,0,0|1,0,0]=3 3232 B13R1.28 CCCCCCOc1ccnnc1 34a_100015204005_100000210314 [0,1,1,0,0,0|2,0,0]=4 3233 B13R1.28 CCCCCCOc1cncnc1 7a_100000754086_100000210314 [0,1,1,0,0,0|2,0,0]=4 3234 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [0,1,1,0,0,0|2,0,0]=4 3235 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [0,1,1,0,0,0|2,0,0]=4 3236 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [0,1,1,0,0,0|1,0,0]=3 3237 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [0,1,1,0,0,0|1,0,0]=3 3238 B13R1.28 CCCCCCSc1cccnn1 62a_100000210314_100016991348 [0,1,1,0,0,0|2,0,0]=4 3239 B13R1.28 CCCCCCSc1cccnn1 62a_100016991348_100000210757 [0,1,1,0,0,0|2,0,0]=4 3240 B13R1.28 CCCCCCSc1ccnnc1 62a_100000210314_100000732662 [0,1,1,0,0,0|2,0,0]=4 3241 B13R1.28 CCCCCCSc1ccnnc1 62a_100000732662_100000210757 [0,1,1,0,0,0|2,0,0]=4 3242 B13R1.28 CCCCCCSc1cnccn1 62a_100000210314_100000211759 [0,1,1,0,0,0|2,0,0]=4 3243 B13R1.28 CCCCCCSc1cnccn1 62a_100000211759_100000210757 [0,1,1,0,0,0|2,0,0]=4 3244 B13R1.28 CCCCCCSc1cncnc1 62a_100000210314_100011206942 [0,1,1,0,0,0|2,0,0]=4 3245 B13R1.28 CCCCCCSc1cncnc1 62a_100011206942_100000210757 [0,1,1,0,0,0|2,0,0]=4 3246 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [0,1,1,0,0,0|1,0,0]=3 3247 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [0,1,1,0,0,0|1,0,0]=3 3248 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [0,1,1,0,0,0|1,0,0]=3 3249 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [0,1,1,0,0,0|1,0,0]=3 3250 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [0,1,1,0,0,0|1,0,0]=3 3251 B13R1.28 CCCCCNCc1ccccn1 207a_100000209983_100000209966 [0,1,1,0,0,0|2,0,0]=4 3252 B13R1.28 CCCCCNCc1ccccn1 2230a_100000209983_100000721315 [0,1,1,0,0,0|2,0,0]=4 3253 B13R1.28 CCCCCNCc1ccccn1 270004a_100000209983_100000209966 [0,1,1,0,0,0|2,0,0]=4 3254 B13R1.28 CCCCCNCc1cccnc1 207a_100000209983_100000209961 [0,1,1,0,0,0|0,0,0]=2 3255 B13R1.28 CCCCCNCc1cccnc1 2230a_100000209983_100000741622 [0,1,1,0,0,0|0,0,0]=2 3256 B13R1.28 CCCCCNCc1cccnc1 270004a_100000209983_100000209961 [0,1,1,0,0,0|0,0,0]=2 3257 B13R1.28 CCCCCNCc1cccnn1 2230a_100000209983_100016990269 [0,1,1,0,0,0|1,0,0]=3 3258 B13R1.28 CCCCCNCc1cccnn1 2230a_100159270163_100000210326 [0,1,1,0,0,0|1,0,0]=3 3259 B13R1.28 CCCCCNCc1ccncc1 207a_100000209983_100000186114 [0,1,1,0,0,0|2,0,0]=4 3260 B13R1.28 CCCCCNCc1ccncc1 2230a_100000209983_100015193705 [0,1,1,0,0,0|2,0,0]=4 3261 B13R1.28 CCCCCNCc1ccnnc1 270004a_100000209983_100011934578 [0,1,1,0,0,0|1,0,0]=3 3262 B13R1.28 CCCCCNCc1cnccn1 2230a_100000209983_100016995436 [0,1,1,0,0,0|1,0,0]=3 3263 B13R1.28 CCCCCNCc1cnccn1 270004a_100000209983_100000749867 [0,1,1,0,0,0|1,0,0]=3 3264 B13R1.28 CCCCCNCc1cncnc1 2230a_100000209983_100015196519 [0,1,1,0,0,0|1,0,0]=3 3265 B13R1.28 CCCCCNCc1cncnc1 2230a_100011243677_100000210326 [0,1,1,0,0,0|1,0,0]=3 3266 B13R1.28 CCCCCNCc1cncnc1 270004a_100000209983_100000749868 [0,1,1,0,0,0|1,0,0]=3 3267 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [0,1,1,0,0,0|2,0,0]=4 3268 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [0,1,1,0,0,0|2,0,0]=4 3269 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [0,1,1,0,0,0|2,0,0]=4 3270 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [0,1,1,0,0,0|2,0,0]=4 3271 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [0,1,1,0,0,0|1,0,0]=3 3272 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [0,1,1,0,0,0|1,0,0]=3 3273 B13R1.28 CCCCCOCc1cccnn1 34a_100000210253_100016990269 [0,1,1,0,0,0|2,0,0]=4 3274 B13R1.28 CCCCCOCc1cccnn1 7a_100000210253_100016990269 [0,1,1,0,0,0|2,0,0]=4 3275 B13R1.28 CCCCCOCc1cnccn1 34a_100000210253_100016995436 [0,1,1,0,0,0|2,0,0]=4 3276 B13R1.28 CCCCCOCc1cnccn1 7a_100000210253_100016995436 [0,1,1,0,0,0|2,0,0]=4 3277 B13R1.28 CCCCCOCc1cncnc1 34a_100000210253_100015196519 [0,1,1,0,0,0|2,0,0]=4 3278 B13R1.28 CCCCCOCc1cncnc1 7a_100000210253_100015196519 [0,1,1,0,0,0|2,0,0]=4 3279 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [0,1,1,0,0,0|2,0,0]=4 3280 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [0,1,1,0,0,0|2,0,0]=4 3281 B13R1.28 CCCCCSCc1cccnc1 62a_100000210326_100000741622 [0,1,1,0,0,0|1,0,0]=3 3282 B13R1.28 CCCCCSCc1cccnc1 62a_100000741622_100000210326 [0,1,1,0,0,0|1,0,0]=3 3283 B13R1.28 CCCCCSCc1cccnn1 62a_100000210326_100016990269 [0,1,1,0,0,0|2,0,0]=4 3284 B13R1.28 CCCCCSCc1cccnn1 62a_100016990269_100000210326 [0,1,1,0,0,0|2,0,0]=4 3285 B13R1.28 CCCCCSCc1cnccn1 62a_100000210326_100016995436 [0,1,1,0,0,0|2,0,0]=4 3286 B13R1.28 CCCCCSCc1cnccn1 62a_100016995436_100000210326 [0,1,1,0,0,0|2,0,0]=4 3287 B13R1.28 CCCCCSCc1cncnc1 62a_100000210326_100015196519 [0,1,1,0,0,0|2,0,0]=4 3288 B13R1.28 CCCCCSCc1cncnc1 62a_100015196519_100000210326 [0,1,1,0,0,0|2,0,0]=4 3289 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [0,1,1,0,0,0|1,0,0]=3 3290 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [0,1,1,0,0,0|1,0,0]=3 3291 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [0,1,1,0,0,0|1,0,0]=3 3292 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [0,1,1,0,0,0|1,0,0]=3 3293 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [0,1,1,0,0,0|2,0,0]=4 3294 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [0,1,1,0,0,0|2,0,0]=4 3295 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [0,1,1,0,0,0|0,0,0]=2 3296 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [0,1,1,0,0,0|0,0,0]=2 3297 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [0,1,1,0,0,0|0,0,0]=2 3298 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [0,1,1,0,0,0|2,0,0]=4 3299 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [0,1,1,0,0,0|2,0,0]=4 3300 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [0,1,1,0,0,0|1,0,0]=3 3301 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [0,1,1,0,0,0|1,0,1]=4 3302 B13R1.28 CCCCNN=Cc1cccnc1 4a_100025702795_100000209961 [0,1,1,0,0,0|0,0,1]=3 3303 B13R1.28 CCCCNN=Cc1ccnnc1 4a_100025702795_100011934578 [0,1,1,0,0,0|1,0,1]=4 3304 B13R1.28 CCCCNN=Cc1cnccn1 4a_100025702795_100000749867 [0,1,1,0,0,0|1,0,1]=4 3305 B13R1.28 CCCCNN=Cc1cncnc1 4a_100025702795_100000749868 [0,1,1,0,0,0|1,0,1]=4 3306 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,1,1,0,0,0|2,0,0]=4 3307 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,1,1,0,0,0|2,0,0]=4 3308 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,1,1,0,0,0|2,0,0]=4 3309 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,1,1,0,0,0|2,0,0]=4 3310 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,1,1,0,0,0|1,0,0]=3 3311 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,1,1,0,0,0|1,0,0]=3 3312 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,1,1,0,0,0|2,0,0]=4 3313 B13R1.28 CCCCOCCc1cncnc1 34a_100011709255_100000210210 [0,1,1,0,0,0|2,0,0]=4 3314 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [0,1,1,0,0,0|2,0,0]=4 3315 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [0,1,1,0,0,0|2,0,0]=4 3316 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [0,1,1,0,0,0|1,0,0]=3 3317 B13R1.28 CCCCOCOc1ccnnc1 34a_100015204005_100011995733 [0,1,1,0,0,0|2,0,0]=4 3318 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [0,1,1,0,0,0|2,0,0]=4 3319 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [0,1,1,0,0,0|2,0,0]=4 3320 B13R1.28 CCCCOCSc1cccnc1 62a_100000210063_100011995733 [0,1,1,0,0,0|1,0,0]=3 3321 B13R1.28 CCCCOCSc1cccnc1 62a_100011995733_100000210063 [0,1,1,0,0,0|1,0,0]=3 3322 B13R1.28 CCCCOCSc1cccnn1 62a_100011995733_100016991348 [0,1,1,0,0,0|2,0,0]=4 3323 B13R1.28 CCCCOCSc1cccnn1 62a_100016991348_100011995733 [0,1,1,0,0,0|2,0,0]=4 3324 B13R1.28 CCCCOCSc1ccnnc1 62a_100000732662_100011995733 [0,1,1,0,0,0|2,0,0]=4 3325 B13R1.28 CCCCOCSc1ccnnc1 62a_100011995733_100000732662 [0,1,1,0,0,0|2,0,0]=4 3326 B13R1.28 CCCCOCSc1cnccn1 62a_100000211759_100011995733 [0,1,1,0,0,0|2,0,0]=4 3327 B13R1.28 CCCCOCSc1cnccn1 62a_100011995733_100000211759 [0,1,1,0,0,0|2,0,0]=4 3328 B13R1.28 CCCCOCSc1cncnc1 62a_100011206942_100011995733 [0,1,1,0,0,0|2,0,0]=4 3329 B13R1.28 CCCCOCSc1cncnc1 62a_100011995733_100011206942 [0,1,1,0,0,0|2,0,0]=4 3330 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [0,1,1,0,0,0|2,0,0]=4 3331 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [0,1,1,0,0,0|2,0,0]=4 3332 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [0,1,1,0,0,0|1,0,0]=3 3333 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [0,1,1,0,0,0|1,0,0]=3 3334 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [0,1,1,0,0,0|2,0,0]=4 3335 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [0,1,1,0,0,0|2,0,0]=4 3336 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,1,1,0,0,0|2,0,0]=4 3337 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,1,1,0,0,0|2,0,0]=4 3338 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,1,1,0,0,0|1,0,0]=3 3339 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,1,1,0,0,0|1,0,0]=3 3340 B13R1.28 CCCNCCOc1cccnc1 2230a_100000754688_100000210303 [0,1,1,0,0,0|2,0,0]=4 3341 B13R1.28 CCCOC/C=C/c1cccnc1 34a_200102594124_100000210303 [0,1,1,0,0,0|1,0,1]=4 3342 B13R1.28 CCCOCC#Cc1cccnc1 34a_100011376247_100000210303 [0,1,1,0,0,0|1,0,1]=4 3343 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,1,1,0,0,0|2,0,0]=4 3344 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,1,1,0,0,0|2,0,0]=4 3345 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,1,1,0,0,0|2,0,0]=4 3346 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,1,1,0,0,0|1,0,0]=3 3347 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [0,1,1,0,0,0|2,0,0]=4 3348 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [0,1,1,0,0,0|2,0,0]=4 3349 B13R1.28 CCCOCCSc1cccnc1 62a_100000210063_100011215938 [0,1,1,0,0,0|2,0,0]=4 3350 B13R1.28 CCCOCCSc1cccnc1 62a_100011215938_100000210063 [0,1,1,0,0,0|2,0,0]=4 3351 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [0,1,1,0,0,0|2,0,0]=4 3352 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [0,1,1,0,0,0|2,0,0]=4 3353 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,1,1,0,0,0|2,0,0]=4 3354 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,1,1,0,0,0|2,0,0]=4 3355 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [0,1,1,0,0,0|2,0,0]=4 3356 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [0,1,1,0,0,0|2,0,0]=4 3357 B13R1.28 CCCSCSCc1ccccc1 62a_100000210303_200011217039 [0,1,1,0,0,0|2,0,0]=4 3358 B13R1.28 CCCSCSCc1ccccc1 62a_200011217039_100000210303 [0,1,1,0,0,0|2,0,0]=4 3359 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [0,1,1,0,0,0|2,0,0]=4 3360 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [0,1,1,0,0,0|2,0,0]=4 3361 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [0,1,1,0,0,0|2,0,0]=4 3362 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [0,1,1,0,0,0|2,0,0]=4 3363 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [0,1,1,0,0,0|2,0,0]=4 3364 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [0,1,1,0,0,0|2,0,0]=4 3365 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [0,1,1,0,0,0|2,0,0]=4 3366 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [0,1,1,0,0,0|2,0,0]=4 3367 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [0,1,1,0,0,0|2,0,0]=4 3368 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [0,1,1,0,0,0|2,0,0]=4 3369 B13R1.28 CCOCCC#Cc1cccnc1 34a_200011376248_100000210202 [0,1,1,0,0,0|1,0,1]=4 3370 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [0,1,1,0,0,0|2,0,0]=4 3371 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [0,1,1,0,0,0|2,0,0]=4 3372 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [0,1,1,0,0,0|2,0,0]=4 3373 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [0,1,1,0,0,0|1,0,0]=3 3374 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [0,1,1,0,0,0|1,0,0]=3 3375 B13R1.28 CCOCCCOc1cccnc1 34a_100000210849_100012232248 [0,1,1,0,0,0|2,0,0]=4 3376 B13R1.28 CCOCCCOc1cccnc1 7a_100000210849_100012232248 [0,1,1,0,0,0|2,0,0]=4 3377 B13R1.28 CCOCCCSc1cccnc1 62a_100000210063_100012232248 [0,1,1,0,0,0|2,0,0]=4 3378 B13R1.28 CCOCCCSc1cccnc1 62a_100012232248_100000210063 [0,1,1,0,0,0|2,0,0]=4 3379 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [0,1,1,0,0,0|1,0,0]=3 3380 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [0,1,1,0,0,0|1,0,0]=3 3381 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [0,1,1,0,0,0|1,0,0]=3 3382 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [0,1,1,0,0,0|1,0,0]=3 3383 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [0,1,1,0,0,0|1,0,0]=3 3384 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [0,1,1,0,0,0|1,0,0]=3 3385 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [0,1,1,0,0,0|1,0,0]=3 3386 B13R1.28 CCOCCNCc1ccccn1 207a_100011200944_100000209966 [0,1,1,0,0,0|2,0,0]=4 3387 B13R1.28 CCOCCNCc1ccccn1 2230a_102516460346_100000721315 [0,1,1,0,0,0|2,0,0]=4 3388 B13R1.28 CCOCCNCc1ccccn1 270004a_102516460346_100000209966 [0,1,1,0,0,0|2,0,0]=4 3389 B13R1.28 CCOCCNCc1ccccn1 34a_102516460346_100000721315 [0,1,1,0,0,0|2,0,0]=4 3390 B13R1.28 CCOCCNCc1cccnc1 207a_100011200944_100000209961 [0,1,1,0,0,0|0,0,0]=2 3391 B13R1.28 CCOCCNCc1cccnc1 2230a_102516460346_100000741622 [0,1,1,0,0,0|0,0,0]=2 3392 B13R1.28 CCOCCNCc1cccnc1 270004a_102516460346_100000209961 [0,1,1,0,0,0|0,0,0]=2 3393 B13R1.28 CCOCCNCc1cccnc1 34a_102516460346_100000733263 [0,1,1,0,0,0|0,0,0]=2 3394 B13R1.28 CCOCCNCc1cccnn1 2230a_100159270163_100011215890 [0,1,1,0,0,0|1,0,0]=3 3395 B13R1.28 CCOCCNCc1cccnn1 2230a_102516460346_100016990269 [0,1,1,0,0,0|1,0,0]=3 3396 B13R1.28 CCOCCNCc1cccnn1 34a_102516460346_100016990269 [0,1,1,0,0,0|1,0,0]=3 3397 B13R1.28 CCOCCNCc1ccncc1 207a_100011200944_100000186114 [0,1,1,0,0,0|2,0,0]=4 3398 B13R1.28 CCOCCNCc1ccncc1 2230a_102516460346_100015193705 [0,1,1,0,0,0|2,0,0]=4 3399 B13R1.28 CCOCCNCc1ccnnc1 270004a_102516460346_100011934578 [0,1,1,0,0,0|1,0,0]=3 3400 B13R1.28 CCOCCNCc1cnccn1 2230a_102516460346_100016995436 [0,1,1,0,0,0|1,0,0]=3 3401 B13R1.28 CCOCCNCc1cnccn1 270004a_102516460346_100000749867 [0,1,1,0,0,0|1,0,0]=3 3402 B13R1.28 CCOCCNCc1cnccn1 34a_102516460346_100016995436 [0,1,1,0,0,0|1,0,0]=3 3403 B13R1.28 CCOCCNCc1cncnc1 2230a_100011243677_100011215890 [0,1,1,0,0,0|1,0,0]=3 3404 B13R1.28 CCOCCNCc1cncnc1 2230a_102516460346_100015196519 [0,1,1,0,0,0|1,0,0]=3 3405 B13R1.28 CCOCCNCc1cncnc1 270004a_102516460346_100000749868 [0,1,1,0,0,0|1,0,0]=3 3406 B13R1.28 CCOCCNCc1cncnc1 34a_102516460346_100015196519 [0,1,1,0,0,0|1,0,0]=3 3407 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [0,1,1,0,0,0|2,0,0]=4 3408 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [0,1,1,0,0,0|2,0,0]=4 3409 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [0,1,1,0,0,0|2,0,0]=4 3410 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [0,1,1,0,0,0|2,0,0]=4 3411 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [0,1,1,0,0,0|2,0,0]=4 3412 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [0,1,1,0,0,0|2,0,0]=4 3413 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [0,1,1,0,0,0|2,0,0]=4 3414 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [0,1,1,0,0,0|1,0,0]=3 3415 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [0,1,1,0,0,0|1,0,0]=3 3416 B13R1.28 CCOCCOCc1cccnn1 34a_100000210136_100016990269 [0,1,1,0,0,0|2,0,0]=4 3417 B13R1.28 CCOCCOCc1cccnn1 7a_100000210136_100016990269 [0,1,1,0,0,0|2,0,0]=4 3418 B13R1.28 CCOCCOCc1cnccn1 34a_100000210136_100016995436 [0,1,1,0,0,0|2,0,0]=4 3419 B13R1.28 CCOCCOCc1cnccn1 7a_100000210136_100016995436 [0,1,1,0,0,0|2,0,0]=4 3420 B13R1.28 CCOCCOCc1cncnc1 34a_100000210136_100015196519 [0,1,1,0,0,0|2,0,0]=4 3421 B13R1.28 CCOCCOCc1cncnc1 7a_100000210136_100015196519 [0,1,1,0,0,0|2,0,0]=4 3422 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [0,1,1,0,0,0|2,0,0]=4 3423 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [0,1,1,0,0,0|2,0,0]=4 3424 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [0,1,1,0,0,0|2,0,0]=4 3425 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [0,1,1,0,0,0|2,0,0]=4 3426 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [0,1,1,0,0,0|2,0,0]=4 3427 B13R1.28 CCOCCSCc1cccnc1 62a_100000210147_100000741622 [0,1,1,0,0,0|1,0,0]=3 3428 B13R1.28 CCOCCSCc1cccnc1 62a_100000741622_100011215890 [0,1,1,0,0,0|1,0,0]=3 3429 B13R1.28 CCOCCSCc1cccnn1 62a_100000210147_100016990269 [0,1,1,0,0,0|2,0,0]=4 3430 B13R1.28 CCOCCSCc1cccnn1 62a_100016990269_100011215890 [0,1,1,0,0,0|2,0,0]=4 3431 B13R1.28 CCOCCSCc1cnccn1 62a_100000210147_100016995436 [0,1,1,0,0,0|2,0,0]=4 3432 B13R1.28 CCOCCSCc1cnccn1 62a_100016995436_100011215890 [0,1,1,0,0,0|2,0,0]=4 3433 B13R1.28 CCOCCSCc1cncnc1 62a_100000210147_100015196519 [0,1,1,0,0,0|2,0,0]=4 3434 B13R1.28 CCOCCSCc1cncnc1 62a_100015196519_100011215890 [0,1,1,0,0,0|2,0,0]=4 3435 B13R1.28 CCOCSCCc1cccnc1 62a_100000739092_200011713674 [0,1,1,0,0,0|2,0,0]=4 3436 B13R1.28 CCOCSCCc1cccnc1 62a_200011713674_100000739092 [0,1,1,0,0,0|2,0,0]=4 3437 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [0,1,1,0,0,0|2,0,0]=4 3438 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [0,1,1,0,0,0|2,0,0]=4 3439 B13R1.28 CCSCCNCc1ccccc1 207a_100000106463_100015611070 [0,1,1,0,0,0|1,0,0]=3 3440 B13R1.28 CCSCCNCc1ccccc1 2230a_100000106463_100015291786 [0,1,1,0,0,0|1,0,0]=3 3441 B13R1.28 CCSCCNCc1ccccc1 2230a_100015324214_100000757381 [0,1,1,0,0,0|1,0,0]=3 3442 B13R1.28 CCSCCNCc1ccccc1 270004a_100000106463_100015611070 [0,1,1,0,0,0|1,0,0]=3 3443 B13R1.28 CCSCCNCc1ccccc1 34a_100015324214_100000757381 [0,1,1,0,0,0|1,0,0]=3 3444 B13R1.28 CCSCCNCc1ccccn1 207a_100000106463_100000209966 [0,1,1,0,0,0|2,0,0]=4 3445 B13R1.28 CCSCCNCc1ccccn1 2230a_100000106463_100000721315 [0,1,1,0,0,0|2,0,0]=4 3446 B13R1.28 CCSCCNCc1ccccn1 270004a_100000106463_100000209966 [0,1,1,0,0,0|2,0,0]=4 3447 B13R1.28 CCSCCNCc1cccnc1 207a_100000106463_100000209961 [0,1,1,0,0,0|0,0,0]=2 3448 B13R1.28 CCSCCNCc1cccnc1 2230a_100000106463_100000741622 [0,1,1,0,0,0|0,0,0]=2 3449 B13R1.28 CCSCCNCc1cccnc1 270004a_100000106463_100000209961 [0,1,1,0,0,0|0,0,0]=2 3450 B13R1.28 CCSCCNCc1cccnn1 2230a_100000106463_100016990269 [0,1,1,0,0,0|1,0,0]=3 3451 B13R1.28 CCSCCNCc1cccnn1 2230a_100159270163_100000757381 [0,1,1,0,0,0|1,0,0]=3 3452 B13R1.28 CCSCCNCc1ccncc1 207a_100000106463_100000186114 [0,1,1,0,0,0|2,0,0]=4 3453 B13R1.28 CCSCCNCc1ccncc1 2230a_100000106463_100015193705 [0,1,1,0,0,0|2,0,0]=4 3454 B13R1.28 CCSCCNCc1ccnnc1 270004a_100000106463_100011934578 [0,1,1,0,0,0|1,0,0]=3 3455 B13R1.28 CCSCCNCc1cnccn1 2230a_100000106463_100016995436 [0,1,1,0,0,0|1,0,0]=3 3456 B13R1.28 CCSCCNCc1cnccn1 270004a_100000106463_100000749867 [0,1,1,0,0,0|1,0,0]=3 3457 B13R1.28 CCSCCNCc1cncnc1 2230a_100000106463_100015196519 [0,1,1,0,0,0|1,0,0]=3 3458 B13R1.28 CCSCCNCc1cncnc1 2230a_100011243677_100000757381 [0,1,1,0,0,0|1,0,0]=3 3459 B13R1.28 CCSCCNCc1cncnc1 270004a_100000106463_100000749868 [0,1,1,0,0,0|1,0,0]=3 3460 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [0,1,1,0,0,0|2,0,0]=4 3461 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [0,1,1,0,0,0|2,0,0]=4 3462 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [0,1,1,0,0,0|2,0,0]=4 3463 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [0,1,1,0,0,0|2,0,0]=4 3464 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [0,1,1,0,0,0|2,0,0]=4 3465 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [0,1,1,0,0,0|2,0,0]=4 3466 B13R1.28 CCSCCOCc1cccnc1 34a_100000212035_100000733263 [0,1,1,0,0,0|1,0,0]=3 3467 B13R1.28 CCSCCOCc1cccnc1 7a_100000212035_100000741622 [0,1,1,0,0,0|1,0,0]=3 3468 B13R1.28 CCSCCOCc1cccnn1 34a_100000212035_100016990269 [0,1,1,0,0,0|2,0,0]=4 3469 B13R1.28 CCSCCOCc1cccnn1 7a_100000212035_100016990269 [0,1,1,0,0,0|2,0,0]=4 3470 B13R1.28 CCSCCOCc1cnccn1 34a_100000212035_100016995436 [0,1,1,0,0,0|2,0,0]=4 3471 B13R1.28 CCSCCOCc1cnccn1 7a_100000212035_100016995436 [0,1,1,0,0,0|2,0,0]=4 3472 B13R1.28 CCSCCOCc1cncnc1 34a_100000212035_100015196519 [0,1,1,0,0,0|2,0,0]=4 3473 B13R1.28 CCSCCOCc1cncnc1 7a_100000212035_100015196519 [0,1,1,0,0,0|2,0,0]=4 3474 B13R1.28 CCSCCSCc1ccccc1 62a_100000210202_200011297719 [0,1,1,0,0,0|2,0,0]=4 3475 B13R1.28 CCSCCSCc1ccccc1 62a_100000211182_100000757381 [0,1,1,0,0,0|2,0,0]=4 3476 B13R1.28 CCSCCSCc1ccccc1 62a_100000757381_100015291786 [0,1,1,0,0,0|2,0,0]=4 3477 B13R1.28 CCSCCSCc1ccccc1 62a_200011297719_100000210202 [0,1,1,0,0,0|2,0,0]=4 3478 B13R1.28 CCSCCSCc1cccnc1 62a_100000741622_100000757381 [0,1,1,0,0,0|1,0,0]=3 3479 B13R1.28 CCSCCSCc1cccnc1 62a_100000757381_100000741622 [0,1,1,0,0,0|1,0,0]=3 3480 B13R1.28 CCSCCSCc1cccnn1 62a_100000757381_100016990269 [0,1,1,0,0,0|2,0,0]=4 3481 B13R1.28 CCSCCSCc1cccnn1 62a_100016990269_100000757381 [0,1,1,0,0,0|2,0,0]=4 3482 B13R1.28 CCSCCSCc1cnccn1 62a_100000757381_100016995436 [0,1,1,0,0,0|2,0,0]=4 3483 B13R1.28 CCSCCSCc1cnccn1 62a_100016995436_100000757381 [0,1,1,0,0,0|2,0,0]=4 3484 B13R1.28 CCSCCSCc1cncnc1 62a_100000757381_100015196519 [0,1,1,0,0,0|2,0,0]=4 3485 B13R1.28 CCSCCSCc1cncnc1 62a_100015196519_100000757381 [0,1,1,0,0,0|2,0,0]=4 3486 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,1,1,0,0,0|1,0,0]=3 3487 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,1,1,0,0,0|1,0,0]=3 3488 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,1,1,0,0,0|1,0,0]=3 3489 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,1,1,0,0,0|1,0,0]=3 3490 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,1,1,0,0,0|1,0,0]=3 3491 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [0,1,1,0,0,0|2,0,0]=4 3492 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [0,1,1,0,0,0|2,0,0]=4 3493 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [0,1,1,0,0,0|2,0,0]=4 3494 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [0,1,1,0,0,0|2,0,0]=4 3495 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [0,1,1,0,0,0|2,0,0]=4 3496 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [0,1,1,0,0,0|2,0,0]=4 3497 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [0,1,1,0,0,0|2,0,0]=4 3498 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [0,1,1,0,0,0|2,0,0]=4 3499 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [0,1,1,0,0,0|2,0,0]=4 3500 B13R1.28 CNCCCOCc1cccnc1 34a_100000213112_100000733263 [0,1,1,0,0,0|1,0,0]=3 3501 B13R1.28 CNCCCOCc1cccnn1 34a_100000213112_100016990269 [0,1,1,0,0,0|2,0,0]=4 3502 B13R1.28 CNCCCOCc1cnccn1 34a_100000213112_100016995436 [0,1,1,0,0,0|2,0,0]=4 3503 B13R1.28 CNCCCOCc1cncnc1 34a_100000213112_100015196519 [0,1,1,0,0,0|2,0,0]=4 3504 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,1,1,0,0,0|2,0,0]=4 3505 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,1,1,0,0,0|2,0,0]=4 3506 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,1,1,0,0,0|2,0,0]=4 3507 B13R1.28 COCCCCOc1cccnc1 34a_100000210849_100000755781 [0,1,1,0,0,0|2,0,0]=4 3508 B13R1.28 COCCCCOc1cccnc1 7a_100000210849_100000730899 [0,1,1,0,0,0|2,0,0]=4 3509 B13R1.28 COCCCCSc1cccnc1 62a_100000210063_100000730899 [0,1,1,0,0,0|2,0,0]=4 3510 B13R1.28 COCCCCSc1cccnc1 62a_100000730899_100000210063 [0,1,1,0,0,0|2,0,0]=4 3511 B13R1.28 COCCCNCc1ccccc1 207a_100150723488_100015611070 [0,1,1,0,0,0|1,0,0]=3 3512 B13R1.28 COCCCNCc1ccccc1 2230a_100015324214_100000740836 [0,1,1,0,0,0|1,0,0]=3 3513 B13R1.28 COCCCNCc1ccccc1 270004a_100150723488_100015611070 [0,1,1,0,0,0|1,0,0]=3 3514 B13R1.28 COCCCNCc1ccccc1 34a_100000185501_200000210301 [0,1,1,0,0,0|1,0,0]=3 3515 B13R1.28 COCCCNCc1ccccc1 34a_100015324214_100000740836 [0,1,1,0,0,0|1,0,0]=3 3516 B13R1.28 COCCCNCc1ccccc1 34a_100150723488_100015291786 [0,1,1,0,0,0|1,0,0]=3 3517 B13R1.28 COCCCNCc1ccccn1 207a_100150723488_100000209966 [0,1,1,0,0,0|2,0,0]=4 3518 B13R1.28 COCCCNCc1ccccn1 270004a_100150723488_100000209966 [0,1,1,0,0,0|2,0,0]=4 3519 B13R1.28 COCCCNCc1ccccn1 34a_100150723488_100000721315 [0,1,1,0,0,0|2,0,0]=4 3520 B13R1.28 COCCCNCc1cccnc1 207a_100150723488_100000209961 [0,1,1,0,0,0|0,0,0]=2 3521 B13R1.28 COCCCNCc1cccnc1 270004a_100150723488_100000209961 [0,1,1,0,0,0|0,0,0]=2 3522 B13R1.28 COCCCNCc1cccnc1 34a_100150723488_100000733263 [0,1,1,0,0,0|0,0,0]=2 3523 B13R1.28 COCCCNCc1cccnn1 2230a_100159270163_100000740836 [0,1,1,0,0,0|1,0,0]=3 3524 B13R1.28 COCCCNCc1cccnn1 34a_100150723488_100016990269 [0,1,1,0,0,0|1,0,0]=3 3525 B13R1.28 COCCCNCc1ccncc1 207a_100150723488_100000186114 [0,1,1,0,0,0|2,0,0]=4 3526 B13R1.28 COCCCNCc1ccnnc1 270004a_100150723488_100011934578 [0,1,1,0,0,0|1,0,0]=3 3527 B13R1.28 COCCCNCc1cnccn1 270004a_100150723488_100000749867 [0,1,1,0,0,0|1,0,0]=3 3528 B13R1.28 COCCCNCc1cnccn1 34a_100150723488_100016995436 [0,1,1,0,0,0|1,0,0]=3 3529 B13R1.28 COCCCNCc1cncnc1 2230a_100011243677_100000740836 [0,1,1,0,0,0|1,0,0]=3 3530 B13R1.28 COCCCNCc1cncnc1 270004a_100150723488_100000749868 [0,1,1,0,0,0|1,0,0]=3 3531 B13R1.28 COCCCNCc1cncnc1 34a_100150723488_100015196519 [0,1,1,0,0,0|1,0,0]=3 3532 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [0,1,1,0,0,0|2,0,0]=4 3533 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [0,1,1,0,0,0|2,0,0]=4 3534 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [0,1,1,0,0,0|2,0,0]=4 3535 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [0,1,1,0,0,0|2,0,0]=4 3536 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [0,1,1,0,0,0|2,0,0]=4 3537 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [0,1,1,0,0,0|2,0,0]=4 3538 B13R1.28 COCCCOCc1cccnc1 34a_100000740835_100000733263 [0,1,1,0,0,0|1,0,0]=3 3539 B13R1.28 COCCCOCc1cccnn1 34a_100000740835_100016990269 [0,1,1,0,0,0|2,0,0]=4 3540 B13R1.28 COCCCOCc1cnccn1 34a_100000740835_100016995436 [0,1,1,0,0,0|2,0,0]=4 3541 B13R1.28 COCCCOCc1cncnc1 34a_100000740835_100015196519 [0,1,1,0,0,0|2,0,0]=4 3542 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [0,1,1,0,0,0|2,0,0]=4 3543 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [0,1,1,0,0,0|2,0,0]=4 3544 B13R1.28 COCCCSCc1cccnc1 62a_100000709357_100000741622 [0,1,1,0,0,0|1,0,0]=3 3545 B13R1.28 COCCCSCc1cccnc1 62a_100000741622_100000709357 [0,1,1,0,0,0|1,0,0]=3 3546 B13R1.28 COCCCSCc1cccnn1 62a_100000709357_100016990269 [0,1,1,0,0,0|2,0,0]=4 3547 B13R1.28 COCCCSCc1cccnn1 62a_100016990269_100000709357 [0,1,1,0,0,0|2,0,0]=4 3548 B13R1.28 COCCCSCc1cnccn1 62a_100000709357_100016995436 [0,1,1,0,0,0|2,0,0]=4 3549 B13R1.28 COCCCSCc1cnccn1 62a_100016995436_100000709357 [0,1,1,0,0,0|2,0,0]=4 3550 B13R1.28 COCCCSCc1cncnc1 62a_100000709357_100015196519 [0,1,1,0,0,0|2,0,0]=4 3551 B13R1.28 COCCCSCc1cncnc1 62a_100015196519_100000709357 [0,1,1,0,0,0|2,0,0]=4 3552 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [0,1,1,0,0,0|2,0,0]=4 3553 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [0,1,1,0,0,0|2,0,0]=4 3554 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [0,1,1,0,0,0|2,0,0]=4 3555 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [0,1,1,0,0,0|1,0,0]=3 3556 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [0,1,1,0,0,0|1,0,0]=3 3557 B13R1.28 COCCNCSc1ccccc1 2230a_100000209980_100011218342 [0,1,1,0,0,0|2,0,0]=4 3558 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,1,1,0,0,0|2,0,0]=4 3559 B13R1.28 COCCOCSc1cccnc1 62a_100000210063_100000231047 [0,1,1,0,0,0|2,0,0]=4 3560 B13R1.28 COCCOCSc1cccnc1 62a_100000231047_100000210063 [0,1,1,0,0,0|2,0,0]=4 3561 B13R1.28 COCCSCCc1cccnc1 62a_100000233755_200011713674 [0,1,1,0,0,0|2,0,0]=4 3562 B13R1.28 COCCSCCc1cccnc1 62a_200011713674_100000233755 [0,1,1,0,0,0|2,0,0]=4 3563 B13R1.28 COCNCCCc1cccnc1 2230a_100011532358_100000766300 [0,1,1,0,0,0|2,0,0]=4 3564 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,1,1,0,0,0|2,0,0]=4 3565 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,1,1,0,0,0|2,0,0]=4 3566 B13R1.28 CSCCCNCc1ccccc1 207a_100000749238_100015611070 [0,1,1,0,0,0|1,0,0]=3 3567 B13R1.28 CSCCCNCc1ccccc1 2230a_100000749238_100015291786 [0,1,1,0,0,0|1,0,0]=3 3568 B13R1.28 CSCCCNCc1ccccc1 270004a_100000749238_100015611070 [0,1,1,0,0,0|1,0,0]=3 3569 B13R1.28 CSCCCNCc1ccccn1 207a_100000749238_100000209966 [0,1,1,0,0,0|2,0,0]=4 3570 B13R1.28 CSCCCNCc1ccccn1 2230a_100000749238_100000721315 [0,1,1,0,0,0|2,0,0]=4 3571 B13R1.28 CSCCCNCc1ccccn1 270004a_100000749238_100000209966 [0,1,1,0,0,0|2,0,0]=4 3572 B13R1.28 CSCCCNCc1cccnc1 207a_100000749238_100000209961 [0,1,1,0,0,0|0,0,0]=2 3573 B13R1.28 CSCCCNCc1cccnc1 2230a_100000749238_100000741622 [0,1,1,0,0,0|0,0,0]=2 3574 B13R1.28 CSCCCNCc1cccnc1 270004a_100000749238_100000209961 [0,1,1,0,0,0|0,0,0]=2 3575 B13R1.28 CSCCCNCc1cccnn1 2230a_100000749238_100016990269 [0,1,1,0,0,0|1,0,0]=3 3576 B13R1.28 CSCCCNCc1ccncc1 207a_100000749238_100000186114 [0,1,1,0,0,0|2,0,0]=4 3577 B13R1.28 CSCCCNCc1ccncc1 2230a_100000749238_100015193705 [0,1,1,0,0,0|2,0,0]=4 3578 B13R1.28 CSCCCNCc1ccnnc1 270004a_100000749238_100011934578 [0,1,1,0,0,0|1,0,0]=3 3579 B13R1.28 CSCCCNCc1cnccn1 2230a_100000749238_100016995436 [0,1,1,0,0,0|1,0,0]=3 3580 B13R1.28 CSCCCNCc1cnccn1 270004a_100000749238_100000749867 [0,1,1,0,0,0|1,0,0]=3 3581 B13R1.28 CSCCCNCc1cncnc1 2230a_100000749238_100015196519 [0,1,1,0,0,0|1,0,0]=3 3582 B13R1.28 CSCCCNCc1cncnc1 270004a_100000749238_100000749868 [0,1,1,0,0,0|1,0,0]=3 3583 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [0,1,1,0,0,0|2,0,0]=4 3584 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [0,1,1,0,0,0|2,0,0]=4 3585 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [0,1,1,0,0,0|2,0,0]=4 3586 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [0,1,1,0,0,0|2,0,0]=4 3587 B13R1.28 CSCCCOCc1cccnc1 34a_100000690336_100000733263 [0,1,1,0,0,0|1,0,0]=3 3588 B13R1.28 CSCCCOCc1cccnc1 7a_100000690336_100000741622 [0,1,1,0,0,0|1,0,0]=3 3589 B13R1.28 CSCCCOCc1cccnn1 34a_100000690336_100016990269 [0,1,1,0,0,0|2,0,0]=4 3590 B13R1.28 CSCCCOCc1cccnn1 7a_100000690336_100016990269 [0,1,1,0,0,0|2,0,0]=4 3591 B13R1.28 CSCCCOCc1cnccn1 34a_100000690336_100016995436 [0,1,1,0,0,0|2,0,0]=4 3592 B13R1.28 CSCCCOCc1cnccn1 7a_100000690336_100016995436 [0,1,1,0,0,0|2,0,0]=4 3593 B13R1.28 CSCCCOCc1cncnc1 34a_100000690336_100015196519 [0,1,1,0,0,0|2,0,0]=4 3594 B13R1.28 CSCCCOCc1cncnc1 7a_100000690336_100015196519 [0,1,1,0,0,0|2,0,0]=4 3595 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [0,1,1,0,0,0|2,0,0]=4 3596 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [0,1,1,0,0,0|2,0,0]=4 3597 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [0,1,1,0,0,0|2,0,0]=4 3598 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [0,1,1,0,0,0|1,0,0]=3 3599 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [0,1,1,0,0,0|1,0,0]=3 3600 B13R1.28 CSCCNCSc1ccccc1 2230a_100020590264_100011218342 [0,1,1,0,0,0|2,0,0]=4 3601 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,1,1,0,0,0|2,0,0]=4 3602 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,1,1,0,0,0|2,0,0]=4 3603 B13R1.28 CSCCSCCc1cccnc1 62a_100000212216_200011713674 [0,1,1,0,0,0|2,0,0]=4 3604 B13R1.28 CSCCSCCc1cccnc1 62a_200011713674_100000751147 [0,1,1,0,0,0|2,0,0]=4 3605 B13R1.28 CSCNCCCc1cccnc1 2230a_100011532358_100011218213 [0,1,1,0,0,0|2,0,0]=4 3606 B13R1.28 CSCNCCCc1cccnc1 34a_100011532358_100011218213 [0,1,1,0,0,0|2,0,0]=4 3607 B13R1.28 CSCOCCCc1cccnc1 34a_100000211284_100011218213 [0,1,1,0,0,0|2,0,0]=4 3608 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [0,1,1,0,0,0|2,0,0]=4 3609 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [0,1,1,0,0,0|2,0,0]=4 3610 B13R1.28 ClCCCCOCc1cccnc1 34a_100000210776_100000733263 [0,1,1,0,0,0|1,0,0]=3 3611 B13R1.28 ClCCCCOCc1cccnc1 7a_100000210776_100000741622 [0,1,1,0,0,0|1,0,0]=3 3612 B13R1.28 ClCCCCOCc1cccnn1 34a_100000210776_100016990269 [0,1,1,0,0,0|2,0,0]=4 3613 B13R1.28 ClCCCCOCc1cccnn1 7a_100000210776_100016990269 [0,1,1,0,0,0|2,0,0]=4 3614 B13R1.28 ClCCCCOCc1cnccn1 34a_100000210776_100016995436 [0,1,1,0,0,0|2,0,0]=4 3615 B13R1.28 ClCCCCOCc1cnccn1 7a_100000210776_100016995436 [0,1,1,0,0,0|2,0,0]=4 3616 B13R1.28 ClCCCCOCc1cncnc1 34a_100000210776_100015196519 [0,1,1,0,0,0|2,0,0]=4 3617 B13R1.28 ClCCCCOCc1cncnc1 7a_100000210776_100015196519 [0,1,1,0,0,0|2,0,0]=4 3618 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [0,1,1,0,0,0|2,0,0]=4 3619 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [0,1,1,0,0,0|2,0,0]=4 3620 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [0,1,1,0,0,0|2,0,0]=4 3621 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [0,1,1,0,0,0|2,0,0]=4 3622 B13R1.28 FCCCCCOc1cccnc1 34a_100000210849_100000729378 [0,1,1,0,0,0|1,0,0]=3 3623 B13R1.28 FCCCCCOc1cccnc1 7a_100000210849_100000729378 [0,1,1,0,0,0|1,0,0]=3 3624 B13R1.28 FCCCCCOc1ccnnc1 34a_100015204005_100000729378 [0,1,1,0,0,0|2,0,0]=4 3625 B13R1.28 FCCCCCOc1cncnc1 7a_100000754086_100000729378 [0,1,1,0,0,0|2,0,0]=4 3626 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [0,1,1,0,0,0|2,0,0]=4 3627 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [0,1,1,0,0,0|2,0,0]=4 3628 B13R1.28 FCCCCCSc1cccnc1 62a_100000210063_100000729378 [0,1,1,0,0,0|1,0,0]=3 3629 B13R1.28 FCCCCCSc1cccnc1 62a_100000729378_100000210063 [0,1,1,0,0,0|1,0,0]=3 3630 B13R1.28 FCCCCCSc1cccnn1 62a_100000729378_100016991348 [0,1,1,0,0,0|2,0,0]=4 3631 B13R1.28 FCCCCCSc1cccnn1 62a_100016991348_100000729378 [0,1,1,0,0,0|2,0,0]=4 3632 B13R1.28 FCCCCCSc1ccnnc1 62a_100000729378_100000732662 [0,1,1,0,0,0|2,0,0]=4 3633 B13R1.28 FCCCCCSc1ccnnc1 62a_100000732662_100000729378 [0,1,1,0,0,0|2,0,0]=4 3634 B13R1.28 FCCCCCSc1cnccn1 62a_100000211759_100000729378 [0,1,1,0,0,0|2,0,0]=4 3635 B13R1.28 FCCCCCSc1cnccn1 62a_100000729378_100000211759 [0,1,1,0,0,0|2,0,0]=4 3636 B13R1.28 FCCCCCSc1cncnc1 62a_100000729378_100011206942 [0,1,1,0,0,0|2,0,0]=4 3637 B13R1.28 FCCCCCSc1cncnc1 62a_100011206942_100000729378 [0,1,1,0,0,0|2,0,0]=4 3638 B13R1.28 FCCCCNCc1ccccc1 2230a_100015324214_100000729493 [0,1,1,0,0,0|1,0,0]=3 3639 B13R1.28 FCCCCNCc1ccccc1 34a_100015324214_100000729493 [0,1,1,0,0,0|1,0,0]=3 3640 B13R1.28 FCCCCNCc1cccnn1 2230a_100159270163_100000729493 [0,1,1,0,0,0|1,0,0]=3 3641 B13R1.28 FCCCCNCc1cncnc1 2230a_100011243677_100000729493 [0,1,1,0,0,0|1,0,0]=3 3642 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [0,1,1,0,0,0|2,0,0]=4 3643 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [0,1,1,0,0,0|2,0,0]=4 3644 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [0,1,1,0,0,0|2,0,0]=4 3645 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [0,1,1,0,0,0|2,0,0]=4 3646 B13R1.28 FCCCCOCc1cccnc1 34a_100011995726_100000733263 [0,1,1,0,0,0|1,0,0]=3 3647 B13R1.28 FCCCCOCc1cccnc1 7a_100011995726_100000741622 [0,1,1,0,0,0|1,0,0]=3 3648 B13R1.28 FCCCCOCc1cccnn1 34a_100011995726_100016990269 [0,1,1,0,0,0|2,0,0]=4 3649 B13R1.28 FCCCCOCc1cccnn1 7a_100011995726_100016990269 [0,1,1,0,0,0|2,0,0]=4 3650 B13R1.28 FCCCCOCc1cnccn1 34a_100011995726_100016995436 [0,1,1,0,0,0|2,0,0]=4 3651 B13R1.28 FCCCCOCc1cnccn1 7a_100011995726_100016995436 [0,1,1,0,0,0|2,0,0]=4 3652 B13R1.28 FCCCCOCc1cncnc1 34a_100011995726_100015196519 [0,1,1,0,0,0|2,0,0]=4 3653 B13R1.28 FCCCCOCc1cncnc1 7a_100011995726_100015196519 [0,1,1,0,0,0|2,0,0]=4 3654 B13R1.28 FCCCCSCc1ccccc1 62a_100000211182_100000729493 [0,1,1,0,0,0|2,0,0]=4 3655 B13R1.28 FCCCCSCc1ccccc1 62a_100000729493_100015291786 [0,1,1,0,0,0|2,0,0]=4 3656 B13R1.28 FCCCCSCc1cccnc1 62a_100000729493_100000741622 [0,1,1,0,0,0|1,0,0]=3 3657 B13R1.28 FCCCCSCc1cccnc1 62a_100000741622_100000729493 [0,1,1,0,0,0|1,0,0]=3 3658 B13R1.28 FCCCCSCc1cccnn1 62a_100000729493_100016990269 [0,1,1,0,0,0|2,0,0]=4 3659 B13R1.28 FCCCCSCc1cccnn1 62a_100016990269_100000729493 [0,1,1,0,0,0|2,0,0]=4 3660 B13R1.28 FCCCCSCc1cnccn1 62a_100000729493_100016995436 [0,1,1,0,0,0|2,0,0]=4 3661 B13R1.28 FCCCCSCc1cnccn1 62a_100016995436_100000729493 [0,1,1,0,0,0|2,0,0]=4 3662 B13R1.28 FCCCCSCc1cncnc1 62a_100000729493_100015196519 [0,1,1,0,0,0|2,0,0]=4 3663 B13R1.28 FCCCCSCc1cncnc1 62a_100015196519_100000729493 [0,1,1,0,0,0|2,0,0]=4 3664 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [0,1,1,0,0,0|2,0,0]=4 3665 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [0,1,1,0,0,0|2,0,0]=4 3666 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [0,1,1,0,0,0|2,0,0]=4 3667 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [0,1,1,0,0,0|2,0,0]=4 3668 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [0,1,1,0,0,0|1,0,0]=3 3669 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [0,1,1,0,0,0|1,0,0]=3 3670 B13R1.28 FCCCNCSc1ccccc1 2230a_100015189416_100011218342 [0,1,1,0,0,0|2,0,0]=4 3671 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [0,1,1,0,0,0|2,0,0]=4 3672 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [0,1,1,0,0,0|2,0,0]=4 3673 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [0,1,1,0,0,0|2,0,0]=4 3674 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [0,1,1,0,0,0|1,0,0]=3 3675 B13R1.28 FCCCOCCc1cnccn1 34a_100011349526_100011934791 [0,1,1,0,0,0|2,0,0]=4 3676 B13R1.28 FCCCOCCc1cncnc1 34a_100011709255_100011934791 [0,1,1,0,0,0|2,0,0]=4 3677 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [0,1,1,0,0,0|2,0,0]=4 3678 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [0,1,1,0,0,0|2,0,0]=4 3679 B13R1.28 FCCCSCCc1cccnc1 62a_100011934791_200011713674 [0,1,1,0,0,0|1,0,0]=3 3680 B13R1.28 FCCCSCCc1cccnc1 62a_200011713674_100011934791 [0,1,1,0,0,0|1,0,0]=3 3681 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [0,1,1,0,0,0|2,0,0]=4 3682 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [0,1,1,0,0,0|2,0,0]=4 3683 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [0,1,1,0,0,0|2,0,0]=4 3684 B13R1.28 FCCNCCCc1cccnc1 2230a_100011532358_100011217306 [0,1,1,0,0,0|1,0,0]=3 3685 B13R1.28 FCCNCCCc1cccnc1 34a_100011532358_100011217306 [0,1,1,0,0,0|1,0,0]=3 3686 B13R1.28 FCCNCCOc1cccnc1 2230a_100000754688_100011217306 [0,1,1,0,0,0|2,0,0]=4 3687 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,1,1,0,0,0|2,0,0]=4 3688 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,1,1,0,0,0|2,0,0]=4 3689 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [0,1,1,0,0,0|1,0,0]=3 3690 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [0,1,1,0,0,0|2,0,0]=4 3691 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [0,1,1,0,0,0|2,0,0]=4 3692 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [0,1,1,0,0,0|2,0,0]=4 3693 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [0,1,1,0,0,0|2,0,0]=4 3694 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [0,1,1,0,0,0|2,0,0]=4 3695 B13R1.28 FCOCCCCc1cccnc1 34a_100012039607_100015361967 [0,1,1,0,0,0|1,0,0]=3 3696 B13R1.28 FCOCCCCc1cccnc1 7a_100012039607_100015361967 [0,1,1,0,0,0|1,0,0]=3 3697 B13R1.28 FCOCCNCc1ccccc1 34a_100000180844_100015361967 [0,1,1,0,0,0|2,0,0]=4 3698 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [0,1,1,0,0,0|2,0,0]=4 3699 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [0,1,1,0,0,0|2,0,0]=4 3700 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [0,1,1,0,0,0|2,0,0]=4 3701 B13R1.28 ICCCCOCc1cccnc1 34a_200012148704_100000733263 [0,1,1,0,0,0|1,0,0]=3 3702 B13R1.28 ICCCCOCc1cccnn1 34a_200012148704_100016990269 [0,1,1,0,0,0|2,0,0]=4 3703 B13R1.28 ICCCCOCc1cnccn1 34a_200012148704_100016995436 [0,1,1,0,0,0|2,0,0]=4 3704 B13R1.28 ICCCCOCc1cncnc1 34a_200012148704_100015196519 [0,1,1,0,0,0|2,0,0]=4 3705 B13R1.28 N#CCCCCOc1cccnc1 7a_100000210849_100000211819 [0,1,1,0,0,0|0,0,2]=4 3706 B13R1.28 N#CCCCCSc1cccnc1 62a_100000210063_100000211819 [0,1,1,0,0,0|0,0,2]=4 3707 B13R1.28 N#CCCCCSc1cccnc1 62a_100011219923_100000210063 [0,1,1,0,0,0|0,0,2]=4 3708 B13R1.28 N#CCCCNCc1ccccc1 2230a_100015324214_100000687738 [0,1,1,0,0,0|1,0,1]=4 3709 B13R1.28 N#CCCCNCc1cccnn1 2230a_100159270163_100000687738 [0,1,1,0,0,0|1,0,1]=4 3710 B13R1.28 N#CCCCNCc1cncnc1 2230a_100011243677_100000687738 [0,1,1,0,0,0|1,0,1]=4 3711 B13R1.28 N#CCCCSCc1cccnc1 62a_100000687738_100000741622 [0,1,1,0,0,0|0,0,2]=4 3712 B13R1.28 N#CCCCSCc1cccnc1 62a_100000741622_100000687738 [0,1,1,0,0,0|0,0,2]=4 3713 B13R1.28 N#CCCNCCc1cccnc1 2230a_100000736294_100011215226 [0,1,1,0,0,0|0,0,2]=4 3714 B13R1.28 N#CCCSCCc1cccnc1 62a_100011215226_200011713674 [0,1,1,0,0,0|0,0,2]=4 3715 B13R1.28 N#CCCSCCc1cccnc1 62a_200011713674_100011215226 [0,1,1,0,0,0|0,0,2]=4 3716 B13R1.28 N#CCNCCCc1cccnc1 2230a_100011532358_100011215382 [0,1,1,0,0,0|0,0,2]=4 3717 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [0,1,1,0,0,0|1,0,0]=3 3718 B13R1.28 NCCCCOCc1ccccn1 34a_100000750430_100000721315 [0,1,1,0,0,0|2,0,0]=4 3719 B13R1.28 NCCCCOCc1cccnc1 34a_100000750430_100000733263 [0,1,1,0,0,0|0,0,0]=2 3720 B13R1.28 NCCCCOCc1cccnn1 34a_100000750430_100016990269 [0,1,1,0,0,0|1,0,0]=3 3721 B13R1.28 NCCCCOCc1cnccn1 34a_100000750430_100016995436 [0,1,1,0,0,0|1,0,0]=3 3722 B13R1.28 NCCCCOCc1cncnc1 34a_100000750430_100015196519 [0,1,1,0,0,0|1,0,0]=3 3723 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [0,1,1,0,0,0|1,0,0]=3 3724 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,1,1,0,0,0|1,0,0]=3 3725 B13R1.28 NCCOCCOc1ccccc1 34a_100000210304_100000184471 [0,1,1,0,0,0|2,0,0]=4 3726 B13R1.28 NCCOCCSc1ccccc1 34a_100000210304_100000246102 [0,1,1,0,0,0|2,0,0]=4 3727 B13R1.28 NCCOCOCc1ccccc1 34a_100000210304_100000763385 [0,1,1,0,0,0|2,0,0]=4 3728 B13R1.28 NCCOCSCc1ccccc1 34a_100000210304_200011217039 [0,1,1,0,0,0|2,0,0]=4 3729 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [0,1,1,0,0,0|2,0,0]=4 3730 B13R1.28 O=CCCCCOc1cccnc1 7a_100000210849_100000139335 [0,1,1,0,0,0|1,0,1]=4 3731 B13R1.28 O=CCCCCSc1cccnc1 62a_100000139335_100000210063 [0,1,1,0,0,0|1,0,1]=4 3732 B13R1.28 O=CCCCCSc1cccnc1 62a_100000210063_100000139335 [0,1,1,0,0,0|1,0,1]=4 3733 B13R1.28 O=CCCCNCc1ccccc1 2230a_100015324214_200011292268 [0,1,1,0,0,0|1,0,1]=4 3734 B13R1.28 O=CCCCNCc1cccnn1 2230a_100159270163_200011292268 [0,1,1,0,0,0|1,0,1]=4 3735 B13R1.28 O=CCCCNCc1cncnc1 2230a_100011243677_200011292268 [0,1,1,0,0,0|1,0,1]=4 3736 B13R1.28 O=CCCCSCc1cccnc1 62a_100000741622_200011292268 [0,1,1,0,0,0|1,0,1]=4 3737 B13R1.28 O=CCCCSCc1cccnc1 62a_200011292268_100000741622 [0,1,1,0,0,0|1,0,1]=4 3738 B13R1.28 O=CCNCCCc1cccnc1 2230a_100011532358_200015260668 [0,1,1,0,0,0|1,0,1]=4 3739 B13R1.28 O=CCNCCCc1cccnc1 34a_100011532358_200009817547 [0,1,1,0,0,0|1,0,1]=4 3740 B13R1.28 O=CCOCCCc1cccnc1 34a_100000211284_200009817547 [0,1,1,0,0,0|1,0,1]=4 3741 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [0,1,1,0,0,0|2,0,0]=4 3742 B13R1.28 OCCCCCNc1cccnn1 27a_100000762737_100016991348 [0,1,1,0,0,0|2,0,0]=4 3743 B13R1.28 OCCCCCNc1cnccn1 27a_100000762737_100000211759 [0,1,1,0,0,0|2,0,0]=4 3744 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [0,1,1,0,0,0|2,0,0]=4 3745 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [0,1,1,0,0,0|2,0,0]=4 3746 B13R1.28 OCCCCCOc1cccnc1 34a_100000210849_100000746330 [0,1,1,0,0,0|1,0,0]=3 3747 B13R1.28 OCCCCCOc1cccnc1 7a_100000210849_100000746330 [0,1,1,0,0,0|1,0,0]=3 3748 B13R1.28 OCCCCCOc1ccnnc1 34a_100015204005_100000746330 [0,1,1,0,0,0|2,0,0]=4 3749 B13R1.28 OCCCCCOc1cncnc1 7a_100000754086_100000746330 [0,1,1,0,0,0|2,0,0]=4 3750 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [0,1,1,0,0,0|2,0,0]=4 3751 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [0,1,1,0,0,0|2,0,0]=4 3752 B13R1.28 OCCCCCSc1cccnc1 62a_100000210063_100000746330 [0,1,1,0,0,0|1,0,0]=3 3753 B13R1.28 OCCCCCSc1cccnc1 62a_100000746330_100000210063 [0,1,1,0,0,0|1,0,0]=3 3754 B13R1.28 OCCCCCSc1cccnn1 62a_100000746330_100016991348 [0,1,1,0,0,0|2,0,0]=4 3755 B13R1.28 OCCCCCSc1cccnn1 62a_100016991348_100000746330 [0,1,1,0,0,0|2,0,0]=4 3756 B13R1.28 OCCCCCSc1ccnnc1 62a_100000732662_100000746330 [0,1,1,0,0,0|2,0,0]=4 3757 B13R1.28 OCCCCCSc1ccnnc1 62a_100000746330_100000732662 [0,1,1,0,0,0|2,0,0]=4 3758 B13R1.28 OCCCCCSc1cnccn1 62a_100000211759_100000746330 [0,1,1,0,0,0|2,0,0]=4 3759 B13R1.28 OCCCCCSc1cnccn1 62a_100000746330_100000211759 [0,1,1,0,0,0|2,0,0]=4 3760 B13R1.28 OCCCCCSc1cncnc1 62a_100000746330_100011206942 [0,1,1,0,0,0|2,0,0]=4 3761 B13R1.28 OCCCCCSc1cncnc1 62a_100011206942_100000746330 [0,1,1,0,0,0|2,0,0]=4 3762 B13R1.28 OCCCCNCc1ccccc1 207a_100000750430_100015611070 [0,1,1,0,0,0|1,0,0]=3 3763 B13R1.28 OCCCCNCc1ccccc1 2230a_100000750430_100015291786 [0,1,1,0,0,0|1,0,0]=3 3764 B13R1.28 OCCCCNCc1ccccc1 2230a_100015324214_100000210776 [0,1,1,0,0,0|1,0,0]=3 3765 B13R1.28 OCCCCNCc1ccccc1 270004a_100000750430_100015611070 [0,1,1,0,0,0|1,0,0]=3 3766 B13R1.28 OCCCCNCc1ccccc1 34a_100000750430_100015291786 [0,1,1,0,0,0|1,0,0]=3 3767 B13R1.28 OCCCCNCc1ccccc1 34a_100015324214_100011216708 [0,1,1,0,0,0|1,0,0]=3 3768 B13R1.28 OCCCCNCc1ccccn1 207a_100000750430_100000209966 [0,1,1,0,0,0|2,0,0]=4 3769 B13R1.28 OCCCCNCc1ccccn1 2230a_100000750430_100000721315 [0,1,1,0,0,0|2,0,0]=4 3770 B13R1.28 OCCCCNCc1ccccn1 270004a_100000750430_100000209966 [0,1,1,0,0,0|2,0,0]=4 3771 B13R1.28 OCCCCNCc1ccccn1 34a_100000750430_100000721315 [0,1,1,0,0,0|2,0,0]=4 3772 B13R1.28 OCCCCNCc1cccnc1 207a_100000750430_100000209961 [0,1,1,0,0,0|0,0,0]=2 3773 B13R1.28 OCCCCNCc1cccnc1 2230a_100000750430_100000741622 [0,1,1,0,0,0|0,0,0]=2 3774 B13R1.28 OCCCCNCc1cccnc1 270004a_100000750430_100000209961 [0,1,1,0,0,0|0,0,0]=2 3775 B13R1.28 OCCCCNCc1cccnc1 34a_100000750430_100000733263 [0,1,1,0,0,0|0,0,0]=2 3776 B13R1.28 OCCCCNCc1cccnn1 2230a_100000750430_100016990269 [0,1,1,0,0,0|1,0,0]=3 3777 B13R1.28 OCCCCNCc1cccnn1 2230a_100159270163_100000210776 [0,1,1,0,0,0|1,0,0]=3 3778 B13R1.28 OCCCCNCc1cccnn1 34a_100000750430_100016990269 [0,1,1,0,0,0|1,0,0]=3 3779 B13R1.28 OCCCCNCc1ccncc1 207a_100000750430_100000186114 [0,1,1,0,0,0|2,0,0]=4 3780 B13R1.28 OCCCCNCc1ccncc1 2230a_100000750430_100015193705 [0,1,1,0,0,0|2,0,0]=4 3781 B13R1.28 OCCCCNCc1ccnnc1 270004a_100000750430_100011934578 [0,1,1,0,0,0|1,0,0]=3 3782 B13R1.28 OCCCCNCc1cnccn1 2230a_100000750430_100016995436 [0,1,1,0,0,0|1,0,0]=3 3783 B13R1.28 OCCCCNCc1cnccn1 270004a_100000750430_100000749867 [0,1,1,0,0,0|1,0,0]=3 3784 B13R1.28 OCCCCNCc1cnccn1 34a_100000750430_100016995436 [0,1,1,0,0,0|1,0,0]=3 3785 B13R1.28 OCCCCNCc1cncnc1 2230a_100000750430_100015196519 [0,1,1,0,0,0|1,0,0]=3 3786 B13R1.28 OCCCCNCc1cncnc1 2230a_100011243677_100000210776 [0,1,1,0,0,0|1,0,0]=3 3787 B13R1.28 OCCCCNCc1cncnc1 270004a_100000750430_100000749868 [0,1,1,0,0,0|1,0,0]=3 3788 B13R1.28 OCCCCNCc1cncnc1 34a_100000750430_100015196519 [0,1,1,0,0,0|1,0,0]=3 3789 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [0,1,1,0,0,0|2,0,0]=4 3790 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [0,1,1,0,0,0|2,0,0]=4 3791 B13R1.28 OCCCCSCc1ccccc1 62a_100000210776_100015291786 [0,1,1,0,0,0|2,0,0]=4 3792 B13R1.28 OCCCCSCc1ccccc1 62a_100000211182_100000210776 [0,1,1,0,0,0|2,0,0]=4 3793 B13R1.28 OCCCCSCc1cccnc1 62a_100000210776_100000741622 [0,1,1,0,0,0|1,0,0]=3 3794 B13R1.28 OCCCCSCc1cccnc1 62a_100000741622_100000210776 [0,1,1,0,0,0|1,0,0]=3 3795 B13R1.28 OCCCCSCc1cccnn1 62a_100000210776_100016990269 [0,1,1,0,0,0|2,0,0]=4 3796 B13R1.28 OCCCCSCc1cccnn1 62a_100016990269_100000210776 [0,1,1,0,0,0|2,0,0]=4 3797 B13R1.28 OCCCCSCc1cnccn1 62a_100000210776_100016995436 [0,1,1,0,0,0|2,0,0]=4 3798 B13R1.28 OCCCCSCc1cnccn1 62a_100016995436_100000210776 [0,1,1,0,0,0|2,0,0]=4 3799 B13R1.28 OCCCCSCc1cncnc1 62a_100000210776_100015196519 [0,1,1,0,0,0|2,0,0]=4 3800 B13R1.28 OCCCCSCc1cncnc1 62a_100015196519_100000210776 [0,1,1,0,0,0|2,0,0]=4 3801 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [0,1,1,0,0,0|2,0,0]=4 3802 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [0,1,1,0,0,0|2,0,0]=4 3803 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [0,1,1,0,0,0|1,0,0]=3 3804 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [0,1,1,0,0,0|2,0,0]=4 3805 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [0,1,1,0,0,0|2,0,0]=4 3806 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [0,1,1,0,0,0|1,0,0]=3 3807 B13R1.28 OCCCOCCc1cnccn1 34a_100011349526_100000230001 [0,1,1,0,0,0|2,0,0]=4 3808 B13R1.28 OCCCOCCc1cncnc1 34a_100011709255_100000230001 [0,1,1,0,0,0|2,0,0]=4 3809 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [0,1,1,0,0,0|2,0,0]=4 3810 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [0,1,1,0,0,0|2,0,0]=4 3811 B13R1.28 OCCCSCCc1cccnc1 62a_100011215043_200011713674 [0,1,1,0,0,0|1,0,0]=3 3812 B13R1.28 OCCCSCCc1cccnc1 62a_200011713674_100011215043 [0,1,1,0,0,0|1,0,0]=3 3813 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [0,1,1,0,0,0|2,0,0]=4 3814 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [0,1,1,0,0,0|2,0,0]=4 3815 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [0,1,1,0,0,0|2,0,0]=4 3816 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [0,1,1,0,0,0|2,0,0]=4 3817 B13R1.28 OCCNCCCc1cccnc1 2230a_100011532358_100000211926 [0,1,1,0,0,0|1,0,0]=3 3818 B13R1.28 OCCNCCCc1cccnc1 34a_100011532358_100000211926 [0,1,1,0,0,0|1,0,0]=3 3819 B13R1.28 OCCNCCOc1cccnc1 2230a_100000754688_100000211926 [0,1,1,0,0,0|2,0,0]=4 3820 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,1,1,0,0,0|2,0,0]=4 3821 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,1,1,0,0,0|2,0,0]=4 3822 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [0,1,1,0,0,0|1,0,0]=3 3823 B13R1.28 OCCOCCOc1cccnc1 34a_100000210849_100000692535 [0,1,1,0,0,0|2,0,0]=4 3824 B13R1.28 OCCOCCOc1cccnc1 7a_100000210849_100011215305 [0,1,1,0,0,0|2,0,0]=4 3825 B13R1.28 OCCOCCSc1cccnc1 62a_100000210063_100011215305 [0,1,1,0,0,0|2,0,0]=4 3826 B13R1.28 OCCOCCSc1cccnc1 62a_100011215305_100000210063 [0,1,1,0,0,0|2,0,0]=4 3827 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [0,1,1,0,0,0|2,0,0]=4 3828 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [0,1,1,0,0,0|2,0,0]=4 3829 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,1,1,0,0,0|1,0,0]=3 3830 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,1,1,0,0,0|1,0,0]=3 3831 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [0,1,1,0,0,0|2,0,0]=4 3832 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [0,1,1,0,0,0|2,0,0]=4 3833 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,1,1,0,0,0|2,0,0]=4 3834 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,1,1,0,0,0|2,0,0]=4 3835 B13R1.28 [13CH3]OCCCNCc1ccccc1 34a_100000185501_200025704644 [0,1,1,0,0,0|1,0,0]=3 3836 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [0,1,1,0,0,0|2,0,0]=4 3837 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [0,1,1,0,0,0|2,0,0]=4 3838 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,1,1,0,0,0|2,0,0]=4 3839 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,1,1,0,0,0|2,0,0]=4 3840 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [0,1,1,0,0,0|2,0,0]=4 3841 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [0,1,1,0,0,0|2,0,0]=4 3842 B13R1.42 CC(CCBr)OCc1cccnc1 34a_100012276601_100000733263 [0,1,1,0,0,0|2,0,0]=4 3843 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,1,1,0,0,0|2,0,0]=4 3844 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,1,1,0,0,0|2,0,0]=4 3845 B13R1.42 CC(CCO)NCc1cccnn1 2230a_100159270163_100009893172 [0,1,1,0,0,0|2,0,0]=4 3846 B13R1.42 CC(CCO)NCc1cncnc1 2230a_100011243677_100009893172 [0,1,1,0,0,0|2,0,0]=4 3847 B13R1.42 CC(CCO)SCc1cccnc1 62a_100000741622_100009893172 [0,1,1,0,0,0|2,0,0]=4 3848 B13R1.42 CC(CCO)SCc1cccnc1 62a_100009893172_100000741622 [0,1,1,0,0,0|2,0,0]=4 3849 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,1,1,0,0,0|1,0,1]=4 3850 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,1,1,0,0,0|1,0,1]=4 3851 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,1,1,0,0,0|1,0,1]=4 3852 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,1,1,0,0,0|1,0,1]=4 3853 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,1,1,0,0,0|1,0,1]=4 3854 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,1,1,0,0,0|1,0,1]=4 3855 B13R1.42 CCCC(=O)NCc1cccnc1 11a_100000210453_100000211992 [0,1,1,0,0,0|0,0,1]=3 3856 B13R1.42 CCCC(=O)NCc1cccnc1 240690a_100000210453_100000211992 [0,1,1,0,0,0|0,0,1]=3 3857 B13R1.42 CCCC(=O)NCc1cccnc1 527a_100000210453_100000211992 [0,1,1,0,0,0|0,0,1]=3 3858 B13R1.42 CCCC(=O)NCc1cccnn1 11a_100159270163_100000211992 [0,1,1,0,0,0|1,0,1]=4 3859 B13R1.42 CCCC(=O)NCc1cccnn1 240690a_100159270163_100000211992 [0,1,1,0,0,0|1,0,1]=4 3860 B13R1.42 CCCC(=O)NCc1cccnn1 527a_100159270163_100000211992 [0,1,1,0,0,0|1,0,1]=4 3861 B13R1.42 CCCC(=O)NCc1cnccn1 11a_100000737960_100000211992 [0,1,1,0,0,0|1,0,1]=4 3862 B13R1.42 CCCC(=O)NCc1cnccn1 240690a_100000737960_100000211992 [0,1,1,0,0,0|1,0,1]=4 3863 B13R1.42 CCCC(=O)NCc1cnccn1 527a_100000737960_100000211992 [0,1,1,0,0,0|1,0,1]=4 3864 B13R1.42 CCCC(=O)NCc1cncnc1 11a_100011243677_100000211992 [0,1,1,0,0,0|1,0,1]=4 3865 B13R1.42 CCCC(=O)NCc1cncnc1 240690a_100011243677_100000211992 [0,1,1,0,0,0|1,0,1]=4 3866 B13R1.42 CCCC(=O)NCc1cncnc1 527a_100011243677_100000211992 [0,1,1,0,0,0|1,0,1]=4 3867 B13R1.42 CCCC(=O)NNc1cccnc1 22a_100000728903_100000211992 [0,1,1,0,0,0|1,0,1]=4 3868 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [0,1,1,0,0,0|2,0,0]=4 3869 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [0,1,1,0,0,0|2,0,0]=4 3870 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [0,1,1,0,0,0|2,0,0]=4 3871 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [0,1,1,0,0,0|2,0,0]=4 3872 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,1,1,0,0,0|1,0,0]=3 3873 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,1,1,0,0,0|1,0,0]=3 3874 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,1,1,0,0,0|1,0,0]=3 3875 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,1,1,0,0,0|1,0,0]=3 3876 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,1,1,0,0,0|1,0,0]=3 3877 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,1,1,0,0,0|1,0,0]=3 3878 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [0,1,1,0,0,0|2,0,0]=4 3879 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [0,1,1,0,0,0|2,0,0]=4 3880 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [0,1,1,0,0,0|2,0,0]=4 3881 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [0,1,1,0,0,0|2,0,0]=4 3882 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [0,1,1,0,0,0|0,0,0]=2 3883 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [0,1,1,0,0,0|0,0,0]=2 3884 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [0,1,1,0,0,0|0,0,0]=2 3885 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [0,1,1,0,0,0|0,0,0]=2 3886 B13R1.42 CCCC(C)NCc1cccnn1 2230a_100000741246_100016990269 [0,1,1,0,0,0|1,0,0]=3 3887 B13R1.42 CCCC(C)NCc1cccnn1 2230a_100159270163_100000766640 [0,1,1,0,0,0|1,0,0]=3 3888 B13R1.42 CCCC(C)NCc1ccncc1 207a_100000741246_100000186114 [0,1,1,0,0,0|2,0,0]=4 3889 B13R1.42 CCCC(C)NCc1ccncc1 2230a_100000741246_100015193705 [0,1,1,0,0,0|2,0,0]=4 3890 B13R1.42 CCCC(C)NCc1ccnnc1 270004a_100000741246_100011934578 [0,1,1,0,0,0|1,0,0]=3 3891 B13R1.42 CCCC(C)NCc1cnccn1 2230a_100000741246_100016995436 [0,1,1,0,0,0|1,0,0]=3 3892 B13R1.42 CCCC(C)NCc1cnccn1 270004a_100000741246_100000749867 [0,1,1,0,0,0|1,0,0]=3 3893 B13R1.42 CCCC(C)NCc1cncnc1 2230a_100000741246_100015196519 [0,1,1,0,0,0|1,0,0]=3 3894 B13R1.42 CCCC(C)NCc1cncnc1 2230a_100011243677_100000766640 [0,1,1,0,0,0|1,0,0]=3 3895 B13R1.42 CCCC(C)NCc1cncnc1 270004a_100000741246_100000749868 [0,1,1,0,0,0|1,0,0]=3 3896 B13R1.42 CCCC(C)NCc1cncnc1 270004a_100011243677_100000211909 [0,1,1,0,0,0|1,0,0]=3 3897 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,1,1,0,0,0|2,0,0]=4 3898 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,1,1,0,0,0|2,0,0]=4 3899 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,1,1,0,0,0|2,0,0]=4 3900 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,1,1,0,0,0|2,0,0]=4 3901 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,1,1,0,0,0|1,0,0]=3 3902 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,1,1,0,0,0|1,0,0]=3 3903 B13R1.42 CCCC(C)OCc1cccnn1 34a_100000764384_100016990269 [0,1,1,0,0,0|2,0,0]=4 3904 B13R1.42 CCCC(C)OCc1cccnn1 7a_100000764384_100016990269 [0,1,1,0,0,0|2,0,0]=4 3905 B13R1.42 CCCC(C)OCc1cnccn1 34a_100000764384_100016995436 [0,1,1,0,0,0|2,0,0]=4 3906 B13R1.42 CCCC(C)OCc1cnccn1 7a_100000764384_100016995436 [0,1,1,0,0,0|2,0,0]=4 3907 B13R1.42 CCCC(C)OCc1cncnc1 34a_100000764384_100015196519 [0,1,1,0,0,0|2,0,0]=4 3908 B13R1.42 CCCC(C)OCc1cncnc1 7a_100000764384_100015196519 [0,1,1,0,0,0|2,0,0]=4 3909 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,1,1,0,0,0|2,0,0]=4 3910 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,1,1,0,0,0|2,0,0]=4 3911 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [0,1,1,0,0,0|1,0,0]=3 3912 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [0,1,1,0,0,0|1,0,0]=3 3913 B13R1.42 CCCC(C)SCc1cccnn1 62a_100000766640_100016990269 [0,1,1,0,0,0|2,0,0]=4 3914 B13R1.42 CCCC(C)SCc1cccnn1 62a_100016990269_100000766640 [0,1,1,0,0,0|2,0,0]=4 3915 B13R1.42 CCCC(C)SCc1cnccn1 62a_100000766640_100016995436 [0,1,1,0,0,0|2,0,0]=4 3916 B13R1.42 CCCC(C)SCc1cnccn1 62a_100016995436_100000766640 [0,1,1,0,0,0|2,0,0]=4 3917 B13R1.42 CCCC(C)SCc1cncnc1 62a_100000766640_100015196519 [0,1,1,0,0,0|2,0,0]=4 3918 B13R1.42 CCCC(C)SCc1cncnc1 62a_100015196519_100000766640 [0,1,1,0,0,0|2,0,0]=4 3919 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [0,1,1,0,0,0|2,0,0]=4 3920 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [0,1,1,0,0,0|2,0,0]=4 3921 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [0,1,1,0,0,0|2,0,0]=4 3922 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [0,1,1,0,0,0|2,0,0]=4 3923 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100000210453_100015525214 [0,1,1,0,0,0|1,0,1]=4 3924 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100015525214_100000210453 [0,1,1,0,0,0|1,0,1]=4 3925 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100000210453_100015525214 [0,1,1,0,0,0|1,0,1]=4 3926 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100015525214_100000210453 [0,1,1,0,0,0|1,0,1]=4 3927 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100000210453_100015525214 [0,1,1,0,0,0|1,0,1]=4 3928 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100015525214_100000210453 [0,1,1,0,0,0|1,0,1]=4 3929 B13R1.42 CN(CCF)CCc1cccnc1 2230a_100000763209_100011217306 [0,1,1,0,0,0|2,0,0]=4 3930 B13R1.42 CN(CCF)CCc1cccnc1 269982a_100000763209_100011217306 [0,1,1,0,0,0|2,0,0]=4 3931 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000210263_200011713674 [0,1,1,0,0,0|2,0,0]=4 3932 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000763209_100000211926 [0,1,1,0,0,0|2,0,0]=4 3933 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000210263_200011713674 [0,1,1,0,0,0|2,0,0]=4 3934 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000763209_100000211926 [0,1,1,0,0,0|2,0,0]=4 3935 B13R1.42 CNCC(=O)NCc1cccnc1 2230a_106832991635_100000752408 [0,1,1,0,0,0|1,0,1]=4 3936 B13R1.42 CNCC(=O)NCc1cccnc1 7a_106832991635_100000752408 [0,1,1,0,0,0|1,0,1]=4 3937 B13R1.42 COCC(=O)NCc1cccnc1 11a_100000210453_100000210968 [0,1,1,0,0,0|1,0,1]=4 3938 B13R1.42 COCC(=O)NCc1cccnc1 240690a_100000210453_100000210968 [0,1,1,0,0,0|1,0,1]=4 3939 B13R1.42 COCC(=O)NCc1cccnc1 527a_100000210453_100000210968 [0,1,1,0,0,0|1,0,1]=4 3940 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,1,1,0,0,0|2,0,0]=4 3941 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,1,1,0,0,0|2,0,0]=4 3942 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,1,1,0,0,0|2,0,0]=4 3943 B13R1.42 COCC(C)NCc1cccnc1 270004a_100000210453_100000749346 [0,1,1,0,0,0|1,0,0]=3 3944 B13R1.42 COCC(C)NCc1cccnn1 2230a_100159270163_100000765312 [0,1,1,0,0,0|2,0,0]=4 3945 B13R1.42 COCC(C)NCc1cncnc1 2230a_100011243677_100000765312 [0,1,1,0,0,0|2,0,0]=4 3946 B13R1.42 COCC(C)NCc1cncnc1 270004a_100011243677_100000749346 [0,1,1,0,0,0|2,0,0]=4 3947 B13R1.42 COCC(C)SCc1cccnc1 62a_100000741622_100000765312 [0,1,1,0,0,0|2,0,0]=4 3948 B13R1.42 COCC(C)SCc1cccnc1 62a_100000765312_100000741622 [0,1,1,0,0,0|2,0,0]=4 3949 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,1,1,0,0,0|2,0,0]=4 3950 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,1,1,0,0,0|2,0,0]=4 3951 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,1,1,0,0,0|2,0,0]=4 3952 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,1,1,0,0,0|2,0,0]=4 3953 B13R1.42 COC[C@@H](C)NCc1cccnc1 207a_100000764878_100000209961 [0,1,1,0,0,0|1,0,0]=3 3954 B13R1.42 COC[C@@H](C)NCc1cccnc1 2230a_100000764878_100000741622 [0,1,1,0,0,0|1,0,0]=3 3955 B13R1.42 COC[C@@H](C)NCc1cccnc1 270004a_100000764878_100000209961 [0,1,1,0,0,0|1,0,0]=3 3956 B13R1.42 COC[C@@H](C)NCc1cccnn1 2230a_100000764878_100016990269 [0,1,1,0,0,0|2,0,0]=4 3957 B13R1.42 COC[C@@H](C)NCc1ccnnc1 270004a_100000764878_100011934578 [0,1,1,0,0,0|2,0,0]=4 3958 B13R1.42 COC[C@@H](C)NCc1cnccn1 2230a_100000764878_100016995436 [0,1,1,0,0,0|2,0,0]=4 3959 B13R1.42 COC[C@@H](C)NCc1cnccn1 270004a_100000764878_100000749867 [0,1,1,0,0,0|2,0,0]=4 3960 B13R1.42 COC[C@@H](C)NCc1cncnc1 2230a_100000764878_100015196519 [0,1,1,0,0,0|2,0,0]=4 3961 B13R1.42 COC[C@@H](C)NCc1cncnc1 270004a_100000764878_100000749868 [0,1,1,0,0,0|2,0,0]=4 3962 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [0,1,1,0,0,0|2,0,0]=4 3963 B13R1.42 CSCC(=O)NCc1cccnc1 11a_100000210453_100000184570 [0,1,1,0,0,0|1,0,1]=4 3964 B13R1.42 CSCC(=O)NCc1cccnc1 240690a_100000210453_100000184570 [0,1,1,0,0,0|1,0,1]=4 3965 B13R1.42 CSCC(=O)NCc1cccnc1 527a_100000210453_100000184570 [0,1,1,0,0,0|1,0,1]=4 3966 B13R1.42 CSCC(=O)NCc1cccnc1 62a_100000752408_200000210301 [0,1,1,0,0,0|1,0,1]=4 3967 B13R1.42 CSCC(=O)NCc1cccnc1 62a_200000210301_100000752408 [0,1,1,0,0,0|1,0,1]=4 3968 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,1,1,0,0,0|2,0,0]=4 3969 B13R1.42 CSCC(C)NCc1cccnc1 270004a_100000210453_100011216314 [0,1,1,0,0,0|1,0,0]=3 3970 B13R1.42 CSCC(C)NCc1cncnc1 270004a_100011243677_100011216314 [0,1,1,0,0,0|2,0,0]=4 3971 B13R1.42 C[C@@H](CC#N)NCc1cccnc1 207a_100016994482_100000209961 [0,1,1,0,0,0|1,0,1]=4 3972 B13R1.42 C[C@@H](CC#N)NCc1cccnc1 2230a_100016994482_100000741622 [0,1,1,0,0,0|1,0,1]=4 3973 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,1,1,0,0,0|2,0,0]=4 3974 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,1,1,0,0,0|2,0,0]=4 3975 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,1,1,0,0,0|2,0,0]=4 3976 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,1,1,0,0,0|2,0,0]=4 3977 B13R1.42 C[C@H](CCO)NCc1cccnc1 207a_100000706166_100000209961 [0,1,1,0,0,0|1,0,0]=3 3978 B13R1.42 C[C@H](CCO)NCc1cccnc1 2230a_100000706166_100000741622 [0,1,1,0,0,0|1,0,0]=3 3979 B13R1.42 C[C@H](CCO)NCc1cccnc1 270004a_100000706166_100000209961 [0,1,1,0,0,0|1,0,0]=3 3980 B13R1.42 C[C@H](CCO)NCc1cccnc1 34a_100000706166_100000733263 [0,1,1,0,0,0|1,0,0]=3 3981 B13R1.42 C[C@H](CCO)NCc1cccnn1 2230a_100000706166_100016990269 [0,1,1,0,0,0|2,0,0]=4 3982 B13R1.42 C[C@H](CCO)NCc1cccnn1 34a_100000706166_100016990269 [0,1,1,0,0,0|2,0,0]=4 3983 B13R1.42 C[C@H](CCO)NCc1ccnnc1 270004a_100000706166_100011934578 [0,1,1,0,0,0|2,0,0]=4 3984 B13R1.42 C[C@H](CCO)NCc1cnccn1 2230a_100000706166_100016995436 [0,1,1,0,0,0|2,0,0]=4 3985 B13R1.42 C[C@H](CCO)NCc1cnccn1 270004a_100000706166_100000749867 [0,1,1,0,0,0|2,0,0]=4 3986 B13R1.42 C[C@H](CCO)NCc1cnccn1 34a_100000706166_100016995436 [0,1,1,0,0,0|2,0,0]=4 3987 B13R1.42 C[C@H](CCO)NCc1cncnc1 2230a_100000706166_100015196519 [0,1,1,0,0,0|2,0,0]=4 3988 B13R1.42 C[C@H](CCO)NCc1cncnc1 270004a_100000706166_100000749868 [0,1,1,0,0,0|2,0,0]=4 3989 B13R1.42 C[C@H](CCO)NCc1cncnc1 34a_100000706166_100015196519 [0,1,1,0,0,0|2,0,0]=4 3990 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,1,1,0,0,0|2,0,0]=4 3991 B13R1.42 O=C(CCF)CCc1cccnc1 1458a_100000198484_100011217306 [0,1,1,0,0,0|1,0,1]=4 3992 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100000198484_100000211926 [0,1,1,0,0,0|1,0,1]=4 3993 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100011216618_200011713674 [0,1,1,0,0,0|1,0,1]=4 3994 B13R1.42 O=C(CCO)NCc1cccnc1 240690a_100000210453_100011216618 [0,1,1,0,0,0|1,0,1]=4 3995 B13R1.42 [13CH3]SCC(=O)NCc1cccnc1 62a_100000752408_200025704644 [0,1,1,0,0,0|1,0,1]=4 3996 B13R1.42 [13CH3]SCC(=O)NCc1cccnc1 62a_200025704644_100000752408 [0,1,1,0,0,0|1,0,1]=4 3997 B13R1.44 C#CCCN(C)Cc1cccnc1 2230a_100000184577_100000688953 [0,1,1,0,0,0|0,0,2]=4 3998 B13R1.44 C#CCCN(C)Cc1cccnc1 269982a_100000184577_100000730999 [0,1,1,0,0,0|0,0,2]=4 3999 B13R1.44 C/C=C/CN(C)Cc1cccnc1 269982a_100000184577_100102629194 [0,1,1,0,0,0|0,0,2]=4 4000 B13R1.44 C=CCCN(C)Cc1cccnc1 2230a_100000184577_100000754431 [0,1,1,0,0,0|0,0,2]=4 4001 B13R1.44 C=CCCN(C)Cc1cccnc1 2230a_100020639649_100000741622 [0,1,1,0,0,0|0,0,2]=4 4002 B13R1.44 C=CCCN(C)Cc1cccnc1 269982a_100000184577_100000754431 [0,1,1,0,0,0|0,0,2]=4 4003 B13R1.44 C=CCCN(C)Cc1cccnc1 269982a_100020639649_100000733263 [0,1,1,0,0,0|0,0,2]=4 4004 B13R1.44 C=CCCN(C)Cc1cccnc1 270004a_100020639649_100000209961 [0,1,1,0,0,0|0,0,2]=4 4005 B13R1.44 CC#CCN(C)Cc1cccnc1 2230a_100000184577_100000748600 [0,1,1,0,0,0|0,0,2]=4 4006 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,1,1,0,0,0|2,0,0]=4 4007 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [0,1,1,0,0,0|2,0,0]=4 4008 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [0,1,1,0,0,0|2,0,0]=4 4009 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [0,1,1,0,0,0|2,0,0]=4 4010 B13R1.44 CC=CCN(C)Cc1cccnc1 2230a_100000184577_100000070051 [0,1,1,0,0,0|0,0,2]=4 4011 B13R1.44 CCCCC(=Cc1cccnc1)Br 271570a_206741709834_100000752921 [0,1,1,0,0,0|1,0,1]=4 4012 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,1,1,0,0,0|2,0,0]=4 4013 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,1,1,0,0,0|1,0,0]=3 4014 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,1,1,0,0,0|1,0,0]=3 4015 B13R1.44 CCCCC(=O)Cc1cccnn1 1458a_100000210183_100016990269 [0,1,1,0,0,0|2,0,0]=4 4016 B13R1.44 CCCCC(=O)Cc1cnccn1 1458a_100000210183_100016995436 [0,1,1,0,0,0|2,0,0]=4 4017 B13R1.44 CCCCC(=O)Cc1cncnc1 1458a_100000210183_100015196519 [0,1,1,0,0,0|2,0,0]=4 4018 B13R1.44 CCCCC(=O)Cc1cncnc1 1458a_100000721575_100000210211 [0,1,1,0,0,0|2,0,0]=4 4019 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [0,1,1,0,0,0|2,0,0]=4 4020 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [0,1,1,0,0,0|2,0,0]=4 4021 B13R1.44 CCCCC(C)Sc1cccnc1 62a_100000210063_200011215066 [0,1,1,0,0,0|2,0,0]=4 4022 B13R1.44 CCCCC(C)Sc1cccnc1 62a_200011215066_100000210063 [0,1,1,0,0,0|2,0,0]=4 4023 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,1,1,0,0,0|1,0,0]=3 4024 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,1,1,0,0,0|1,0,0]=3 4025 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,1,1,0,0,0|1,0,0]=3 4026 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,1,1,0,0,0|1,0,0]=3 4027 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,1,1,0,0,0|1,0,0]=3 4028 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,1,1,0,0,0|1,0,0]=3 4029 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,1,1,0,0,0|1,0,0]=3 4030 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207498_100000210211 [0,1,1,0,0,0|2,0,0]=4 4031 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207549_100000721315 [0,1,1,0,0,0|2,0,0]=4 4032 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_200000200672_200000210301 [0,1,1,0,0,0|2,0,0]=4 4033 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207498_100000210211 [0,1,1,0,0,0|2,0,0]=4 4034 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207549_100000721315 [0,1,1,0,0,0|2,0,0]=4 4035 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_200000200672_200000210301 [0,1,1,0,0,0|2,0,0]=4 4036 B13R1.44 CCCCN(C)Cc1ccccn1 270004a_100000207549_100000209966 [0,1,1,0,0,0|2,0,0]=4 4037 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000184577_100000210211 [0,1,1,0,0,0|0,0,0]=2 4038 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000207549_100000741622 [0,1,1,0,0,0|0,0,0]=2 4039 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_200000200674_200000210301 [0,1,1,0,0,0|0,0,0]=2 4040 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000184577_100000210211 [0,1,1,0,0,0|0,0,0]=2 4041 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000207549_100000733263 [0,1,1,0,0,0|0,0,0]=2 4042 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_200000200674_200000210301 [0,1,1,0,0,0|0,0,0]=2 4043 B13R1.44 CCCCN(C)Cc1cccnc1 270004a_100000207549_100000209961 [0,1,1,0,0,0|0,0,0]=2 4044 B13R1.44 CCCCN(C)Cc1cccnn1 2230a_100000207549_100016990269 [0,1,1,0,0,0|1,0,0]=3 4045 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000187231_100000210211 [0,1,1,0,0,0|2,0,0]=4 4046 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000207549_100015193705 [0,1,1,0,0,0|2,0,0]=4 4047 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_200015187765_200000210301 [0,1,1,0,0,0|2,0,0]=4 4048 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000187231_100000210211 [0,1,1,0,0,0|2,0,0]=4 4049 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000207549_100015193705 [0,1,1,0,0,0|2,0,0]=4 4050 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_200015187765_200000210301 [0,1,1,0,0,0|2,0,0]=4 4051 B13R1.44 CCCCN(C)Cc1ccnnc1 270004a_100000207549_100011934578 [0,1,1,0,0,0|1,0,0]=3 4052 B13R1.44 CCCCN(C)Cc1cnccn1 2230a_100000207549_100016995436 [0,1,1,0,0,0|1,0,0]=3 4053 B13R1.44 CCCCN(C)Cc1cnccn1 2230a_100011269079_100000210211 [0,1,1,0,0,0|1,0,0]=3 4054 B13R1.44 CCCCN(C)Cc1cnccn1 269982a_100000207549_100016995436 [0,1,1,0,0,0|1,0,0]=3 4055 B13R1.44 CCCCN(C)Cc1cnccn1 269982a_100011269079_100000210211 [0,1,1,0,0,0|1,0,0]=3 4056 B13R1.44 CCCCN(C)Cc1cnccn1 270004a_100000207549_100000749867 [0,1,1,0,0,0|1,0,0]=3 4057 B13R1.44 CCCCN(C)Cc1cncnc1 2230a_100000207549_100015196519 [0,1,1,0,0,0|1,0,0]=3 4058 B13R1.44 CCCCN(C)Cc1cncnc1 269982a_100000207549_100016991940 [0,1,1,0,0,0|1,0,0]=3 4059 B13R1.44 CCCCN(C)Cc1cncnc1 270004a_100000207549_100000749868 [0,1,1,0,0,0|1,0,0]=3 4060 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,1,1,0,0,0|1,0,0]=3 4061 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,1,1,0,0,0|1,0,0]=3 4062 B13R1.44 CCCCN([13CH3])Cc1ccccn1 2230a_200000200672_200025704644 [0,1,1,0,0,0|2,0,0]=4 4063 B13R1.44 CCCCN([13CH3])Cc1ccccn1 269982a_200000200672_200025704644 [0,1,1,0,0,0|2,0,0]=4 4064 B13R1.44 CCCCN([13CH3])Cc1cccnc1 2230a_200000200674_200025704644 [0,1,1,0,0,0|0,0,0]=2 4065 B13R1.44 CCCCN([13CH3])Cc1cccnc1 269982a_200000200674_200025704644 [0,1,1,0,0,0|0,0,0]=2 4066 B13R1.44 CCCCN([13CH3])Cc1ccncc1 2230a_200015187765_200025704644 [0,1,1,0,0,0|2,0,0]=4 4067 B13R1.44 CCCCN([13CH3])Cc1ccncc1 269982a_200015187765_200025704644 [0,1,1,0,0,0|2,0,0]=4 4068 B13R1.44 CCCNC(=O)Cc1cccnc1 11a_100020643023_100000737805 [0,1,1,0,0,0|2,0,0]=4 4069 B13R1.44 CCCNC(=O)Cc1cccnc1 240690a_100020643023_100000737805 [0,1,1,0,0,0|2,0,0]=4 4070 B13R1.44 CCCNC(=O)Cc1cccnc1 527a_100020643023_100000737805 [0,1,1,0,0,0|2,0,0]=4 4071 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,1,1,0,0,0|2,0,0]=4 4072 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,1,1,0,0,0|2,0,0]=4 4073 B13R1.44 CCOCC(=O)Cc1cccnc1 1458a_100000211967_100000733263 [0,1,1,0,0,0|2,0,0]=4 4074 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,1,1,0,0,0|2,0,0]=4 4075 B13R1.44 CCOCN(C)Cc1cccnc1 269982a_100000184577_100000739092 [0,1,1,0,0,0|1,0,0]=3 4076 B13R1.44 CCOCN(C)Cc1cnccn1 269982a_100011269079_100000739092 [0,1,1,0,0,0|2,0,0]=4 4077 B13R1.44 CCSCC(=O)Cc1cccnc1 1458a_100000230394_100000733263 [0,1,1,0,0,0|2,0,0]=4 4078 B13R1.44 CN(CCC#N)Cc1cccnc1 2230a_100000184479_100000741622 [0,1,1,0,0,0|1,0,1]=4 4079 B13R1.44 CN(CCC#N)Cc1cccnc1 2230a_100000184577_100011215226 [0,1,1,0,0,0|1,0,1]=4 4080 B13R1.44 CN(CCC#N)Cc1cccnc1 269982a_100000184577_100011215226 [0,1,1,0,0,0|1,0,1]=4 4081 B13R1.44 CN(CCC#N)Cc1cccnc1 270004a_100000184479_100000209961 [0,1,1,0,0,0|1,0,1]=4 4082 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [0,1,1,0,0,0|2,0,0]=4 4083 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [0,1,1,0,0,0|2,0,0]=4 4084 B13R1.44 CN(CCCF)Cc1cccnc1 2230a_100000184577_100011934791 [0,1,1,0,0,0|1,0,0]=3 4085 B13R1.44 CN(CCCF)Cc1cccnc1 269982a_100000184577_100011934791 [0,1,1,0,0,0|1,0,0]=3 4086 B13R1.44 CN(CCCF)Cc1cnccn1 2230a_100011269079_100011934791 [0,1,1,0,0,0|2,0,0]=4 4087 B13R1.44 CN(CCCF)Cc1cnccn1 269982a_100011269079_100011934791 [0,1,1,0,0,0|2,0,0]=4 4088 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [0,1,1,0,0,0|2,0,0]=4 4089 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [0,1,1,0,0,0|2,0,0]=4 4090 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [0,1,1,0,0,0|2,0,0]=4 4091 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [0,1,1,0,0,0|2,0,0]=4 4092 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [0,1,1,0,0,0|2,0,0]=4 4093 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [0,1,1,0,0,0|2,0,0]=4 4094 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [0,1,1,0,0,0|2,0,0]=4 4095 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000184577_100000230001 [0,1,1,0,0,0|1,0,0]=3 4096 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000213112_100000741622 [0,1,1,0,0,0|1,0,0]=3 4097 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_114849113521_200000210301 [0,1,1,0,0,0|1,0,0]=3 4098 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000184577_100011215043 [0,1,1,0,0,0|1,0,0]=3 4099 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000213112_100000733263 [0,1,1,0,0,0|1,0,0]=3 4100 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_114849113521_200000210301 [0,1,1,0,0,0|1,0,0]=3 4101 B13R1.44 CN(CCCO)Cc1cccnc1 270004a_100000213112_100000209961 [0,1,1,0,0,0|1,0,0]=3 4102 B13R1.44 CN(CCCO)Cc1cccnn1 2230a_100000213112_100016990269 [0,1,1,0,0,0|2,0,0]=4 4103 B13R1.44 CN(CCCO)Cc1ccnnc1 270004a_100000213112_100011934578 [0,1,1,0,0,0|2,0,0]=4 4104 B13R1.44 CN(CCCO)Cc1cnccn1 2230a_100000213112_100016995436 [0,1,1,0,0,0|2,0,0]=4 4105 B13R1.44 CN(CCCO)Cc1cnccn1 2230a_100011269079_100000230001 [0,1,1,0,0,0|2,0,0]=4 4106 B13R1.44 CN(CCCO)Cc1cnccn1 269982a_100000213112_100016995436 [0,1,1,0,0,0|2,0,0]=4 4107 B13R1.44 CN(CCCO)Cc1cnccn1 269982a_100011269079_100011215043 [0,1,1,0,0,0|2,0,0]=4 4108 B13R1.44 CN(CCCO)Cc1cnccn1 270004a_100000213112_100000749867 [0,1,1,0,0,0|2,0,0]=4 4109 B13R1.44 CN(CCCO)Cc1cncnc1 2230a_100000213112_100015196519 [0,1,1,0,0,0|2,0,0]=4 4110 B13R1.44 CN(CCCO)Cc1cncnc1 269982a_100000213112_100016991940 [0,1,1,0,0,0|2,0,0]=4 4111 B13R1.44 CN(CCCO)Cc1cncnc1 270004a_100000213112_100000749868 [0,1,1,0,0,0|2,0,0]=4 4112 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [0,1,1,0,0,0|2,0,0]=4 4113 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [0,1,1,0,0,0|2,0,0]=4 4114 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [0,1,1,0,0,0|2,0,0]=4 4115 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [0,1,1,0,0,0|2,0,0]=4 4116 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000737805_100000233755 [0,1,1,0,0,0|2,0,0]=4 4117 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000749529_100000733263 [0,1,1,0,0,0|2,0,0]=4 4118 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,1,1,0,0,0|2,0,0]=4 4119 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,1,1,0,0,0|2,0,0]=4 4120 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,1,1,0,0,0|2,0,0]=4 4121 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,1,1,0,0,0|2,0,0]=4 4122 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,1,1,0,0,0|2,0,0]=4 4123 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,1,1,0,0,0|2,0,0]=4 4124 B13R1.44 COCCN(C)Cc1cccnc1 2230a_100000184577_100011201679 [0,1,1,0,0,0|1,0,0]=3 4125 B13R1.44 COCCN(C)Cc1cccnc1 2230a_100000200124_200000210301 [0,1,1,0,0,0|1,0,0]=3 4126 B13R1.44 COCCN(C)Cc1cccnc1 2230a_100000743101_100000741622 [0,1,1,0,0,0|1,0,0]=3 4127 B13R1.44 COCCN(C)Cc1cccnc1 269982a_100000184577_100000233755 [0,1,1,0,0,0|1,0,0]=3 4128 B13R1.44 COCCN(C)Cc1cccnc1 269982a_100000200124_200000210301 [0,1,1,0,0,0|1,0,0]=3 4129 B13R1.44 COCCN(C)Cc1cccnc1 269982a_100000743101_100000733263 [0,1,1,0,0,0|1,0,0]=3 4130 B13R1.44 COCCN(C)Cc1cccnc1 270004a_100000743101_100000209961 [0,1,1,0,0,0|1,0,0]=3 4131 B13R1.44 COCCN(C)Cc1cccnn1 2230a_100000743101_100016990269 [0,1,1,0,0,0|2,0,0]=4 4132 B13R1.44 COCCN(C)Cc1ccnnc1 270004a_100000743101_100011934578 [0,1,1,0,0,0|2,0,0]=4 4133 B13R1.44 COCCN(C)Cc1cnccn1 2230a_100000743101_100016995436 [0,1,1,0,0,0|2,0,0]=4 4134 B13R1.44 COCCN(C)Cc1cnccn1 2230a_100011269079_100011201679 [0,1,1,0,0,0|2,0,0]=4 4135 B13R1.44 COCCN(C)Cc1cnccn1 269982a_100000743101_100016995436 [0,1,1,0,0,0|2,0,0]=4 4136 B13R1.44 COCCN(C)Cc1cnccn1 269982a_100011269079_100000233755 [0,1,1,0,0,0|2,0,0]=4 4137 B13R1.44 COCCN(C)Cc1cnccn1 270004a_100000743101_100000749867 [0,1,1,0,0,0|2,0,0]=4 4138 B13R1.44 COCCN(C)Cc1cncnc1 2230a_100000743101_100015196519 [0,1,1,0,0,0|2,0,0]=4 4139 B13R1.44 COCCN(C)Cc1cncnc1 269982a_100000743101_100016991940 [0,1,1,0,0,0|2,0,0]=4 4140 B13R1.44 COCCN(C)Cc1cncnc1 270004a_100000743101_100000749868 [0,1,1,0,0,0|2,0,0]=4 4141 B13R1.44 COCCN([13CH3])Cc1cccnc1 2230a_100000200124_200025704644 [0,1,1,0,0,0|1,0,0]=3 4142 B13R1.44 COCCN([13CH3])Cc1cccnc1 269982a_100000200124_200025704644 [0,1,1,0,0,0|1,0,0]=3 4143 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000174002_100000733263 [0,1,1,0,0,0|2,0,0]=4 4144 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000737805_100000751147 [0,1,1,0,0,0|2,0,0]=4 4145 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [0,1,1,0,0,0|2,0,0]=4 4146 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [0,1,1,0,0,0|2,0,0]=4 4147 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [0,1,1,0,0,0|2,0,0]=4 4148 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [0,1,1,0,0,0|2,0,0]=4 4149 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [0,1,1,0,0,0|2,0,0]=4 4150 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [0,1,1,0,0,0|2,0,0]=4 4151 B13R1.44 CSCCN(C)Cc1cccnc1 2230a_100000184577_100000751147 [0,1,1,0,0,0|1,0,0]=3 4152 B13R1.44 CSCCN(C)Cc1cccnc1 2230a_100000686725_100000741622 [0,1,1,0,0,0|1,0,0]=3 4153 B13R1.44 CSCCN(C)Cc1cccnc1 269982a_100000184577_100000212216 [0,1,1,0,0,0|1,0,0]=3 4154 B13R1.44 CSCCN(C)Cc1cccnc1 269982a_100000686725_100000733263 [0,1,1,0,0,0|1,0,0]=3 4155 B13R1.44 CSCCN(C)Cc1cccnc1 270004a_100000686725_100000209961 [0,1,1,0,0,0|1,0,0]=3 4156 B13R1.44 CSCCN(C)Cc1cccnn1 2230a_100000686725_100016990269 [0,1,1,0,0,0|2,0,0]=4 4157 B13R1.44 CSCCN(C)Cc1ccnnc1 270004a_100000686725_100011934578 [0,1,1,0,0,0|2,0,0]=4 4158 B13R1.44 CSCCN(C)Cc1cnccn1 2230a_100000686725_100016995436 [0,1,1,0,0,0|2,0,0]=4 4159 B13R1.44 CSCCN(C)Cc1cnccn1 2230a_100011269079_100000751147 [0,1,1,0,0,0|2,0,0]=4 4160 B13R1.44 CSCCN(C)Cc1cnccn1 269982a_100000686725_100016995436 [0,1,1,0,0,0|2,0,0]=4 4161 B13R1.44 CSCCN(C)Cc1cnccn1 269982a_100011269079_100000212216 [0,1,1,0,0,0|2,0,0]=4 4162 B13R1.44 CSCCN(C)Cc1cnccn1 270004a_100000686725_100000749867 [0,1,1,0,0,0|2,0,0]=4 4163 B13R1.44 CSCCN(C)Cc1cncnc1 2230a_100000686725_100015196519 [0,1,1,0,0,0|2,0,0]=4 4164 B13R1.44 CSCCN(C)Cc1cncnc1 269982a_100000686725_100016991940 [0,1,1,0,0,0|2,0,0]=4 4165 B13R1.44 CSCCN(C)Cc1cncnc1 270004a_100000686725_100000749868 [0,1,1,0,0,0|2,0,0]=4 4166 B13R1.44 O=C(CCCF)Cc1cccnc1 1458a_100000737805_100011934791 [0,1,1,0,0,0|1,0,1]=4 4167 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,1,1,0,0,0|1,0,1]=4 4168 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [0,1,1,0,0,0|2,0,0]=4 4169 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [0,1,1,0,0,0|2,0,0]=4 4170 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 2230a_114849113521_200025704644 [0,1,1,0,0,0|1,0,0]=3 4171 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 269982a_114849113521_200025704644 [0,1,1,0,0,0|1,0,0]=3 4172 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,1,1,0,0,0|1,0,1]=4 4173 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,1,1,0,0,0|1,0,1]=4 4174 B13R1.337 C=C(C)CCNCc1cccnn1 2230a_100159270163_100000730704 [0,1,1,0,0,0|1,0,1]=4 4175 B13R1.337 C=C(C)CCNCc1cncnc1 2230a_100011243677_100000730704 [0,1,1,0,0,0|1,0,1]=4 4176 B13R1.337 C=C(C)CCOCc1cccnc1 34a_100000764851_100000733263 [0,1,1,0,0,0|1,0,1]=4 4177 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000730704_100000741622 [0,1,1,0,0,0|1,0,1]=4 4178 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000741622_100000730704 [0,1,1,0,0,0|1,0,1]=4 4179 B13R1.337 CC(=CCNCc1cccnc1)C 270004a_100000718196_100000209961 [0,1,1,0,0,0|0,0,2]=4 4180 B13R1.337 CC(=CCNCc1cccnc1)C 34a_100000718196_100000733263 [0,1,1,0,0,0|0,0,2]=4 4181 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,1,1,0,0,0|1,0,1]=4 4182 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,1,1,0,0,0|1,0,1]=4 4183 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [0,1,1,0,0,0|1,0,1]=4 4184 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [0,1,1,0,0,0|1,0,1]=4 4185 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,1,1,0,0,0|2,0,0]=4 4186 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [0,1,1,0,0,0|1,0,0]=3 4187 B13R1.337 CC(Br)CCOCc1cccnn1 34a_100009893172_100016990269 [0,1,1,0,0,0|2,0,0]=4 4188 B13R1.337 CC(Br)CCOCc1cnccn1 34a_100009893172_100016995436 [0,1,1,0,0,0|2,0,0]=4 4189 B13R1.337 CC(Br)CCOCc1cncnc1 34a_100009893172_100015196519 [0,1,1,0,0,0|2,0,0]=4 4190 B13R1.337 CC(C)C=NNCc1cccnc1 4a_100000738295_100000210432 [0,1,1,0,0,0|1,0,1]=4 4191 B13R1.337 CC(C)CCCOc1cccnc1 34a_100000210849_100011214892 [0,1,1,0,0,0|2,0,0]=4 4192 B13R1.337 CC(C)CCCOc1cccnc1 7a_100000210849_100011214892 [0,1,1,0,0,0|2,0,0]=4 4193 B13R1.337 CC(C)CCCSc1cccnc1 62a_100000210063_100011214892 [0,1,1,0,0,0|2,0,0]=4 4194 B13R1.337 CC(C)CCCSc1cccnc1 62a_100011214892_100000210063 [0,1,1,0,0,0|2,0,0]=4 4195 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,1,1,0,0,0|1,0,0]=3 4196 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,1,1,0,0,0|1,0,0]=3 4197 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,1,1,0,0,0|1,0,0]=3 4198 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,1,1,0,0,0|1,0,0]=3 4199 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,1,1,0,0,0|1,0,0]=3 4200 B13R1.337 CC(C)CCNCc1ccccn1 207a_100000210545_100000209966 [0,1,1,0,0,0|2,0,0]=4 4201 B13R1.337 CC(C)CCNCc1ccccn1 270004a_100000210545_100000209966 [0,1,1,0,0,0|2,0,0]=4 4202 B13R1.337 CC(C)CCNCc1cccnc1 207a_100000210545_100000209961 [0,1,1,0,0,0|0,0,0]=2 4203 B13R1.337 CC(C)CCNCc1cccnc1 269862a_100000210453_100000185833 [0,1,1,0,0,0|0,0,0]=2 4204 B13R1.337 CC(C)CCNCc1cccnc1 270004a_100000210545_100000209961 [0,1,1,0,0,0|0,0,0]=2 4205 B13R1.337 CC(C)CCNCc1cccnn1 2230a_100159270163_100000210312 [0,1,1,0,0,0|1,0,0]=3 4206 B13R1.337 CC(C)CCNCc1cccnn1 269862a_100159270163_100000185833 [0,1,1,0,0,0|1,0,0]=3 4207 B13R1.337 CC(C)CCNCc1ccncc1 207a_100000210545_100000186114 [0,1,1,0,0,0|2,0,0]=4 4208 B13R1.337 CC(C)CCNCc1ccncc1 269862a_100000210450_100000185833 [0,1,1,0,0,0|2,0,0]=4 4209 B13R1.337 CC(C)CCNCc1ccnnc1 270004a_100000210545_100011934578 [0,1,1,0,0,0|1,0,0]=3 4210 B13R1.337 CC(C)CCNCc1cnccn1 270004a_100000210545_100000749867 [0,1,1,0,0,0|1,0,0]=3 4211 B13R1.337 CC(C)CCNCc1cncnc1 2230a_100011243677_100000210312 [0,1,1,0,0,0|1,0,0]=3 4212 B13R1.337 CC(C)CCNCc1cncnc1 269862a_100011243677_100000185833 [0,1,1,0,0,0|1,0,0]=3 4213 B13R1.337 CC(C)CCNCc1cncnc1 270004a_100000210545_100000749868 [0,1,1,0,0,0|1,0,0]=3 4214 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,1,1,0,0,0|2,0,0]=4 4215 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,1,1,0,0,0|2,0,0]=4 4216 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,1,1,0,0,0|2,0,0]=4 4217 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,1,1,0,0,0|2,0,0]=4 4218 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [0,1,1,0,0,0|1,0,0]=3 4219 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [0,1,1,0,0,0|1,0,0]=3 4220 B13R1.337 CC(C)CCOCc1cccnn1 34a_100000210254_100016990269 [0,1,1,0,0,0|2,0,0]=4 4221 B13R1.337 CC(C)CCOCc1cccnn1 7a_100000210254_100016990269 [0,1,1,0,0,0|2,0,0]=4 4222 B13R1.337 CC(C)CCOCc1cnccn1 34a_100000210254_100016995436 [0,1,1,0,0,0|2,0,0]=4 4223 B13R1.337 CC(C)CCOCc1cnccn1 7a_100000210254_100016995436 [0,1,1,0,0,0|2,0,0]=4 4224 B13R1.337 CC(C)CCOCc1cncnc1 34a_100000210254_100015196519 [0,1,1,0,0,0|2,0,0]=4 4225 B13R1.337 CC(C)CCOCc1cncnc1 7a_100000210254_100015196519 [0,1,1,0,0,0|2,0,0]=4 4226 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,1,1,0,0,0|2,0,0]=4 4227 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,1,1,0,0,0|2,0,0]=4 4228 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000210312_100000741622 [0,1,1,0,0,0|1,0,0]=3 4229 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000741622_100000210312 [0,1,1,0,0,0|1,0,0]=3 4230 B13R1.337 CC(C)CCSCc1cccnn1 62a_100000210312_100016990269 [0,1,1,0,0,0|2,0,0]=4 4231 B13R1.337 CC(C)CCSCc1cccnn1 62a_100016990269_100000210312 [0,1,1,0,0,0|2,0,0]=4 4232 B13R1.337 CC(C)CCSCc1cnccn1 62a_100000210312_100016995436 [0,1,1,0,0,0|2,0,0]=4 4233 B13R1.337 CC(C)CCSCc1cnccn1 62a_100016995436_100000210312 [0,1,1,0,0,0|2,0,0]=4 4234 B13R1.337 CC(C)CCSCc1cncnc1 62a_100000210312_100015196519 [0,1,1,0,0,0|2,0,0]=4 4235 B13R1.337 CC(C)CCSCc1cncnc1 62a_100015196519_100000210312 [0,1,1,0,0,0|2,0,0]=4 4236 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000210953_200011713674 [0,1,1,0,0,0|2,0,0]=4 4237 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000736294_100000210760 [0,1,1,0,0,0|2,0,0]=4 4238 B13R1.337 CC(C)CNCCc1cccnc1 270004a_100000736294_100000210432 [0,1,1,0,0,0|2,0,0]=4 4239 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [0,1,1,0,0,0|2,0,0]=4 4240 B13R1.337 CC(C)CSCCc1cccnc1 62a_100000210624_200011713674 [0,1,1,0,0,0|2,0,0]=4 4241 B13R1.337 CC(C)CSCCc1cccnc1 62a_200011713674_100000210760 [0,1,1,0,0,0|2,0,0]=4 4242 B13R1.337 CC(C)NCCCc1cccnc1 2230a_100011532358_100000210206 [0,1,1,0,0,0|2,0,0]=4 4243 B13R1.337 CC(C)NCCCc1cccnc1 34a_100011532358_100000210206 [0,1,1,0,0,0|2,0,0]=4 4244 B13R1.337 CC(C)OCCCc1cccnc1 34a_100000211284_100000210206 [0,1,1,0,0,0|2,0,0]=4 4245 B13R1.337 CC(C)OCNCc1ccccc1 2230a_100015324214_100000709892 [0,1,1,0,0,0|2,0,0]=4 4246 B13R1.337 CC(C)OCNCc1ccccc1 34a_100015324214_100000709892 [0,1,1,0,0,0|2,0,0]=4 4247 B13R1.337 CC(C)OCNCc1cccnn1 2230a_100159270163_100000709892 [0,1,1,0,0,0|2,0,0]=4 4248 B13R1.337 CC(C)OCNCc1cncnc1 2230a_100011243677_100000709892 [0,1,1,0,0,0|2,0,0]=4 4249 B13R1.337 CC(C)OCSCc1cccnc1 62a_100000709892_100000741622 [0,1,1,0,0,0|2,0,0]=4 4250 B13R1.337 CC(C)OCSCc1cccnc1 62a_100000741622_100000709892 [0,1,1,0,0,0|2,0,0]=4 4251 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,1,1,0,0,0|2,0,0]=4 4252 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,1,1,0,0,0|2,0,0]=4 4253 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,1,1,0,0,0|2,0,0]=4 4254 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,1,1,0,0,0|2,0,0]=4 4255 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,1,1,0,0,0|1,0,0]=3 4256 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,1,1,0,0,0|1,0,0]=3 4257 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,1,1,0,0,0|1,0,0]=3 4258 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,1,1,0,0,0|1,0,0]=3 4259 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,1,1,0,0,0|1,0,0]=3 4260 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,1,1,0,0,0|2,0,0]=4 4261 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,1,1,0,0,0|2,0,0]=4 4262 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,1,1,0,0,0|2,0,0]=4 4263 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,1,1,0,0,0|0,0,0]=2 4264 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,1,1,0,0,0|0,0,0]=2 4265 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,1,1,0,0,0|0,0,0]=2 4266 B13R1.337 CC(O)CCNCc1cccnn1 2230a_100159270163_100012276601 [0,1,1,0,0,0|1,0,0]=3 4267 B13R1.337 CC(O)CCNCc1cccnn1 2230a_200000755665_100016990269 [0,1,1,0,0,0|1,0,0]=3 4268 B13R1.337 CC(O)CCNCc1ccncc1 207a_200000755665_100000186114 [0,1,1,0,0,0|2,0,0]=4 4269 B13R1.337 CC(O)CCNCc1ccncc1 2230a_200000755665_100015193705 [0,1,1,0,0,0|2,0,0]=4 4270 B13R1.337 CC(O)CCNCc1ccnnc1 270004a_200000755665_100011934578 [0,1,1,0,0,0|1,0,0]=3 4271 B13R1.337 CC(O)CCNCc1cnccn1 2230a_200000755665_100016995436 [0,1,1,0,0,0|1,0,0]=3 4272 B13R1.337 CC(O)CCNCc1cnccn1 270004a_200000755665_100000749867 [0,1,1,0,0,0|1,0,0]=3 4273 B13R1.337 CC(O)CCNCc1cncnc1 2230a_100011243677_100012276601 [0,1,1,0,0,0|1,0,0]=3 4274 B13R1.337 CC(O)CCNCc1cncnc1 2230a_200000755665_100015196519 [0,1,1,0,0,0|1,0,0]=3 4275 B13R1.337 CC(O)CCNCc1cncnc1 270004a_200000755665_100000749868 [0,1,1,0,0,0|1,0,0]=3 4276 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,1,1,0,0,0|2,0,0]=4 4277 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,1,1,0,0,0|2,0,0]=4 4278 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,1,1,0,0,0|2,0,0]=4 4279 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,1,1,0,0,0|2,0,0]=4 4280 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,1,1,0,0,0|1,0,0]=3 4281 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,1,1,0,0,0|1,0,0]=3 4282 B13R1.337 CC(O)CCSCc1cccnn1 62a_100012276601_100016990269 [0,1,1,0,0,0|2,0,0]=4 4283 B13R1.337 CC(O)CCSCc1cccnn1 62a_100016990269_100012276601 [0,1,1,0,0,0|2,0,0]=4 4284 B13R1.337 CC(O)CCSCc1cnccn1 62a_100012276601_100016995436 [0,1,1,0,0,0|2,0,0]=4 4285 B13R1.337 CC(O)CCSCc1cnccn1 62a_100016995436_100012276601 [0,1,1,0,0,0|2,0,0]=4 4286 B13R1.337 CC(O)CCSCc1cncnc1 62a_100012276601_100015196519 [0,1,1,0,0,0|2,0,0]=4 4287 B13R1.337 CC(O)CCSCc1cncnc1 62a_100015196519_100012276601 [0,1,1,0,0,0|2,0,0]=4 4288 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,1,1,0,0,0|2,0,0]=4 4289 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,1,1,0,0,0|2,0,0]=4 4290 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,1,1,0,0,0|2,0,0]=4 4291 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,1,1,0,0,0|2,0,0]=4 4292 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,1,1,0,0,0|2,0,0]=4 4293 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,1,1,0,0,0|2,0,0]=4 4294 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,1,1,0,0,0|2,0,0]=4 4295 B13R1.337 CN(C)CCNCc1cccnc1 207a_100000210585_100000209961 [0,1,1,0,0,0|1,0,0]=3 4296 B13R1.337 CN(C)CCNCc1cccnc1 270004a_100000210585_100000209961 [0,1,1,0,0,0|1,0,0]=3 4297 B13R1.337 CN(C)CCNCc1ccnnc1 270004a_100000210585_100011934578 [0,1,1,0,0,0|2,0,0]=4 4298 B13R1.337 CN(C)CCNCc1cnccn1 270004a_100000210585_100000749867 [0,1,1,0,0,0|2,0,0]=4 4299 B13R1.337 CN(C)CCNCc1cncnc1 270004a_100000210585_100000749868 [0,1,1,0,0,0|2,0,0]=4 4300 B13R1.337 CN(C)CCSCc1cccnc1 62a_100000741622_100000755713 [0,1,1,0,0,0|2,0,0]=4 4301 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,1,1,0,0,0|2,0,0]=4 4302 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [0,1,1,0,0,0|1,0,0]=3 4303 B13R1.337 C[C@@H](N)CCOCc1cccnn1 34a_100000706166_100016990269 [0,1,1,0,0,0|2,0,0]=4 4304 B13R1.337 C[C@@H](N)CCOCc1cnccn1 34a_100000706166_100016995436 [0,1,1,0,0,0|2,0,0]=4 4305 B13R1.337 C[C@@H](N)CCOCc1cncnc1 34a_100000706166_100015196519 [0,1,1,0,0,0|2,0,0]=4 4306 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,1,1,0,0,0|2,0,0]=4 4307 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,1,1,0,0,0|2,0,0]=4 4308 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,1,1,0,0,0|2,0,0]=4 4309 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,1,1,0,0,0|2,0,0]=4 4310 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,1,1,0,0,0|2,0,0]=4 4311 B13R1.337 FC(F)CCOCc1cccnc1 34a_100103093639_100000733263 [0,1,1,0,0,0|2,0,0]=4 4312 B13R1.337 FC(F)CNCCc1cccnc1 2230a_100000736294_100011934356 [0,1,1,0,0,0|2,0,0]=4 4313 B13R1.337 FC(F)COCCc1cccnc1 34a_100011217484_100011934356 [0,1,1,0,0,0|2,0,0]=4 4314 B13R1.337 FC(F)CSCCc1cccnc1 62a_100011934356_200011713674 [0,1,1,0,0,0|2,0,0]=4 4315 B13R1.337 FC(F)CSCCc1cccnc1 62a_200011713674_100011934356 [0,1,1,0,0,0|2,0,0]=4 4316 B13R1.337 NC(=O)CCCOc1cccnc1 34a_100000210849_100102525003 [0,1,1,0,0,0|1,0,1]=4 4317 B13R1.337 NC(=O)CCCOc1cccnc1 7a_100000210849_100102525003 [0,1,1,0,0,0|1,0,1]=4 4318 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100000210063_100102525003 [0,1,1,0,0,0|1,0,1]=4 4319 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100102525003_100000210063 [0,1,1,0,0,0|1,0,1]=4 4320 B13R1.337 NC(=O)CCNCc1cccnc1 207a_100000740010_100000209961 [0,1,1,0,0,0|1,0,1]=4 4321 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [0,1,1,0,0,0|1,0,1]=4 4322 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [0,1,1,0,0,0|1,0,1]=4 4323 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [0,1,1,0,0,0|1,0,1]=4 4324 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [0,1,1,0,0,0|1,0,1]=4 4325 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000711301_200011713674 [0,1,1,0,0,0|1,0,1]=4 4326 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000736294_100000747473 [0,1,1,0,0,0|1,0,1]=4 4327 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [0,1,1,0,0,0|1,0,1]=4 4328 B13R1.337 NC(=O)CSCCc1cccnc1 62a_100000747473_200011713674 [0,1,1,0,0,0|1,0,1]=4 4329 B13R1.337 NC(=O)CSCCc1cccnc1 62a_200011713674_100000747473 [0,1,1,0,0,0|1,0,1]=4 4330 B13R1.555 BrCCCOCc1cccnc1Br 34a_100011217188_100010140945 [0,1,1,0,0,0|2,0,0]=4 4331 B13R1.555 C#CCCNCc1cccnc1Br 2230a_100009818023_100000688953 [0,1,1,0,0,0|0,0,2]=4 4332 B13R1.555 C#CCCNCc1cccnc1Br 34a_100000755551_100010140945 [0,1,1,0,0,0|0,0,2]=4 4333 B13R1.555 C#CCCNCc1cccnc1Br 34a_100009818023_100000688953 [0,1,1,0,0,0|0,0,2]=4 4334 B13R1.555 C#CCCNCc1cccnc1C 34a_100000755551_100000732876 [0,1,1,0,0,0|0,0,2]=4 4335 B13R1.555 C#CCCNCc1cccnc1Cl 2230a_100015189234_100000688953 [0,1,1,0,0,0|0,0,2]=4 4336 B13R1.555 C#CCCNCc1cccnc1Cl 34a_100000755551_100000045678 [0,1,1,0,0,0|0,0,2]=4 4337 B13R1.555 C#CCCNCc1cccnc1Cl 34a_100015189234_100000688953 [0,1,1,0,0,0|0,0,2]=4 4338 B13R1.555 C#CCCNCc1cccnc1F 34a_100000724633_100000688953 [0,1,1,0,0,0|0,0,2]=4 4339 B13R1.555 C#CCCNCc1cccnc1F 34a_100000755551_100000099810 [0,1,1,0,0,0|0,0,2]=4 4340 B13R1.555 C#CCCNCc1cnccc1C 34a_100000755551_100000690890 [0,1,1,0,0,0|0,0,2]=4 4341 B13R1.555 C/C=C/CNCc1cccnc1Br 34a_100009818023_100102629194 [0,1,1,0,0,0|0,0,2]=4 4342 B13R1.555 C/C=C/CNCc1cccnc1Cl 34a_100015189234_100102629194 [0,1,1,0,0,0|0,0,2]=4 4343 B13R1.555 C/C=C/CNCc1cccnc1F 34a_100000724633_100102629194 [0,1,1,0,0,0|0,0,2]=4 4344 B13R1.555 C=CCCNCc1cccnc1Br 2230a_100009818023_100000754431 [0,1,1,0,0,0|0,0,2]=4 4345 B13R1.555 C=CCCNCc1cccnc1Br 2230a_100015191253_100010140945 [0,1,1,0,0,0|0,0,2]=4 4346 B13R1.555 C=CCCNCc1cccnc1Br 34a_100009818023_100000754431 [0,1,1,0,0,0|0,0,2]=4 4347 B13R1.555 C=CCCNCc1cccnc1C 207a_100015191253_100000751968 [0,1,1,0,0,0|0,0,2]=4 4348 B13R1.555 C=CCCNCc1cccnc1C 2230a_100015191253_100000732876 [0,1,1,0,0,0|0,0,2]=4 4349 B13R1.555 C=CCCNCc1cccnc1C 270004a_100015191253_100000751968 [0,1,1,0,0,0|0,0,2]=4 4350 B13R1.555 C=CCCNCc1cccnc1Cl 2230a_100015189234_100000754431 [0,1,1,0,0,0|0,0,2]=4 4351 B13R1.555 C=CCCNCc1cccnc1Cl 2230a_100015191253_100000045678 [0,1,1,0,0,0|0,0,2]=4 4352 B13R1.555 C=CCCNCc1cccnc1Cl 34a_100015189234_100000754431 [0,1,1,0,0,0|0,0,2]=4 4353 B13R1.555 C=CCCNCc1cccnc1F 2230a_100015191253_100000099810 [0,1,1,0,0,0|0,0,2]=4 4354 B13R1.555 C=CCCNCc1cccnc1F 34a_100000724633_100000754431 [0,1,1,0,0,0|0,0,2]=4 4355 B13R1.555 C=CCCNCc1cccnc1O 207a_100015191253_100011998315 [0,1,1,0,0,0|0,0,2]=4 4356 B13R1.555 C=CCCNCc1cccnc1O 270004a_100015191253_100011998315 [0,1,1,0,0,0|0,0,2]=4 4357 B13R1.555 C=CCCNCc1cnccc1Br 270004a_100015191253_100009816821 [0,1,1,0,0,0|0,0,2]=4 4358 B13R1.555 C=CCCNCc1cnccc1C 207a_100015191253_100000685662 [0,1,1,0,0,0|0,0,2]=4 4359 B13R1.555 C=CCCNCc1cnccc1C 2230a_100015191253_100000690890 [0,1,1,0,0,0|0,0,2]=4 4360 B13R1.555 C=CCCNCc1cnccc1C 270004a_100015191253_100000685662 [0,1,1,0,0,0|0,0,2]=4 4361 B13R1.555 C=CCCNCc1cnccc1Cl 270004a_100015191253_100000050567 [0,1,1,0,0,0|0,0,2]=4 4362 B13R1.555 CC#CCNCc1cccnc1Br 2230a_100000685387_100010140945 [0,1,1,0,0,0|0,0,2]=4 4363 B13R1.555 CC#CCNCc1cccnc1Br 2230a_100009818023_100000748600 [0,1,1,0,0,0|0,0,2]=4 4364 B13R1.555 CC#CCNCc1cccnc1Br 34a_100000685387_100010140945 [0,1,1,0,0,0|0,0,2]=4 4365 B13R1.555 CC#CCNCc1cccnc1Br 34a_100009818023_100000748600 [0,1,1,0,0,0|0,0,2]=4 4366 B13R1.555 CC#CCNCc1cccnc1C 2230a_100000685387_100000732876 [0,1,1,0,0,0|0,0,2]=4 4367 B13R1.555 CC#CCNCc1cccnc1C 34a_100000685387_100000732876 [0,1,1,0,0,0|0,0,2]=4 4368 B13R1.555 CC#CCNCc1cccnc1Cl 2230a_100000685387_100000045678 [0,1,1,0,0,0|0,0,2]=4 4369 B13R1.555 CC#CCNCc1cccnc1Cl 2230a_100015189234_100000748600 [0,1,1,0,0,0|0,0,2]=4 4370 B13R1.555 CC#CCNCc1cccnc1Cl 34a_100000685387_100000045678 [0,1,1,0,0,0|0,0,2]=4 4371 B13R1.555 CC#CCNCc1cccnc1Cl 34a_100015189234_100000748600 [0,1,1,0,0,0|0,0,2]=4 4372 B13R1.555 CC#CCNCc1cccnc1F 2230a_100000685387_100000099810 [0,1,1,0,0,0|0,0,2]=4 4373 B13R1.555 CC#CCNCc1cccnc1F 34a_100000685387_100000099810 [0,1,1,0,0,0|0,0,2]=4 4374 B13R1.555 CC#CCNCc1cccnc1F 34a_100000724633_100000748600 [0,1,1,0,0,0|0,0,2]=4 4375 B13R1.555 CC#CCNCc1cnccc1C 2230a_100000685387_100000690890 [0,1,1,0,0,0|0,0,2]=4 4376 B13R1.555 CC#CCNCc1cnccc1C 34a_100000685387_100000690890 [0,1,1,0,0,0|0,0,2]=4 4377 B13R1.555 CC=CCNCc1cccnc1Br 2230a_100009818023_100000070051 [0,1,1,0,0,0|0,0,2]=4 4378 B13R1.555 CC=CCNCc1cccnc1Br 34a_100009818023_100000070051 [0,1,1,0,0,0|0,0,2]=4 4379 B13R1.555 CC=CCNCc1cccnc1Cl 2230a_100015189234_100000070051 [0,1,1,0,0,0|0,0,2]=4 4380 B13R1.555 CC=CCNCc1cccnc1Cl 34a_100015189234_100000070051 [0,1,1,0,0,0|0,0,2]=4 4381 B13R1.555 CC=CCNCc1cccnc1F 34a_100000724633_100000070051 [0,1,1,0,0,0|0,0,2]=4 4382 B13R1.555 CCCCC=Cc1cccnc1Br 271570a_100016275911_100010202626 [0,1,1,0,0,0|1,0,1]=4 4383 B13R1.555 CCCCC=Cc1cccnc1C 271570a_100016275911_100000751574 [0,1,1,0,0,0|1,0,1]=4 4384 B13R1.555 CCCCC=Cc1cccnc1Cl 271570a_100016275911_100000036424 [0,1,1,0,0,0|1,0,1]=4 4385 B13R1.555 CCCCC=Cc1cccnc1F 271570a_100016275911_100009816115 [0,1,1,0,0,0|1,0,1]=4 4386 B13R1.555 CCCCC=Cc1cccnc1N 271570a_100016275911_100000045569 [0,1,1,0,0,0|1,0,1]=4 4387 B13R1.555 CCCCC=Cc1cnccc1Br 271570a_100016275911_100010138639 [0,1,1,0,0,0|1,0,1]=4 4388 B13R1.555 CCCCC=Cc1cnccc1C 271570a_100016275911_100000761580 [0,1,1,0,0,0|1,0,1]=4 4389 B13R1.555 CCCCC=Cc1cnccc1Cl 271570a_100016275911_100009995489 [0,1,1,0,0,0|1,0,1]=4 4390 B13R1.555 CCCCC=Cc1cnccc1F 271570a_100016275911_100009820683 [0,1,1,0,0,0|1,0,1]=4 4391 B13R1.555 CCCCC=Cc1cnccc1N 271570a_100016275911_100000047001 [0,1,1,0,0,0|1,0,1]=4 4392 B13R1.555 CCCCCOc1cccnc1Br 34a_100000744436_100000718602 [0,1,1,0,0,0|2,0,0]=4 4393 B13R1.555 CCCCCOc1cccnc1Br 7a_100000744436_100000210326 [0,1,1,0,0,0|2,0,0]=4 4394 B13R1.555 CCCCCOc1cccnc1C 34a_100000745507_100000718602 [0,1,1,0,0,0|2,0,0]=4 4395 B13R1.555 CCCCCOc1cccnc1C 7a_100000745507_100000210326 [0,1,1,0,0,0|2,0,0]=4 4396 B13R1.555 CCCCCOc1cccnc1Cl 34a_100000757616_100000718602 [0,1,1,0,0,0|2,0,0]=4 4397 B13R1.555 CCCCCOc1cccnc1Cl 7a_100000757616_100000210326 [0,1,1,0,0,0|2,0,0]=4 4398 B13R1.555 CCCCCOc1cccnc1F 34a_100000061740_100000718602 [0,1,1,0,0,0|2,0,0]=4 4399 B13R1.555 CCCCCOc1cccnc1F 7a_100000061740_100000210326 [0,1,1,0,0,0|2,0,0]=4 4400 B13R1.555 CCCCCOc1cccnc1I 34a_100000034122_100000718602 [0,1,1,0,0,0|2,0,0]=4 4401 B13R1.555 CCCCCOc1cccnc1I 7a_100000034122_100000210326 [0,1,1,0,0,0|2,0,0]=4 4402 B13R1.555 CCCCCOc1cccnc1N 34a_100000211975_100000718602 [0,1,1,0,0,0|2,0,0]=4 4403 B13R1.555 CCCCCOc1cccnc1N 7a_100000211975_100000210326 [0,1,1,0,0,0|2,0,0]=4 4404 B13R1.555 CCCCCOc1cnccc1C 34a_100011997053_100000718602 [0,1,1,0,0,0|2,0,0]=4 4405 B13R1.555 CCCCCOc1cnccc1C 7a_100011997053_100000210326 [0,1,1,0,0,0|2,0,0]=4 4406 B13R1.555 CCCCCOc1cnccc1Cl 34a_100011996695_100000718602 [0,1,1,0,0,0|2,0,0]=4 4407 B13R1.555 CCCCCOc1cnccc1I 34a_100000050107_100000718602 [0,1,1,0,0,0|2,0,0]=4 4408 B13R1.555 CCCCCOc1cnccc1N 34a_100000753702_100000718602 [0,1,1,0,0,0|2,0,0]=4 4409 B13R1.555 CCCCCSc1cccnc1Br 62a_100000210326_100010202626 [0,1,1,0,0,0|2,0,0]=4 4410 B13R1.555 CCCCCSc1cccnc1Br 62a_100010202626_100000210326 [0,1,1,0,0,0|2,0,0]=4 4411 B13R1.555 CCCCCSc1cccnc1C 62a_100000210326_100000751574 [0,1,1,0,0,0|2,0,0]=4 4412 B13R1.555 CCCCCSc1cccnc1C 62a_100000751574_100000210326 [0,1,1,0,0,0|2,0,0]=4 4413 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000036424_100000210326 [0,1,1,0,0,0|2,0,0]=4 4414 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000210326_100000036424 [0,1,1,0,0,0|2,0,0]=4 4415 B13R1.555 CCCCCSc1cccnc1F 62a_100000210326_100009816115 [0,1,1,0,0,0|2,0,0]=4 4416 B13R1.555 CCCCCSc1cccnc1F 62a_100009816115_100000210326 [0,1,1,0,0,0|2,0,0]=4 4417 B13R1.555 CCCCCSc1cccnc1N 62a_100000045569_100000210326 [0,1,1,0,0,0|2,0,0]=4 4418 B13R1.555 CCCCCSc1cccnc1N 62a_100000210326_100000045569 [0,1,1,0,0,0|2,0,0]=4 4419 B13R1.555 CCCCCSc1cccnc1O 62a_100000210326_100000760158 [0,1,1,0,0,0|2,0,0]=4 4420 B13R1.555 CCCCCSc1cccnc1O 62a_100000760158_100000210326 [0,1,1,0,0,0|2,0,0]=4 4421 B13R1.555 CCCCCSc1cnccc1Br 62a_100000210326_100010138639 [0,1,1,0,0,0|2,0,0]=4 4422 B13R1.555 CCCCCSc1cnccc1Br 62a_100010138639_100000210326 [0,1,1,0,0,0|2,0,0]=4 4423 B13R1.555 CCCCCSc1cnccc1C 62a_100000210326_100000761580 [0,1,1,0,0,0|2,0,0]=4 4424 B13R1.555 CCCCCSc1cnccc1C 62a_100000761580_100000210326 [0,1,1,0,0,0|2,0,0]=4 4425 B13R1.555 CCCCCSc1cnccc1Cl 62a_100000210326_100009995489 [0,1,1,0,0,0|2,0,0]=4 4426 B13R1.555 CCCCCSc1cnccc1Cl 62a_100009995489_100000210326 [0,1,1,0,0,0|2,0,0]=4 4427 B13R1.555 CCCCCSc1cnccc1F 62a_100000210326_100009820683 [0,1,1,0,0,0|2,0,0]=4 4428 B13R1.555 CCCCCSc1cnccc1F 62a_100009820683_100000210326 [0,1,1,0,0,0|2,0,0]=4 4429 B13R1.555 CCCCCSc1cnccc1N 62a_100000047001_100000210326 [0,1,1,0,0,0|2,0,0]=4 4430 B13R1.555 CCCCCSc1cnccc1N 62a_100000210326_100000047001 [0,1,1,0,0,0|2,0,0]=4 4431 B13R1.555 CCCCNCc1ccccc1Br 207a_100000102301_100000211189 [0,1,1,0,0,0|1,0,0]=3 4432 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000102301_100000184730 [0,1,1,0,0,0|1,0,0]=3 4433 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000689332_100000210211 [0,1,1,0,0,0|1,0,0]=3 4434 B13R1.555 CCCCNCc1ccccc1Br 270004a_100000102301_100000211189 [0,1,1,0,0,0|1,0,0]=3 4435 B13R1.555 CCCCNCc1ccccc1Br 34a_100000689332_100000210210 [0,1,1,0,0,0|1,0,0]=3 4436 B13R1.555 CCCCNCc1ccccc1Br 7a_106832991798_100000184730 [0,1,1,0,0,0|1,0,0]=3 4437 B13R1.555 CCCCNCc1ccccc1C 207a_100000102301_100000211143 [0,1,1,0,0,0|1,0,0]=3 4438 B13R1.555 CCCCNCc1ccccc1C 2230a_100000102301_100000211839 [0,1,1,0,0,0|1,0,0]=3 4439 B13R1.555 CCCCNCc1ccccc1C 270004a_100000102301_100000211143 [0,1,1,0,0,0|1,0,0]=3 4440 B13R1.555 CCCCNCc1ccccc1C 34a_100000174972_100000210210 [0,1,1,0,0,0|1,0,0]=3 4441 B13R1.555 CCCCNCc1ccccc1C 7a_106832991798_100000211839 [0,1,1,0,0,0|1,0,0]=3 4442 B13R1.555 CCCCNCc1ccccc1Cl 207a_100000102301_100000210073 [0,1,1,0,0,0|1,0,0]=3 4443 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000102301_100000187162 [0,1,1,0,0,0|1,0,0]=3 4444 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000174879_100000210211 [0,1,1,0,0,0|1,0,0]=3 4445 B13R1.555 CCCCNCc1ccccc1Cl 270004a_100000102301_100000210073 [0,1,1,0,0,0|1,0,0]=3 4446 B13R1.555 CCCCNCc1ccccc1Cl 34a_100000174879_100000210210 [0,1,1,0,0,0|1,0,0]=3 4447 B13R1.555 CCCCNCc1ccccc1Cl 7a_106832991798_100000187162 [0,1,1,0,0,0|1,0,0]=3 4448 B13R1.555 CCCCNCc1ccccc1F 207a_100000102301_100000210811 [0,1,1,0,0,0|1,0,0]=3 4449 B13R1.555 CCCCNCc1ccccc1F 2230a_100000102301_100000211605 [0,1,1,0,0,0|1,0,0]=3 4450 B13R1.555 CCCCNCc1ccccc1F 270004a_100000102301_100000210811 [0,1,1,0,0,0|1,0,0]=3 4451 B13R1.555 CCCCNCc1ccccc1F 34a_100000174869_100000210210 [0,1,1,0,0,0|1,0,0]=3 4452 B13R1.555 CCCCNCc1ccccc1F 7a_106832991798_100000211605 [0,1,1,0,0,0|1,0,0]=3 4453 B13R1.555 CCCCNCc1ccccc1I 207a_100000102301_100000010305 [0,1,1,0,0,0|1,0,0]=3 4454 B13R1.555 CCCCNCc1ccccc1I 2230a_100000102301_100011215278 [0,1,1,0,0,0|1,0,0]=3 4455 B13R1.555 CCCCNCc1ccccc1I 270004a_100000102301_100000010305 [0,1,1,0,0,0|1,0,0]=3 4456 B13R1.555 CCCCNCc1ccccc1I 7a_106832991798_100011215278 [0,1,1,0,0,0|1,0,0]=3 4457 B13R1.555 CCCCNCc1ccccc1O 34a_100000185550_100000210210 [0,1,1,0,0,0|1,0,0]=3 4458 B13R1.555 CCCCNCc1cccnc1Br 2230a_100000102301_100010140945 [0,1,1,0,0,0|0,0,0]=2 4459 B13R1.555 CCCCNCc1cccnc1Br 2230a_100009818023_100000210211 [0,1,1,0,0,0|0,0,0]=2 4460 B13R1.555 CCCCNCc1cccnc1Br 34a_100009818023_100000210210 [0,1,1,0,0,0|0,0,0]=2 4461 B13R1.555 CCCCNCc1cccnc1Br 7a_106832991798_100010140945 [0,1,1,0,0,0|0,0,0]=2 4462 B13R1.555 CCCCNCc1cccnc1C 207a_100000102301_100000751968 [0,1,1,0,0,0|0,0,0]=2 4463 B13R1.555 CCCCNCc1cccnc1C 2230a_100000102301_100000732876 [0,1,1,0,0,0|0,0,0]=2 4464 B13R1.555 CCCCNCc1cccnc1C 270004a_100000102301_100000751968 [0,1,1,0,0,0|0,0,0]=2 4465 B13R1.555 CCCCNCc1cccnc1C 7a_106832991798_100000732876 [0,1,1,0,0,0|0,0,0]=2 4466 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100000102301_100000045678 [0,1,1,0,0,0|0,0,0]=2 4467 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100015189234_100000210211 [0,1,1,0,0,0|0,0,0]=2 4468 B13R1.555 CCCCNCc1cccnc1Cl 34a_100015189234_100000210210 [0,1,1,0,0,0|0,0,0]=2 4469 B13R1.555 CCCCNCc1cccnc1Cl 7a_106832991798_100000045678 [0,1,1,0,0,0|0,0,0]=2 4470 B13R1.555 CCCCNCc1cccnc1F 2230a_100000102301_100000099810 [0,1,1,0,0,0|0,0,0]=2 4471 B13R1.555 CCCCNCc1cccnc1F 34a_100000724633_100000210210 [0,1,1,0,0,0|0,0,0]=2 4472 B13R1.555 CCCCNCc1cccnc1F 7a_106832991798_100000099810 [0,1,1,0,0,0|0,0,0]=2 4473 B13R1.555 CCCCNCc1cccnc1O 207a_100000102301_100011998315 [0,1,1,0,0,0|0,0,0]=2 4474 B13R1.555 CCCCNCc1cccnc1O 270004a_100000102301_100011998315 [0,1,1,0,0,0|0,0,0]=2 4475 B13R1.555 CCCCNCc1ccncc1Br 270004a_100000102301_100000755692 [0,1,1,0,0,0|2,0,0]=4 4476 B13R1.555 CCCCNCc1ccncc1C 2230a_100000102301_100020672808 [0,1,1,0,0,0|2,0,0]=4 4477 B13R1.555 CCCCNCc1ccncc1C 7a_106832991798_100020672808 [0,1,1,0,0,0|2,0,0]=4 4478 B13R1.555 CCCCNCc1ccncc1Cl 207a_100000102301_100011934409 [0,1,1,0,0,0|2,0,0]=4 4479 B13R1.555 CCCCNCc1ccncc1Cl 2230a_100000102301_100000763264 [0,1,1,0,0,0|2,0,0]=4 4480 B13R1.555 CCCCNCc1ccncc1Cl 270004a_100000102301_100011934409 [0,1,1,0,0,0|2,0,0]=4 4481 B13R1.555 CCCCNCc1ccncc1Cl 7a_106832991798_100000763264 [0,1,1,0,0,0|2,0,0]=4 4482 B13R1.555 CCCCNCc1ccncc1F 34a_100011935246_100000210210 [0,1,1,0,0,0|2,0,0]=4 4483 B13R1.555 CCCCNCc1cnccc1Br 270004a_100000102301_100009816821 [0,1,1,0,0,0|0,0,0]=2 4484 B13R1.555 CCCCNCc1cnccc1C 207a_100000102301_100000685662 [0,1,1,0,0,0|0,0,0]=2 4485 B13R1.555 CCCCNCc1cnccc1C 2230a_100000102301_100000690890 [0,1,1,0,0,0|0,0,0]=2 4486 B13R1.555 CCCCNCc1cnccc1C 270004a_100000102301_100000685662 [0,1,1,0,0,0|0,0,0]=2 4487 B13R1.555 CCCCNCc1cnccc1C 7a_106832991798_100000690890 [0,1,1,0,0,0|0,0,0]=2 4488 B13R1.555 CCCCNCc1cnccc1Cl 270004a_100000102301_100000050567 [0,1,1,0,0,0|0,0,0]=2 4489 B13R1.555 CCCCNCc1ncccc1Br 207a_100000102301_100011934733 [0,1,1,0,0,0|2,0,0]=4 4490 B13R1.555 CCCCNCc1ncccc1Br 2230a_100000102301_100025702911 [0,1,1,0,0,0|2,0,0]=4 4491 B13R1.555 CCCCNCc1ncccc1Br 270004a_100000102301_100011934733 [0,1,1,0,0,0|2,0,0]=4 4492 B13R1.555 CCCCNCc1ncccc1Br 7a_106832991798_100025702911 [0,1,1,0,0,0|2,0,0]=4 4493 B13R1.555 CCCCNCc1ncccc1C 207a_100000102301_100000698913 [0,1,1,0,0,0|2,0,0]=4 4494 B13R1.555 CCCCNCc1ncccc1C 2230a_100000102301_100000696600 [0,1,1,0,0,0|2,0,0]=4 4495 B13R1.555 CCCCNCc1ncccc1C 270004a_100000102301_100000698913 [0,1,1,0,0,0|2,0,0]=4 4496 B13R1.555 CCCCNCc1ncccc1C 34a_100011223789_100000210210 [0,1,1,0,0,0|2,0,0]=4 4497 B13R1.555 CCCCNCc1ncccc1C 7a_106832991798_100000696600 [0,1,1,0,0,0|2,0,0]=4 4498 B13R1.555 CCCCNCc1ncccc1Cl 207a_100000102301_100012001307 [0,1,1,0,0,0|2,0,0]=4 4499 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100000102301_100000099807 [0,1,1,0,0,0|2,0,0]=4 4500 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100015189233_100000210211 [0,1,1,0,0,0|2,0,0]=4 4501 B13R1.555 CCCCNCc1ncccc1Cl 270004a_100000102301_100012001307 [0,1,1,0,0,0|2,0,0]=4 4502 B13R1.555 CCCCNCc1ncccc1Cl 7a_106832991798_100000099807 [0,1,1,0,0,0|2,0,0]=4 4503 B13R1.555 CCCCNCc1ncccc1F 207a_100000102301_100011934734 [0,1,1,0,0,0|2,0,0]=4 4504 B13R1.555 CCCCNCc1ncccc1F 2230a_100000102301_100000104219 [0,1,1,0,0,0|2,0,0]=4 4505 B13R1.555 CCCCNCc1ncccc1F 270004a_100000102301_100011934734 [0,1,1,0,0,0|2,0,0]=4 4506 B13R1.555 CCCCNCc1ncccc1F 34a_100000690088_100000210210 [0,1,1,0,0,0|2,0,0]=4 4507 B13R1.555 CCCCNCc1ncccc1F 7a_106832991798_100000104219 [0,1,1,0,0,0|2,0,0]=4 4508 B13R1.555 CCCCNCc1ncccc1O 7a_106832991798_200020655725 [0,1,1,0,0,0|2,0,0]=4 4509 B13R1.555 CCCCNCc1nccnc1C 2230a_100020641712_100000210211 [0,1,1,0,0,0|1,0,0]=3 4510 B13R1.555 CCCCNCc1nccnc1C 270004a_100000102301_100000050726 [0,1,1,0,0,0|1,0,0]=3 4511 B13R1.555 CCCCNCc1nccnc1C 34a_100020641712_100000210210 [0,1,1,0,0,0|1,0,0]=3 4512 B13R1.555 CCCCNCc1nccnc1Cl 2230a_100000729963_100000210211 [0,1,1,0,0,0|1,0,0]=3 4513 B13R1.555 CCCCOCc1ccccc1Br 34a_100000210227_100000184730 [0,1,1,0,0,0|2,0,0]=4 4514 B13R1.555 CCCCOCc1ccccc1Br 34a_100000756307_100000210210 [0,1,1,0,0,0|2,0,0]=4 4515 B13R1.555 CCCCOCc1ccccc1Br 7a_100000210227_100000184730 [0,1,1,0,0,0|2,0,0]=4 4516 B13R1.555 CCCCOCc1ccccc1Br 7a_100000756307_100000210211 [0,1,1,0,0,0|2,0,0]=4 4517 B13R1.555 CCCCOCc1ccccc1C 34a_100000210227_100000211839 [0,1,1,0,0,0|2,0,0]=4 4518 B13R1.555 CCCCOCc1ccccc1C 34a_100000698903_100000210210 [0,1,1,0,0,0|2,0,0]=4 4519 B13R1.555 CCCCOCc1ccccc1C 7a_100000210227_100000211839 [0,1,1,0,0,0|2,0,0]=4 4520 B13R1.555 CCCCOCc1ccccc1C 7a_100000698903_100000210211 [0,1,1,0,0,0|2,0,0]=4 4521 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210227_100000187162 [0,1,1,0,0,0|2,0,0]=4 4522 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210847_100000210210 [0,1,1,0,0,0|2,0,0]=4 4523 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210227_100000187162 [0,1,1,0,0,0|2,0,0]=4 4524 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210847_100000210211 [0,1,1,0,0,0|2,0,0]=4 4525 B13R1.555 CCCCOCc1ccccc1F 34a_100000210227_100000211605 [0,1,1,0,0,0|2,0,0]=4 4526 B13R1.555 CCCCOCc1ccccc1F 34a_100000211962_100000210210 [0,1,1,0,0,0|2,0,0]=4 4527 B13R1.555 CCCCOCc1ccccc1F 7a_100000210227_100000211605 [0,1,1,0,0,0|2,0,0]=4 4528 B13R1.555 CCCCOCc1ccccc1F 7a_100000211962_100000210211 [0,1,1,0,0,0|2,0,0]=4 4529 B13R1.555 CCCCOCc1ccccc1I 34a_100000187465_100000210210 [0,1,1,0,0,0|2,0,0]=4 4530 B13R1.555 CCCCOCc1ccccc1I 34a_100000210227_100011215278 [0,1,1,0,0,0|2,0,0]=4 4531 B13R1.555 CCCCOCc1ccccc1I 7a_100000187465_100000210211 [0,1,1,0,0,0|2,0,0]=4 4532 B13R1.555 CCCCOCc1ccccc1I 7a_100000210227_100011215278 [0,1,1,0,0,0|2,0,0]=4 4533 B13R1.555 CCCCOCc1ccccc1N 34a_100000212039_100000210210 [0,1,1,0,0,0|2,0,0]=4 4534 B13R1.555 CCCCOCc1cccnc1Br 34a_100000210227_100010140945 [0,1,1,0,0,0|1,0,0]=3 4535 B13R1.555 CCCCOCc1cccnc1Br 34a_100000719692_100000210210 [0,1,1,0,0,0|1,0,0]=3 4536 B13R1.555 CCCCOCc1cccnc1Br 7a_100000210227_100010140945 [0,1,1,0,0,0|1,0,0]=3 4537 B13R1.555 CCCCOCc1cccnc1Br 7a_100000719692_100000210211 [0,1,1,0,0,0|1,0,0]=3 4538 B13R1.555 CCCCOCc1cccnc1C 34a_100000210227_100000732876 [0,1,1,0,0,0|1,0,0]=3 4539 B13R1.555 CCCCOCc1cccnc1C 34a_100000729262_100000210210 [0,1,1,0,0,0|1,0,0]=3 4540 B13R1.555 CCCCOCc1cccnc1C 7a_100000210227_100000732876 [0,1,1,0,0,0|1,0,0]=3 4541 B13R1.555 CCCCOCc1cccnc1C 7a_100000729262_100000210211 [0,1,1,0,0,0|1,0,0]=3 4542 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000210227_100000045678 [0,1,1,0,0,0|1,0,0]=3 4543 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000748726_100000210210 [0,1,1,0,0,0|1,0,0]=3 4544 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000210227_100000045678 [0,1,1,0,0,0|1,0,0]=3 4545 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000748726_100000210211 [0,1,1,0,0,0|1,0,0]=3 4546 B13R1.555 CCCCOCc1cccnc1F 34a_100000079888_100000210210 [0,1,1,0,0,0|1,0,0]=3 4547 B13R1.555 CCCCOCc1cccnc1F 34a_100000210227_100000099810 [0,1,1,0,0,0|1,0,0]=3 4548 B13R1.555 CCCCOCc1cccnc1F 7a_100000079888_100000210211 [0,1,1,0,0,0|1,0,0]=3 4549 B13R1.555 CCCCOCc1cccnc1F 7a_100000210227_100000099810 [0,1,1,0,0,0|1,0,0]=3 4550 B13R1.555 CCCCOCc1cnccc1C 34a_100000210227_100000690890 [0,1,1,0,0,0|1,0,0]=3 4551 B13R1.555 CCCCOCc1cnccc1C 34a_100011996381_100000210210 [0,1,1,0,0,0|1,0,0]=3 4552 B13R1.555 CCCCOCc1cnccc1C 7a_100000210227_100000690890 [0,1,1,0,0,0|1,0,0]=3 4553 B13R1.555 CCCCOCc1cnccc1Cl 34a_100000117392_100000210210 [0,1,1,0,0,0|1,0,0]=3 4554 B13R1.555 CCCCOCc1nccnc1Cl 34a_100000057004_100000210210 [0,1,1,0,0,0|2,0,0]=4 4555 B13R1.555 CCCCSCc1ccccc1Br 62a_100000184730_100000210210 [0,1,1,0,0,0|2,0,0]=4 4556 B13R1.555 CCCCSCc1ccccc1Br 62a_100000210211_100000184730 [0,1,1,0,0,0|2,0,0]=4 4557 B13R1.555 CCCCSCc1ccccc1C 62a_100000210211_100000211839 [0,1,1,0,0,0|2,0,0]=4 4558 B13R1.555 CCCCSCc1ccccc1C 62a_100000211839_100000210210 [0,1,1,0,0,0|2,0,0]=4 4559 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000187162_100000210210 [0,1,1,0,0,0|2,0,0]=4 4560 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000210211_100000187162 [0,1,1,0,0,0|2,0,0]=4 4561 B13R1.555 CCCCSCc1ccccc1F 62a_100000210211_100000211605 [0,1,1,0,0,0|2,0,0]=4 4562 B13R1.555 CCCCSCc1ccccc1F 62a_100000211605_100000210210 [0,1,1,0,0,0|2,0,0]=4 4563 B13R1.555 CCCCSCc1ccccc1I 62a_100000210211_100011216222 [0,1,1,0,0,0|2,0,0]=4 4564 B13R1.555 CCCCSCc1ccccc1I 62a_100011216222_100000210210 [0,1,1,0,0,0|2,0,0]=4 4565 B13R1.555 CCCCSCc1ccccc1O 271570a_203496583355_200011870348 [0,1,1,0,0,0|2,0,0]=4 4566 B13R1.555 CCCCSCc1cccnc1Br 62a_100000210211_100010140945 [0,1,1,0,0,0|1,0,0]=3 4567 B13R1.555 CCCCSCc1cccnc1Br 62a_100010140945_100000210210 [0,1,1,0,0,0|1,0,0]=3 4568 B13R1.555 CCCCSCc1cccnc1C 62a_100000210211_100000732876 [0,1,1,0,0,0|1,0,0]=3 4569 B13R1.555 CCCCSCc1cccnc1C 62a_100000732876_100000210210 [0,1,1,0,0,0|1,0,0]=3 4570 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000045678_100000210210 [0,1,1,0,0,0|1,0,0]=3 4571 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000210211_100000045678 [0,1,1,0,0,0|1,0,0]=3 4572 B13R1.555 CCCCSCc1cccnc1F 62a_100000099810_100000210210 [0,1,1,0,0,0|1,0,0]=3 4573 B13R1.555 CCCCSCc1cccnc1F 62a_100000210211_100000099810 [0,1,1,0,0,0|1,0,0]=3 4574 B13R1.555 CCCCSCc1cnccc1C 62a_100000210211_100000690890 [0,1,1,0,0,0|1,0,0]=3 4575 B13R1.555 CCCCSCc1cnccc1C 62a_100000690890_100000210210 [0,1,1,0,0,0|1,0,0]=3 4576 B13R1.555 CCOCSCc1cccnc1Br 62a_100000739092_100010140945 [0,1,1,0,0,0|2,0,0]=4 4577 B13R1.555 CCOCSCc1cccnc1Br 62a_100010140945_100000739092 [0,1,1,0,0,0|2,0,0]=4 4578 B13R1.555 CCOCSCc1cccnc1C 62a_100000732876_100000739092 [0,1,1,0,0,0|2,0,0]=4 4579 B13R1.555 CCOCSCc1cccnc1C 62a_100000739092_100000732876 [0,1,1,0,0,0|2,0,0]=4 4580 B13R1.555 CCOCSCc1cccnc1Cl 62a_100000045678_100000739092 [0,1,1,0,0,0|2,0,0]=4 4581 B13R1.555 CCOCSCc1cccnc1Cl 62a_100000739092_100000045678 [0,1,1,0,0,0|2,0,0]=4 4582 B13R1.555 CCOCSCc1cccnc1F 62a_100000099810_100000739092 [0,1,1,0,0,0|2,0,0]=4 4583 B13R1.555 CCOCSCc1cccnc1F 62a_100000739092_100000099810 [0,1,1,0,0,0|2,0,0]=4 4584 B13R1.555 CCOCSCc1cnccc1C 62a_100000690890_100000739092 [0,1,1,0,0,0|2,0,0]=4 4585 B13R1.555 CCOCSCc1cnccc1C 62a_100000739092_100000690890 [0,1,1,0,0,0|2,0,0]=4 4586 B13R1.555 COCCNCc1ccccc1Br 207a_100000209980_100000211189 [0,1,1,0,0,0|2,0,0]=4 4587 B13R1.555 COCCNCc1ccccc1Br 2230a_100000209980_100000184730 [0,1,1,0,0,0|2,0,0]=4 4588 B13R1.555 COCCNCc1ccccc1Br 2230a_100000689332_100011201679 [0,1,1,0,0,0|2,0,0]=4 4589 B13R1.555 COCCNCc1ccccc1Br 270004a_100000209980_100000211189 [0,1,1,0,0,0|2,0,0]=4 4590 B13R1.555 COCCNCc1ccccc1Br 34a_100000689332_100011201679 [0,1,1,0,0,0|2,0,0]=4 4591 B13R1.555 COCCNCc1ccccc1Br 34a_106744479749_200000210301 [0,1,1,0,0,0|2,0,0]=4 4592 B13R1.555 COCCNCc1ccccc1C 207a_100000209980_100000211143 [0,1,1,0,0,0|2,0,0]=4 4593 B13R1.555 COCCNCc1ccccc1C 2230a_100000209980_100000211839 [0,1,1,0,0,0|2,0,0]=4 4594 B13R1.555 COCCNCc1ccccc1C 270004a_100000209980_100000211143 [0,1,1,0,0,0|2,0,0]=4 4595 B13R1.555 COCCNCc1ccccc1C 34a_100000174972_100011201679 [0,1,1,0,0,0|2,0,0]=4 4596 B13R1.555 COCCNCc1ccccc1Cl 207a_100000209980_100000210073 [0,1,1,0,0,0|2,0,0]=4 4597 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000174879_100011201679 [0,1,1,0,0,0|2,0,0]=4 4598 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000209980_100000187162 [0,1,1,0,0,0|2,0,0]=4 4599 B13R1.555 COCCNCc1ccccc1Cl 270004a_100000209980_100000210073 [0,1,1,0,0,0|2,0,0]=4 4600 B13R1.555 COCCNCc1ccccc1Cl 34a_100000174879_100011201679 [0,1,1,0,0,0|2,0,0]=4 4601 B13R1.555 COCCNCc1ccccc1Cl 34a_100015187164_200000210301 [0,1,1,0,0,0|2,0,0]=4 4602 B13R1.555 COCCNCc1ccccc1F 207a_100000209980_100000210811 [0,1,1,0,0,0|2,0,0]=4 4603 B13R1.555 COCCNCc1ccccc1F 2230a_100000209980_100000211605 [0,1,1,0,0,0|2,0,0]=4 4604 B13R1.555 COCCNCc1ccccc1F 270004a_100000209980_100000210811 [0,1,1,0,0,0|2,0,0]=4 4605 B13R1.555 COCCNCc1ccccc1F 34a_100000174869_100011201679 [0,1,1,0,0,0|2,0,0]=4 4606 B13R1.555 COCCNCc1ccccc1I 207a_100000209980_100000010305 [0,1,1,0,0,0|2,0,0]=4 4607 B13R1.555 COCCNCc1ccccc1I 2230a_100000209980_100011215278 [0,1,1,0,0,0|2,0,0]=4 4608 B13R1.555 COCCNCc1ccccc1I 270004a_100000209980_100000010305 [0,1,1,0,0,0|2,0,0]=4 4609 B13R1.555 COCCNCc1ccccc1O 34a_100000185550_100011201679 [0,1,1,0,0,0|2,0,0]=4 4610 B13R1.555 COCCNCc1cccnc1Br 2230a_100000209980_100010140945 [0,1,1,0,0,0|1,0,0]=3 4611 B13R1.555 COCCNCc1cccnc1Br 2230a_100009818023_100011201679 [0,1,1,0,0,0|1,0,0]=3 4612 B13R1.555 COCCNCc1cccnc1Br 34a_100009818023_100011201679 [0,1,1,0,0,0|1,0,0]=3 4613 B13R1.555 COCCNCc1cccnc1C 207a_100000209980_100000751968 [0,1,1,0,0,0|1,0,0]=3 4614 B13R1.555 COCCNCc1cccnc1C 2230a_100000209980_100000732876 [0,1,1,0,0,0|1,0,0]=3 4615 B13R1.555 COCCNCc1cccnc1C 270004a_100000209980_100000751968 [0,1,1,0,0,0|1,0,0]=3 4616 B13R1.555 COCCNCc1cccnc1Cl 2230a_100000209980_100000045678 [0,1,1,0,0,0|1,0,0]=3 4617 B13R1.555 COCCNCc1cccnc1Cl 2230a_100015189234_100011201679 [0,1,1,0,0,0|1,0,0]=3 4618 B13R1.555 COCCNCc1cccnc1Cl 34a_100015189234_100011201679 [0,1,1,0,0,0|1,0,0]=3 4619 B13R1.555 COCCNCc1cccnc1F 2230a_100000209980_100000099810 [0,1,1,0,0,0|1,0,0]=3 4620 B13R1.555 COCCNCc1cccnc1F 34a_100000724633_100011201679 [0,1,1,0,0,0|1,0,0]=3 4621 B13R1.555 COCCNCc1cccnc1O 207a_100000209980_100011998315 [0,1,1,0,0,0|1,0,0]=3 4622 B13R1.555 COCCNCc1cccnc1O 270004a_100000209980_100011998315 [0,1,1,0,0,0|1,0,0]=3 4623 B13R1.555 COCCNCc1cnccc1Br 270004a_100000209980_100009816821 [0,1,1,0,0,0|1,0,0]=3 4624 B13R1.555 COCCNCc1cnccc1C 207a_100000209980_100000685662 [0,1,1,0,0,0|1,0,0]=3 4625 B13R1.555 COCCNCc1cnccc1C 2230a_100000209980_100000690890 [0,1,1,0,0,0|1,0,0]=3 4626 B13R1.555 COCCNCc1cnccc1C 270004a_100000209980_100000685662 [0,1,1,0,0,0|1,0,0]=3 4627 B13R1.555 COCCNCc1cnccc1Cl 270004a_100000209980_100000050567 [0,1,1,0,0,0|1,0,0]=3 4628 B13R1.555 COCCNCc1nccnc1C 2230a_100020641712_100011201679 [0,1,1,0,0,0|2,0,0]=4 4629 B13R1.555 COCCNCc1nccnc1C 270004a_100000209980_100000050726 [0,1,1,0,0,0|2,0,0]=4 4630 B13R1.555 COCCNCc1nccnc1C 34a_100020641712_100011201679 [0,1,1,0,0,0|2,0,0]=4 4631 B13R1.555 COCCNCc1nccnc1Cl 2230a_100000729963_100011201679 [0,1,1,0,0,0|2,0,0]=4 4632 B13R1.555 COCCOCc1cccnc1Br 34a_100000210237_100010140945 [0,1,1,0,0,0|2,0,0]=4 4633 B13R1.555 COCCOCc1cccnc1Br 34a_100000719692_100011201679 [0,1,1,0,0,0|2,0,0]=4 4634 B13R1.555 COCCOCc1cccnc1Br 7a_100000719692_100000233755 [0,1,1,0,0,0|2,0,0]=4 4635 B13R1.555 COCCOCc1cccnc1C 34a_100000210237_100000732876 [0,1,1,0,0,0|2,0,0]=4 4636 B13R1.555 COCCOCc1cccnc1C 34a_100000729262_100011201679 [0,1,1,0,0,0|2,0,0]=4 4637 B13R1.555 COCCOCc1cccnc1C 7a_100000729262_100000233755 [0,1,1,0,0,0|2,0,0]=4 4638 B13R1.555 COCCOCc1cccnc1Cl 34a_100000210237_100000045678 [0,1,1,0,0,0|2,0,0]=4 4639 B13R1.555 COCCOCc1cccnc1Cl 34a_100000748726_100011201679 [0,1,1,0,0,0|2,0,0]=4 4640 B13R1.555 COCCOCc1cccnc1Cl 7a_100000748726_100000233755 [0,1,1,0,0,0|2,0,0]=4 4641 B13R1.555 COCCOCc1cccnc1F 34a_100000079888_100011201679 [0,1,1,0,0,0|2,0,0]=4 4642 B13R1.555 COCCOCc1cccnc1F 34a_100000210237_100000099810 [0,1,1,0,0,0|2,0,0]=4 4643 B13R1.555 COCCOCc1cccnc1F 7a_100000079888_100000233755 [0,1,1,0,0,0|2,0,0]=4 4644 B13R1.555 COCCOCc1cnccc1C 34a_100000210237_100000690890 [0,1,1,0,0,0|2,0,0]=4 4645 B13R1.555 COCCOCc1cnccc1C 34a_100011996381_100011201679 [0,1,1,0,0,0|2,0,0]=4 4646 B13R1.555 COCCOCc1cnccc1Cl 34a_100000117392_100011201679 [0,1,1,0,0,0|2,0,0]=4 4647 B13R1.555 COCCSCc1cccnc1Br 62a_100000233755_100010140945 [0,1,1,0,0,0|2,0,0]=4 4648 B13R1.555 COCCSCc1cccnc1Br 62a_100010140945_100000233755 [0,1,1,0,0,0|2,0,0]=4 4649 B13R1.555 COCCSCc1cccnc1C 62a_100000233755_100000732876 [0,1,1,0,0,0|2,0,0]=4 4650 B13R1.555 COCCSCc1cccnc1C 62a_100000732876_100000233755 [0,1,1,0,0,0|2,0,0]=4 4651 B13R1.555 COCCSCc1cccnc1Cl 62a_100000045678_100000233755 [0,1,1,0,0,0|2,0,0]=4 4652 B13R1.555 COCCSCc1cccnc1Cl 62a_100000233755_100000045678 [0,1,1,0,0,0|2,0,0]=4 4653 B13R1.555 COCCSCc1cccnc1F 62a_100000099810_100000233755 [0,1,1,0,0,0|2,0,0]=4 4654 B13R1.555 COCCSCc1cccnc1F 62a_100000233755_100000099810 [0,1,1,0,0,0|2,0,0]=4 4655 B13R1.555 COCCSCc1cnccc1C 62a_100000233755_100000690890 [0,1,1,0,0,0|2,0,0]=4 4656 B13R1.555 COCCSCc1cnccc1C 62a_100000690890_100000233755 [0,1,1,0,0,0|2,0,0]=4 4657 B13R1.555 CSCCNCc1ccccc1Br 207a_100020590264_100000211189 [0,1,1,0,0,0|2,0,0]=4 4658 B13R1.555 CSCCNCc1ccccc1Br 2230a_100000689332_100000751147 [0,1,1,0,0,0|2,0,0]=4 4659 B13R1.555 CSCCNCc1ccccc1Br 2230a_100020590264_100000184730 [0,1,1,0,0,0|2,0,0]=4 4660 B13R1.555 CSCCNCc1ccccc1Br 270004a_100020590264_100000211189 [0,1,1,0,0,0|2,0,0]=4 4661 B13R1.555 CSCCNCc1ccccc1Br 34a_100000689332_100000212216 [0,1,1,0,0,0|2,0,0]=4 4662 B13R1.555 CSCCNCc1ccccc1C 207a_100020590264_100000211143 [0,1,1,0,0,0|2,0,0]=4 4663 B13R1.555 CSCCNCc1ccccc1C 2230a_100020590264_100000211839 [0,1,1,0,0,0|2,0,0]=4 4664 B13R1.555 CSCCNCc1ccccc1C 270004a_100020590264_100000211143 [0,1,1,0,0,0|2,0,0]=4 4665 B13R1.555 CSCCNCc1ccccc1C 34a_100000174972_100000212216 [0,1,1,0,0,0|2,0,0]=4 4666 B13R1.555 CSCCNCc1ccccc1Cl 207a_100020590264_100000210073 [0,1,1,0,0,0|2,0,0]=4 4667 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100000174879_100000751147 [0,1,1,0,0,0|2,0,0]=4 4668 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100020590264_100000187162 [0,1,1,0,0,0|2,0,0]=4 4669 B13R1.555 CSCCNCc1ccccc1Cl 270004a_100020590264_100000210073 [0,1,1,0,0,0|2,0,0]=4 4670 B13R1.555 CSCCNCc1ccccc1Cl 34a_100000174879_100000212216 [0,1,1,0,0,0|2,0,0]=4 4671 B13R1.555 CSCCNCc1ccccc1F 207a_100020590264_100000210811 [0,1,1,0,0,0|2,0,0]=4 4672 B13R1.555 CSCCNCc1ccccc1F 2230a_100020590264_100000211605 [0,1,1,0,0,0|2,0,0]=4 4673 B13R1.555 CSCCNCc1ccccc1F 270004a_100020590264_100000210811 [0,1,1,0,0,0|2,0,0]=4 4674 B13R1.555 CSCCNCc1ccccc1F 34a_100000174869_100000212216 [0,1,1,0,0,0|2,0,0]=4 4675 B13R1.555 CSCCNCc1ccccc1I 207a_100020590264_100000010305 [0,1,1,0,0,0|2,0,0]=4 4676 B13R1.555 CSCCNCc1ccccc1I 2230a_100020590264_100011215278 [0,1,1,0,0,0|2,0,0]=4 4677 B13R1.555 CSCCNCc1ccccc1I 270004a_100020590264_100000010305 [0,1,1,0,0,0|2,0,0]=4 4678 B13R1.555 CSCCNCc1ccccc1O 34a_100000185550_100000212216 [0,1,1,0,0,0|2,0,0]=4 4679 B13R1.555 CSCCNCc1cccnc1Br 2230a_100009818023_100000751147 [0,1,1,0,0,0|1,0,0]=3 4680 B13R1.555 CSCCNCc1cccnc1Br 2230a_100020590264_100010140945 [0,1,1,0,0,0|1,0,0]=3 4681 B13R1.555 CSCCNCc1cccnc1Br 34a_100009818023_100000212216 [0,1,1,0,0,0|1,0,0]=3 4682 B13R1.555 CSCCNCc1cccnc1C 207a_100020590264_100000751968 [0,1,1,0,0,0|1,0,0]=3 4683 B13R1.555 CSCCNCc1cccnc1C 2230a_100020590264_100000732876 [0,1,1,0,0,0|1,0,0]=3 4684 B13R1.555 CSCCNCc1cccnc1C 270004a_100020590264_100000751968 [0,1,1,0,0,0|1,0,0]=3 4685 B13R1.555 CSCCNCc1cccnc1Cl 2230a_100015189234_100000751147 [0,1,1,0,0,0|1,0,0]=3 4686 B13R1.555 CSCCNCc1cccnc1Cl 2230a_100020590264_100000045678 [0,1,1,0,0,0|1,0,0]=3 4687 B13R1.555 CSCCNCc1cccnc1Cl 34a_100015189234_100000212216 [0,1,1,0,0,0|1,0,0]=3 4688 B13R1.555 CSCCNCc1cccnc1F 2230a_100020590264_100000099810 [0,1,1,0,0,0|1,0,0]=3 4689 B13R1.555 CSCCNCc1cccnc1F 34a_100000724633_100000212216 [0,1,1,0,0,0|1,0,0]=3 4690 B13R1.555 CSCCNCc1cccnc1O 207a_100020590264_100011998315 [0,1,1,0,0,0|1,0,0]=3 4691 B13R1.555 CSCCNCc1cccnc1O 270004a_100020590264_100011998315 [0,1,1,0,0,0|1,0,0]=3 4692 B13R1.555 CSCCNCc1cnccc1Br 270004a_100020590264_100009816821 [0,1,1,0,0,0|1,0,0]=3 4693 B13R1.555 CSCCNCc1cnccc1C 207a_100020590264_100000685662 [0,1,1,0,0,0|1,0,0]=3 4694 B13R1.555 CSCCNCc1cnccc1C 2230a_100020590264_100000690890 [0,1,1,0,0,0|1,0,0]=3 4695 B13R1.555 CSCCNCc1cnccc1C 270004a_100020590264_100000685662 [0,1,1,0,0,0|1,0,0]=3 4696 B13R1.555 CSCCNCc1cnccc1Cl 270004a_100020590264_100000050567 [0,1,1,0,0,0|1,0,0]=3 4697 B13R1.555 CSCCNCc1nccnc1C 2230a_100020641712_100000751147 [0,1,1,0,0,0|2,0,0]=4 4698 B13R1.555 CSCCNCc1nccnc1C 270004a_100020590264_100000050726 [0,1,1,0,0,0|2,0,0]=4 4699 B13R1.555 CSCCNCc1nccnc1C 34a_100020641712_100000212216 [0,1,1,0,0,0|2,0,0]=4 4700 B13R1.555 CSCCNCc1nccnc1Cl 2230a_100000729963_100000751147 [0,1,1,0,0,0|2,0,0]=4 4701 B13R1.555 CSCCOCc1cccnc1Br 34a_100000230434_100010140945 [0,1,1,0,0,0|2,0,0]=4 4702 B13R1.555 CSCCOCc1cccnc1Br 34a_100000719692_100000212216 [0,1,1,0,0,0|2,0,0]=4 4703 B13R1.555 CSCCOCc1cccnc1Br 7a_100000230434_100010140945 [0,1,1,0,0,0|2,0,0]=4 4704 B13R1.555 CSCCOCc1cccnc1Br 7a_100000719692_100000212216 [0,1,1,0,0,0|2,0,0]=4 4705 B13R1.555 CSCCOCc1cccnc1C 34a_100000230434_100000732876 [0,1,1,0,0,0|2,0,0]=4 4706 B13R1.555 CSCCOCc1cccnc1C 34a_100000729262_100000212216 [0,1,1,0,0,0|2,0,0]=4 4707 B13R1.555 CSCCOCc1cccnc1C 7a_100000230434_100000732876 [0,1,1,0,0,0|2,0,0]=4 4708 B13R1.555 CSCCOCc1cccnc1C 7a_100000729262_100000212216 [0,1,1,0,0,0|2,0,0]=4 4709 B13R1.555 CSCCOCc1cccnc1Cl 34a_100000230434_100000045678 [0,1,1,0,0,0|2,0,0]=4 4710 B13R1.555 CSCCOCc1cccnc1Cl 34a_100000748726_100000212216 [0,1,1,0,0,0|2,0,0]=4 4711 B13R1.555 CSCCOCc1cccnc1Cl 7a_100000230434_100000045678 [0,1,1,0,0,0|2,0,0]=4 4712 B13R1.555 CSCCOCc1cccnc1Cl 7a_100000748726_100000212216 [0,1,1,0,0,0|2,0,0]=4 4713 B13R1.555 CSCCOCc1cccnc1F 34a_100000079888_100000212216 [0,1,1,0,0,0|2,0,0]=4 4714 B13R1.555 CSCCOCc1cccnc1F 34a_100000230434_100000099810 [0,1,1,0,0,0|2,0,0]=4 4715 B13R1.555 CSCCOCc1cccnc1F 7a_100000079888_100000212216 [0,1,1,0,0,0|2,0,0]=4 4716 B13R1.555 CSCCOCc1cccnc1F 7a_100000230434_100000099810 [0,1,1,0,0,0|2,0,0]=4 4717 B13R1.555 CSCCOCc1cnccc1C 34a_100000230434_100000690890 [0,1,1,0,0,0|2,0,0]=4 4718 B13R1.555 CSCCOCc1cnccc1C 34a_100011996381_100000212216 [0,1,1,0,0,0|2,0,0]=4 4719 B13R1.555 CSCCOCc1cnccc1C 7a_100000230434_100000690890 [0,1,1,0,0,0|2,0,0]=4 4720 B13R1.555 CSCCOCc1cnccc1Cl 34a_100000117392_100000212216 [0,1,1,0,0,0|2,0,0]=4 4721 B13R1.555 CSCCSCc1cccnc1Br 62a_100000212216_100010140945 [0,1,1,0,0,0|2,0,0]=4 4722 B13R1.555 CSCCSCc1cccnc1Br 62a_100010140945_100000751147 [0,1,1,0,0,0|2,0,0]=4 4723 B13R1.555 CSCCSCc1cccnc1C 62a_100000212216_100000732876 [0,1,1,0,0,0|2,0,0]=4 4724 B13R1.555 CSCCSCc1cccnc1C 62a_100000732876_100000751147 [0,1,1,0,0,0|2,0,0]=4 4725 B13R1.555 CSCCSCc1cccnc1Cl 62a_100000045678_100000751147 [0,1,1,0,0,0|2,0,0]=4 4726 B13R1.555 CSCCSCc1cccnc1Cl 62a_100000212216_100000045678 [0,1,1,0,0,0|2,0,0]=4 4727 B13R1.555 CSCCSCc1cccnc1F 62a_100000099810_100000751147 [0,1,1,0,0,0|2,0,0]=4 4728 B13R1.555 CSCCSCc1cccnc1F 62a_100000212216_100000099810 [0,1,1,0,0,0|2,0,0]=4 4729 B13R1.555 CSCCSCc1cnccc1C 62a_100000212216_100000690890 [0,1,1,0,0,0|2,0,0]=4 4730 B13R1.555 CSCCSCc1cnccc1C 62a_100000690890_100000751147 [0,1,1,0,0,0|2,0,0]=4 4731 B13R1.555 Cc1ccccc1CCOCCN 34a_100000210304_100011713688 [0,1,1,0,0,0|2,0,0]=4 4732 B13R1.555 Cc1ccccc1CNCCCF 207a_100015189416_100000211143 [0,1,1,0,0,0|2,0,0]=4 4733 B13R1.555 Cc1ccccc1CNCCCF 2230a_100015189416_100000211839 [0,1,1,0,0,0|2,0,0]=4 4734 B13R1.555 Cc1ccccc1CNCCCF 270004a_100015189416_100000211143 [0,1,1,0,0,0|2,0,0]=4 4735 B13R1.555 Cc1ccccc1CNCCCF 34a_100000174972_100011934791 [0,1,1,0,0,0|2,0,0]=4 4736 B13R1.555 Cc1ccccc1CNCCCF 34a_100015189416_100000211839 [0,1,1,0,0,0|2,0,0]=4 4737 B13R1.555 Cc1ccccc1CNCCCO 207a_100000182051_100000211143 [0,1,1,0,0,0|2,0,0]=4 4738 B13R1.555 Cc1ccccc1CNCCCO 270004a_100000182051_100000211143 [0,1,1,0,0,0|2,0,0]=4 4739 B13R1.555 Cc1ccccc1CNCCCO 34a_100000174972_100000230001 [0,1,1,0,0,0|2,0,0]=4 4740 B13R1.555 Cc1ccccc1COCCCN 34a_100000182051_100000211839 [0,1,1,0,0,0|2,0,0]=4 4741 B13R1.555 Cc1ccncc1CNCCC#N 270004a_100000720768_100000685662 [0,1,1,0,0,0|1,0,1]=4 4742 B13R1.555 Cc1ccncc1CNCCCF 207a_100015189416_100000685662 [0,1,1,0,0,0|1,0,0]=3 4743 B13R1.555 Cc1ccncc1CNCCCF 2230a_100015189416_100000690890 [0,1,1,0,0,0|1,0,0]=3 4744 B13R1.555 Cc1ccncc1CNCCCF 270004a_100015189416_100000685662 [0,1,1,0,0,0|1,0,0]=3 4745 B13R1.555 Cc1ccncc1CNCCCF 34a_100015189416_100000690890 [0,1,1,0,0,0|1,0,0]=3 4746 B13R1.555 Cc1ccncc1CNCCCO 207a_100000182051_100000685662 [0,1,1,0,0,0|1,0,0]=3 4747 B13R1.555 Cc1ccncc1CNCCCO 270004a_100000182051_100000685662 [0,1,1,0,0,0|1,0,0]=3 4748 B13R1.555 Cc1ccncc1COCCCBr 34a_100011217188_100000690890 [0,1,1,0,0,0|2,0,0]=4 4749 B13R1.555 Cc1ccncc1COCCCCl 34a_100000230001_100000690890 [0,1,1,0,0,0|2,0,0]=4 4750 B13R1.555 Cc1ccncc1COCCCF 34a_100000759539_100000690890 [0,1,1,0,0,0|2,0,0]=4 4751 B13R1.555 Cc1ccncc1COCCCF 34a_100011996381_100011934791 [0,1,1,0,0,0|2,0,0]=4 4752 B13R1.555 Cc1ccncc1COCCCN 34a_100000182051_100000690890 [0,1,1,0,0,0|1,0,0]=3 4753 B13R1.555 Cc1ccncc1COCCCO 34a_100011996381_100000230001 [0,1,1,0,0,0|2,0,0]=4 4754 B13R1.555 Cc1ccncc1COCCON 34a_100000700252_100000690890 [0,1,1,0,0,0|2,0,0]=4 4755 B13R1.555 Cc1ccncc1CSCCCF 62a_100000690890_100011934791 [0,1,1,0,0,0|2,0,0]=4 4756 B13R1.555 Cc1ccncc1CSCCCF 62a_100011934791_100000690890 [0,1,1,0,0,0|2,0,0]=4 4757 B13R1.555 Cc1ccncc1CSCCCO 62a_100000690890_100011215043 [0,1,1,0,0,0|2,0,0]=4 4758 B13R1.555 Cc1ccncc1CSCCCO 62a_100011215043_100000690890 [0,1,1,0,0,0|2,0,0]=4 4759 B13R1.555 Cc1ccncc1OCCCCF 34a_100011997053_100000729493 [0,1,1,0,0,0|2,0,0]=4 4760 B13R1.555 Cc1ccncc1OCCCCF 7a_100011997053_100000729493 [0,1,1,0,0,0|2,0,0]=4 4761 B13R1.555 Cc1ccncc1OCCCCO 34a_100011997053_100011216708 [0,1,1,0,0,0|2,0,0]=4 4762 B13R1.555 Cc1ccncc1OCCCCO 7a_100011997053_100000210776 [0,1,1,0,0,0|2,0,0]=4 4763 B13R1.555 Cc1ccncc1SCCCCF 62a_100000729493_100000761580 [0,1,1,0,0,0|2,0,0]=4 4764 B13R1.555 Cc1ccncc1SCCCCF 62a_100000761580_100000729493 [0,1,1,0,0,0|2,0,0]=4 4765 B13R1.555 Cc1ccncc1SCCCCO 62a_100000210776_100000761580 [0,1,1,0,0,0|2,0,0]=4 4766 B13R1.555 Cc1ccncc1SCCCCO 62a_100000761580_100000210776 [0,1,1,0,0,0|2,0,0]=4 4767 B13R1.555 Cc1ncccc1CNCCC#N 270004a_100000720768_100000751968 [0,1,1,0,0,0|1,0,1]=4 4768 B13R1.555 Cc1ncccc1CNCCCF 207a_100015189416_100000751968 [0,1,1,0,0,0|1,0,0]=3 4769 B13R1.555 Cc1ncccc1CNCCCF 2230a_100015189416_100000732876 [0,1,1,0,0,0|1,0,0]=3 4770 B13R1.555 Cc1ncccc1CNCCCF 270004a_100015189416_100000751968 [0,1,1,0,0,0|1,0,0]=3 4771 B13R1.555 Cc1ncccc1CNCCCF 34a_100015189416_100000732876 [0,1,1,0,0,0|1,0,0]=3 4772 B13R1.555 Cc1ncccc1CNCCCO 207a_100000182051_100000751968 [0,1,1,0,0,0|1,0,0]=3 4773 B13R1.555 Cc1ncccc1CNCCCO 270004a_100000182051_100000751968 [0,1,1,0,0,0|1,0,0]=3 4774 B13R1.555 Cc1ncccc1COCCCBr 34a_100011217188_100000732876 [0,1,1,0,0,0|2,0,0]=4 4775 B13R1.555 Cc1ncccc1COCCCCl 34a_100000230001_100000732876 [0,1,1,0,0,0|2,0,0]=4 4776 B13R1.555 Cc1ncccc1COCCCF 34a_100000729262_100011934791 [0,1,1,0,0,0|2,0,0]=4 4777 B13R1.555 Cc1ncccc1COCCCF 34a_100000759539_100000732876 [0,1,1,0,0,0|2,0,0]=4 4778 B13R1.555 Cc1ncccc1COCCCF 7a_100000729262_100011934791 [0,1,1,0,0,0|2,0,0]=4 4779 B13R1.555 Cc1ncccc1COCCCN 34a_100000182051_100000732876 [0,1,1,0,0,0|1,0,0]=3 4780 B13R1.555 Cc1ncccc1COCCCO 34a_100000729262_100000230001 [0,1,1,0,0,0|2,0,0]=4 4781 B13R1.555 Cc1ncccc1COCCCO 7a_100000729262_100011215043 [0,1,1,0,0,0|2,0,0]=4 4782 B13R1.555 Cc1ncccc1COCCON 34a_100000700252_100000732876 [0,1,1,0,0,0|2,0,0]=4 4783 B13R1.555 Cc1ncccc1CSCCCF 62a_100000732876_100011934791 [0,1,1,0,0,0|2,0,0]=4 4784 B13R1.555 Cc1ncccc1CSCCCF 62a_100011934791_100000732876 [0,1,1,0,0,0|2,0,0]=4 4785 B13R1.555 Cc1ncccc1CSCCCO 62a_100000732876_100011215043 [0,1,1,0,0,0|2,0,0]=4 4786 B13R1.555 Cc1ncccc1CSCCCO 62a_100011215043_100000732876 [0,1,1,0,0,0|2,0,0]=4 4787 B13R1.555 Cc1ncccc1OCCCCF 34a_100000745507_100000729493 [0,1,1,0,0,0|2,0,0]=4 4788 B13R1.555 Cc1ncccc1OCCCCF 7a_100000745507_100000729493 [0,1,1,0,0,0|2,0,0]=4 4789 B13R1.555 Cc1ncccc1OCCCCO 34a_100000745507_100011216708 [0,1,1,0,0,0|2,0,0]=4 4790 B13R1.555 Cc1ncccc1OCCCCO 7a_100000745507_100000210776 [0,1,1,0,0,0|2,0,0]=4 4791 B13R1.555 Cc1ncccc1SCCCCF 62a_100000729493_100000751574 [0,1,1,0,0,0|2,0,0]=4 4792 B13R1.555 Cc1ncccc1SCCCCF 62a_100000751574_100000729493 [0,1,1,0,0,0|2,0,0]=4 4793 B13R1.555 Cc1ncccc1SCCCCO 62a_100000210776_100000751574 [0,1,1,0,0,0|2,0,0]=4 4794 B13R1.555 Cc1ncccc1SCCCCO 62a_100000751574_100000210776 [0,1,1,0,0,0|2,0,0]=4 4795 B13R1.555 Cc1nccnc1CNCCCF 2230a_100020641712_100011934791 [0,1,1,0,0,0|2,0,0]=4 4796 B13R1.555 Cc1nccnc1CNCCCF 270004a_100015189416_100000050726 [0,1,1,0,0,0|2,0,0]=4 4797 B13R1.555 Cc1nccnc1CNCCCF 34a_100020641712_100011934791 [0,1,1,0,0,0|2,0,0]=4 4798 B13R1.555 Cc1nccnc1CNCCCO 2230a_100020641712_100000230001 [0,1,1,0,0,0|2,0,0]=4 4799 B13R1.555 Cc1nccnc1CNCCCO 270004a_100000182051_100000050726 [0,1,1,0,0,0|2,0,0]=4 4800 B13R1.555 Cc1nccnc1CNCCCO 34a_100020641712_100000230001 [0,1,1,0,0,0|2,0,0]=4 4801 B13R1.555 ClCCCOCc1cccnc1Br 34a_100000230001_100010140945 [0,1,1,0,0,0|2,0,0]=4 4802 B13R1.555 ClCCCOCc1cccnc1Cl 34a_100000230001_100000045678 [0,1,1,0,0,0|2,0,0]=4 4803 B13R1.555 Clc1ncccc1COCCCBr 34a_100011217188_100000045678 [0,1,1,0,0,0|2,0,0]=4 4804 B13R1.555 FCCCCOc1cccnc1Br 34a_100000744436_100000729493 [0,1,1,0,0,0|2,0,0]=4 4805 B13R1.555 FCCCCOc1cccnc1Br 7a_100000744436_100000729493 [0,1,1,0,0,0|2,0,0]=4 4806 B13R1.555 FCCCCOc1cccnc1Cl 34a_100000757616_100000729493 [0,1,1,0,0,0|2,0,0]=4 4807 B13R1.555 FCCCCOc1cccnc1Cl 7a_100000757616_100000729493 [0,1,1,0,0,0|2,0,0]=4 4808 B13R1.555 FCCCCOc1cccnc1F 34a_100000061740_100000729493 [0,1,1,0,0,0|2,0,0]=4 4809 B13R1.555 FCCCCOc1cccnc1F 7a_100000061740_100000729493 [0,1,1,0,0,0|2,0,0]=4 4810 B13R1.555 FCCCCOc1cccnc1I 34a_100000034122_100000729493 [0,1,1,0,0,0|2,0,0]=4 4811 B13R1.555 FCCCCOc1cccnc1I 7a_100000034122_100000729493 [0,1,1,0,0,0|2,0,0]=4 4812 B13R1.555 FCCCCOc1cnccc1Cl 34a_100011996695_100000729493 [0,1,1,0,0,0|2,0,0]=4 4813 B13R1.555 FCCCCOc1cnccc1I 34a_100000050107_100000729493 [0,1,1,0,0,0|2,0,0]=4 4814 B13R1.555 FCCCCSc1cccnc1Br 62a_100000729493_100010202626 [0,1,1,0,0,0|2,0,0]=4 4815 B13R1.555 FCCCCSc1cccnc1Br 62a_100010202626_100000729493 [0,1,1,0,0,0|2,0,0]=4 4816 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000036424_100000729493 [0,1,1,0,0,0|2,0,0]=4 4817 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000729493_100000036424 [0,1,1,0,0,0|2,0,0]=4 4818 B13R1.555 FCCCCSc1cccnc1F 62a_100000729493_100009816115 [0,1,1,0,0,0|2,0,0]=4 4819 B13R1.555 FCCCCSc1cccnc1F 62a_100009816115_100000729493 [0,1,1,0,0,0|2,0,0]=4 4820 B13R1.555 FCCCCSc1cnccc1Br 62a_100000729493_100010138639 [0,1,1,0,0,0|2,0,0]=4 4821 B13R1.555 FCCCCSc1cnccc1Br 62a_100010138639_100000729493 [0,1,1,0,0,0|2,0,0]=4 4822 B13R1.555 FCCCCSc1cnccc1Cl 62a_100000729493_100009995489 [0,1,1,0,0,0|2,0,0]=4 4823 B13R1.555 FCCCCSc1cnccc1Cl 62a_100009995489_100000729493 [0,1,1,0,0,0|2,0,0]=4 4824 B13R1.555 FCCCCSc1cnccc1F 62a_100000729493_100009820683 [0,1,1,0,0,0|2,0,0]=4 4825 B13R1.555 FCCCCSc1cnccc1F 62a_100009820683_100000729493 [0,1,1,0,0,0|2,0,0]=4 4826 B13R1.555 FCCCNCc1ccccc1Br 207a_100015189416_100000211189 [0,1,1,0,0,0|2,0,0]=4 4827 B13R1.555 FCCCNCc1ccccc1Br 2230a_100000689332_100011934791 [0,1,1,0,0,0|2,0,0]=4 4828 B13R1.555 FCCCNCc1ccccc1Br 2230a_100015189416_100000184730 [0,1,1,0,0,0|2,0,0]=4 4829 B13R1.555 FCCCNCc1ccccc1Br 270004a_100015189416_100000211189 [0,1,1,0,0,0|2,0,0]=4 4830 B13R1.555 FCCCNCc1ccccc1Br 34a_100000689332_100011934791 [0,1,1,0,0,0|2,0,0]=4 4831 B13R1.555 FCCCNCc1ccccc1Br 34a_100015189416_100000184730 [0,1,1,0,0,0|2,0,0]=4 4832 B13R1.555 FCCCNCc1ccccc1Cl 207a_100015189416_100000210073 [0,1,1,0,0,0|2,0,0]=4 4833 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100000174879_100011934791 [0,1,1,0,0,0|2,0,0]=4 4834 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100015189416_100000187162 [0,1,1,0,0,0|2,0,0]=4 4835 B13R1.555 FCCCNCc1ccccc1Cl 270004a_100015189416_100000210073 [0,1,1,0,0,0|2,0,0]=4 4836 B13R1.555 FCCCNCc1ccccc1Cl 34a_100000174879_100011934791 [0,1,1,0,0,0|2,0,0]=4 4837 B13R1.555 FCCCNCc1ccccc1Cl 34a_100015189416_100000187162 [0,1,1,0,0,0|2,0,0]=4 4838 B13R1.555 FCCCNCc1ccccc1F 207a_100015189416_100000210811 [0,1,1,0,0,0|2,0,0]=4 4839 B13R1.555 FCCCNCc1ccccc1F 2230a_100015189416_100000211605 [0,1,1,0,0,0|2,0,0]=4 4840 B13R1.555 FCCCNCc1ccccc1F 270004a_100015189416_100000210811 [0,1,1,0,0,0|2,0,0]=4 4841 B13R1.555 FCCCNCc1ccccc1F 34a_100000174869_100011934791 [0,1,1,0,0,0|2,0,0]=4 4842 B13R1.555 FCCCNCc1ccccc1F 34a_100015189416_100000211605 [0,1,1,0,0,0|2,0,0]=4 4843 B13R1.555 FCCCNCc1ccccc1I 207a_100015189416_100000010305 [0,1,1,0,0,0|2,0,0]=4 4844 B13R1.555 FCCCNCc1ccccc1I 2230a_100015189416_100011215278 [0,1,1,0,0,0|2,0,0]=4 4845 B13R1.555 FCCCNCc1ccccc1I 270004a_100015189416_100000010305 [0,1,1,0,0,0|2,0,0]=4 4846 B13R1.555 FCCCNCc1ccccc1I 34a_100015189416_100011215278 [0,1,1,0,0,0|2,0,0]=4 4847 B13R1.555 FCCCNCc1cccnc1Br 2230a_100009818023_100011934791 [0,1,1,0,0,0|1,0,0]=3 4848 B13R1.555 FCCCNCc1cccnc1Br 2230a_100015189416_100010140945 [0,1,1,0,0,0|1,0,0]=3 4849 B13R1.555 FCCCNCc1cccnc1Br 34a_100009818023_100011934791 [0,1,1,0,0,0|1,0,0]=3 4850 B13R1.555 FCCCNCc1cccnc1Br 34a_100015189416_100010140945 [0,1,1,0,0,0|1,0,0]=3 4851 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189234_100011934791 [0,1,1,0,0,0|1,0,0]=3 4852 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189416_100000045678 [0,1,1,0,0,0|1,0,0]=3 4853 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189234_100011934791 [0,1,1,0,0,0|1,0,0]=3 4854 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189416_100000045678 [0,1,1,0,0,0|1,0,0]=3 4855 B13R1.555 FCCCNCc1cccnc1F 2230a_100015189416_100000099810 [0,1,1,0,0,0|1,0,0]=3 4856 B13R1.555 FCCCNCc1cccnc1F 34a_100000724633_100011934791 [0,1,1,0,0,0|1,0,0]=3 4857 B13R1.555 FCCCNCc1cccnc1F 34a_100015189416_100000099810 [0,1,1,0,0,0|1,0,0]=3 4858 B13R1.555 FCCCNCc1cnccc1Br 270004a_100015189416_100009816821 [0,1,1,0,0,0|1,0,0]=3 4859 B13R1.555 FCCCNCc1cnccc1Cl 270004a_100015189416_100000050567 [0,1,1,0,0,0|1,0,0]=3 4860 B13R1.555 FCCCNCc1nccnc1Cl 2230a_100000729963_100011934791 [0,1,1,0,0,0|2,0,0]=4 4861 B13R1.555 FCCCOCc1cccnc1Br 34a_100000719692_100011934791 [0,1,1,0,0,0|2,0,0]=4 4862 B13R1.555 FCCCOCc1cccnc1Br 34a_100000759539_100010140945 [0,1,1,0,0,0|2,0,0]=4 4863 B13R1.555 FCCCOCc1cccnc1Br 7a_100000719692_100011934791 [0,1,1,0,0,0|2,0,0]=4 4864 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000748726_100011934791 [0,1,1,0,0,0|2,0,0]=4 4865 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000759539_100000045678 [0,1,1,0,0,0|2,0,0]=4 4866 B13R1.555 FCCCOCc1cccnc1Cl 7a_100000748726_100011934791 [0,1,1,0,0,0|2,0,0]=4 4867 B13R1.555 FCCCOCc1cccnc1F 34a_100000079888_100011934791 [0,1,1,0,0,0|2,0,0]=4 4868 B13R1.555 FCCCOCc1cccnc1F 34a_100000759539_100000099810 [0,1,1,0,0,0|2,0,0]=4 4869 B13R1.555 FCCCOCc1cccnc1F 7a_100000079888_100011934791 [0,1,1,0,0,0|2,0,0]=4 4870 B13R1.555 FCCCOCc1cnccc1Cl 34a_100000117392_100011934791 [0,1,1,0,0,0|2,0,0]=4 4871 B13R1.555 FCCCSCc1cccnc1Br 62a_100010140945_100011934791 [0,1,1,0,0,0|2,0,0]=4 4872 B13R1.555 FCCCSCc1cccnc1Br 62a_100011934791_100010140945 [0,1,1,0,0,0|2,0,0]=4 4873 B13R1.555 FCCCSCc1cccnc1Cl 62a_100000045678_100011934791 [0,1,1,0,0,0|2,0,0]=4 4874 B13R1.555 FCCCSCc1cccnc1Cl 62a_100011934791_100000045678 [0,1,1,0,0,0|2,0,0]=4 4875 B13R1.555 FCCCSCc1cccnc1F 62a_100000099810_100011934791 [0,1,1,0,0,0|2,0,0]=4 4876 B13R1.555 FCCCSCc1cccnc1F 62a_100011934791_100000099810 [0,1,1,0,0,0|2,0,0]=4 4877 B13R1.555 Fc1ncccc1COCCCBr 34a_100011217188_100000099810 [0,1,1,0,0,0|2,0,0]=4 4878 B13R1.555 Fc1ncccc1COCCCCl 34a_100000230001_100000099810 [0,1,1,0,0,0|2,0,0]=4 4879 B13R1.555 N#CCCNCc1cccnc1Br 2230a_100009818023_100011215226 [0,1,1,0,0,0|1,0,1]=4 4880 B13R1.555 N#CCCNCc1cccnc1Cl 2230a_100015189234_100011215226 [0,1,1,0,0,0|1,0,1]=4 4881 B13R1.555 N#CCCNCc1cccnc1O 270004a_100000720768_100011998315 [0,1,1,0,0,0|1,0,1]=4 4882 B13R1.555 N#CCCNCc1cnccc1Br 270004a_100000720768_100009816821 [0,1,1,0,0,0|1,0,1]=4 4883 B13R1.555 N#CCCNCc1cnccc1Cl 270004a_100000720768_100000050567 [0,1,1,0,0,0|1,0,1]=4 4884 B13R1.555 NCCCOCc1ccccc1Br 34a_100000182051_100000184730 [0,1,1,0,0,0|2,0,0]=4 4885 B13R1.555 NCCCOCc1ccccc1Cl 34a_100000182051_100000187162 [0,1,1,0,0,0|2,0,0]=4 4886 B13R1.555 NCCCOCc1ccccc1F 34a_100000182051_100000211605 [0,1,1,0,0,0|2,0,0]=4 4887 B13R1.555 NCCCOCc1ccccc1I 34a_100000182051_100011215278 [0,1,1,0,0,0|2,0,0]=4 4888 B13R1.555 NCCCOCc1cccnc1Br 34a_100000182051_100010140945 [0,1,1,0,0,0|1,0,0]=3 4889 B13R1.555 NCCCOCc1cccnc1Cl 34a_100000182051_100000045678 [0,1,1,0,0,0|1,0,0]=3 4890 B13R1.555 NCCCOCc1cccnc1F 34a_100000182051_100000099810 [0,1,1,0,0,0|1,0,0]=3 4891 B13R1.555 NCCOCCc1ccccc1Br 34a_100000210304_100012161201 [0,1,1,0,0,0|2,0,0]=4 4892 B13R1.555 NCCOCCc1ccccc1Cl 34a_100000210304_100011713703 [0,1,1,0,0,0|2,0,0]=4 4893 B13R1.555 NCCOCCc1ccccc1F 34a_100000210304_100000720011 [0,1,1,0,0,0|2,0,0]=4 4894 B13R1.555 NCCOCCc1ccccc1O 34a_100000210304_100000722297 [0,1,1,0,0,0|2,0,0]=4 4895 B13R1.555 NOCCOCc1cccnc1Br 34a_100000700252_100010140945 [0,1,1,0,0,0|2,0,0]=4 4896 B13R1.555 NOCCOCc1cccnc1Cl 34a_100000700252_100000045678 [0,1,1,0,0,0|2,0,0]=4 4897 B13R1.555 NOCCOCc1cccnc1F 34a_100000700252_100000099810 [0,1,1,0,0,0|2,0,0]=4 4898 B13R1.555 Nc1ccncc1OCCCCF 34a_100000753702_100000729493 [0,1,1,0,0,0|2,0,0]=4 4899 B13R1.555 Nc1ccncc1OCCCCO 34a_100000753702_100011216708 [0,1,1,0,0,0|2,0,0]=4 4900 B13R1.555 Nc1ccncc1SCCCCF 62a_100000047001_100000729493 [0,1,1,0,0,0|2,0,0]=4 4901 B13R1.555 Nc1ccncc1SCCCCF 62a_100000729493_100000047001 [0,1,1,0,0,0|2,0,0]=4 4902 B13R1.555 Nc1ccncc1SCCCCO 62a_100000047001_100000210776 [0,1,1,0,0,0|2,0,0]=4 4903 B13R1.555 Nc1ccncc1SCCCCO 62a_100000210776_100000047001 [0,1,1,0,0,0|2,0,0]=4 4904 B13R1.555 Nc1ncccc1OCCCCF 34a_100000211975_100000729493 [0,1,1,0,0,0|2,0,0]=4 4905 B13R1.555 Nc1ncccc1OCCCCF 7a_100000211975_100000729493 [0,1,1,0,0,0|2,0,0]=4 4906 B13R1.555 Nc1ncccc1OCCCCO 34a_100000211975_100011216708 [0,1,1,0,0,0|2,0,0]=4 4907 B13R1.555 Nc1ncccc1OCCCCO 7a_100000211975_100000210776 [0,1,1,0,0,0|2,0,0]=4 4908 B13R1.555 Nc1ncccc1SCCCCF 62a_100000045569_100000729493 [0,1,1,0,0,0|2,0,0]=4 4909 B13R1.555 Nc1ncccc1SCCCCF 62a_100000729493_100000045569 [0,1,1,0,0,0|2,0,0]=4 4910 B13R1.555 Nc1ncccc1SCCCCO 62a_100000045569_100000210776 [0,1,1,0,0,0|2,0,0]=4 4911 B13R1.555 Nc1ncccc1SCCCCO 62a_100000210776_100000045569 [0,1,1,0,0,0|2,0,0]=4 4912 B13R1.555 OCCCCOc1cccnc1Br 34a_100000744436_100011216708 [0,1,1,0,0,0|2,0,0]=4 4913 B13R1.555 OCCCCOc1cccnc1Br 7a_100000744436_100000210776 [0,1,1,0,0,0|2,0,0]=4 4914 B13R1.555 OCCCCOc1cccnc1Cl 34a_100000757616_100011216708 [0,1,1,0,0,0|2,0,0]=4 4915 B13R1.555 OCCCCOc1cccnc1Cl 7a_100000757616_100000210776 [0,1,1,0,0,0|2,0,0]=4 4916 B13R1.555 OCCCCOc1cccnc1F 34a_100000061740_100011216708 [0,1,1,0,0,0|2,0,0]=4 4917 B13R1.555 OCCCCOc1cccnc1F 7a_100000061740_100000210776 [0,1,1,0,0,0|2,0,0]=4 4918 B13R1.555 OCCCCOc1cccnc1I 34a_100000034122_100011216708 [0,1,1,0,0,0|2,0,0]=4 4919 B13R1.555 OCCCCOc1cccnc1I 7a_100000034122_100000210776 [0,1,1,0,0,0|2,0,0]=4 4920 B13R1.555 OCCCCOc1cnccc1Cl 34a_100011996695_100011216708 [0,1,1,0,0,0|2,0,0]=4 4921 B13R1.555 OCCCCOc1cnccc1I 34a_100000050107_100011216708 [0,1,1,0,0,0|2,0,0]=4 4922 B13R1.555 OCCCCSc1cccnc1Br 62a_100000210776_100010202626 [0,1,1,0,0,0|2,0,0]=4 4923 B13R1.555 OCCCCSc1cccnc1Br 62a_100010202626_100000210776 [0,1,1,0,0,0|2,0,0]=4 4924 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000036424_100000210776 [0,1,1,0,0,0|2,0,0]=4 4925 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000210776_100000036424 [0,1,1,0,0,0|2,0,0]=4 4926 B13R1.555 OCCCCSc1cccnc1F 62a_100000210776_100009816115 [0,1,1,0,0,0|2,0,0]=4 4927 B13R1.555 OCCCCSc1cccnc1F 62a_100009816115_100000210776 [0,1,1,0,0,0|2,0,0]=4 4928 B13R1.555 OCCCCSc1cccnc1O 62a_100000210776_100000760158 [0,1,1,0,0,0|2,0,0]=4 4929 B13R1.555 OCCCCSc1cccnc1O 62a_100000760158_100000210776 [0,1,1,0,0,0|2,0,0]=4 4930 B13R1.555 OCCCCSc1cnccc1Br 62a_100000210776_100010138639 [0,1,1,0,0,0|2,0,0]=4 4931 B13R1.555 OCCCCSc1cnccc1Br 62a_100010138639_100000210776 [0,1,1,0,0,0|2,0,0]=4 4932 B13R1.555 OCCCCSc1cnccc1Cl 62a_100000210776_100009995489 [0,1,1,0,0,0|2,0,0]=4 4933 B13R1.555 OCCCCSc1cnccc1Cl 62a_100009995489_100000210776 [0,1,1,0,0,0|2,0,0]=4 4934 B13R1.555 OCCCCSc1cnccc1F 62a_100000210776_100009820683 [0,1,1,0,0,0|2,0,0]=4 4935 B13R1.555 OCCCCSc1cnccc1F 62a_100009820683_100000210776 [0,1,1,0,0,0|2,0,0]=4 4936 B13R1.555 OCCCNCc1ccccc1Br 207a_100000182051_100000211189 [0,1,1,0,0,0|2,0,0]=4 4937 B13R1.555 OCCCNCc1ccccc1Br 2230a_100000689332_100000230001 [0,1,1,0,0,0|2,0,0]=4 4938 B13R1.555 OCCCNCc1ccccc1Br 270004a_100000182051_100000211189 [0,1,1,0,0,0|2,0,0]=4 4939 B13R1.555 OCCCNCc1ccccc1Br 34a_100000689332_100000230001 [0,1,1,0,0,0|2,0,0]=4 4940 B13R1.555 OCCCNCc1ccccc1Cl 207a_100000182051_100000210073 [0,1,1,0,0,0|2,0,0]=4 4941 B13R1.555 OCCCNCc1ccccc1Cl 2230a_100000174879_100000230001 [0,1,1,0,0,0|2,0,0]=4 4942 B13R1.555 OCCCNCc1ccccc1Cl 270004a_100000182051_100000210073 [0,1,1,0,0,0|2,0,0]=4 4943 B13R1.555 OCCCNCc1ccccc1Cl 34a_100000174879_100000230001 [0,1,1,0,0,0|2,0,0]=4 4944 B13R1.555 OCCCNCc1ccccc1F 207a_100000182051_100000210811 [0,1,1,0,0,0|2,0,0]=4 4945 B13R1.555 OCCCNCc1ccccc1F 270004a_100000182051_100000210811 [0,1,1,0,0,0|2,0,0]=4 4946 B13R1.555 OCCCNCc1ccccc1F 34a_100000174869_100000230001 [0,1,1,0,0,0|2,0,0]=4 4947 B13R1.555 OCCCNCc1ccccc1I 207a_100000182051_100000010305 [0,1,1,0,0,0|2,0,0]=4 4948 B13R1.555 OCCCNCc1ccccc1I 270004a_100000182051_100000010305 [0,1,1,0,0,0|2,0,0]=4 4949 B13R1.555 OCCCNCc1ccccc1O 34a_100000185550_100000230001 [0,1,1,0,0,0|2,0,0]=4 4950 B13R1.555 OCCCNCc1cccnc1Br 2230a_100009818023_100000230001 [0,1,1,0,0,0|1,0,0]=3 4951 B13R1.555 OCCCNCc1cccnc1Br 34a_100009818023_100000230001 [0,1,1,0,0,0|1,0,0]=3 4952 B13R1.555 OCCCNCc1cccnc1Cl 2230a_100015189234_100000230001 [0,1,1,0,0,0|1,0,0]=3 4953 B13R1.555 OCCCNCc1cccnc1Cl 34a_100015189234_100000230001 [0,1,1,0,0,0|1,0,0]=3 4954 B13R1.555 OCCCNCc1cccnc1F 34a_100000724633_100000230001 [0,1,1,0,0,0|1,0,0]=3 4955 B13R1.555 OCCCNCc1cccnc1O 207a_100000182051_100011998315 [0,1,1,0,0,0|1,0,0]=3 4956 B13R1.555 OCCCNCc1cccnc1O 270004a_100000182051_100011998315 [0,1,1,0,0,0|1,0,0]=3 4957 B13R1.555 OCCCNCc1cnccc1Br 270004a_100000182051_100009816821 [0,1,1,0,0,0|1,0,0]=3 4958 B13R1.555 OCCCNCc1cnccc1Cl 270004a_100000182051_100000050567 [0,1,1,0,0,0|1,0,0]=3 4959 B13R1.555 OCCCNCc1nccnc1Cl 2230a_100000729963_100000230001 [0,1,1,0,0,0|2,0,0]=4 4960 B13R1.555 OCCCOCc1cccnc1Br 34a_100000719692_100000230001 [0,1,1,0,0,0|2,0,0]=4 4961 B13R1.555 OCCCOCc1cccnc1Br 7a_100000719692_100011215043 [0,1,1,0,0,0|2,0,0]=4 4962 B13R1.555 OCCCOCc1cccnc1Cl 34a_100000748726_100000230001 [0,1,1,0,0,0|2,0,0]=4 4963 B13R1.555 OCCCOCc1cccnc1Cl 7a_100000748726_100011215043 [0,1,1,0,0,0|2,0,0]=4 4964 B13R1.555 OCCCOCc1cccnc1F 34a_100000079888_100000230001 [0,1,1,0,0,0|2,0,0]=4 4965 B13R1.555 OCCCOCc1cccnc1F 7a_100000079888_100011215043 [0,1,1,0,0,0|2,0,0]=4 4966 B13R1.555 OCCCOCc1cnccc1Cl 34a_100000117392_100000230001 [0,1,1,0,0,0|2,0,0]=4 4967 B13R1.555 OCCCSCc1cccnc1Br 62a_100010140945_100011215043 [0,1,1,0,0,0|2,0,0]=4 4968 B13R1.555 OCCCSCc1cccnc1Br 62a_100011215043_100010140945 [0,1,1,0,0,0|2,0,0]=4 4969 B13R1.555 OCCCSCc1cccnc1Cl 62a_100000045678_100011215043 [0,1,1,0,0,0|2,0,0]=4 4970 B13R1.555 OCCCSCc1cccnc1Cl 62a_100011215043_100000045678 [0,1,1,0,0,0|2,0,0]=4 4971 B13R1.555 OCCCSCc1cccnc1F 62a_100000099810_100011215043 [0,1,1,0,0,0|2,0,0]=4 4972 B13R1.555 OCCCSCc1cccnc1F 62a_100011215043_100000099810 [0,1,1,0,0,0|2,0,0]=4 4973 B13R1.555 Oc1ccccc1CNCCCF 34a_100000185550_100011934791 [0,1,1,0,0,0|2,0,0]=4 4974 B13R1.555 Oc1ncccc1CNCCCF 207a_100015189416_100011998315 [0,1,1,0,0,0|1,0,0]=3 4975 B13R1.555 Oc1ncccc1CNCCCF 270004a_100015189416_100011998315 [0,1,1,0,0,0|1,0,0]=3 4976 B13R1.555 Oc1ncccc1SCCCCF 62a_100000729493_100000760158 [0,1,1,0,0,0|2,0,0]=4 4977 B13R1.555 Oc1ncccc1SCCCCF 62a_100000760158_100000729493 [0,1,1,0,0,0|2,0,0]=4 4978 B13R1.555 [13CH3]OCCNCc1ccccc1Br 34a_106744479749_200025704644 [0,1,1,0,0,0|2,0,0]=4 4979 B13R1.555 [13CH3]OCCNCc1ccccc1Cl 34a_100015187164_200025704644 [0,1,1,0,0,0|2,0,0]=4 4980 B13R1.718 CC(CF)OCCc1cccnc1 7a_100016041109_200011713674 [0,1,1,0,0,0|2,0,0]=4 4981 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,1,1,0,0,0|2,0,0]=4 4982 B13R1.718 CC(CN)COCc1cccnc1 34a_100000744482_100000733263 [0,1,1,0,0,0|1,0,0]=3 4983 B13R1.718 CC(CN)COCc1cccnn1 34a_100000744482_100016990269 [0,1,1,0,0,0|2,0,0]=4 4984 B13R1.718 CC(CN)COCc1cnccn1 34a_100000744482_100016995436 [0,1,1,0,0,0|2,0,0]=4 4985 B13R1.718 CC(CN)COCc1cncnc1 34a_100000744482_100015196519 [0,1,1,0,0,0|2,0,0]=4 4986 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,1,1,0,0,0|2,0,0]=4 4987 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,1,1,0,0,0|2,0,0]=4 4988 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,1,1,0,0,0|2,0,0]=4 4989 B13R1.718 CC(CO)CNCc1cccnc1 207a_100000744482_100000209961 [0,1,1,0,0,0|1,0,0]=3 4990 B13R1.718 CC(CO)CNCc1cccnc1 34a_100000744482_100000733263 [0,1,1,0,0,0|1,0,0]=3 4991 B13R1.718 CC(CO)CNCc1cccnn1 34a_100000744482_100016990269 [0,1,1,0,0,0|2,0,0]=4 4992 B13R1.718 CC(CO)CNCc1cnccn1 34a_100000744482_100016995436 [0,1,1,0,0,0|2,0,0]=4 4993 B13R1.718 CC(CO)CNCc1cncnc1 34a_100000744482_100015196519 [0,1,1,0,0,0|2,0,0]=4 4994 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [0,1,1,0,0,0|2,0,0]=4 4995 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [0,1,1,0,0,0|2,0,0]=4 4996 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [0,1,1,0,0,0|2,0,0]=4 4997 B13R1.718 CCC(=O)COCc1cccnc1 34a_100000725409_100000733263 [0,1,1,0,0,0|1,0,1]=4 4998 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000741622_100000747405 [0,1,1,0,0,0|1,0,1]=4 4999 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000747405_100000741622 [0,1,1,0,0,0|1,0,1]=4 5000 B13R1.718 CCC(=O)NNCc1cccnc1 22a_100000738295_100000210414 [0,1,1,0,0,0|1,0,1]=4 5001 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,1,1,0,0,0|1,0,0]=3 5002 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,1,1,0,0,0|1,0,0]=3 5003 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,1,1,0,0,0|1,0,0]=3 5004 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,1,1,0,0,0|1,0,0]=3 5005 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,1,1,0,0,0|1,0,0]=3 5006 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,1,1,0,0,0|1,0,0]=3 5007 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,1,1,0,0,0|2,0,0]=4 5008 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,1,1,0,0,0|2,0,0]=4 5009 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,1,1,0,0,0|2,0,0]=4 5010 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,1,1,0,0,0|2,0,0]=4 5011 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,1,1,0,0,0|0,0,0]=2 5012 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,1,1,0,0,0|0,0,0]=2 5013 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,1,1,0,0,0|0,0,0]=2 5014 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,1,1,0,0,0|0,0,0]=2 5015 B13R1.718 CCC(C)CNCc1cccnn1 2230a_100020588543_100016990269 [0,1,1,0,0,0|1,0,0]=3 5016 B13R1.718 CCC(C)CNCc1cccnn1 2230a_100159270163_100000748023 [0,1,1,0,0,0|1,0,0]=3 5017 B13R1.718 CCC(C)CNCc1ccncc1 207a_100020588543_100000186114 [0,1,1,0,0,0|2,0,0]=4 5018 B13R1.718 CCC(C)CNCc1ccncc1 2230a_100020588543_100015193705 [0,1,1,0,0,0|2,0,0]=4 5019 B13R1.718 CCC(C)CNCc1ccnnc1 270004a_100020588543_100011934578 [0,1,1,0,0,0|1,0,0]=3 5020 B13R1.718 CCC(C)CNCc1cnccn1 2230a_100020588543_100016995436 [0,1,1,0,0,0|1,0,0]=3 5021 B13R1.718 CCC(C)CNCc1cnccn1 270004a_100020588543_100000749867 [0,1,1,0,0,0|1,0,0]=3 5022 B13R1.718 CCC(C)CNCc1cncnc1 2230a_100011243677_100000748023 [0,1,1,0,0,0|1,0,0]=3 5023 B13R1.718 CCC(C)CNCc1cncnc1 2230a_100020588543_100015196519 [0,1,1,0,0,0|1,0,0]=3 5024 B13R1.718 CCC(C)CNCc1cncnc1 270004a_100011243677_100000243153 [0,1,1,0,0,0|1,0,0]=3 5025 B13R1.718 CCC(C)CNCc1cncnc1 270004a_100020588543_100000749868 [0,1,1,0,0,0|1,0,0]=3 5026 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,1,1,0,0,0|2,0,0]=4 5027 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,1,1,0,0,0|2,0,0]=4 5028 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,1,1,0,0,0|2,0,0]=4 5029 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,1,1,0,0,0|2,0,0]=4 5030 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,1,1,0,0,0|1,0,0]=3 5031 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,1,1,0,0,0|1,0,0]=3 5032 B13R1.718 CCC(C)CSCc1cccnn1 62a_100000748023_100016990269 [0,1,1,0,0,0|2,0,0]=4 5033 B13R1.718 CCC(C)CSCc1cccnn1 62a_100016990269_100000748023 [0,1,1,0,0,0|2,0,0]=4 5034 B13R1.718 CCC(C)CSCc1cnccn1 62a_100000748023_100016995436 [0,1,1,0,0,0|2,0,0]=4 5035 B13R1.718 CCC(C)CSCc1cnccn1 62a_100016995436_100000748023 [0,1,1,0,0,0|2,0,0]=4 5036 B13R1.718 CCC(C)CSCc1cncnc1 62a_100000748023_100015196519 [0,1,1,0,0,0|2,0,0]=4 5037 B13R1.718 CCC(C)CSCc1cncnc1 62a_100015196519_100000748023 [0,1,1,0,0,0|2,0,0]=4 5038 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,1,1,0,0,0|2,0,0]=4 5039 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,1,1,0,0,0|2,0,0]=4 5040 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,1,1,0,0,0|2,0,0]=4 5041 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,1,1,0,0,0|2,0,0]=4 5042 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,1,1,0,0,0|2,0,0]=4 5043 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,1,1,0,0,0|2,0,0]=4 5044 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,1,1,0,0,0|1,0,0]=3 5045 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,1,1,0,0,0|1,0,0]=3 5046 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,1,1,0,0,0|1,0,0]=3 5047 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,1,1,0,0,0|1,0,0]=3 5048 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,1,1,0,0,0|1,0,0]=3 5049 B13R1.718 CCC(O)CNCc1ccccn1 207a_100011218483_100000209966 [0,1,1,0,0,0|2,0,0]=4 5050 B13R1.718 CCC(O)CNCc1ccccn1 2230a_100011218483_100000721315 [0,1,1,0,0,0|2,0,0]=4 5051 B13R1.718 CCC(O)CNCc1ccccn1 270004a_100011218483_100000209966 [0,1,1,0,0,0|2,0,0]=4 5052 B13R1.718 CCC(O)CNCc1cccnc1 207a_100011218483_100000209961 [0,1,1,0,0,0|0,0,0]=2 5053 B13R1.718 CCC(O)CNCc1cccnc1 2230a_100011218483_100000741622 [0,1,1,0,0,0|0,0,0]=2 5054 B13R1.718 CCC(O)CNCc1cccnc1 270004a_100011218483_100000209961 [0,1,1,0,0,0|0,0,0]=2 5055 B13R1.718 CCC(O)CNCc1cccnn1 2230a_100011218483_100016990269 [0,1,1,0,0,0|1,0,0]=3 5056 B13R1.718 CCC(O)CNCc1cccnn1 2230a_100159270163_100011218378 [0,1,1,0,0,0|1,0,0]=3 5057 B13R1.718 CCC(O)CNCc1ccncc1 207a_100011218483_100000186114 [0,1,1,0,0,0|2,0,0]=4 5058 B13R1.718 CCC(O)CNCc1ccncc1 2230a_100011218483_100015193705 [0,1,1,0,0,0|2,0,0]=4 5059 B13R1.718 CCC(O)CNCc1ccnnc1 270004a_100011218483_100011934578 [0,1,1,0,0,0|1,0,0]=3 5060 B13R1.718 CCC(O)CNCc1cnccn1 2230a_100011218483_100016995436 [0,1,1,0,0,0|1,0,0]=3 5061 B13R1.718 CCC(O)CNCc1cnccn1 270004a_100011218483_100000749867 [0,1,1,0,0,0|1,0,0]=3 5062 B13R1.718 CCC(O)CNCc1cncnc1 2230a_100011218483_100015196519 [0,1,1,0,0,0|1,0,0]=3 5063 B13R1.718 CCC(O)CNCc1cncnc1 2230a_100011243677_100011218378 [0,1,1,0,0,0|1,0,0]=3 5064 B13R1.718 CCC(O)CNCc1cncnc1 270004a_100011218483_100000749868 [0,1,1,0,0,0|1,0,0]=3 5065 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,1,1,0,0,0|2,0,0]=4 5066 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,1,1,0,0,0|2,0,0]=4 5067 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,1,1,0,0,0|2,0,0]=4 5068 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,1,1,0,0,0|2,0,0]=4 5069 B13R1.718 CCC(O)CSCc1cccnc1 62a_100000741622_100011218378 [0,1,1,0,0,0|1,0,0]=3 5070 B13R1.718 CCC(O)CSCc1cccnc1 62a_100011218378_100000741622 [0,1,1,0,0,0|1,0,0]=3 5071 B13R1.718 CCC(O)CSCc1cccnn1 62a_100011218378_100016990269 [0,1,1,0,0,0|2,0,0]=4 5072 B13R1.718 CCC(O)CSCc1cccnn1 62a_100016990269_100011218378 [0,1,1,0,0,0|2,0,0]=4 5073 B13R1.718 CCC(O)CSCc1cnccn1 62a_100011218378_100016995436 [0,1,1,0,0,0|2,0,0]=4 5074 B13R1.718 CCC(O)CSCc1cnccn1 62a_100016995436_100011218378 [0,1,1,0,0,0|2,0,0]=4 5075 B13R1.718 CCC(O)CSCc1cncnc1 62a_100011218378_100015196519 [0,1,1,0,0,0|2,0,0]=4 5076 B13R1.718 CCC(O)CSCc1cncnc1 62a_100015196519_100011218378 [0,1,1,0,0,0|2,0,0]=4 5077 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,1,1,0,0,0|1,0,0]=3 5078 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,1,1,0,0,0|1,0,0]=3 5079 B13R1.718 CC[C@H](C)CNCc1cccnn1 2230a_100159270163_100009816398 [0,1,1,0,0,0|1,0,0]=3 5080 B13R1.718 CC[C@H](C)CNCc1cncnc1 2230a_100011243677_100009816398 [0,1,1,0,0,0|1,0,0]=3 5081 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,1,1,0,0,0|2,0,0]=4 5082 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,1,1,0,0,0|2,0,0]=4 5083 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,1,1,0,0,0|2,0,0]=4 5084 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,1,1,0,0,0|1,0,0]=3 5085 B13R1.718 CC[C@H](C)COCc1cccnn1 7a_100009816381_100016990269 [0,1,1,0,0,0|2,0,0]=4 5086 B13R1.718 CC[C@H](C)COCc1cnccn1 7a_100009816381_100016995436 [0,1,1,0,0,0|2,0,0]=4 5087 B13R1.718 CC[C@H](C)COCc1cncnc1 7a_100009816381_100015196519 [0,1,1,0,0,0|2,0,0]=4 5088 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,1,1,0,0,0|2,0,0]=4 5089 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,1,1,0,0,0|2,0,0]=4 5090 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,1,1,0,0,0|1,0,0]=3 5091 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,1,1,0,0,0|1,0,0]=3 5092 B13R1.718 CC[C@H](C)CSCc1cccnn1 62a_100009816398_100016990269 [0,1,1,0,0,0|2,0,0]=4 5093 B13R1.718 CC[C@H](C)CSCc1cccnn1 62a_100016990269_100009816398 [0,1,1,0,0,0|2,0,0]=4 5094 B13R1.718 CC[C@H](C)CSCc1cnccn1 62a_100009816398_100016995436 [0,1,1,0,0,0|2,0,0]=4 5095 B13R1.718 CC[C@H](C)CSCc1cnccn1 62a_100016995436_100009816398 [0,1,1,0,0,0|2,0,0]=4 5096 B13R1.718 CC[C@H](C)CSCc1cncnc1 62a_100009816398_100015196519 [0,1,1,0,0,0|2,0,0]=4 5097 B13R1.718 CC[C@H](C)CSCc1cncnc1 62a_100015196519_100009816398 [0,1,1,0,0,0|2,0,0]=4 5098 B13R1.718 CNC(=O)CNCc1cccnc1 207a_100000693194_100000209961 [0,1,1,0,0,0|1,0,1]=4 5099 B13R1.718 CNC(=O)CNCc1cccnc1 2230a_100000693194_100000741622 [0,1,1,0,0,0|1,0,1]=4 5100 B13R1.718 CNC(=O)CNCc1cccnc1 270004a_100000693194_100000209961 [0,1,1,0,0,0|1,0,1]=4 5101 B13R1.718 COC(C)COCc1cccnc1 34a_100000690652_100000733263 [0,1,1,0,0,0|2,0,0]=4 5102 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,1,1,0,0,0|2,0,0]=4 5103 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,1,1,0,0,0|2,0,0]=4 5104 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,1,1,0,0,0|2,0,0]=4 5105 B13R1.718 CO[C@H](C)CNCc1cccnc1 207a_100020591295_100000209961 [0,1,1,0,0,0|1,0,0]=3 5106 B13R1.718 CO[C@H](C)CNCc1cccnc1 2230a_100020591295_100000741622 [0,1,1,0,0,0|1,0,0]=3 5107 B13R1.718 CO[C@H](C)CNCc1cccnc1 270004a_100020591295_100000209961 [0,1,1,0,0,0|1,0,0]=3 5108 B13R1.718 CO[C@H](C)CNCc1cccnn1 2230a_100020591295_100016990269 [0,1,1,0,0,0|2,0,0]=4 5109 B13R1.718 CO[C@H](C)CNCc1ccnnc1 270004a_100020591295_100011934578 [0,1,1,0,0,0|2,0,0]=4 5110 B13R1.718 CO[C@H](C)CNCc1cnccn1 2230a_100020591295_100016995436 [0,1,1,0,0,0|2,0,0]=4 5111 B13R1.718 CO[C@H](C)CNCc1cnccn1 270004a_100020591295_100000749867 [0,1,1,0,0,0|2,0,0]=4 5112 B13R1.718 CO[C@H](C)CNCc1cncnc1 2230a_100020591295_100015196519 [0,1,1,0,0,0|2,0,0]=4 5113 B13R1.718 CO[C@H](C)CNCc1cncnc1 270004a_100020591295_100000749868 [0,1,1,0,0,0|2,0,0]=4 5114 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,1,1,0,0,0|2,0,0]=4 5115 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,1,1,0,0,0|2,0,0]=4 5116 B13R1.718 C[C@@H](CO)CNCc1cccnn1 2230a_100159270163_100000059175 [0,1,1,0,0,0|2,0,0]=4 5117 B13R1.718 C[C@@H](CO)CNCc1cncnc1 2230a_100011243677_100000059175 [0,1,1,0,0,0|2,0,0]=4 5118 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [0,1,1,0,0,0|2,0,0]=4 5119 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [0,1,1,0,0,0|2,0,0]=4 5120 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [0,1,1,0,0,0|2,0,0]=4 5121 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [0,1,1,0,0,0|2,0,0]=4 5122 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [0,1,1,0,0,0|2,0,0]=4 5123 B13R1.718 ClCC(Cl)COCc1cccnc1 34a_100000033668_100000733263 [0,1,1,0,0,0|2,0,0]=4 5124 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,1,1,0,0,0|2,0,0]=4 5125 B13R1.718 NC[C@@H](F)COCc1cccnc1 34a_100015665980_100000733263 [0,1,1,0,0,0|1,0,0]=3 5126 B13R1.718 NC[C@@H](F)COCc1cccnn1 34a_100015665980_100016990269 [0,1,1,0,0,0|2,0,0]=4 5127 B13R1.718 NC[C@@H](F)COCc1cnccn1 34a_100015665980_100016995436 [0,1,1,0,0,0|2,0,0]=4 5128 B13R1.718 NC[C@@H](F)COCc1cncnc1 34a_100015665980_100015196519 [0,1,1,0,0,0|2,0,0]=4 5129 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,1,1,0,0,0|2,0,0]=4 5130 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,1,1,0,0,0|2,0,0]=4 5131 B13R1.718 OCC(O)CNCc1cccnn1 2230a_100159270163_100011219619 [0,1,1,0,0,0|2,0,0]=4 5132 B13R1.718 OCC(O)CNCc1cncnc1 2230a_100011243677_100011219619 [0,1,1,0,0,0|2,0,0]=4 5133 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [0,1,1,0,0,0|2,0,0]=4 5134 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [0,1,1,0,0,0|2,0,0]=4 5135 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,1,1,0,0,0|2,0,0]=4 5136 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,1,1,0,0,0|2,0,0]=4 5137 B13R1.718 OC[C@@H](O)CNCc1cccnc1 207a_100020644852_100000209961 [0,1,1,0,0,0|1,0,0]=3 5138 B13R1.718 OC[C@@H](O)CNCc1cccnc1 2230a_100020644852_100000741622 [0,1,1,0,0,0|1,0,0]=3 5139 B13R1.718 OC[C@@H](O)CNCc1cccnn1 2230a_100020644852_100016990269 [0,1,1,0,0,0|2,0,0]=4 5140 B13R1.718 OC[C@@H](O)CNCc1cnccn1 2230a_100020644852_100016995436 [0,1,1,0,0,0|2,0,0]=4 5141 B13R1.718 OC[C@@H](O)CNCc1cncnc1 2230a_100020644852_100015196519 [0,1,1,0,0,0|2,0,0]=4 5142 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,1,1,0,0,0|2,0,0]=4 5143 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,1,1,0,0,0|2,0,0]=4 5144 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,1,1,0,0,0|2,0,0]=4 5145 B13R1.718 OC[C@H](F)CNCc1cccnc1 207a_100015665980_100000209961 [0,1,1,0,0,0|1,0,0]=3 5146 B13R1.718 OC[C@H](F)CNCc1cccnc1 270004a_100015665980_100000209961 [0,1,1,0,0,0|1,0,0]=3 5147 B13R1.718 OC[C@H](F)CNCc1cccnc1 34a_100015665980_100000733263 [0,1,1,0,0,0|1,0,0]=3 5148 B13R1.718 OC[C@H](F)CNCc1cccnn1 34a_100015665980_100016990269 [0,1,1,0,0,0|2,0,0]=4 5149 B13R1.718 OC[C@H](F)CNCc1ccnnc1 270004a_100015665980_100011934578 [0,1,1,0,0,0|2,0,0]=4 5150 B13R1.718 OC[C@H](F)CNCc1cnccn1 270004a_100015665980_100000749867 [0,1,1,0,0,0|2,0,0]=4 5151 B13R1.718 OC[C@H](F)CNCc1cnccn1 34a_100015665980_100016995436 [0,1,1,0,0,0|2,0,0]=4 5152 B13R1.718 OC[C@H](F)CNCc1cncnc1 270004a_100015665980_100000749868 [0,1,1,0,0,0|2,0,0]=4 5153 B13R1.718 OC[C@H](F)CNCc1cncnc1 34a_100015665980_100015196519 [0,1,1,0,0,0|2,0,0]=4 5154 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,1,1,0,0,0|2,0,0]=4 5155 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,1,1,0,0,0|2,0,0]=4 5156 B13R1.718 OC[C@H](O)CNCc1cccnn1 2230a_100159270163_100009815848 [0,1,1,0,0,0|2,0,0]=4 5157 B13R1.718 OC[C@H](O)CNCc1cncnc1 2230a_100011243677_100009815848 [0,1,1,0,0,0|2,0,0]=4 5158 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [0,1,1,0,0,0|2,0,0]=4 5159 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [0,1,1,0,0,0|2,0,0]=4 5160 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,1,1,0,0,0|2,0,0]=4 5161 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,1,1,0,0,0|2,0,0]=4 5162 B13R1.718 O[C@@H](CF)CNCc1cccnn1 2230a_100159270163_100015614560 [0,1,1,0,0,0|2,0,0]=4 5163 B13R1.718 O[C@@H](CF)CNCc1cncnc1 2230a_100011243677_100015614560 [0,1,1,0,0,0|2,0,0]=4 5164 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100000741622_100015614560 [0,1,1,0,0,0|2,0,0]=4 5165 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100015614560_100000741622 [0,1,1,0,0,0|2,0,0]=4 5166 B13R1.11 CC(C#N)NC(C)c1cccnc1 2230a_100000195435_100000184139 [0,1,1,0,0,0|1,0,1]=4 5167 B13R1.11 CC(CO)NC(C)c1cccnc1 2230a_100000195435_100012180447 [0,1,1,0,0,0|1,0,0]=3 5168 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,1,1,0,0,0|2,0,0]=4 5169 B13R1.11 CC(CO)N[C@H](C)c1cnccn1 2230a_100020589798_100012180447 [0,1,1,0,0,0|2,0,0]=4 5170 B13R1.11 CC(NC(=O)CO)c1cccnc1 240690a_100000195435_100000210174 [0,1,1,0,0,0|1,0,1]=4 5171 B13R1.11 CC(NC(=O)CO)c1cccnc1 527a_100000195435_100000210174 [0,1,1,0,0,0|1,0,1]=4 5172 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,1,1,0,0,0|2,0,0]=4 5173 B13R1.11 CC(N[C@H](C)CF)c1cccnc1 269862a_100102880703_100000210468 [0,1,1,0,0,0|1,0,0]=3 5174 B13R1.11 CC(N[C@H](C)CF)c1cccnn1 269862a_100102880703_100009866853 [0,1,1,0,0,0|2,0,0]=4 5175 B13R1.11 CC(N[C@H](C)CF)c1ccnnc1 269862a_100102880703_100012182992 [0,1,1,0,0,0|2,0,0]=4 5176 B13R1.11 CC(N[C@H](C)CF)c1cnccn1 269862a_100102880703_100000751083 [0,1,1,0,0,0|2,0,0]=4 5177 B13R1.11 CC(N[C@H](C)CF)c1cncnc1 269862a_100102880703_100000757475 [0,1,1,0,0,0|2,0,0]=4 5178 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,1,1,0,0,0|2,0,0]=4 5179 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,1,1,0,0,0|2,0,0]=4 5180 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 269862a_100000737577_100000210468 [0,1,1,0,0,0|1,0,0]=3 5181 B13R1.11 CC(N[C@H](C)CO)c1cccnn1 269862a_100000737577_100009866853 [0,1,1,0,0,0|2,0,0]=4 5182 B13R1.11 CC(N[C@H](C)CO)c1ccnnc1 269862a_100000737577_100012182992 [0,1,1,0,0,0|2,0,0]=4 5183 B13R1.11 CC(N[C@H](C)CO)c1cnccn1 2230a_100000737577_200000703233 [0,1,1,0,0,0|2,0,0]=4 5184 B13R1.11 CC(N[C@H](C)CO)c1cnccn1 269862a_100000737577_100000751083 [0,1,1,0,0,0|2,0,0]=4 5185 B13R1.11 CC(N[C@H](C)CO)c1cncnc1 269862a_100000737577_100000757475 [0,1,1,0,0,0|2,0,0]=4 5186 B13R1.11 CCC(=O)NC(C)c1cccnc1 11a_100000195435_100000210414 [0,1,1,0,0,0|0,0,1]=3 5187 B13R1.11 CCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000210414 [0,1,1,0,0,0|0,0,1]=3 5188 B13R1.11 CCC(=O)NC(C)c1cccnc1 527a_100000195435_100000210414 [0,1,1,0,0,0|0,0,1]=3 5189 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [0,1,1,0,0,0|1,0,1]=4 5190 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [0,1,1,0,0,0|1,0,1]=4 5191 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [0,1,1,0,0,0|1,0,1]=4 5192 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [0,1,1,0,0,0|1,0,1]=4 5193 B13R1.11 CCC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100000210414 [0,1,1,0,0,0|1,0,1]=4 5194 B13R1.11 CCC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100000210414 [0,1,1,0,0,0|1,0,1]=4 5195 B13R1.11 CCC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100000210414 [0,1,1,0,0,0|1,0,1]=4 5196 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,1,0,0,0|1,0,0]=3 5197 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,1,0,0,0|1,0,0]=3 5198 B13R1.11 CCC(C)NC(C)c1ccccn1 2230a_100000181244_100000758301 [0,1,1,0,0,0|2,0,0]=4 5199 B13R1.11 CCC(C)NC(C)c1ccccn1 269862a_100000209981_100000210467 [0,1,1,0,0,0|2,0,0]=4 5200 B13R1.11 CCC(C)NC(C)c1cccnc1 2230a_100000195435_100000758301 [0,1,1,0,0,0|0,0,0]=2 5201 B13R1.11 CCC(C)NC(C)c1cccnc1 269862a_100000209981_100000210468 [0,1,1,0,0,0|0,0,0]=2 5202 B13R1.11 CCC(C)NC(C)c1cccnn1 269862a_100000209981_100009866853 [0,1,1,0,0,0|1,0,0]=3 5203 B13R1.11 CCC(C)NC(C)c1ccncc1 2230a_100000181269_100000758301 [0,1,1,0,0,0|2,0,0]=4 5204 B13R1.11 CCC(C)NC(C)c1ccncc1 269862a_100000209981_100000185792 [0,1,1,0,0,0|2,0,0]=4 5205 B13R1.11 CCC(C)NC(C)c1ccnnc1 269862a_100000209981_100012182992 [0,1,1,0,0,0|1,0,0]=3 5206 B13R1.11 CCC(C)NC(C)c1cnccn1 2230a_100000209981_200000703233 [0,1,1,0,0,0|1,0,0]=3 5207 B13R1.11 CCC(C)NC(C)c1cnccn1 269862a_100000209981_100000751083 [0,1,1,0,0,0|1,0,0]=3 5208 B13R1.11 CCC(C)NC(C)c1cncnc1 269862a_100000209981_100000757475 [0,1,1,0,0,0|1,0,0]=3 5209 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,1,0,0,0|1,0,0]=3 5210 B13R1.11 CCC(C)N[C@H](C)c1cnccn1 2230a_100020589798_100000758301 [0,1,1,0,0,0|1,0,0]=3 5211 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,1,0,0,0|2,0,0]=4 5212 B13R1.11 CCC(C)OC(C)c1cnccn1 7a_100000210228_200000703233 [0,1,1,0,0,0|2,0,0]=4 5213 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,1,0,0,0|2,0,0]=4 5214 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,1,0,0,0|2,0,0]=4 5215 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,1,0,0,0|2,0,0]=4 5216 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,1,0,0,0|2,0,0]=4 5217 B13R1.11 CCC(C)SC(C)c1cnccn1 62a_100000758301_200000703233 [0,1,1,0,0,0|2,0,0]=4 5218 B13R1.11 CCC(C)SC(C)c1cnccn1 62a_200000703233_100000758301 [0,1,1,0,0,0|2,0,0]=4 5219 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100000195435_106832991635 [0,1,1,0,0,0|1,0,1]=4 5220 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100102657272_100000195435 [0,1,1,0,0,0|1,0,1]=4 5221 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100000195435_100102657272 [0,1,1,0,0,0|1,0,1]=4 5222 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100102657272_100000195435 [0,1,1,0,0,0|1,0,1]=4 5223 B13R1.11 CNC(=O)NC(C)c1cccnc1 512a_106832991638_100000195435 [0,1,1,0,0,0|1,0,1]=4 5224 B13R1.17 C#CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000038162 [0,1,1,0,0,0|0,0,2]=4 5225 B13R1.17 C#CCNC(C)c1ccc(nc1)C 34a_100011815741_100000184674 [0,1,1,0,0,0|0,0,2]=4 5226 B13R1.17 C#CCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000038162 [0,1,1,0,0,0|0,0,2]=4 5227 B13R1.17 C=CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210623 [0,1,1,0,0,0|0,0,2]=4 5228 B13R1.17 C=CCNC(C)c1ccc(nc1)C 34a_100011815741_100015514636 [0,1,1,0,0,0|0,0,2]=4 5229 B13R1.17 C=CCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000210623 [0,1,1,0,0,0|0,0,2]=4 5230 B13R1.17 CC(NCCF)c1ccc(cc1)Br 269862a_100000724931_100000185794 [0,1,1,0,0,0|2,0,0]=4 5231 B13R1.17 CC(NCCF)c1ccc(cc1)Br 34a_100000724931_100000755118 [0,1,1,0,0,0|2,0,0]=4 5232 B13R1.17 CC(NCCF)c1ccc(cc1)Cl 269862a_100000724931_100000185797 [0,1,1,0,0,0|2,0,0]=4 5233 B13R1.17 CC(NCCF)c1ccc(cc1)F 269862a_100000724931_100000185800 [0,1,1,0,0,0|2,0,0]=4 5234 B13R1.17 CC(NCCF)c1ccc(cc1)F 34a_100000724931_100000743420 [0,1,1,0,0,0|2,0,0]=4 5235 B13R1.17 CC(NCCF)c1ccc(cc1)I 269862a_100000724931_100000185465 [0,1,1,0,0,0|2,0,0]=4 5236 B13R1.17 CC(NCCF)c1ccc(nc1)Br 269862a_100000724931_100000684857 [0,1,1,0,0,0|1,0,0]=3 5237 B13R1.17 CC(NCCF)c1ccc(nc1)Cl 269862a_100000724931_100000690552 [0,1,1,0,0,0|1,0,0]=3 5238 B13R1.17 CC(NCCF)c1ccc(nc1)F 269862a_100000724931_100000085738 [0,1,1,0,0,0|1,0,0]=3 5239 B13R1.17 CC(NCCF)c1cnc(cn1)Cl 269862a_100000724931_100009883172 [0,1,1,0,0,0|2,0,0]=4 5240 B13R1.17 CC(NCCO)c1ccc(cc1)Br 2230a_100016997473_100000755118 [0,1,1,0,0,0|2,0,0]=4 5241 B13R1.17 CC(NCCO)c1ccc(cc1)Br 269862a_100000210304_100000185794 [0,1,1,0,0,0|2,0,0]=4 5242 B13R1.17 CC(NCCO)c1ccc(cc1)Br 34a_100016990907_100000755118 [0,1,1,0,0,0|2,0,0]=4 5243 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 2230a_100016997473_100000684792 [0,1,1,0,0,0|2,0,0]=4 5244 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000185797 [0,1,1,0,0,0|2,0,0]=4 5245 B13R1.17 CC(NCCO)c1ccc(cc1)F 2230a_100016997473_100000743420 [0,1,1,0,0,0|2,0,0]=4 5246 B13R1.17 CC(NCCO)c1ccc(cc1)F 269862a_100000210304_100000185800 [0,1,1,0,0,0|2,0,0]=4 5247 B13R1.17 CC(NCCO)c1ccc(cc1)F 34a_100016990907_100000743420 [0,1,1,0,0,0|2,0,0]=4 5248 B13R1.17 CC(NCCO)c1ccc(cc1)I 269862a_100000210304_100000185465 [0,1,1,0,0,0|2,0,0]=4 5249 B13R1.17 CC(NCCO)c1ccc(nc1)Br 269862a_100000210304_100000684857 [0,1,1,0,0,0|1,0,0]=3 5250 B13R1.17 CC(NCCO)c1ccc(nc1)Cl 269862a_100000210304_100000690552 [0,1,1,0,0,0|1,0,0]=3 5251 B13R1.17 CC(NCCO)c1ccc(nc1)F 269862a_100000210304_100000085738 [0,1,1,0,0,0|1,0,0]=3 5252 B13R1.17 CC(NCCO)c1cnc(cn1)Cl 269862a_100000210304_100009883172 [0,1,1,0,0,0|2,0,0]=4 5253 B13R1.17 CC(NCCO)c1cnc(cn1)Cl 270004a_100000210304_100009883172 [0,1,1,0,0,0|2,0,0]=4 5254 B13R1.17 CC(OCCF)c1ccc(nc1)Br 34a_200010274204_100011217306 [0,1,1,0,0,0|2,0,0]=4 5255 B13R1.17 CC(OCCF)c1ccc(nc1)Br 7a_200010274204_100011217306 [0,1,1,0,0,0|2,0,0]=4 5256 B13R1.17 CC(OCCF)c1ccc(nc1)Cl 34a_200012017543_100011217306 [0,1,1,0,0,0|2,0,0]=4 5257 B13R1.17 CC(OCCF)c1ccc(nc1)Cl 7a_200012017543_100011217306 [0,1,1,0,0,0|2,0,0]=4 5258 B13R1.17 CC(OCCO)c1ccc(nc1)Br 34a_200010274204_100000211926 [0,1,1,0,0,0|2,0,0]=4 5259 B13R1.17 CC(OCCO)c1ccc(nc1)Br 7a_200010274204_100000211926 [0,1,1,0,0,0|2,0,0]=4 5260 B13R1.17 CC(OCCO)c1ccc(nc1)Cl 34a_200012017543_100000211926 [0,1,1,0,0,0|2,0,0]=4 5261 B13R1.17 CC(OCCO)c1ccc(nc1)Cl 7a_200012017543_100000211926 [0,1,1,0,0,0|2,0,0]=4 5262 B13R1.17 CCCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000161739 [0,1,1,0,0,0|1,0,1]=4 5263 B13R1.17 CCCNC(C)c1cc[n+](cc1)[O-] 269862a_100020643023_100000076990 [0,1,1,0,0,0|2,0,0]=4 5264 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,1,1,0,0,0|1,0,0]=3 5265 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,1,1,0,0,0|1,0,0]=3 5266 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,1,1,0,0,0|1,0,0]=3 5267 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,1,1,0,0,0|1,0,0]=3 5268 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,1,1,0,0,0|1,0,0]=3 5269 B13R1.17 CCCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210303 [0,1,1,0,0,0|2,0,0]=4 5270 B13R1.17 CCCNC(C)c1ccc(cn1)Br 269862a_100020643023_100000686046 [0,1,1,0,0,0|2,0,0]=4 5271 B13R1.17 CCCNC(C)c1ccc(cn1)Br 270004a_100020643023_100000686046 [0,1,1,0,0,0|2,0,0]=4 5272 B13R1.17 CCCNC(C)c1ccc(cn1)C 269862a_100020643023_100000084104 [0,1,1,0,0,0|2,0,0]=4 5273 B13R1.17 CCCNC(C)c1ccc(cn1)C 270004a_100020643023_100000084104 [0,1,1,0,0,0|2,0,0]=4 5274 B13R1.17 CCCNC(C)c1ccc(cn1)Cl 269862a_100020643023_100000692432 [0,1,1,0,0,0|2,0,0]=4 5275 B13R1.17 CCCNC(C)c1ccc(cn1)Cl 270004a_100020643023_100000692432 [0,1,1,0,0,0|2,0,0]=4 5276 B13R1.17 CCCNC(C)c1ccc(cn1)F 269862a_100020643023_100102946652 [0,1,1,0,0,0|2,0,0]=4 5277 B13R1.17 CCCNC(C)c1ccc(cn1)F 270004a_100020643023_100102946652 [0,1,1,0,0,0|2,0,0]=4 5278 B13R1.17 CCCNC(C)c1ccc(nc1)Br 269862a_100020643023_100000684857 [0,1,1,0,0,0|0,0,0]=2 5279 B13R1.17 CCCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210303 [0,1,1,0,0,0|0,0,0]=2 5280 B13R1.17 CCCNC(C)c1ccc(nc1)C 269862a_100020643023_100011280547 [0,1,1,0,0,0|0,0,0]=2 5281 B13R1.17 CCCNC(C)c1ccc(nc1)C 34a_100011815741_100000210303 [0,1,1,0,0,0|0,0,0]=2 5282 B13R1.17 CCCNC(C)c1ccc(nc1)Cl 269862a_100020643023_100000690552 [0,1,1,0,0,0|0,0,0]=2 5283 B13R1.17 CCCNC(C)c1ccc(nc1)F 269862a_100020643023_100000085738 [0,1,1,0,0,0|0,0,0]=2 5284 B13R1.17 CCCNC(C)c1cnc(cn1)Cl 269862a_100020643023_100009883172 [0,1,1,0,0,0|1,0,0]=3 5285 B13R1.17 CCCNC(C)c1cnc(cn1)Cl 270004a_100020643023_100009883172 [0,1,1,0,0,0|1,0,0]=3 5286 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,1,1,0,0,0|1,0,0]=3 5287 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,1,1,0,0,0|1,0,0]=3 5288 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,1,1,0,0,0|1,0,0]=3 5289 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,1,1,0,0,0|1,0,0]=3 5290 B13R1.17 CCCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000210303 [0,1,1,0,0,0|0,0,0]=2 5291 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,1,1,0,0,0|1,0,0]=3 5292 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,1,1,0,0,0|1,0,0]=3 5293 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,1,1,0,0,0|1,0,0]=3 5294 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,1,1,0,0,0|1,0,0]=3 5295 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,1,1,0,0,0|1,0,0]=3 5296 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,1,1,0,0,0|2,0,0]=4 5297 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,1,1,0,0,0|2,0,0]=4 5298 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,1,1,0,0,0|2,0,0]=4 5299 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,1,1,0,0,0|2,0,0]=4 5300 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,1,1,0,0,0|2,0,0]=4 5301 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,1,1,0,0,0|2,0,0]=4 5302 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,1,1,0,0,0|2,0,0]=4 5303 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,1,1,0,0,0|2,0,0]=4 5304 B13R1.17 CCCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210303 [0,1,1,0,0,0|1,0,0]=3 5305 B13R1.17 CCCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210303 [0,1,1,0,0,0|1,0,0]=3 5306 B13R1.17 CCCOC(C)c1ccc(nc1)C 34a_200011815720_100000210303 [0,1,1,0,0,0|1,0,0]=3 5307 B13R1.17 CCCOC(C)c1ccc(nc1)C 7a_200011815720_100000210303 [0,1,1,0,0,0|1,0,0]=3 5308 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210303 [0,1,1,0,0,0|1,0,0]=3 5309 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210303 [0,1,1,0,0,0|1,0,0]=3 5310 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,1,1,0,0,0|2,0,0]=4 5311 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,1,1,0,0,0|2,0,0]=4 5312 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,1,1,0,0,0|2,0,0]=4 5313 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,1,1,0,0,0|2,0,0]=4 5314 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,1,1,0,0,0|2,0,0]=4 5315 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,1,1,0,0,0|2,0,0]=4 5316 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,1,1,0,0,0|2,0,0]=4 5317 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,1,1,0,0,0|2,0,0]=4 5318 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,1,1,0,0,0|2,0,0]=4 5319 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,1,1,0,0,0|2,0,0]=4 5320 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,1,1,0,0,0|2,0,0]=4 5321 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,1,1,0,0,0|2,0,0]=4 5322 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,1,1,0,0,0|2,0,0]=4 5323 B13R1.17 CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210202 [0,1,1,0,0,0|2,0,0]=4 5324 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,1,1,0,0,0|2,0,0]=4 5325 B13R1.17 CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210202 [0,1,1,0,0,0|2,0,0]=4 5326 B13R1.17 COCCC(N)c1ccc(cc1)C 34a_100011661551_200000210301 [0,1,1,0,0,0|2,0,0]=4 5327 B13R1.17 COCCC(N)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,1,1,0,0,0|2,0,0]=4 5328 B13R1.17 COCCC(N)c1ccc(cc1)F 34a_100000752280_200000210301 [0,1,1,0,0,0|2,0,0]=4 5329 B13R1.17 COCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,1,1,0,0,0|2,0,0]=4 5330 B13R1.17 COCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200000210301 [0,1,1,0,0,0|2,0,0]=4 5331 B13R1.17 COCNC(C)c1ccc(nc1)C 2230a_100011815741_100000766300 [0,1,1,0,0,0|1,0,0]=3 5332 B13R1.17 COCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000766300 [0,1,1,0,0,0|2,0,0]=4 5333 B13R1.17 COCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000766300 [0,1,1,0,0,0|2,0,0]=4 5334 B13R1.17 COCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000766300 [0,1,1,0,0,0|2,0,0]=4 5335 B13R1.17 COCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000766300 [0,1,1,0,0,0|1,0,0]=3 5336 B13R1.17 COCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000766300 [0,1,1,0,0,0|2,0,0]=4 5337 B13R1.17 COCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000766300 [0,1,1,0,0,0|2,0,0]=4 5338 B13R1.17 COCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000766300 [0,1,1,0,0,0|2,0,0]=4 5339 B13R1.17 CSCNC(C)c1ccc(nc1)C 2230a_100011815741_100011218213 [0,1,1,0,0,0|1,0,0]=3 5340 B13R1.17 CSCNC(C)c1ccc(nc1)C 34a_100011815741_100011218213 [0,1,1,0,0,0|1,0,0]=3 5341 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011218213 [0,1,1,0,0,0|2,0,0]=4 5342 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011218213 [0,1,1,0,0,0|2,0,0]=4 5343 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011218213 [0,1,1,0,0,0|2,0,0]=4 5344 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011218213 [0,1,1,0,0,0|2,0,0]=4 5345 B13R1.17 CSCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100011218213 [0,1,1,0,0,0|1,0,0]=3 5346 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011218213 [0,1,1,0,0,0|2,0,0]=4 5347 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011218213 [0,1,1,0,0,0|2,0,0]=4 5348 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011218213 [0,1,1,0,0,0|2,0,0]=4 5349 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011218213 [0,1,1,0,0,0|2,0,0]=4 5350 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011218213 [0,1,1,0,0,0|2,0,0]=4 5351 B13R1.17 CSCOC(C)c1ccc(nc1)Br 34a_200010274204_100011218213 [0,1,1,0,0,0|2,0,0]=4 5352 B13R1.17 CSCOC(C)c1ccc(nc1)C 34a_200011815720_100011218213 [0,1,1,0,0,0|2,0,0]=4 5353 B13R1.17 CSCOC(C)c1ccc(nc1)Cl 34a_200012017543_100011218213 [0,1,1,0,0,0|2,0,0]=4 5354 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Br 2230a_100000720352_100011217306 [0,1,1,0,0,0|2,0,0]=4 5355 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 2230a_100015205461_100011217306 [0,1,1,0,0,0|2,0,0]=4 5356 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 34a_100015205461_100011217306 [0,1,1,0,0,0|2,0,0]=4 5357 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Br 2230a_100000720352_100000211926 [0,1,1,0,0,0|2,0,0]=4 5358 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 2230a_100015205461_100000211926 [0,1,1,0,0,0|2,0,0]=4 5359 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 34a_100015205461_100000211926 [0,1,1,0,0,0|2,0,0]=4 5360 B13R1.17 C[C@H](NCC#N)c1ccc(nc1)Br 2230a_100015387476_100011215382 [0,1,1,0,0,0|1,0,1]=4 5361 B13R1.17 C[C@H](NCC=O)c1ccc(nc1)Br 2230a_100015387476_200015260668 [0,1,1,0,0,0|1,0,1]=4 5362 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 2230a_100025705893_100011217306 [0,1,1,0,0,0|2,0,0]=4 5363 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 34a_100025705893_100011217306 [0,1,1,0,0,0|2,0,0]=4 5364 B13R1.17 C[C@H](NCCF)c1ccc(cc1)I 2230a_100000753911_100011217306 [0,1,1,0,0,0|2,0,0]=4 5365 B13R1.17 C[C@H](NCCF)c1ccc(cc1)O 2230a_100161106496_100011217306 [0,1,1,0,0,0|2,0,0]=4 5366 B13R1.17 C[C@H](NCCF)c1ccc(nc1)Br 2230a_100015387476_100011217306 [0,1,1,0,0,0|1,0,0]=3 5367 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 2230a_100025705893_100000211926 [0,1,1,0,0,0|2,0,0]=4 5368 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 34a_100025705893_100000211926 [0,1,1,0,0,0|2,0,0]=4 5369 B13R1.17 C[C@H](NCCO)c1ccc(cc1)I 2230a_100000753911_100000211926 [0,1,1,0,0,0|2,0,0]=4 5370 B13R1.17 C[C@H](NCCO)c1ccc(cc1)O 2230a_100161106496_100000211926 [0,1,1,0,0,0|2,0,0]=4 5371 B13R1.17 C[C@H](NCCO)c1ccc(nc1)Br 2230a_100015387476_100000211926 [0,1,1,0,0,0|1,0,0]=3 5372 B13R1.17 Cc1ccc(cc1)C(C)NCCF 269862a_100000724931_100000185793 [0,1,1,0,0,0|2,0,0]=4 5373 B13R1.17 Cc1ccc(cc1)C(C)NCCF 34a_100000724931_100011261388 [0,1,1,0,0,0|2,0,0]=4 5374 B13R1.17 Cc1ccc(cc1)C(C)NCCO 2230a_100016997473_100011261388 [0,1,1,0,0,0|2,0,0]=4 5375 B13R1.17 Cc1ccc(cc1)C(C)NCCO 269862a_100000210304_100000185793 [0,1,1,0,0,0|2,0,0]=4 5376 B13R1.17 Cc1ccc(cc1)C(C)NCCO 34a_100016990907_100011261388 [0,1,1,0,0,0|2,0,0]=4 5377 B13R1.17 Cc1ccc(cc1)C(N)CCO[13CH3] 34a_100011661551_200025704644 [0,1,1,0,0,0|2,0,0]=4 5378 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 2230a_100016988085_100011217306 [0,1,1,0,0,0|2,0,0]=4 5379 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 34a_100016988085_100011217306 [0,1,1,0,0,0|2,0,0]=4 5380 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 2230a_100016988085_100000211926 [0,1,1,0,0,0|2,0,0]=4 5381 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 34a_100016988085_100000211926 [0,1,1,0,0,0|2,0,0]=4 5382 B13R1.17 Cc1ccc(cn1)C(C)NCC#N 2230a_100011815741_100011215382 [0,1,1,0,0,0|1,0,1]=4 5383 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 2230a_100011815741_200015260668 [0,1,1,0,0,0|1,0,1]=4 5384 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 34a_100011815741_200009817547 [0,1,1,0,0,0|1,0,1]=4 5385 B13R1.17 Cc1ccc(cn1)C(C)NCCF 2230a_100011815741_100011217306 [0,1,1,0,0,0|1,0,0]=3 5386 B13R1.17 Cc1ccc(cn1)C(C)NCCF 269862a_100000724931_100011280547 [0,1,1,0,0,0|1,0,0]=3 5387 B13R1.17 Cc1ccc(cn1)C(C)NCCF 34a_100011815741_100011217306 [0,1,1,0,0,0|1,0,0]=3 5388 B13R1.17 Cc1ccc(cn1)C(C)NCCO 2230a_100011815741_100000211926 [0,1,1,0,0,0|1,0,0]=3 5389 B13R1.17 Cc1ccc(cn1)C(C)NCCO 269862a_100000210304_100011280547 [0,1,1,0,0,0|1,0,0]=3 5390 B13R1.17 Cc1ccc(cn1)C(C)NCCO 34a_100011815741_100000211926 [0,1,1,0,0,0|1,0,0]=3 5391 B13R1.17 Cc1ccc(cn1)C(C)OCCF 34a_200011815720_100011217306 [0,1,1,0,0,0|2,0,0]=4 5392 B13R1.17 Cc1ccc(cn1)C(C)OCCF 7a_200011815720_100011217306 [0,1,1,0,0,0|2,0,0]=4 5393 B13R1.17 Cc1ccc(cn1)C(C)OCCO 34a_200011815720_100000211926 [0,1,1,0,0,0|2,0,0]=4 5394 B13R1.17 Cc1ccc(cn1)C(C)OCCO 7a_200011815720_100000211926 [0,1,1,0,0,0|2,0,0]=4 5395 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,1,1,0,0,0|2,0,0]=4 5396 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)F 34a_100000752280_200025704644 [0,1,1,0,0,0|2,0,0]=4 5397 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,1,1,0,0,0|2,0,0]=4 5398 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200025704644 [0,1,1,0,0,0|2,0,0]=4 5399 B13R1.18 C#CCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000038162 [0,1,1,0,0,0|0,0,2]=4 5400 B13R1.18 C=CCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000210623 [0,1,1,0,0,0|0,0,2]=4 5401 B13R1.18 CC(NCCF)c1cccc(c1)Br 2230a_100020642005_100011217306 [0,1,1,0,0,0|2,0,0]=4 5402 B13R1.18 CC(NCCF)c1cccc(c1)Br 269862a_100000724931_100000210093 [0,1,1,0,0,0|2,0,0]=4 5403 B13R1.18 CC(NCCF)c1cccc(c1)Cl 2230a_100102723534_100011217306 [0,1,1,0,0,0|2,0,0]=4 5404 B13R1.18 CC(NCCF)c1cccc(c1)Cl 269862a_100000724931_200000210964 [0,1,1,0,0,0|2,0,0]=4 5405 B13R1.18 CC(NCCF)c1cccc(c1)Cl 34a_100102723534_100011217306 [0,1,1,0,0,0|2,0,0]=4 5406 B13R1.18 CC(NCCF)c1cccc(c1)F 269862a_100000724931_100000187083 [0,1,1,0,0,0|2,0,0]=4 5407 B13R1.18 CC(NCCF)c1cccc(c1)I 269862a_100000724931_100011356966 [0,1,1,0,0,0|2,0,0]=4 5408 B13R1.18 CC(NCCF)c1cccc(c1)O 2230a_100000740644_100011217306 [0,1,1,0,0,0|2,0,0]=4 5409 B13R1.18 CC(NCCF)c1cccc(c1)O 269862a_100000724931_100000211620 [0,1,1,0,0,0|2,0,0]=4 5410 B13R1.18 CC(NCCF)c1cncc(c1)Br 269862a_100000724931_100011216243 [0,1,1,0,0,0|1,0,0]=3 5411 B13R1.18 CC(NCCF)c1cncc(c1)F 269862a_100000724931_100000758212 [0,1,1,0,0,0|1,0,0]=3 5412 B13R1.18 CC(NCCO)c1cccc(c1)Br 2230a_100020642005_100000211926 [0,1,1,0,0,0|2,0,0]=4 5413 B13R1.18 CC(NCCO)c1cccc(c1)Br 269862a_100000210304_100000210093 [0,1,1,0,0,0|2,0,0]=4 5414 B13R1.18 CC(NCCO)c1cccc(c1)Cl 2230a_100102723534_100000211926 [0,1,1,0,0,0|2,0,0]=4 5415 B13R1.18 CC(NCCO)c1cccc(c1)Cl 269862a_100000210304_200000210964 [0,1,1,0,0,0|2,0,0]=4 5416 B13R1.18 CC(NCCO)c1cccc(c1)Cl 34a_100102723534_100000211926 [0,1,1,0,0,0|2,0,0]=4 5417 B13R1.18 CC(NCCO)c1cccc(c1)F 269862a_100000210304_100000187083 [0,1,1,0,0,0|2,0,0]=4 5418 B13R1.18 CC(NCCO)c1cccc(c1)I 269862a_100000210304_100011356966 [0,1,1,0,0,0|2,0,0]=4 5419 B13R1.18 CC(NCCO)c1cccc(c1)O 2230a_100000740644_100000211926 [0,1,1,0,0,0|2,0,0]=4 5420 B13R1.18 CC(NCCO)c1cccc(c1)O 269862a_100000210304_100000211620 [0,1,1,0,0,0|2,0,0]=4 5421 B13R1.18 CC(NCCO)c1cncc(c1)Br 269862a_100000210304_100011216243 [0,1,1,0,0,0|1,0,0]=3 5422 B13R1.18 CC(NCCO)c1cncc(c1)F 269862a_100000210304_100000758212 [0,1,1,0,0,0|1,0,0]=3 5423 B13R1.18 CC(OCCF)c1cncc(c1)Br 34a_100012351597_100011217306 [0,1,1,0,0,0|2,0,0]=4 5424 B13R1.18 CC(OCCF)c1cncc(c1)Br 7a_100012351597_100011217306 [0,1,1,0,0,0|2,0,0]=4 5425 B13R1.18 CC(OCCO)c1cncc(c1)Br 34a_100012351597_100000211926 [0,1,1,0,0,0|2,0,0]=4 5426 B13R1.18 CC(OCCO)c1cncc(c1)Br 7a_100012351597_100000211926 [0,1,1,0,0,0|2,0,0]=4 5427 B13R1.18 CCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000152275 [0,1,1,0,0,0|1,0,1]=4 5428 B13R1.18 CCCNC(C)c1cc(ccn1)Br 269862a_100020643023_100000709912 [0,1,1,0,0,0|2,0,0]=4 5429 B13R1.18 CCCNC(C)c1cc(ccn1)Br 270004a_100020643023_100000709912 [0,1,1,0,0,0|2,0,0]=4 5430 B13R1.18 CCCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210303 [0,1,1,0,0,0|2,0,0]=4 5431 B13R1.18 CCCNC(C)c1cc(ccn1)C 269862a_100020643023_100000728896 [0,1,1,0,0,0|2,0,0]=4 5432 B13R1.18 CCCNC(C)c1cc(ccn1)C 270004a_100020643023_100000728896 [0,1,1,0,0,0|2,0,0]=4 5433 B13R1.18 CCCNC(C)c1cc(ccn1)Cl 269862a_100020643023_100000099826 [0,1,1,0,0,0|2,0,0]=4 5434 B13R1.18 CCCNC(C)c1cc(ccn1)Cl 270004a_100020643023_100000099826 [0,1,1,0,0,0|2,0,0]=4 5435 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,1,1,0,0,0|1,0,0]=3 5436 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,1,1,0,0,0|1,0,0]=3 5437 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,1,1,0,0,0|1,0,0]=3 5438 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,1,1,0,0,0|1,0,0]=3 5439 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,1,1,0,0,0|1,0,0]=3 5440 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,1,1,0,0,0|1,0,0]=3 5441 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,1,1,0,0,0|1,0,0]=3 5442 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,1,1,0,0,0|1,0,0]=3 5443 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,1,1,0,0,0|1,0,0]=3 5444 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,1,1,0,0,0|1,0,0]=3 5445 B13R1.18 CCCNC(C)c1cccc(n1)Br 2230a_200010173468_100000210303 [0,1,1,0,0,0|2,0,0]=4 5446 B13R1.18 CCCNC(C)c1cccc(n1)Br 269862a_100020643023_100009816502 [0,1,1,0,0,0|2,0,0]=4 5447 B13R1.18 CCCNC(C)c1cccc(n1)C 2230a_100011877385_100000210303 [0,1,1,0,0,0|2,0,0]=4 5448 B13R1.18 CCCNC(C)c1cccc(n1)C 269862a_100020643023_100011877301 [0,1,1,0,0,0|2,0,0]=4 5449 B13R1.18 CCCNC(C)c1cccc(n1)Cl 269862a_100020643023_100000085735 [0,1,1,0,0,0|2,0,0]=4 5450 B13R1.18 CCCNC(C)c1cccc(n1)F 269862a_100020643023_100000092306 [0,1,1,0,0,0|2,0,0]=4 5451 B13R1.18 CCCNC(C)c1ccnc(c1)Br 269862a_100020643023_100010177706 [0,1,1,0,0,0|2,0,0]=4 5452 B13R1.18 CCCNC(C)c1ccnc(c1)C 269862a_100020643023_100011998260 [0,1,1,0,0,0|2,0,0]=4 5453 B13R1.18 CCCNC(C)c1ccnc(c1)Cl 269862a_100020643023_100000685609 [0,1,1,0,0,0|2,0,0]=4 5454 B13R1.18 CCCNC(C)c1cncc(c1)Br 269862a_100020643023_100011216243 [0,1,1,0,0,0|0,0,0]=2 5455 B13R1.18 CCCNC(C)c1cncc(c1)C 269862a_100020643023_100000702010 [0,1,1,0,0,0|0,0,0]=2 5456 B13R1.18 CCCNC(C)c1cncc(c1)F 269862a_100020643023_100000758212 [0,1,1,0,0,0|0,0,0]=2 5457 B13R1.18 CCCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000210303 [0,1,1,0,0,0|2,0,0]=4 5458 B13R1.18 CCCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000210303 [0,1,1,0,0,0|2,0,0]=4 5459 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,1,1,0,0,0|1,0,0]=3 5460 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,1,1,0,0,0|1,0,0]=3 5461 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,1,1,0,0,0|1,0,0]=3 5462 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,1,1,0,0,0|1,0,0]=3 5463 B13R1.18 CCCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000210303 [0,1,1,0,0,0|0,0,0]=2 5464 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,1,1,0,0,0|2,0,0]=4 5465 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,1,1,0,0,0|2,0,0]=4 5466 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,1,1,0,0,0|2,0,0]=4 5467 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,1,1,0,0,0|2,0,0]=4 5468 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,1,1,0,0,0|2,0,0]=4 5469 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,1,1,0,0,0|2,0,0]=4 5470 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,1,1,0,0,0|2,0,0]=4 5471 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,1,1,0,0,0|2,0,0]=4 5472 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,1,1,0,0,0|2,0,0]=4 5473 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,1,1,0,0,0|2,0,0]=4 5474 B13R1.18 CCCOC(C)c1cncc(c1)Br 34a_100012351597_100000210303 [0,1,1,0,0,0|1,0,0]=3 5475 B13R1.18 CCCOC(C)c1cncc(c1)Br 7a_100012351597_100000210303 [0,1,1,0,0,0|1,0,0]=3 5476 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,1,1,0,0,0|2,0,0]=4 5477 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,1,1,0,0,0|2,0,0]=4 5478 B13R1.18 CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210202 [0,1,1,0,0,0|2,0,0]=4 5479 B13R1.18 CCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210202 [0,1,1,0,0,0|2,0,0]=4 5480 B13R1.18 CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210202 [0,1,1,0,0,0|2,0,0]=4 5481 B13R1.18 CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,1,1,0,0,0|2,0,0]=4 5482 B13R1.18 COCCC(N)c1cccc(c1)Br 34a_200011661555_200000210301 [0,1,1,0,0,0|2,0,0]=4 5483 B13R1.18 COCCC(N)c1cccc(c1)C 34a_100011661531_200000210301 [0,1,1,0,0,0|2,0,0]=4 5484 B13R1.18 COCCC(N)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,1,1,0,0,0|2,0,0]=4 5485 B13R1.18 COCCC(N)c1cccc(c1)F 34a_100011661530_200000210301 [0,1,1,0,0,0|2,0,0]=4 5486 B13R1.18 COCNC(C)c1cccc(c1)Br 2230a_100020642005_100000766300 [0,1,1,0,0,0|2,0,0]=4 5487 B13R1.18 COCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000766300 [0,1,1,0,0,0|2,0,0]=4 5488 B13R1.18 COCNC(C)c1cccc(c1)O 2230a_100000740644_100000766300 [0,1,1,0,0,0|2,0,0]=4 5489 B13R1.18 COCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000766300 [0,1,1,0,0,0|2,0,0]=4 5490 B13R1.18 COCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000766300 [0,1,1,0,0,0|2,0,0]=4 5491 B13R1.18 COCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000766300 [0,1,1,0,0,0|1,0,0]=3 5492 B13R1.18 CSCNC(C)c1cccc(c1)Br 2230a_100020642005_100011218213 [0,1,1,0,0,0|2,0,0]=4 5493 B13R1.18 CSCNC(C)c1cccc(c1)Cl 2230a_100102723534_100011218213 [0,1,1,0,0,0|2,0,0]=4 5494 B13R1.18 CSCNC(C)c1cccc(c1)Cl 34a_100102723534_100011218213 [0,1,1,0,0,0|2,0,0]=4 5495 B13R1.18 CSCNC(C)c1cccc(c1)O 2230a_100000740644_100011218213 [0,1,1,0,0,0|2,0,0]=4 5496 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100011218213 [0,1,1,0,0,0|2,0,0]=4 5497 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 34a_100000698126_100011218213 [0,1,1,0,0,0|2,0,0]=4 5498 B13R1.18 CSCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100011218213 [0,1,1,0,0,0|2,0,0]=4 5499 B13R1.18 CSCN[C@H](C)c1cccc(c1)F 34a_100015193778_100011218213 [0,1,1,0,0,0|2,0,0]=4 5500 B13R1.18 CSCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100011218213 [0,1,1,0,0,0|1,0,0]=3 5501 B13R1.18 CSCOC(C)c1cncc(c1)Br 34a_100012351597_100011218213 [0,1,1,0,0,0|2,0,0]=4 5502 B13R1.18 C[C@@H](NCC#N)c1cncc(c1)Br 2230a_100012350620_100011215382 [0,1,1,0,0,0|1,0,1]=4 5503 B13R1.18 C[C@@H](NCC=O)c1cncc(c1)Br 2230a_100012350620_200015260668 [0,1,1,0,0,0|1,0,1]=4 5504 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 2230a_100015193778_100011217306 [0,1,1,0,0,0|2,0,0]=4 5505 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 34a_100015193778_100011217306 [0,1,1,0,0,0|2,0,0]=4 5506 B13R1.18 C[C@@H](NCCF)c1cncc(c1)Br 2230a_100012350620_100011217306 [0,1,1,0,0,0|1,0,0]=3 5507 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 2230a_100015193778_100000211926 [0,1,1,0,0,0|2,0,0]=4 5508 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 34a_100015193778_100000211926 [0,1,1,0,0,0|2,0,0]=4 5509 B13R1.18 C[C@@H](NCCO)c1cncc(c1)Br 2230a_100012350620_100000211926 [0,1,1,0,0,0|1,0,0]=3 5510 B13R1.18 Cc1cccc(c1)C(C)NCCF 269862a_100000724931_100000211476 [0,1,1,0,0,0|2,0,0]=4 5511 B13R1.18 Cc1cccc(c1)C(C)NCCO 269862a_100000210304_100000211476 [0,1,1,0,0,0|2,0,0]=4 5512 B13R1.18 Cc1cccc(c1)C(N)CCO[13CH3] 34a_100011661531_200025704644 [0,1,1,0,0,0|2,0,0]=4 5513 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 2230a_100000698126_100011217306 [0,1,1,0,0,0|2,0,0]=4 5514 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 34a_100000698126_100011217306 [0,1,1,0,0,0|2,0,0]=4 5515 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 2230a_100000698126_100000211926 [0,1,1,0,0,0|2,0,0]=4 5516 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 34a_100000698126_100000211926 [0,1,1,0,0,0|2,0,0]=4 5517 B13R1.18 Cc1cncc(c1)C(C)NCCF 269862a_100000724931_100000702010 [0,1,1,0,0,0|1,0,0]=3 5518 B13R1.18 Cc1cncc(c1)C(C)NCCO 269862a_100000210304_100000702010 [0,1,1,0,0,0|1,0,0]=3 5519 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Br 34a_200011661555_200025704644 [0,1,1,0,0,0|2,0,0]=4 5520 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,1,1,0,0,0|2,0,0]=4 5521 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)F 34a_100011661530_200025704644 [0,1,1,0,0,0|2,0,0]=4 5522 B13R1.45 C=C(C)CNC(C)c1cccnc1 2230a_100000195435_100000748629 [0,1,1,0,0,0|0,0,1]=3 5523 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748629 [0,1,1,0,0,0|1,0,1]=4 5524 B13R1.45 C=C(C)CN[C@H](C)c1cnccn1 2230a_100020589798_100000748629 [0,1,1,0,0,0|1,0,1]=4 5525 B13R1.45 C=C(F)CNC(C)c1cccnc1 2230a_100000195435_100009893438 [0,1,1,0,0,0|0,0,2]=4 5526 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,1,1,0,0,0|2,0,0]=4 5527 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,1,1,0,0,0|1,0,0]=3 5528 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,1,1,0,0,0|1,0,0]=3 5529 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,1,1,0,0,0|1,0,0]=3 5530 B13R1.45 CC(C)CNC(C)c1ccccn1 2230a_100000181244_100000210760 [0,1,1,0,0,0|2,0,0]=4 5531 B13R1.45 CC(C)CNC(C)c1ccccn1 269862a_100000210953_100000210467 [0,1,1,0,0,0|2,0,0]=4 5532 B13R1.45 CC(C)CNC(C)c1ccccn1 270004a_100000181244_100000210432 [0,1,1,0,0,0|2,0,0]=4 5533 B13R1.45 CC(C)CNC(C)c1cccnc1 2230a_100000195435_100000210760 [0,1,1,0,0,0|0,0,0]=2 5534 B13R1.45 CC(C)CNC(C)c1cccnc1 269862a_100000210953_100000210468 [0,1,1,0,0,0|0,0,0]=2 5535 B13R1.45 CC(C)CNC(C)c1cccnc1 270004a_100000195435_100000210432 [0,1,1,0,0,0|0,0,0]=2 5536 B13R1.45 CC(C)CNC(C)c1cccnn1 269862a_100000210953_100009866853 [0,1,1,0,0,0|1,0,0]=3 5537 B13R1.45 CC(C)CNC(C)c1ccncc1 2230a_100000181269_100000210760 [0,1,1,0,0,0|2,0,0]=4 5538 B13R1.45 CC(C)CNC(C)c1ccncc1 269862a_100000210953_100000185792 [0,1,1,0,0,0|2,0,0]=4 5539 B13R1.45 CC(C)CNC(C)c1ccncc1 270004a_100000181269_100000210432 [0,1,1,0,0,0|2,0,0]=4 5540 B13R1.45 CC(C)CNC(C)c1ccnnc1 269862a_100000210953_100012182992 [0,1,1,0,0,0|1,0,0]=3 5541 B13R1.45 CC(C)CNC(C)c1cnccn1 2230a_100000210953_200000703233 [0,1,1,0,0,0|1,0,0]=3 5542 B13R1.45 CC(C)CNC(C)c1cnccn1 269862a_100000210953_100000751083 [0,1,1,0,0,0|1,0,0]=3 5543 B13R1.45 CC(C)CNC(C)c1cncnc1 269862a_100000210953_100000757475 [0,1,1,0,0,0|1,0,0]=3 5544 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,1,1,0,0,0|1,0,0]=3 5545 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,1,1,0,0,0|1,0,0]=3 5546 B13R1.45 CC(C)CN[C@H](C)c1cnccn1 2230a_100020589798_100000210760 [0,1,1,0,0,0|1,0,0]=3 5547 B13R1.45 CC(C)CN[C@H](C)c1cnccn1 270004a_100020589798_100000210432 [0,1,1,0,0,0|1,0,0]=3 5548 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,1,1,0,0,0|2,0,0]=4 5549 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,1,1,0,0,0|2,0,0]=4 5550 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,1,1,0,0,0|2,0,0]=4 5551 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,1,1,0,0,0|2,0,0]=4 5552 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,1,1,0,0,0|2,0,0]=4 5553 B13R1.45 CC(C)CSC(C)c1cnccn1 62a_100000210624_200000703233 [0,1,1,0,0,0|2,0,0]=4 5554 B13R1.45 CC(C)CSC(C)c1cnccn1 62a_200000703233_100000210760 [0,1,1,0,0,0|2,0,0]=4 5555 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [0,1,1,0,0,0|2,0,0]=4 5556 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,1,1,0,0,0|2,0,0]=4 5557 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,1,1,0,0,0|2,0,0]=4 5558 B13R1.45 CC(NCC(=O)N)c1cccnc1 2230a_100000195435_100000747473 [0,1,1,0,0,0|1,0,1]=4 5559 B13R1.45 CC(NCC(F)F)c1ccccc1 34a_100000765723_100000211855 [0,1,1,0,0,0|2,0,0]=4 5560 B13R1.45 CC(NCC(F)F)c1cccnc1 2230a_100000195435_100011934356 [0,1,1,0,0,0|1,0,0]=3 5561 B13R1.45 CC(NC[C@@H](C)O)c1ccccn1 2230a_100000181244_100009817552 [0,1,1,0,0,0|2,0,0]=4 5562 B13R1.45 CC(NC[C@@H](C)O)c1cccnc1 2230a_100000195435_100009817552 [0,1,1,0,0,0|0,0,0]=2 5563 B13R1.45 CC(NC[C@@H](C)O)c1ccncc1 2230a_100000181269_100009817552 [0,1,1,0,0,0|2,0,0]=4 5564 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,1,1,0,0,0|1,0,0]=3 5565 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,1,1,0,0,0|1,0,0]=3 5566 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,1,0,0,0|1,0,0]=3 5567 B13R1.45 CC(O)CNC(C)c1ccccn1 2230a_100000181244_100011218427 [0,1,1,0,0,0|2,0,0]=4 5568 B13R1.45 CC(O)CNC(C)c1ccccn1 269862a_100000210904_100000210467 [0,1,1,0,0,0|2,0,0]=4 5569 B13R1.45 CC(O)CNC(C)c1cccnc1 2230a_100000195435_100011218427 [0,1,1,0,0,0|0,0,0]=2 5570 B13R1.45 CC(O)CNC(C)c1cccnc1 269862a_100000210904_100000210468 [0,1,1,0,0,0|0,0,0]=2 5571 B13R1.45 CC(O)CNC(C)c1cccnn1 269862a_100000210904_100009866853 [0,1,1,0,0,0|1,0,0]=3 5572 B13R1.45 CC(O)CNC(C)c1ccncc1 2230a_100000181269_100011218427 [0,1,1,0,0,0|2,0,0]=4 5573 B13R1.45 CC(O)CNC(C)c1ccncc1 269862a_100000210904_100000185792 [0,1,1,0,0,0|2,0,0]=4 5574 B13R1.45 CC(O)CNC(C)c1ccnnc1 269862a_100000210904_100012182992 [0,1,1,0,0,0|1,0,0]=3 5575 B13R1.45 CC(O)CNC(C)c1cnccn1 2230a_100000210904_200000703233 [0,1,1,0,0,0|1,0,0]=3 5576 B13R1.45 CC(O)CNC(C)c1cnccn1 269862a_100000210904_100000751083 [0,1,1,0,0,0|1,0,0]=3 5577 B13R1.45 CC(O)CNC(C)c1cncnc1 269862a_100000210904_100000757475 [0,1,1,0,0,0|1,0,0]=3 5578 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,1,1,0,0,0|1,0,0]=3 5579 B13R1.45 CC(O)CN[C@H](C)c1cnccn1 2230a_100020589798_100011218427 [0,1,1,0,0,0|1,0,0]=3 5580 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,1,1,0,0,0|2,0,0]=4 5581 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,1,1,0,0,0|2,0,0]=4 5582 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,1,1,0,0,0|2,0,0]=4 5583 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,1,1,0,0,0|2,0,0]=4 5584 B13R1.45 CC(O)CSC(C)c1cnccn1 62a_100011218427_200000703233 [0,1,1,0,0,0|2,0,0]=4 5585 B13R1.45 CC(O)CSC(C)c1cnccn1 62a_200000703233_100011218427 [0,1,1,0,0,0|2,0,0]=4 5586 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,1,1,0,0,0|2,0,0]=4 5587 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,1,1,0,0,0|2,0,0]=4 5588 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,1,1,0,0,0|2,0,0]=4 5589 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,1,1,0,0,0|2,0,0]=4 5590 B13R1.45 CC(SC[C@@H](C)O)c1cnccn1 62a_100009817552_200000703233 [0,1,1,0,0,0|2,0,0]=4 5591 B13R1.45 CC(SC[C@@H](C)O)c1cnccn1 62a_200000703233_100009817552 [0,1,1,0,0,0|2,0,0]=4 5592 B13R1.45 C[C@@H](NCC(F)F)c1ccccc1 2230a_100000751104_100011934356 [0,1,1,0,0,0|2,0,0]=4 5593 B13R1.45 C[C@@H](NCC(F)F)c1cnccn1 2230a_100020589798_100011934356 [0,1,1,0,0,0|2,0,0]=4 5594 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,1,1,0,0,0|1,0,0]=3 5595 B13R1.45 C[C@@H](O)CN[C@H](C)c1cnccn1 2230a_100020589798_100009817552 [0,1,1,0,0,0|1,0,0]=3 5596 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,1,1,0,0,0|2,0,0]=4 5597 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,1,1,0,0,0|2,0,0]=4 5598 B13R1.47 C#CCN(C)C(C)c1cccnc1 2230a_100000232774_100000038162 [0,1,1,0,0,0|0,0,2]=4 5599 B13R1.47 C=CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210623 [0,1,1,0,0,0|0,0,2]=4 5600 B13R1.47 C=CCN(C)C(C)c1cccnc1 269982a_100000232774_100000210623 [0,1,1,0,0,0|0,0,2]=4 5601 B13R1.47 CC(c1ccccc1)N(C)CCF 2230a_100000195388_100011217306 [0,1,1,0,0,0|2,0,0]=4 5602 B13R1.47 CC(c1ccccc1)N(C)CCF 269982a_100000195388_100011217306 [0,1,1,0,0,0|2,0,0]=4 5603 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [0,1,1,0,0,0|2,0,0]=4 5604 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [0,1,1,0,0,0|2,0,0]=4 5605 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [0,1,1,0,0,0|2,0,0]=4 5606 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [0,1,1,0,0,0|2,0,0]=4 5607 B13R1.47 CC(c1cccnc1)N(C)CC#N 2230a_100000232774_100011215382 [0,1,1,0,0,0|1,0,1]=4 5608 B13R1.47 CC(c1cccnc1)N(C)CC#N 269982a_100000232774_100011214920 [0,1,1,0,0,0|1,0,1]=4 5609 B13R1.47 CC(c1cccnc1)N(C)CC=O 2230a_100000232774_200015260668 [0,1,1,0,0,0|1,0,1]=4 5610 B13R1.47 CC(c1cccnc1)N(C)CC=O 269982a_100000232774_200015260668 [0,1,1,0,0,0|1,0,1]=4 5611 B13R1.47 CC(c1cccnc1)N(C)CCF 2230a_100000232774_100011217306 [0,1,1,0,0,0|1,0,0]=3 5612 B13R1.47 CC(c1cccnc1)N(C)CCF 269982a_100000232774_100011217306 [0,1,1,0,0,0|1,0,0]=3 5613 B13R1.47 CC(c1cccnc1)N(C)CCO 2230a_100000232774_100000211926 [0,1,1,0,0,0|1,0,0]=3 5614 B13R1.47 CC(c1cccnc1)N(C)CCO 269982a_100000232774_100000211926 [0,1,1,0,0,0|1,0,0]=3 5615 B13R1.47 CC(c1cnccn1)N(C)CCO 2230a_100000210263_200000703233 [0,1,1,0,0,0|2,0,0]=4 5616 B13R1.47 CC(c1cnccn1)N(C)CCO 269982a_100000210263_200000703233 [0,1,1,0,0,0|2,0,0]=4 5617 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,1,1,0,0,0|2,0,0]=4 5618 B13R1.47 CCCC(=O)C(C)c1cnccn1 1458a_100000211992_200000703233 [0,1,1,0,0,0|2,0,0]=4 5619 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,1,1,0,0,0|2,0,0]=4 5620 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,1,1,0,0,0|1,0,0]=3 5621 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,1,1,0,0,0|1,0,0]=3 5622 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,1,1,0,0,0|1,0,0]=3 5623 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,1,1,0,0,0|1,0,0]=3 5624 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,1,1,0,0,0|1,0,0]=3 5625 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,1,1,0,0,0|1,0,0]=3 5626 B13R1.47 CCCN(C)C(C)c1ccccn1 2230a_100000231138_100000210303 [0,1,1,0,0,0|2,0,0]=4 5627 B13R1.47 CCCN(C)C(C)c1ccccn1 269982a_100000231138_100000210303 [0,1,1,0,0,0|2,0,0]=4 5628 B13R1.47 CCCN(C)C(C)c1cccnc1 2230a_100000232774_100000210303 [0,1,1,0,0,0|0,0,0]=2 5629 B13R1.47 CCCN(C)C(C)c1cccnc1 269982a_100000232774_100000210303 [0,1,1,0,0,0|0,0,0]=2 5630 B13R1.47 CCCN(C)C(C)c1ccncc1 2230a_100000231139_100000210303 [0,1,1,0,0,0|2,0,0]=4 5631 B13R1.47 CCCN(C)C(C)c1ccncc1 269982a_100000231139_100000210303 [0,1,1,0,0,0|2,0,0]=4 5632 B13R1.47 CCCN(C)C(C)c1cnccn1 2230a_100000747261_200000703233 [0,1,1,0,0,0|1,0,0]=3 5633 B13R1.47 CCCN(C)C(C)c1cnccn1 269982a_100000747261_200000703233 [0,1,1,0,0,0|1,0,0]=3 5634 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,1,1,0,0,0|1,0,0]=3 5635 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,1,1,0,0,0|1,0,0]=3 5636 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,1,1,0,0,0|2,0,0]=4 5637 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,1,1,0,0,0|2,0,0]=4 5638 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,1,1,0,0,0|2,0,0]=4 5639 B13R1.47 COCN(C)C(C)c1cccnc1 2230a_100000232774_100000766300 [0,1,1,0,0,0|1,0,0]=3 5640 B13R1.47 COCN(C)C(C)c1cccnc1 269982a_100000232774_100000766300 [0,1,1,0,0,0|1,0,0]=3 5641 B13R1.47 CSCN(C)C(C)c1ccccc1 2230a_100000195388_100011218213 [0,1,1,0,0,0|2,0,0]=4 5642 B13R1.47 CSCN(C)C(C)c1ccccc1 269982a_100000195388_100011218213 [0,1,1,0,0,0|2,0,0]=4 5643 B13R1.47 CSCN(C)C(C)c1cccnc1 2230a_100000232774_100011218213 [0,1,1,0,0,0|1,0,0]=3 5644 B13R1.47 CSCN(C)C(C)c1cccnc1 269982a_100000232774_100011218213 [0,1,1,0,0,0|1,0,0]=3 5645 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [0,1,1,0,0,0|2,0,0]=4 5646 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [0,1,1,0,0,0|2,0,0]=4 5647 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [0,1,1,0,0,0|2,0,0]=4 5648 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [0,1,1,0,0,0|2,0,0]=4 5649 B13R1.122 C#CCNC(C)(C)c1cccnc1 2230a_100011376175_100000038162 [0,1,1,0,0,0|0,0,2]=4 5650 B13R1.122 C=CCNC(C)(C)c1cccnc1 2230a_100011376175_100000210623 [0,1,1,0,0,0|0,0,2]=4 5651 B13R1.122 CC(C)(NCC#N)c1cccnc1 2230a_100011376175_100011215382 [0,1,1,0,0,0|1,0,1]=4 5652 B13R1.122 CC(C)(NCC=O)c1cccnc1 2230a_100011376175_200015260668 [0,1,1,0,0,0|1,0,1]=4 5653 B13R1.122 CC(C)(NCCF)c1ccccc1 2230a_100011218174_100011217306 [0,1,1,0,0,0|2,0,0]=4 5654 B13R1.122 CC(C)(NCCF)c1cccnc1 2230a_100011376175_100011217306 [0,1,1,0,0,0|1,0,0]=3 5655 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100011218174_100000211926 [0,1,1,0,0,0|2,0,0]=4 5656 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100016997473_100000034625 [0,1,1,0,0,0|2,0,0]=4 5657 B13R1.122 CC(C)(NCCO)c1cccnc1 2230a_100011376175_100000211926 [0,1,1,0,0,0|1,0,0]=3 5658 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,1,1,0,0,0|1,0,0]=3 5659 B13R1.122 CCCNC(C)(C)c1ccccn1 2230a_100011999416_100000210303 [0,1,1,0,0,0|2,0,0]=4 5660 B13R1.122 CCCNC(C)(C)c1cccnc1 2230a_100011376175_100000210303 [0,1,1,0,0,0|0,0,0]=2 5661 B13R1.122 CCCNS(=O)(=O)c1cccnc1 270084a_100020643023_100000736704 [0,1,1,0,0,0|2,0,0]=4 5662 B13R1.122 CCCNS(=O)(=O)c1cccnc1 274078a_100020643023_100000736704 [0,1,1,0,0,0|2,0,0]=4 5663 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,1,1,0,0,0|2,0,0]=4 5664 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,1,1,0,0,0|2,0,0]=4 5665 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,1,1,0,0,0|2,0,0]=4 5666 B13R1.122 COCNC(C)(C)c1ccccc1 2230a_100011218174_100000766300 [0,1,1,0,0,0|2,0,0]=4 5667 B13R1.122 COCNC(C)(C)c1cccnc1 2230a_100011376175_100000766300 [0,1,1,0,0,0|1,0,0]=3 5668 B13R1.122 CSCNC(C)(C)c1ccccc1 2230a_100011218174_100011218213 [0,1,1,0,0,0|2,0,0]=4 5669 B13R1.122 CSCNC(C)(C)c1cccnc1 2230a_100011376175_100011218213 [0,1,1,0,0,0|1,0,0]=3 5670 B13R1.674 C#CCNC(C)c1cccnc1O 2230a_100159269580_100000038162 [0,1,1,0,0,0|0,0,2]=4 5671 B13R1.674 C=CCNC(C)c1cccnc1O 2230a_100159269580_100000210623 [0,1,1,0,0,0|0,0,2]=4 5672 B13R1.674 CC(NCC#N)c1cccnc1O 2230a_100159269580_100011215382 [0,1,1,0,0,0|1,0,1]=4 5673 B13R1.674 CC(NCC=O)c1cccnc1O 2230a_100159269580_200015260668 [0,1,1,0,0,0|1,0,1]=4 5674 B13R1.674 CC(NCCF)c1ccccc1Br 2230a_100000181357_100011217306 [0,1,1,0,0,0|2,0,0]=4 5675 B13R1.674 CC(NCCF)c1ccccc1Br 269862a_100000724931_100000187085 [0,1,1,0,0,0|2,0,0]=4 5676 B13R1.674 CC(NCCF)c1ccccc1Cl 2230a_100000174978_100011217306 [0,1,1,0,0,0|2,0,0]=4 5677 B13R1.674 CC(NCCF)c1ccccc1Cl 269862a_100000724931_100000210134 [0,1,1,0,0,0|2,0,0]=4 5678 B13R1.674 CC(NCCF)c1ccccc1Cl 34a_100000174978_100011217306 [0,1,1,0,0,0|2,0,0]=4 5679 B13R1.674 CC(NCCF)c1ccccc1F 2230a_100000181408_100011217306 [0,1,1,0,0,0|2,0,0]=4 5680 B13R1.674 CC(NCCF)c1ccccc1F 269862a_100000724931_100000210632 [0,1,1,0,0,0|2,0,0]=4 5681 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000181408_100011217306 [0,1,1,0,0,0|2,0,0]=4 5682 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000724931_200000741388 [0,1,1,0,0,0|2,0,0]=4 5683 B13R1.674 CC(NCCF)c1ccccc1I 269862a_100000724931_100000751169 [0,1,1,0,0,0|2,0,0]=4 5684 B13R1.674 CC(NCCF)c1cccnc1O 2230a_100159269580_100011217306 [0,1,1,0,0,0|1,0,0]=3 5685 B13R1.674 CC(NCCF)c1cnccc1Cl 269862a_100000724931_100160469449 [0,1,1,0,0,0|1,0,0]=3 5686 B13R1.674 CC(NCCF)c1nccnc1Cl 269862a_100000724931_100000099859 [0,1,1,0,0,0|2,0,0]=4 5687 B13R1.674 CC(NCCO)c1ccccc1Br 2230a_100000181357_100000211926 [0,1,1,0,0,0|2,0,0]=4 5688 B13R1.674 CC(NCCO)c1ccccc1Br 269862a_100000210304_100000187085 [0,1,1,0,0,0|2,0,0]=4 5689 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100000174978_100000211926 [0,1,1,0,0,0|2,0,0]=4 5690 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100016997473_100000181259 [0,1,1,0,0,0|2,0,0]=4 5691 B13R1.674 CC(NCCO)c1ccccc1Cl 269862a_100000210304_100000210134 [0,1,1,0,0,0|2,0,0]=4 5692 B13R1.674 CC(NCCO)c1ccccc1Cl 34a_100000174978_100000211926 [0,1,1,0,0,0|2,0,0]=4 5693 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100000181408_100000211926 [0,1,1,0,0,0|2,0,0]=4 5694 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100016997473_200000741388 [0,1,1,0,0,0|2,0,0]=4 5695 B13R1.674 CC(NCCO)c1ccccc1F 269862a_100000210304_100000210632 [0,1,1,0,0,0|2,0,0]=4 5696 B13R1.674 CC(NCCO)c1ccccc1F 34a_100000181408_100000211926 [0,1,1,0,0,0|2,0,0]=4 5697 B13R1.674 CC(NCCO)c1ccccc1F 34a_100016990907_200000741388 [0,1,1,0,0,0|2,0,0]=4 5698 B13R1.674 CC(NCCO)c1ccccc1I 269862a_100000210304_100000751169 [0,1,1,0,0,0|2,0,0]=4 5699 B13R1.674 CC(NCCO)c1cccnc1O 2230a_100159269580_100000211926 [0,1,1,0,0,0|1,0,0]=3 5700 B13R1.674 CC(NCCO)c1cnccc1Cl 269862a_100000210304_100160469449 [0,1,1,0,0,0|1,0,0]=3 5701 B13R1.674 CC(NCCO)c1nccnc1Cl 269862a_100000210304_100000099859 [0,1,1,0,0,0|2,0,0]=4 5702 B13R1.674 CC(OCCF)c1cccnc1Cl 34a_100009865335_100011217306 [0,1,1,0,0,0|2,0,0]=4 5703 B13R1.674 CC(OCCF)c1cccnc1Cl 7a_100009865335_100011217306 [0,1,1,0,0,0|2,0,0]=4 5704 B13R1.674 CC(OCCO)c1cccnc1Cl 34a_100009865335_100000211926 [0,1,1,0,0,0|2,0,0]=4 5705 B13R1.674 CC(OCCO)c1cccnc1Cl 7a_100009865335_100000211926 [0,1,1,0,0,0|2,0,0]=4 5706 B13R1.674 CCCNC(=O)c1cccnc1O 271570a_203496583355_100000161721 [0,1,1,0,0,0|1,0,1]=4 5707 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,1,1,0,0,0|1,0,0]=3 5708 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,1,1,0,0,0|1,0,0]=3 5709 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,1,1,0,0,0|1,0,0]=3 5710 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,1,1,0,0,0|1,0,0]=3 5711 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,1,1,0,0,0|1,0,0]=3 5712 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,1,1,0,0,0|1,0,0]=3 5713 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,1,1,0,0,0|1,0,0]=3 5714 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,1,1,0,0,0|1,0,0]=3 5715 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,1,1,0,0,0|1,0,0]=3 5716 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,1,1,0,0,0|1,0,0]=3 5717 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,1,1,0,0,0|1,0,0]=3 5718 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,1,1,0,0,0|1,0,0]=3 5719 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,1,1,0,0,0|1,0,0]=3 5720 B13R1.674 CCCNC(C)c1cccnc1C 269862a_100020643023_100011995960 [0,1,1,0,0,0|0,0,0]=2 5721 B13R1.674 CCCNC(C)c1cccnc1O 2230a_100159269580_100000210303 [0,1,1,0,0,0|0,0,0]=2 5722 B13R1.674 CCCNC(C)c1ccncc1Br 269862a_100020643023_100009993184 [0,1,1,0,0,0|2,0,0]=4 5723 B13R1.674 CCCNC(C)c1ccncc1Cl 269862a_100020643023_100012001414 [0,1,1,0,0,0|2,0,0]=4 5724 B13R1.674 CCCNC(C)c1ccncc1F 269862a_100020643023_100000727669 [0,1,1,0,0,0|2,0,0]=4 5725 B13R1.674 CCCNC(C)c1cnccc1C 269862a_100020643023_100000693228 [0,1,1,0,0,0|0,0,0]=2 5726 B13R1.674 CCCNC(C)c1cnccc1Cl 269862a_100020643023_100160469449 [0,1,1,0,0,0|0,0,0]=2 5727 B13R1.674 CCCNC(C)c1ncccc1Br 2230a_100159271932_100000210303 [0,1,1,0,0,0|2,0,0]=4 5728 B13R1.674 CCCNC(C)c1ncccc1Br 269862a_100020643023_100012348690 [0,1,1,0,0,0|2,0,0]=4 5729 B13R1.674 CCCNC(C)c1ncccc1C 2230a_100011536111_100000210303 [0,1,1,0,0,0|2,0,0]=4 5730 B13R1.674 CCCNC(C)c1ncccc1C 269862a_100020643023_100011536074 [0,1,1,0,0,0|2,0,0]=4 5731 B13R1.674 CCCNC(C)c1ncccc1Cl 269862a_100020643023_100015267551 [0,1,1,0,0,0|2,0,0]=4 5732 B13R1.674 CCCNC(C)c1ncccc1F 269862a_100020643023_100011997767 [0,1,1,0,0,0|2,0,0]=4 5733 B13R1.674 CCCNC(C)c1ncccc1I 269862a_100020643023_200015599370 [0,1,1,0,0,0|2,0,0]=4 5734 B13R1.674 CCCNC(C)c1nccnc1C 269862a_100020643023_100000702048 [0,1,1,0,0,0|1,0,0]=3 5735 B13R1.674 CCCNC(C)c1nccnc1Cl 269862a_100020643023_100000099859 [0,1,1,0,0,0|1,0,0]=3 5736 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,1,1,0,0,0|1,0,0]=3 5737 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,1,1,0,0,0|2,0,0]=4 5738 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,1,1,0,0,0|2,0,0]=4 5739 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,1,1,0,0,0|2,0,0]=4 5740 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,1,1,0,0,0|2,0,0]=4 5741 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,1,1,0,0,0|2,0,0]=4 5742 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,1,1,0,0,0|2,0,0]=4 5743 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,1,1,0,0,0|2,0,0]=4 5744 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,1,1,0,0,0|2,0,0]=4 5745 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,1,1,0,0,0|2,0,0]=4 5746 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,1,1,0,0,0|2,0,0]=4 5747 B13R1.674 CCCOC(C)c1cccnc1Cl 34a_100009865335_100000210303 [0,1,1,0,0,0|1,0,0]=3 5748 B13R1.674 CCCOC(C)c1cccnc1Cl 7a_100009865335_100000210303 [0,1,1,0,0,0|1,0,0]=3 5749 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,1,1,0,0,0|2,0,0]=4 5750 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,1,1,0,0,0|2,0,0]=4 5751 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,1,1,0,0,0|2,0,0]=4 5752 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,1,1,0,0,0|2,0,0]=4 5753 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [0,1,1,0,0,0|2,0,0]=4 5754 B13R1.674 CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210202 [0,1,1,0,0,0|2,0,0]=4 5755 B13R1.674 CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210202 [0,1,1,0,0,0|2,0,0]=4 5756 B13R1.674 COCCC(N)c1ccccc1Cl 34a_100011661560_200000210301 [0,1,1,0,0,0|2,0,0]=4 5757 B13R1.674 COCCC(N)c1ccccc1F 34a_100011661569_200000210301 [0,1,1,0,0,0|2,0,0]=4 5758 B13R1.674 COCNC(C)c1ccccc1Br 2230a_100000181357_100000766300 [0,1,1,0,0,0|2,0,0]=4 5759 B13R1.674 COCNC(C)c1ccccc1C 2230a_100000181355_100000766300 [0,1,1,0,0,0|2,0,0]=4 5760 B13R1.674 COCNC(C)c1ccccc1Cl 2230a_100000174978_100000766300 [0,1,1,0,0,0|2,0,0]=4 5761 B13R1.674 COCNC(C)c1ccccc1F 2230a_100000181408_100000766300 [0,1,1,0,0,0|2,0,0]=4 5762 B13R1.674 COCNC(C)c1cccnc1O 2230a_100159269580_100000766300 [0,1,1,0,0,0|1,0,0]=3 5763 B13R1.674 COCN[C@H](C)c1ccccc1O 2230a_100025703389_100000766300 [0,1,1,0,0,0|2,0,0]=4 5764 B13R1.674 CSCNC(C)c1ccccc1Br 2230a_100000181357_100011218213 [0,1,1,0,0,0|2,0,0]=4 5765 B13R1.674 CSCNC(C)c1ccccc1C 2230a_100000181355_100011218213 [0,1,1,0,0,0|2,0,0]=4 5766 B13R1.674 CSCNC(C)c1ccccc1C 34a_100000181355_100011218213 [0,1,1,0,0,0|2,0,0]=4 5767 B13R1.674 CSCNC(C)c1ccccc1Cl 2230a_100000174978_100011218213 [0,1,1,0,0,0|2,0,0]=4 5768 B13R1.674 CSCNC(C)c1ccccc1Cl 34a_100000174978_100011218213 [0,1,1,0,0,0|2,0,0]=4 5769 B13R1.674 CSCNC(C)c1ccccc1F 2230a_100000181408_100011218213 [0,1,1,0,0,0|2,0,0]=4 5770 B13R1.674 CSCNC(C)c1ccccc1F 34a_100000181408_100011218213 [0,1,1,0,0,0|2,0,0]=4 5771 B13R1.674 CSCNC(C)c1cccnc1O 2230a_100159269580_100011218213 [0,1,1,0,0,0|1,0,0]=3 5772 B13R1.674 CSCN[C@H](C)c1ccccc1O 2230a_100025703389_100011218213 [0,1,1,0,0,0|2,0,0]=4 5773 B13R1.674 CSCOC(C)c1cccnc1Cl 34a_100009865335_100011218213 [0,1,1,0,0,0|2,0,0]=4 5774 B13R1.674 C[C@@H](NCCF)c1ccccc1O 2230a_100025703389_100011217306 [0,1,1,0,0,0|2,0,0]=4 5775 B13R1.674 C[C@@H](NCCO)c1ccccc1O 2230a_100025703389_100000211926 [0,1,1,0,0,0|2,0,0]=4 5776 B13R1.674 Cc1ccccc1C(C)NCCF 2230a_100000181355_100011217306 [0,1,1,0,0,0|2,0,0]=4 5777 B13R1.674 Cc1ccccc1C(C)NCCF 269862a_100000724931_100000211656 [0,1,1,0,0,0|2,0,0]=4 5778 B13R1.674 Cc1ccccc1C(C)NCCF 34a_100000181355_100011217306 [0,1,1,0,0,0|2,0,0]=4 5779 B13R1.674 Cc1ccccc1C(C)NCCO 2230a_100000181355_100000211926 [0,1,1,0,0,0|2,0,0]=4 5780 B13R1.674 Cc1ccccc1C(C)NCCO 269862a_100000210304_100000211656 [0,1,1,0,0,0|2,0,0]=4 5781 B13R1.674 Cc1ccccc1C(C)NCCO 34a_100000181355_100000211926 [0,1,1,0,0,0|2,0,0]=4 5782 B13R1.674 Cc1ccncc1C(C)NCCF 269862a_100000724931_100000693228 [0,1,1,0,0,0|1,0,0]=3 5783 B13R1.674 Cc1ccncc1C(C)NCCO 269862a_100000210304_100000693228 [0,1,1,0,0,0|1,0,0]=3 5784 B13R1.674 Cc1ncccc1C(C)NCCF 269862a_100000724931_100011995960 [0,1,1,0,0,0|1,0,0]=3 5785 B13R1.674 Cc1ncccc1C(C)NCCO 269862a_100000210304_100011995960 [0,1,1,0,0,0|1,0,0]=3 5786 B13R1.674 Cc1nccnc1C(C)NCCF 269862a_100000724931_100000702048 [0,1,1,0,0,0|2,0,0]=4 5787 B13R1.674 Cc1nccnc1C(C)NCCO 269862a_100000210304_100000702048 [0,1,1,0,0,0|2,0,0]=4 5788 B13R1.674 [13CH3]OCCC(N)c1ccccc1Cl 34a_100011661560_200025704644 [0,1,1,0,0,0|2,0,0]=4 5789 B13R1.674 [13CH3]OCCC(N)c1ccccc1F 34a_100011661569_200025704644 [0,1,1,0,0,0|2,0,0]=4 5790 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,1,0,0,1,0|2,0,0]=4 5791 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,1,0,0,1,0|2,0,0]=4 5792 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,1,0,0,1,0|2,0,0]=4 5793 B13R2.10 CN1CCC(C1)c2cccnc2 2230a_200015204282_200000210301 [0,1,0,0,1,0|1,0,0]=3 5794 B13R2.10 CN1CCC(C1)c2cccnc2 269982a_200015204282_200000210301 [0,1,0,0,1,0|1,0,0]=3 5795 B13R2.10 CN1CCC(C1)c2cncnc2 2230a_100025749470_200000210301 [0,1,0,0,1,0|2,0,0]=4 5796 B13R2.10 CN1CCC(C1)c2cncnc2 269982a_100025749470_200000210301 [0,1,0,0,1,0|2,0,0]=4 5797 B13R2.10 C[C@@H]1CCN(C1)c2cccnn2 27a_100016987628_100016991348 [0,1,0,0,1,0|2,0,0]=4 5798 B13R2.10 C[C@@H]1CCN(C1)c2cnccn2 27a_100016987628_100000211759 [0,1,0,0,1,0|2,0,0]=4 5799 B13R2.10 Cn1cc(nn1)C2CCCCN2 274090a_200000210301_200020621307 [0,1,0,0,1,0|2,0,0]=4 5800 B13R2.10 F[C@H]1CCN(C1)c2cccnn2 27a_100015203821_100016991348 [0,1,0,0,1,0|2,0,0]=4 5801 B13R2.10 F[C@H]1CCN(C1)c2cnccn2 27a_100015203821_100000211759 [0,1,0,0,1,0|2,0,0]=4 5802 B13R2.10 OC1CCN(C1)c2cccnn2 27a_100011215560_100016991348 [0,1,0,0,1,0|2,0,0]=4 5803 B13R2.10 OC1CCN(C1)c2cnccn2 27a_100011215560_100000211759 [0,1,0,0,1,0|2,0,0]=4 5804 B13R2.10 Oc1ccc(s1)C2CNCCN2 271570a_203496583355_200010163162 [0,1,0,0,1,0|2,0,0]=4 5805 B13R2.10 Oc1ccn(n1)C2CCCCO2 271570a_203496583355_100009817197 [0,1,0,0,1,0|2,0,0]=4 5806 B13R2.10 Oc1cnn(c1)C2CCCCC2 271570a_203496583355_100011400218 [0,1,0,0,1,0|2,0,0]=4 5807 B13R2.10 Oc1cnn(c1)C2CCCCO2 271570a_203496583355_100010117101 [0,1,0,0,1,0|2,0,0]=4 5808 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,1,0,0,1,0|2,0,0]=4 5809 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,1,0,0,1,0|2,0,0]=4 5810 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,1,0,0,1,0|2,0,0]=4 5811 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 2230a_200015204282_200025704644 [0,1,0,0,1,0|1,0,0]=3 5812 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 269982a_200015204282_200025704644 [0,1,0,0,1,0|1,0,0]=3 5813 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 2230a_100025749470_200025704644 [0,1,0,0,1,0|2,0,0]=4 5814 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 269982a_100025749470_200025704644 [0,1,0,0,1,0|2,0,0]=4 5815 B13R2.10 [13CH3]n1cc(nn1)C2CCCCN2 274090a_200025704644_200020621307 [0,1,0,0,1,0|2,0,0]=4 5816 B13R2.12 Brc1ccc(cn1)C2=CCCC2 271570a_100000089523_100009814638 [0,1,0,0,1,0|0,0,2]=4 5817 B13R2.12 Brc1cnc(cn1)N2CCCC2 27a_100000188435_100010187541 [0,1,0,0,1,0|2,0,0]=4 5818 B13R2.12 Cc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000751577 [0,1,0,0,1,0|0,0,2]=4 5819 B13R2.12 Cc1ccc(nn1)N2CCCC2 27a_100000188435_100000744512 [0,1,0,0,1,0|2,0,0]=4 5820 B13R2.12 Cc1cnc(cn1)N2CCCC2 27a_100000188435_100000074397 [0,1,0,0,1,0|2,0,0]=4 5821 B13R2.12 Clc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000034144 [0,1,0,0,1,0|0,0,2]=4 5822 B13R2.12 Fc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000748661 [0,1,0,0,1,0|0,0,2]=4 5823 B13R2.12 Fc1cnc(cn1)N2CCCC2 27a_100000188435_100009856528 [0,1,0,0,1,0|2,0,0]=4 5824 B13R2.12 Nc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000187370 [0,1,0,0,1,0|0,0,2]=4 5825 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,1,0,0,1,0|1,0,0]=3 5826 B13R2.12 Oc1ccc(cc1)N2CCCC2 271570a_203496583355_100011821362 [0,1,0,0,1,0|2,0,0]=4 5827 B13R2.12 Oc1ccc(nc1)C2CCCN2 271570a_203496583355_100000728117 [0,1,0,0,1,0|2,0,0]=4 5828 B13R2.12 Oc1ccc(nn1)N2CCCC2 271570a_203496583355_100000215317 [0,1,0,0,1,0|2,0,0]=4 5829 B13R2.12 Oc1cnc(cn1)N2CCCC2 271570a_203496583355_100012356707 [0,1,0,0,1,0|2,0,0]=4 5830 B13R2.13 Brc1cncc(c1)C2=CCCC2 271570a_100000089523_100000728054 [0,1,0,0,1,0|0,0,2]=4 5831 B13R2.13 Cc1cncc(c1)C2=CCCC2 271570a_100000089523_100000760492 [0,1,0,0,1,0|0,0,2]=4 5832 B13R2.13 Cc1cncc(n1)N2CCCC2 27a_100000188435_100000754123 [0,1,0,0,1,0|2,0,0]=4 5833 B13R2.13 Cc1cnnc(c1)N2CCCC2 27a_100000188435_100000070100 [0,1,0,0,1,0|2,0,0]=4 5834 B13R2.13 Clc1cncc(c1)C2=CCCC2 271570a_100000089523_100000049639 [0,1,0,0,1,0|0,0,2]=4 5835 B13R2.13 Clc1cncc(n1)N2CCCC2 27a_100000188435_100010892449 [0,1,0,0,1,0|2,0,0]=4 5836 B13R2.13 Fc1cncc(c1)C2=CCCC2 271570a_100000089523_100000744099 [0,1,0,0,1,0|0,0,2]=4 5837 B13R2.13 Fc1cncc(n1)N2CCCC2 27a_100000188435_200009863489 [0,1,0,0,1,0|2,0,0]=4 5838 B13R2.13 Nc1cncc(c1)C2=CCCC2 271570a_100000089523_100000687067 [0,1,0,0,1,0|0,0,2]=4 5839 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,1,0,0,1,0|1,0,0]=3 5840 B13R2.13 Oc1cccc(c1)N2CCCC2 271570a_203496583355_100020633440 [0,1,0,0,1,0|2,0,0]=4 5841 B13R2.13 Oc1cncc(c1)C2=CCCC2 271570a_100000089523_100000754920 [0,1,0,0,1,0|0,0,2]=4 5842 B13R2.13 Oc1cncc(c1)C2CCCN2 271570a_203496583355_100012340264 [0,1,0,0,1,0|0,0,0]=2 5843 B13R2.13 Oc1cncc(c1)C2OCCO2 271570a_203496583355_100010134100 [0,1,0,0,1,0|2,0,0]=4 5844 B13R2.13 Oc1cncc(c1)N2CCCC2 271570a_203496583355_100011949850 [0,1,0,0,1,0|1,0,0]=3 5845 B13R2.13 Oc1cncc(n1)N2CCCC2 271570a_203496583355_100000243943 [0,1,0,0,1,0|2,0,0]=4 5846 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,1,0,0,1,0|1,0,0]=3 5847 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,1,0,0,1,0|1,0,0]=3 5848 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,1,0,0,1,0|1,0,0]=3 5849 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [0,1,0,0,1,0|2,0,0]=4 5850 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [0,1,0,0,1,0|2,0,0]=4 5851 B13R2.15 CN1CCCC1c2cccnc2 2230a_100000233489_200000210301 [0,1,0,0,1,0|0,0,0]=2 5852 B13R2.15 CN1CCCC1c2cccnc2 269982a_100000233489_200000210301 [0,1,0,0,1,0|0,0,0]=2 5853 B13R2.15 CN1CCCC1c2ccncc2 2230a_106446545576_200000210301 [0,1,0,0,1,0|2,0,0]=4 5854 B13R2.15 CN1CCCC1c2ccncc2 269982a_106446545576_200000210301 [0,1,0,0,1,0|2,0,0]=4 5855 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,1,0,0,1,0|2,0,0]=4 5856 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,1,0,0,1,0|2,0,0]=4 5857 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,1,0,0,1,0|2,0,0]=4 5858 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,1,0,0,1,0|2,0,0]=4 5859 B13R2.15 C[C@@H]1CCCN1c2cccnn2 27a_100015189458_100016991348 [0,1,0,0,1,0|2,0,0]=4 5860 B13R2.15 C[C@@H]1CCCN1c2cnccn2 27a_100015189458_100000211759 [0,1,0,0,1,0|2,0,0]=4 5861 B13R2.15 C[C@H]1CCCN1c2cccnn2 27a_100020605311_100016991348 [0,1,0,0,1,0|2,0,0]=4 5862 B13R2.15 C[C@H]1CCCN1c2cnccn2 27a_100020605311_100000211759 [0,1,0,0,1,0|2,0,0]=4 5863 B13R2.15 Oc1ccnn1C2CCCCO2 271570a_203496583355_200010091601 [0,1,0,0,1,0|2,0,0]=4 5864 B13R2.15 Oc1nccn1C2CCCCO2 271570a_203496583355_100010235065 [0,1,0,0,1,0|2,0,0]=4 5865 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,1,0,0,1,0|1,0,0]=3 5866 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,1,0,0,1,0|1,0,0]=3 5867 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,1,0,0,1,0|1,0,0]=3 5868 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [0,1,0,0,1,0|2,0,0]=4 5869 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [0,1,0,0,1,0|2,0,0]=4 5870 B13R2.15 [13CH3]N1CCCC1c2cccnc2 2230a_100000233489_200025704644 [0,1,0,0,1,0|0,0,0]=2 5871 B13R2.15 [13CH3]N1CCCC1c2cccnc2 269982a_100000233489_200025704644 [0,1,0,0,1,0|0,0,0]=2 5872 B13R2.15 [13CH3]N1CCCC1c2ccncc2 2230a_106446545576_200025704644 [0,1,0,0,1,0|2,0,0]=4 5873 B13R2.15 [13CH3]N1CCCC1c2ccncc2 269982a_106446545576_200025704644 [0,1,0,0,1,0|2,0,0]=4 5874 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,1,0,0,1,0|2,0,0]=4 5875 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,1,0,0,1,0|2,0,0]=4 5876 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,1,0,0,1,0|2,0,0]=4 5877 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,1,0,0,1,0|2,0,0]=4 5878 B13R2.18 Brc1ccncc1C2=CCCC2 271570a_100000089523_100010138639 [0,1,0,0,1,0|0,0,2]=4 5879 B13R2.18 Brc1ncccc1C2=CCCC2 271570a_100000089523_100010202626 [0,1,0,0,1,0|0,0,2]=4 5880 B13R2.18 CN1CCCCC1c2cccs2 2230a_200011804124_200000210301 [0,1,0,0,1,0|1,0,0]=3 5881 B13R2.18 CN1CCCCC1c2cccs2 269982a_200011804124_200000210301 [0,1,0,0,1,0|1,0,0]=3 5882 B13R2.18 CN1CCCCC1c2cccs2 34a_200011804124_200000210301 [0,1,0,0,1,0|1,0,0]=3 5883 B13R2.18 CN1CCCCC1c2nccs2 2230a_100000748947_200000210301 [0,1,0,0,1,0|1,0,0]=3 5884 B13R2.18 CN1CCCCC1c2nccs2 269982a_100000748947_200000210301 [0,1,0,0,1,0|1,0,0]=3 5885 B13R2.18 Cc1ccncc1C2=CCCC2 271570a_100000089523_100000761580 [0,1,0,0,1,0|0,0,2]=4 5886 B13R2.18 Cc1ccnnc1N2CCCC2 27a_100000188435_100000089043 [0,1,0,0,1,0|2,0,0]=4 5887 B13R2.18 Cc1ncccc1C2=CCCC2 271570a_100000089523_100000751574 [0,1,0,0,1,0|0,0,2]=4 5888 B13R2.18 Cc1nccnc1N2CCCC2 27a_100000188435_100011999405 [0,1,0,0,1,0|2,0,0]=4 5889 B13R2.18 Clc1ccncc1C2=CCCC2 271570a_100000089523_100009995489 [0,1,0,0,1,0|0,0,2]=4 5890 B13R2.18 Clc1ncccc1C2=CCCC2 271570a_100000089523_100000036424 [0,1,0,0,1,0|0,0,2]=4 5891 B13R2.18 Fc1ccncc1C2=CCCC2 271570a_100000089523_100009820683 [0,1,0,0,1,0|0,0,2]=4 5892 B13R2.18 Fc1ncccc1C2=CCCC2 271570a_100000089523_100009816115 [0,1,0,0,1,0|0,0,2]=4 5893 B13R2.18 Fc1nccnc1N2CCCC2 27a_100000188435_200010125657 [0,1,0,0,1,0|2,0,0]=4 5894 B13R2.18 Nc1ccncc1C2=CCCC2 271570a_100000089523_100000047001 [0,1,0,0,1,0|0,0,2]=4 5895 B13R2.18 Nc1ncccc1C2=CCCC2 271570a_100000089523_100000045569 [0,1,0,0,1,0|0,0,2]=4 5896 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,0,1,0|1,0,0]=3 5897 B13R2.18 Oc1ccccc1C2CCNC2 271570a_203496583355_100010170462 [0,1,0,0,1,0|2,0,0]=4 5898 B13R2.18 Oc1ccccc1N2CCCC2 271570a_203496583355_100011821364 [0,1,0,0,1,0|2,0,0]=4 5899 B13R2.18 Oc1nccnc1N2CCCC2 271570a_203496583355_200011529397 [0,1,0,0,1,0|2,0,0]=4 5900 B13R2.18 [13CH3]N1CCCCC1c2cccs2 2230a_200011804124_200025704644 [0,1,0,0,1,0|1,0,0]=3 5901 B13R2.18 [13CH3]N1CCCCC1c2cccs2 269982a_200011804124_200025704644 [0,1,0,0,1,0|1,0,0]=3 5902 B13R2.18 [13CH3]N1CCCCC1c2cccs2 34a_200011804124_200025704644 [0,1,0,0,1,0|1,0,0]=3 5903 B13R2.18 [13CH3]N1CCCCC1c2nccs2 2230a_100000748947_200025704644 [0,1,0,0,1,0|1,0,0]=3 5904 B13R2.18 [13CH3]N1CCCCC1c2nccs2 269982a_100000748947_200025704644 [0,1,0,0,1,0|1,0,0]=3 5905 B15R2.29 Brc1ccc(cc1)NC2CCCCC2 34a_100000210018_100000210327 [0,1,0,0,0,1|2,0,0]=4 5906 B15R2.29 Brc1ccc(cc1)OC2CCCCC2 34a_100000185759_100000210327 [0,1,0,0,0,1|2,0,0]=4 5907 B15R2.29 Brc1ccc(cc1)OC2CCCCC2 7a_100000185759_100000210327 [0,1,0,0,0,1|2,0,0]=4 5908 B15R2.29 Brc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000752885 [0,1,0,0,0,1|2,0,0]=4 5909 B15R2.29 Brc1ccc(cc1)SC2CCCCC2 62a_100000752885_100000210327 [0,1,0,0,0,1|2,0,0]=4 5910 B15R2.29 Brc1ccc(cn1)OC2C=CCCC2 7a_100000685995_100000751183 [0,1,0,0,0,1|1,0,1]=4 5911 B15R2.29 Brc1ccc(cn1)OC2CCCCC2 34a_100000685995_100000210327 [0,1,0,0,0,1|1,0,0]=3 5912 B15R2.29 Brc1ccc(cn1)OC2CCCCC2 7a_100000685995_100000210327 [0,1,0,0,0,1|1,0,0]=3 5913 B15R2.29 Brc1ccc(cn1)OC2CCCOC2 34a_100000685995_100000693364 [0,1,0,0,0,1|2,0,0]=4 5914 B15R2.29 Brc1ccc(cn1)OC2CCCOC2 7a_100000685995_100000693364 [0,1,0,0,0,1|2,0,0]=4 5915 B15R2.29 Brc1ccc(cn1)OC2CCOCC2 7a_100000685995_100000686592 [0,1,0,0,0,1|2,0,0]=4 5916 B15R2.29 Brc1ccc(cn1)OC2CCSCC2 34a_100000685995_100000069128 [0,1,0,0,0,1|2,0,0]=4 5917 B15R2.29 Brc1ccc(cn1)OC2CCSCC2 7a_100000685995_100011500858 [0,1,0,0,0,1|2,0,0]=4 5918 B15R2.29 Brc1ccc(cn1)SC2C=CCCC2 62a_100000751183_100009814638 [0,1,0,0,0,1|1,0,1]=4 5919 B15R2.29 Brc1ccc(cn1)SC2C=CCCC2 62a_100009814638_100000751183 [0,1,0,0,0,1|1,0,1]=4 5920 B15R2.29 Brc1ccc(cn1)SC2CCCCC2 62a_100000210327_100009814638 [0,1,0,0,0,1|1,0,0]=3 5921 B15R2.29 Brc1ccc(cn1)SC2CCCCC2 62a_100009814638_100000210327 [0,1,0,0,0,1|1,0,0]=3 5922 B15R2.29 Brc1ccc(cn1)SC2CCCOC2 62a_100009814638_100000693364 [0,1,0,0,0,1|2,0,0]=4 5923 B15R2.29 Brc1ccc(cn1)SC2CCOCC2 62a_100009814638_100011324220 [0,1,0,0,0,1|2,0,0]=4 5924 B15R2.29 Brc1ccc(cn1)SC2CCSCC2 62a_100009814638_100000069128 [0,1,0,0,0,1|2,0,0]=4 5925 B15R2.29 Brc1cnc(cn1)NC2CCCCC2 27a_100000182618_100010187541 [0,1,0,0,0,1|2,0,0]=4 5926 B15R2.29 Brc1cnc(cn1)OC2CCCCC2 34a_100011934580_100000210327 [0,1,0,0,0,1|2,0,0]=4 5927 B15R2.29 Brc1cnc(cn1)SC2CCCCC2 62a_100000210327_100010187541 [0,1,0,0,0,1|2,0,0]=4 5928 B15R2.29 Brc1cnc(cn1)SC2CCCCC2 62a_100010187541_100000210327 [0,1,0,0,0,1|2,0,0]=4 5929 B15R2.29 Brc1ncc(cn1)OC2CCCCC2 34a_100000730009_100000210327 [0,1,0,0,0,1|2,0,0]=4 5930 B15R2.29 Brc1ncc(cn1)OC2CCCCC2 7a_100000730009_100000210327 [0,1,0,0,0,1|2,0,0]=4 5931 B15R2.29 Brc1ncc(cn1)SC2CCCCC2 62a_100000210327_200012349914 [0,1,0,0,0,1|2,0,0]=4 5932 B15R2.29 Brc1ncc(cn1)SC2CCCCC2 62a_200012349914_100000210327 [0,1,0,0,0,1|2,0,0]=4 5933 B15R2.29 CC1CCC(CC1)Nc2ccccc2 34a_100000106764_200011216234 [0,1,0,0,0,1|2,0,0]=4 5934 B15R2.29 CC1CCC(CC1)Oc2ccccc2 34a_100000210340_200011216234 [0,1,0,0,0,1|2,0,0]=4 5935 B15R2.29 CC1CCC(CC1)Oc2cccnc2 34a_100000210849_200011216234 [0,1,0,0,0,1|1,0,0]=3 5936 B15R2.29 CC1CCC(CC1)Oc2ccnnc2 34a_100015204005_200011216234 [0,1,0,0,0,1|2,0,0]=4 5937 B15R2.29 CC1CCC(CC1)Sc2ccccc2 62a_100000719477_200011216234 [0,1,0,0,0,1|2,0,0]=4 5938 B15R2.29 CC1CCC(CC1)Sc2cccnc2 62a_100000210063_200011216234 [0,1,0,0,0,1|1,0,0]=3 5939 B15R2.29 CC1CCC(CC1)Sc2cccnn2 62a_100016991348_200011216234 [0,1,0,0,0,1|2,0,0]=4 5940 B15R2.29 CC1CCC(CC1)Sc2ccnnc2 62a_100000732662_200011216234 [0,1,0,0,0,1|2,0,0]=4 5941 B15R2.29 CC1CCC(CC1)Sc2cnccn2 62a_100000211759_200011216234 [0,1,0,0,0,1|2,0,0]=4 5942 B15R2.29 CC1CCC(CC1)Sc2cncnc2 62a_100011206942_200011216234 [0,1,0,0,0,1|2,0,0]=4 5943 B15R2.29 CC1CCN(CC1)Cc2cccnc2 2230a_100000188429_100000741622 [0,1,0,0,0,1|2,0,0]=4 5944 B15R2.29 CC1CCN(CC1)Cc2cccnc2 269982a_100000188429_100000733263 [0,1,0,0,0,1|2,0,0]=4 5945 B15R2.29 CC1CCN(CC1)Cc2cccnc2 270004a_100000188429_100000209961 [0,1,0,0,0,1|2,0,0]=4 5946 B15R2.29 CC1CCN(CC1)Cc2cccnc2 34a_100000188429_100000733263 [0,1,0,0,0,1|2,0,0]=4 5947 B15R2.29 CN1CCC(CC1)Oc2cccnc2 2230a_100015186544_200000210301 [0,1,0,0,0,1|2,0,0]=4 5948 B15R2.29 CN1CCC(CC1)Oc2cccnc2 269982a_100015186544_200000210301 [0,1,0,0,0,1|2,0,0]=4 5949 B15R2.29 CN1CCC(CC1)Sc2cccnc2 62a_100000210063_100011215917 [0,1,0,0,0,1|2,0,0]=4 5950 B15R2.29 C[C@H]1CC[C@@H](CC1)Nc2cccnn2 27a_100020625639_100016991348 [0,1,0,0,0,1|2,0,0]=4 5951 B15R2.29 C[C@H]1CC[C@@H](CC1)Nc2cnccn2 27a_100020625639_100000211759 [0,1,0,0,0,1|2,0,0]=4 5952 B15R2.29 Cc1ccc(cc1)NC2CCCCC2 34a_100000124888_100000210327 [0,1,0,0,0,1|2,0,0]=4 5953 B15R2.29 Cc1ccc(cc1)OC2CCCCC2 34a_100000210336_100000210327 [0,1,0,0,0,1|2,0,0]=4 5954 B15R2.29 Cc1ccc(cc1)OC2CCCCC2 7a_100000210336_100000210327 [0,1,0,0,0,1|2,0,0]=4 5955 B15R2.29 Cc1ccc(cc1)SC2CCCCC2 62a_100000186775_100000210327 [0,1,0,0,0,1|2,0,0]=4 5956 B15R2.29 Cc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000186775 [0,1,0,0,0,1|2,0,0]=4 5957 B15R2.29 Cc1ccc(cn1)OC2C=CCCC2 7a_100000745506_100000751183 [0,1,0,0,0,1|1,0,1]=4 5958 B15R2.29 Cc1ccc(cn1)OC2CCCCC2 34a_100000745506_100000210327 [0,1,0,0,0,1|1,0,0]=3 5959 B15R2.29 Cc1ccc(cn1)OC2CCCCC2 7a_100000745506_100000210327 [0,1,0,0,0,1|1,0,0]=3 5960 B15R2.29 Cc1ccc(cn1)OC2CCCOC2 34a_100000745506_100000693364 [0,1,0,0,0,1|2,0,0]=4 5961 B15R2.29 Cc1ccc(cn1)OC2CCCOC2 7a_100000745506_100000693364 [0,1,0,0,0,1|2,0,0]=4 5962 B15R2.29 Cc1ccc(cn1)OC2CCOCC2 7a_100000745506_100000686592 [0,1,0,0,0,1|2,0,0]=4 5963 B15R2.29 Cc1ccc(cn1)OC2CCSCC2 34a_100000745506_100000069128 [0,1,0,0,0,1|2,0,0]=4 5964 B15R2.29 Cc1ccc(cn1)OC2CCSCC2 7a_100000745506_100011500858 [0,1,0,0,0,1|2,0,0]=4 5965 B15R2.29 Cc1ccc(cn1)SC2C=CCCC2 62a_100000751183_100000751577 [0,1,0,0,0,1|1,0,1]=4 5966 B15R2.29 Cc1ccc(cn1)SC2C=CCCC2 62a_100000751577_100000751183 [0,1,0,0,0,1|1,0,1]=4 5967 B15R2.29 Cc1ccc(cn1)SC2CCCCC2 62a_100000210327_100000751577 [0,1,0,0,0,1|1,0,0]=3 5968 B15R2.29 Cc1ccc(cn1)SC2CCCCC2 62a_100000751577_100000210327 [0,1,0,0,0,1|1,0,0]=3 5969 B15R2.29 Cc1ccc(cn1)SC2CCCOC2 62a_100000751577_100000693364 [0,1,0,0,0,1|2,0,0]=4 5970 B15R2.29 Cc1ccc(cn1)SC2CCOCC2 62a_100000751577_100011324220 [0,1,0,0,0,1|2,0,0]=4 5971 B15R2.29 Cc1ccc(cn1)SC2CCSCC2 62a_100000751577_100000069128 [0,1,0,0,0,1|2,0,0]=4 5972 B15R2.29 Cc1ccc(nn1)NC2CCCCC2 27a_100000182618_100000744512 [0,1,0,0,0,1|2,0,0]=4 5973 B15R2.29 Cc1ccc(nn1)SC2CCCCC2 62a_100000210327_100000744512 [0,1,0,0,0,1|2,0,0]=4 5974 B15R2.29 Cc1ccc(nn1)SC2CCCCC2 62a_100000744512_100000210327 [0,1,0,0,0,1|2,0,0]=4 5975 B15R2.29 Cc1cnc(cn1)NC2CCCCC2 27a_100000182618_100000074397 [0,1,0,0,0,1|2,0,0]=4 5976 B15R2.29 Cc1cnc(cn1)SC2CCCCC2 62a_100000210327_100011999403 [0,1,0,0,0,1|2,0,0]=4 5977 B15R2.29 Cc1cnc(cn1)SC2CCCCC2 62a_100011999403_100000210327 [0,1,0,0,0,1|2,0,0]=4 5978 B15R2.29 Cc1ncc(cn1)OC2CCCCC2 34a_100000062939_100000210327 [0,1,0,0,0,1|2,0,0]=4 5979 B15R2.29 Cc1ncc(cn1)OC2CCCCC2 7a_100000062939_100000210327 [0,1,0,0,0,1|2,0,0]=4 5980 B15R2.29 Cc1ncc(cn1)SC2CCCCC2 62a_100000210327_100000686985 [0,1,0,0,0,1|2,0,0]=4 5981 B15R2.29 Cc1ncc(cn1)SC2CCCCC2 62a_100000686985_100000210327 [0,1,0,0,0,1|2,0,0]=4 5982 B15R2.29 Clc1ccc(cc1)NC2CCCCC2 34a_100000210052_100000210327 [0,1,0,0,0,1|2,0,0]=4 5983 B15R2.29 Clc1ccc(cc1)OC2CCCCC2 34a_100000210216_100000210327 [0,1,0,0,0,1|2,0,0]=4 5984 B15R2.29 Clc1ccc(cc1)OC2CCCCC2 7a_100000210216_100000210327 [0,1,0,0,0,1|2,0,0]=4 5985 B15R2.29 Clc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000755918 [0,1,0,0,0,1|2,0,0]=4 5986 B15R2.29 Clc1ccc(cc1)SC2CCCCC2 62a_100000755918_100000210327 [0,1,0,0,0,1|2,0,0]=4 5987 B15R2.29 Clc1ccc(cn1)OC2C=CCCC2 7a_100000744096_100000751183 [0,1,0,0,0,1|1,0,1]=4 5988 B15R2.29 Clc1ccc(cn1)OC2CCCCC2 34a_100000744096_100000210327 [0,1,0,0,0,1|1,0,0]=3 5989 B15R2.29 Clc1ccc(cn1)OC2CCCCC2 7a_100000744096_100000210327 [0,1,0,0,0,1|1,0,0]=3 5990 B15R2.29 Clc1ccc(cn1)OC2CCCOC2 34a_100000744096_100000693364 [0,1,0,0,0,1|2,0,0]=4 5991 B15R2.29 Clc1ccc(cn1)OC2CCCOC2 7a_100000744096_100000693364 [0,1,0,0,0,1|2,0,0]=4 5992 B15R2.29 Clc1ccc(cn1)OC2CCOCC2 7a_100000744096_100000686592 [0,1,0,0,0,1|2,0,0]=4 5993 B15R2.29 Clc1ccc(cn1)OC2CCSCC2 34a_100000744096_100000069128 [0,1,0,0,0,1|2,0,0]=4 5994 B15R2.29 Clc1ccc(cn1)OC2CCSCC2 7a_100000744096_100011500858 [0,1,0,0,0,1|2,0,0]=4 5995 B15R2.29 Clc1ccc(cn1)SC2C=CCCC2 62a_100000034144_100000751183 [0,1,0,0,0,1|1,0,1]=4 5996 B15R2.29 Clc1ccc(cn1)SC2C=CCCC2 62a_100000751183_100000034144 [0,1,0,0,0,1|1,0,1]=4 5997 B15R2.29 Clc1ccc(cn1)SC2CCCCC2 62a_100000034144_100000210327 [0,1,0,0,0,1|1,0,0]=3 5998 B15R2.29 Clc1ccc(cn1)SC2CCCCC2 62a_100000210327_100000034144 [0,1,0,0,0,1|1,0,0]=3 5999 B15R2.29 Clc1ccc(cn1)SC2CCCOC2 62a_100000034144_100000693364 [0,1,0,0,0,1|2,0,0]=4 6000 B15R2.29 Clc1ccc(cn1)SC2CCOCC2 62a_100000034144_100011324220 [0,1,0,0,0,1|2,0,0]=4 6001 B15R2.29 Clc1ccc(cn1)SC2CCSCC2 62a_100000034144_100000069128 [0,1,0,0,0,1|2,0,0]=4 6002 B15R2.29 Clc1ccc(nn1)SC2CCCCC2 62a_100000068654_100000210327 [0,1,0,0,0,1|2,0,0]=4 6003 B15R2.29 Clc1ccc(nn1)SC2CCCCC2 62a_100000210327_100000068654 [0,1,0,0,0,1|2,0,0]=4 6004 B15R2.29 Clc1cnc(cn1)OC2CCCCC2 34a_100015839800_100000210327 [0,1,0,0,0,1|2,0,0]=4 6005 B15R2.29 Clc1cnc(cn1)SC2CCCCC2 62a_100000210327_100010214907 [0,1,0,0,0,1|2,0,0]=4 6006 B15R2.29 Clc1cnc(cn1)SC2CCCCC2 62a_100010214907_100000210327 [0,1,0,0,0,1|2,0,0]=4 6007 B15R2.29 Clc1ncc(cn1)OC2CCCCC2 34a_100000092845_100000210327 [0,1,0,0,0,1|2,0,0]=4 6008 B15R2.29 Clc1ncc(cn1)OC2CCCCC2 7a_100000092845_100000210327 [0,1,0,0,0,1|2,0,0]=4 6009 B15R2.29 Clc1ncc(cn1)SC2CCCCC2 62a_100000059775_100000210327 [0,1,0,0,0,1|2,0,0]=4 6010 B15R2.29 Clc1ncc(cn1)SC2CCCCC2 62a_100000210327_100000059775 [0,1,0,0,0,1|2,0,0]=4 6011 B15R2.29 FC1CCN(CC1)Cc2cccnc2 2230a_100015193889_100000741622 [0,1,0,0,0,1|2,0,0]=4 6012 B15R2.29 FC1CCN(CC1)Cc2cccnc2 269982a_100015193889_100000733263 [0,1,0,0,0,1|2,0,0]=4 6013 B15R2.29 FC1CCN(CC1)Cc2cccnc2 270004a_100015193889_100000209961 [0,1,0,0,0,1|2,0,0]=4 6014 B15R2.29 FC1CCN(CC1)Cc2cccnc2 34a_100015193889_100000733263 [0,1,0,0,0,1|2,0,0]=4 6015 B15R2.29 Fc1ccc(cc1)NC2CCCCC2 34a_100000185862_100000210327 [0,1,0,0,0,1|2,0,0]=4 6016 B15R2.29 Fc1ccc(cc1)OC2CCCCC2 34a_100000210339_100000210327 [0,1,0,0,0,1|2,0,0]=4 6017 B15R2.29 Fc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000211213 [0,1,0,0,0,1|2,0,0]=4 6018 B15R2.29 Fc1ccc(cc1)SC2CCCCC2 62a_100000211213_100000210327 [0,1,0,0,0,1|2,0,0]=4 6019 B15R2.29 Fc1ccc(cn1)OC2C=CCCC2 7a_100000688820_100000751183 [0,1,0,0,0,1|1,0,1]=4 6020 B15R2.29 Fc1ccc(cn1)OC2CCCCC2 34a_100000688820_100000210327 [0,1,0,0,0,1|1,0,0]=3 6021 B15R2.29 Fc1ccc(cn1)OC2CCCCC2 7a_100000688820_100000210327 [0,1,0,0,0,1|1,0,0]=3 6022 B15R2.29 Fc1ccc(cn1)OC2CCCOC2 34a_100000688820_100000693364 [0,1,0,0,0,1|2,0,0]=4 6023 B15R2.29 Fc1ccc(cn1)OC2CCCOC2 7a_100000688820_100000693364 [0,1,0,0,0,1|2,0,0]=4 6024 B15R2.29 Fc1ccc(cn1)OC2CCOCC2 7a_100000688820_100000686592 [0,1,0,0,0,1|2,0,0]=4 6025 B15R2.29 Fc1ccc(cn1)OC2CCSCC2 34a_100000688820_100000069128 [0,1,0,0,0,1|2,0,0]=4 6026 B15R2.29 Fc1ccc(cn1)OC2CCSCC2 7a_100000688820_100011500858 [0,1,0,0,0,1|2,0,0]=4 6027 B15R2.29 Fc1ccc(cn1)SC2C=CCCC2 62a_100000042367_100000751183 [0,1,0,0,0,1|1,0,1]=4 6028 B15R2.29 Fc1ccc(cn1)SC2C=CCCC2 62a_100000751183_100000042367 [0,1,0,0,0,1|1,0,1]=4 6029 B15R2.29 Fc1ccc(cn1)SC2CCCCC2 62a_100000042367_100000210327 [0,1,0,0,0,1|1,0,0]=3 6030 B15R2.29 Fc1ccc(cn1)SC2CCCCC2 62a_100000210327_100000042367 [0,1,0,0,0,1|1,0,0]=3 6031 B15R2.29 Fc1ccc(cn1)SC2CCCOC2 62a_100000042367_100000693364 [0,1,0,0,0,1|2,0,0]=4 6032 B15R2.29 Fc1ccc(cn1)SC2CCOCC2 62a_100000042367_100011324220 [0,1,0,0,0,1|2,0,0]=4 6033 B15R2.29 Fc1ccc(cn1)SC2CCSCC2 62a_100000042367_100000069128 [0,1,0,0,0,1|2,0,0]=4 6034 B15R2.29 Fc1cnc(cn1)NC2CCCCC2 27a_100000182618_100009856528 [0,1,0,0,0,1|2,0,0]=4 6035 B15R2.29 Fc1cnc(cn1)SC2CCCCC2 62a_100000210327_100009856528 [0,1,0,0,0,1|2,0,0]=4 6036 B15R2.29 Fc1cnc(cn1)SC2CCCCC2 62a_100009856528_100000210327 [0,1,0,0,0,1|2,0,0]=4 6037 B15R2.29 Fc1ncc(cn1)OC2CCCCC2 34a_200009874573_100000210327 [0,1,0,0,0,1|2,0,0]=4 6038 B15R2.29 Fc1ncc(cn1)OC2CCCCC2 7a_200009874573_100000210327 [0,1,0,0,0,1|2,0,0]=4 6039 B15R2.29 Fc1ncc(cn1)SC2CCCCC2 62a_100000210327_100000685262 [0,1,0,0,0,1|2,0,0]=4 6040 B15R2.29 Fc1ncc(cn1)SC2CCCCC2 62a_100000685262_100000210327 [0,1,0,0,0,1|2,0,0]=4 6041 B15R2.29 Ic1ccc(cc1)NC2CCCCC2 34a_100000185761_100000210327 [0,1,0,0,0,1|2,0,0]=4 6042 B15R2.29 Ic1ccc(cc1)OC2CCCCC2 34a_100000212066_100000210327 [0,1,0,0,0,1|2,0,0]=4 6043 B15R2.29 Ic1ccc(cc1)OC2CCCCC2 7a_100000212066_100000210327 [0,1,0,0,0,1|2,0,0]=4 6044 B15R2.29 Ic1ccc(cn1)OC2C=CCCC2 7a_100000687607_100000751183 [0,1,0,0,0,1|1,0,1]=4 6045 B15R2.29 Ic1ccc(cn1)OC2CCCCC2 34a_100000687607_100000210327 [0,1,0,0,0,1|1,0,0]=3 6046 B15R2.29 Ic1ccc(cn1)OC2CCCCC2 7a_100000687607_100000210327 [0,1,0,0,0,1|1,0,0]=3 6047 B15R2.29 Ic1ccc(cn1)OC2CCCOC2 34a_100000687607_100000693364 [0,1,0,0,0,1|2,0,0]=4 6048 B15R2.29 Ic1ccc(cn1)OC2CCCOC2 7a_100000687607_100000693364 [0,1,0,0,0,1|2,0,0]=4 6049 B15R2.29 Ic1ccc(cn1)OC2CCOCC2 7a_100000687607_100000686592 [0,1,0,0,0,1|2,0,0]=4 6050 B15R2.29 Ic1ccc(cn1)OC2CCSCC2 34a_100000687607_100000069128 [0,1,0,0,0,1|2,0,0]=4 6051 B15R2.29 Ic1ccc(cn1)OC2CCSCC2 7a_100000687607_100011500858 [0,1,0,0,0,1|2,0,0]=4 6052 B15R2.29 Nc1ccc(cc1)OC2CCCCC2 34a_100000185829_100000210327 [0,1,0,0,0,1|2,0,0]=4 6053 B15R2.29 Nc1ccc(cc1)SC2CCCCC2 62a_100000185761_100000210327 [0,1,0,0,0,1|2,0,0]=4 6054 B15R2.29 Nc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000185761 [0,1,0,0,0,1|2,0,0]=4 6055 B15R2.29 Nc1ccc(cn1)OC2C=CCCC2 7a_100015188713_100000751183 [0,1,0,0,0,1|1,0,1]=4 6056 B15R2.29 Nc1ccc(cn1)OC2CCCCC2 34a_100015188713_100000210327 [0,1,0,0,0,1|1,0,0]=3 6057 B15R2.29 Nc1ccc(cn1)OC2CCCCC2 7a_100015188713_100000210327 [0,1,0,0,0,1|1,0,0]=3 6058 B15R2.29 Nc1ccc(cn1)OC2CCCOC2 34a_100015188713_100000693364 [0,1,0,0,0,1|2,0,0]=4 6059 B15R2.29 Nc1ccc(cn1)OC2CCCOC2 7a_100015188713_100000693364 [0,1,0,0,0,1|2,0,0]=4 6060 B15R2.29 Nc1ccc(cn1)OC2CCOCC2 7a_100015188713_100000686592 [0,1,0,0,0,1|2,0,0]=4 6061 B15R2.29 Nc1ccc(cn1)OC2CCSCC2 34a_100015188713_100000069128 [0,1,0,0,0,1|2,0,0]=4 6062 B15R2.29 Nc1ccc(cn1)OC2CCSCC2 7a_100015188713_100011500858 [0,1,0,0,0,1|2,0,0]=4 6063 B15R2.29 Nc1ccc(cn1)SC2C=CCCC2 62a_100000187370_100000751183 [0,1,0,0,0,1|1,0,1]=4 6064 B15R2.29 Nc1ccc(cn1)SC2C=CCCC2 62a_100000751183_100000187370 [0,1,0,0,0,1|1,0,1]=4 6065 B15R2.29 Nc1ccc(cn1)SC2CCCCC2 62a_100000187370_100000210327 [0,1,0,0,0,1|1,0,0]=3 6066 B15R2.29 Nc1ccc(cn1)SC2CCCCC2 62a_100000210327_100000187370 [0,1,0,0,0,1|1,0,0]=3 6067 B15R2.29 Nc1ccc(cn1)SC2CCCOC2 62a_100000187370_100000693364 [0,1,0,0,0,1|2,0,0]=4 6068 B15R2.29 Nc1ccc(cn1)SC2CCOCC2 62a_100000187370_100011324220 [0,1,0,0,0,1|2,0,0]=4 6069 B15R2.29 Nc1ccc(cn1)SC2CCSCC2 62a_100000187370_100000069128 [0,1,0,0,0,1|2,0,0]=4 6070 B15R2.29 Nc1ccc(nn1)SC2CCCCC2 62a_100000210327_100010219413 [0,1,0,0,0,1|2,0,0]=4 6071 B15R2.29 Nc1ccc(nn1)SC2CCCCC2 62a_100010219413_100000210327 [0,1,0,0,0,1|2,0,0]=4 6072 B15R2.29 Nc1cnc(cn1)SC2CCCCC2 62a_100000210327_100000744751 [0,1,0,0,0,1|2,0,0]=4 6073 B15R2.29 Nc1cnc(cn1)SC2CCCCC2 62a_100000744751_100000210327 [0,1,0,0,0,1|2,0,0]=4 6074 B15R2.29 Nc1ncc(cn1)OC2CCCCC2 34a_100000087137_100000210327 [0,1,0,0,0,1|2,0,0]=4 6075 B15R2.29 Nc1ncc(cn1)OC2CCCCC2 7a_100000087137_100000210327 [0,1,0,0,0,1|2,0,0]=4 6076 B15R2.29 Nc1ncc(cn1)SC2CCCCC2 62a_100000210327_100000766020 [0,1,0,0,0,1|2,0,0]=4 6077 B15R2.29 Nc1ncc(cn1)SC2CCCCC2 62a_100000766020_100000210327 [0,1,0,0,0,1|2,0,0]=4 6078 B15R2.29 O=c1ccc(c[nH]1)OC2CCCCC2 34a_100000075641_100000210327 [0,1,0,0,0,1|1,0,1]=4 6079 B15R2.29 O=c1ccc(c[nH]1)SC2CCCCC2 62a_100000210327_100000212171 [0,1,0,0,0,1|1,0,1]=4 6080 B15R2.29 O=c1ccc(c[nH]1)SC2CCCCC2 62a_100000212171_100000210327 [0,1,0,0,0,1|1,0,1]=4 6081 B15R2.29 O=c1ncc(c[nH]1)SC2CCCCC2 62a_100000210327_102495366499 [0,1,0,0,0,1|2,0,0]=4 6082 B15R2.29 O=c1ncc(c[nH]1)SC2CCCCC2 62a_102495366499_100000210327 [0,1,0,0,0,1|2,0,0]=4 6083 B15R2.29 OC1CCN(CC1)Cc2cccnc2 2230a_100025773856_100000741622 [0,1,0,0,0,1|2,0,0]=4 6084 B15R2.29 OC1CCN(CC1)Cc2cccnc2 269982a_100025773856_100000733263 [0,1,0,0,0,1|2,0,0]=4 6085 B15R2.29 OC1CCN(CC1)Cc2cccnc2 270004a_100025773856_100000209961 [0,1,0,0,0,1|2,0,0]=4 6086 B15R2.29 O[C@H]1CC[C@H](CC1)Nc2cccnn2 27a_100020628982_100016991348 [0,1,0,0,0,1|2,0,0]=4 6087 B15R2.29 O[C@H]1CC[C@H](CC1)Nc2cnccn2 27a_100020628982_100000211759 [0,1,0,0,0,1|2,0,0]=4 6088 B15R2.29 Oc1ccc(cc1)NC2CCCCC2 34a_100000185829_100000210327 [0,1,0,0,0,1|2,0,0]=4 6089 B15R2.29 Oc1ccc(cc1)OC2CCCCC2 271570a_203496583355_200011235866 [0,1,0,0,0,1|2,0,0]=4 6090 B15R2.29 Oc1ccc(cc1)OC2CCCCO2 271570a_203496583355_100009813393 [0,1,0,0,0,1|2,0,0]=4 6091 B15R2.29 Oc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000185759 [0,1,0,0,0,1|2,0,0]=4 6092 B15R2.29 Oc1ccc(cn1)CN2CCCCC2 271570a_203496583355_200011198788 [0,1,0,0,0,1|2,0,0]=4 6093 B15R2.29 Oc1ccc(nn1)NC2CCCCC2 271570a_203496583355_100000215315 [0,1,0,0,0,1|2,0,0]=4 6094 B15R2.29 Oc1cnc(cn1)SC2CCCCC2 62a_100000210327_100015839800 [0,1,0,0,0,1|2,0,0]=4 6095 B15R2.29 Oc1cnc(cn1)SC2CCCCC2 62a_100011934580_100000210327 [0,1,0,0,0,1|2,0,0]=4 6096 B15R2.29 [13CH3]N1CCC(CC1)Oc2cccnc2 2230a_100015186544_200025704644 [0,1,0,0,0,1|2,0,0]=4 6097 B15R2.29 [13CH3]N1CCC(CC1)Oc2cccnc2 269982a_100015186544_200025704644 [0,1,0,0,0,1|2,0,0]=4 6098 B15R2.31 Brc1cccc(c1)NC2CCCCC2 34a_100000210019_100000210327 [0,1,0,0,0,1|2,0,0]=4 6099 B15R2.31 Brc1cccc(c1)OC2CCCCC2 34a_100000210342_100000210327 [0,1,0,0,0,1|2,0,0]=4 6100 B15R2.31 Brc1cccc(c1)OC2CCCCC2 7a_100000210342_100000210327 [0,1,0,0,0,1|2,0,0]=4 6101 B15R2.31 Brc1cccc(c1)SC2CCCCC2 62a_100000210327_100000691529 [0,1,0,0,0,1|2,0,0]=4 6102 B15R2.31 Brc1cccc(c1)SC2CCCCC2 62a_100000691529_100000210327 [0,1,0,0,0,1|2,0,0]=4 6103 B15R2.31 Brc1cncc(c1)OC2C=CCCC2 7a_100000754920_100000751183 [0,1,0,0,0,1|1,0,1]=4 6104 B15R2.31 Brc1cncc(c1)OC2CCCCC2 34a_100000754920_100000210327 [0,1,0,0,0,1|1,0,0]=3 6105 B15R2.31 Brc1cncc(c1)OC2CCCCC2 7a_100000754920_100000210327 [0,1,0,0,0,1|1,0,0]=3 6106 B15R2.31 Brc1cncc(c1)OC2CCCOC2 34a_100000754920_100000693364 [0,1,0,0,0,1|2,0,0]=4 6107 B15R2.31 Brc1cncc(c1)OC2CCCOC2 7a_100000754920_100000693364 [0,1,0,0,0,1|2,0,0]=4 6108 B15R2.31 Brc1cncc(c1)OC2CCOCC2 7a_100000754920_100000686592 [0,1,0,0,0,1|2,0,0]=4 6109 B15R2.31 Brc1cncc(c1)OC2CCSCC2 34a_100000754920_100000069128 [0,1,0,0,0,1|2,0,0]=4 6110 B15R2.31 Brc1cncc(c1)OC2CCSCC2 7a_100000754920_100011500858 [0,1,0,0,0,1|2,0,0]=4 6111 B15R2.31 Brc1cncc(c1)SC2C=CCCC2 62a_100000728054_100000751183 [0,1,0,0,0,1|1,0,1]=4 6112 B15R2.31 Brc1cncc(c1)SC2C=CCCC2 62a_100000751183_100000728054 [0,1,0,0,0,1|1,0,1]=4 6113 B15R2.31 Brc1cncc(c1)SC2CCCCC2 62a_100000210327_100000728054 [0,1,0,0,0,1|1,0,0]=3 6114 B15R2.31 Brc1cncc(c1)SC2CCCCC2 62a_100000728054_100000210327 [0,1,0,0,0,1|1,0,0]=3 6115 B15R2.31 Brc1cncc(c1)SC2CCCOC2 62a_100000728054_100000693364 [0,1,0,0,0,1|2,0,0]=4 6116 B15R2.31 Brc1cncc(c1)SC2CCOCC2 62a_100000728054_100011324220 [0,1,0,0,0,1|2,0,0]=4 6117 B15R2.31 Brc1cncc(c1)SC2CCSCC2 62a_100000728054_100000069128 [0,1,0,0,0,1|2,0,0]=4 6118 B15R2.31 CC1CCCC(C1)Nc2cccnn2 27a_100011194320_100016991348 [0,1,0,0,0,1|2,0,0]=4 6119 B15R2.31 CC1CCCC(C1)Nc2cnccn2 27a_100011194320_100000211759 [0,1,0,0,0,1|2,0,0]=4 6120 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 2230a_100000717927_100000741622 [0,1,0,0,0,1|2,0,0]=4 6121 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 269982a_100000717927_100000733263 [0,1,0,0,0,1|2,0,0]=4 6122 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 270004a_100000717927_100000209961 [0,1,0,0,0,1|2,0,0]=4 6123 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 34a_100000717927_100000733263 [0,1,0,0,0,1|2,0,0]=4 6124 B15R2.31 C[n+]1cccc(c1)SC2CCCCC2 62a_100000210327_100009996589 [0,1,0,0,0,1|1,0,1]=4 6125 B15R2.31 C[n+]1cccc(c1)SC2CCCCC2 62a_100009996589_100000210327 [0,1,0,0,0,1|1,0,1]=4 6126 B15R2.31 Cc1cccc(c1)NC2CCCCC2 34a_100000188690_100000210327 [0,1,0,0,0,1|2,0,0]=4 6127 B15R2.31 Cc1cccc(c1)OC2CCCCC2 34a_100000210337_100000210327 [0,1,0,0,0,1|2,0,0]=4 6128 B15R2.31 Cc1cccc(c1)OC2CCCCC2 7a_100000210337_100000210327 [0,1,0,0,0,1|2,0,0]=4 6129 B15R2.31 Cc1cccc(c1)SC2CCCCC2 62a_100000210327_100011215228 [0,1,0,0,0,1|2,0,0]=4 6130 B15R2.31 Cc1cccc(c1)SC2CCCCC2 62a_100011215228_100000210327 [0,1,0,0,0,1|2,0,0]=4 6131 B15R2.31 Cc1cncc(c1)OC2C=CCCC2 7a_100011830280_100000751183 [0,1,0,0,0,1|1,0,1]=4 6132 B15R2.31 Cc1cncc(c1)OC2CCCCC2 34a_100011830280_100000210327 [0,1,0,0,0,1|1,0,0]=3 6133 B15R2.31 Cc1cncc(c1)OC2CCCCC2 7a_100011830280_100000210327 [0,1,0,0,0,1|1,0,0]=3 6134 B15R2.31 Cc1cncc(c1)OC2CCCOC2 34a_100011830280_100000693364 [0,1,0,0,0,1|2,0,0]=4 6135 B15R2.31 Cc1cncc(c1)OC2CCCOC2 7a_100011830280_100000693364 [0,1,0,0,0,1|2,0,0]=4 6136 B15R2.31 Cc1cncc(c1)OC2CCOCC2 7a_100011830280_100000686592 [0,1,0,0,0,1|2,0,0]=4 6137 B15R2.31 Cc1cncc(c1)OC2CCSCC2 34a_100011830280_100000069128 [0,1,0,0,0,1|2,0,0]=4 6138 B15R2.31 Cc1cncc(c1)OC2CCSCC2 7a_100011830280_100011500858 [0,1,0,0,0,1|2,0,0]=4 6139 B15R2.31 Cc1cncc(c1)SC2C=CCCC2 62a_100000751183_100000760492 [0,1,0,0,0,1|1,0,1]=4 6140 B15R2.31 Cc1cncc(c1)SC2C=CCCC2 62a_100000760492_100000751183 [0,1,0,0,0,1|1,0,1]=4 6141 B15R2.31 Cc1cncc(c1)SC2CCCCC2 62a_100000210327_100000760492 [0,1,0,0,0,1|1,0,0]=3 6142 B15R2.31 Cc1cncc(c1)SC2CCCCC2 62a_100000760492_100000210327 [0,1,0,0,0,1|1,0,0]=3 6143 B15R2.31 Cc1cncc(c1)SC2CCCOC2 62a_100000760492_100000693364 [0,1,0,0,0,1|2,0,0]=4 6144 B15R2.31 Cc1cncc(c1)SC2CCOCC2 62a_100000760492_100011324220 [0,1,0,0,0,1|2,0,0]=4 6145 B15R2.31 Cc1cncc(c1)SC2CCSCC2 62a_100000760492_100000069128 [0,1,0,0,0,1|2,0,0]=4 6146 B15R2.31 Cc1cncc(n1)NC2CCCCC2 27a_100000182618_100000754123 [0,1,0,0,0,1|2,0,0]=4 6147 B15R2.31 Cc1cncc(n1)SC2CCCCC2 62a_100000210327_100000754123 [0,1,0,0,0,1|2,0,0]=4 6148 B15R2.31 Cc1cncc(n1)SC2CCCCC2 62a_100000754123_100000210327 [0,1,0,0,0,1|2,0,0]=4 6149 B15R2.31 Cc1cnnc(c1)NC2CCCCC2 27a_100000182618_100000070100 [0,1,0,0,0,1|2,0,0]=4 6150 B15R2.31 Cc1cnnc(c1)OC2CCCCC2 34a_100000766097_100000210327 [0,1,0,0,0,1|2,0,0]=4 6151 B15R2.31 Cc1cnnc(c1)SC2CCCCC2 62a_100000070100_100000210327 [0,1,0,0,0,1|2,0,0]=4 6152 B15R2.31 Cc1cnnc(c1)SC2CCCCC2 62a_100000210327_100000070100 [0,1,0,0,0,1|2,0,0]=4 6153 B15R2.31 Clc1cc(cnn1)OC2CCCCC2 34a_200010734679_100000210327 [0,1,0,0,0,1|2,0,0]=4 6154 B15R2.31 Clc1cccc(c1)NC2CCCCC2 34a_100000185859_100000210327 [0,1,0,0,0,1|2,0,0]=4 6155 B15R2.31 Clc1cccc(c1)OC2CCCCC2 34a_100000210295_100000210327 [0,1,0,0,0,1|2,0,0]=4 6156 B15R2.31 Clc1cccc(c1)OC2CCCCC2 7a_100000210295_100000210327 [0,1,0,0,0,1|2,0,0]=4 6157 B15R2.31 Clc1cccc(c1)SC2CCCCC2 62a_100000210327_100000699651 [0,1,0,0,0,1|2,0,0]=4 6158 B15R2.31 Clc1cccc(c1)SC2CCCCC2 62a_100000699651_100000210327 [0,1,0,0,0,1|2,0,0]=4 6159 B15R2.31 Clc1cncc(c1)OC2C=CCCC2 7a_100000032511_100000751183 [0,1,0,0,0,1|1,0,1]=4 6160 B15R2.31 Clc1cncc(c1)OC2CCCCC2 7a_100000032511_100000210327 [0,1,0,0,0,1|1,0,0]=3 6161 B15R2.31 Clc1cncc(c1)OC2CCCOC2 7a_100000032511_100000693364 [0,1,0,0,0,1|2,0,0]=4 6162 B15R2.31 Clc1cncc(c1)OC2CCOCC2 7a_100000032511_100000686592 [0,1,0,0,0,1|2,0,0]=4 6163 B15R2.31 Clc1cncc(c1)OC2CCSCC2 7a_100000032511_100011500858 [0,1,0,0,0,1|2,0,0]=4 6164 B15R2.31 Clc1cncc(c1)SC2C=CCCC2 62a_100000049639_100000751183 [0,1,0,0,0,1|1,0,1]=4 6165 B15R2.31 Clc1cncc(c1)SC2C=CCCC2 62a_100000751183_100000049639 [0,1,0,0,0,1|1,0,1]=4 6166 B15R2.31 Clc1cncc(c1)SC2CCCCC2 62a_100000049639_100000210327 [0,1,0,0,0,1|1,0,0]=3 6167 B15R2.31 Clc1cncc(c1)SC2CCCCC2 62a_100000210327_100000049639 [0,1,0,0,0,1|1,0,0]=3 6168 B15R2.31 Clc1cncc(c1)SC2CCCOC2 62a_100000049639_100000693364 [0,1,0,0,0,1|2,0,0]=4 6169 B15R2.31 Clc1cncc(c1)SC2CCOCC2 62a_100000049639_100011324220 [0,1,0,0,0,1|2,0,0]=4 6170 B15R2.31 Clc1cncc(c1)SC2CCSCC2 62a_100000049639_100000069128 [0,1,0,0,0,1|2,0,0]=4 6171 B15R2.31 Clc1cncc(n1)NC2CCCCC2 27a_100000182618_100010892449 [0,1,0,0,0,1|2,0,0]=4 6172 B15R2.31 Clc1cncc(n1)SC2CCCCC2 62a_100000210327_100010892449 [0,1,0,0,0,1|2,0,0]=4 6173 B15R2.31 Clc1cncc(n1)SC2CCCCC2 62a_100010892449_100000210327 [0,1,0,0,0,1|2,0,0]=4 6174 B15R2.31 FC1CCCN(C1)Cc2cccnc2 2230a_100000697950_100000741622 [0,1,0,0,0,1|2,0,0]=4 6175 B15R2.31 FC1CCCN(C1)Cc2cccnc2 269982a_100000697950_100000733263 [0,1,0,0,0,1|2,0,0]=4 6176 B15R2.31 FC1CCCN(C1)Cc2cccnc2 270004a_100000697950_100000209961 [0,1,0,0,0,1|2,0,0]=4 6177 B15R2.31 FC1CCCN(C1)Cc2cccnc2 34a_100000697950_100000733263 [0,1,0,0,0,1|2,0,0]=4 6178 B15R2.31 Fc1cccc(c1)NC2CCCCC2 34a_100000210047_100000210327 [0,1,0,0,0,1|2,0,0]=4 6179 B15R2.31 Fc1cccc(c1)OC2CCCCC2 34a_100000210426_100000210327 [0,1,0,0,0,1|2,0,0]=4 6180 B15R2.31 Fc1cccc(c1)OC2CCCCC2 7a_100000210426_100000210327 [0,1,0,0,0,1|2,0,0]=4 6181 B15R2.31 Fc1cccc(c1)SC2CCCCC2 62a_100000210327_100000685547 [0,1,0,0,0,1|2,0,0]=4 6182 B15R2.31 Fc1cccc(c1)SC2CCCCC2 62a_100000685547_100000210327 [0,1,0,0,0,1|2,0,0]=4 6183 B15R2.31 Fc1cncc(c1)OC2C=CCCC2 7a_100011830296_100000751183 [0,1,0,0,0,1|1,0,1]=4 6184 B15R2.31 Fc1cncc(c1)OC2CCCCC2 34a_100011830296_100000210327 [0,1,0,0,0,1|1,0,0]=3 6185 B15R2.31 Fc1cncc(c1)OC2CCCCC2 7a_100011830296_100000210327 [0,1,0,0,0,1|1,0,0]=3 6186 B15R2.31 Fc1cncc(c1)OC2CCCOC2 34a_100011830296_100000693364 [0,1,0,0,0,1|2,0,0]=4 6187 B15R2.31 Fc1cncc(c1)OC2CCCOC2 7a_100011830296_100000693364 [0,1,0,0,0,1|2,0,0]=4 6188 B15R2.31 Fc1cncc(c1)OC2CCOCC2 7a_100011830296_100000686592 [0,1,0,0,0,1|2,0,0]=4 6189 B15R2.31 Fc1cncc(c1)OC2CCSCC2 34a_100011830296_100000069128 [0,1,0,0,0,1|2,0,0]=4 6190 B15R2.31 Fc1cncc(c1)OC2CCSCC2 7a_100011830296_100011500858 [0,1,0,0,0,1|2,0,0]=4 6191 B15R2.31 Fc1cncc(c1)SC2C=CCCC2 62a_100000744099_100000751183 [0,1,0,0,0,1|1,0,1]=4 6192 B15R2.31 Fc1cncc(c1)SC2C=CCCC2 62a_100000751183_100000744099 [0,1,0,0,0,1|1,0,1]=4 6193 B15R2.31 Fc1cncc(c1)SC2CCCCC2 62a_100000210327_100000744099 [0,1,0,0,0,1|1,0,0]=3 6194 B15R2.31 Fc1cncc(c1)SC2CCCCC2 62a_100000744099_100000210327 [0,1,0,0,0,1|1,0,0]=3 6195 B15R2.31 Fc1cncc(c1)SC2CCCOC2 62a_100000744099_100000693364 [0,1,0,0,0,1|2,0,0]=4 6196 B15R2.31 Fc1cncc(c1)SC2CCOCC2 62a_100000744099_100011324220 [0,1,0,0,0,1|2,0,0]=4 6197 B15R2.31 Fc1cncc(c1)SC2CCSCC2 62a_100000744099_100000069128 [0,1,0,0,0,1|2,0,0]=4 6198 B15R2.31 Fc1cncc(n1)NC2CCCCC2 27a_100000182618_200009863489 [0,1,0,0,0,1|2,0,0]=4 6199 B15R2.31 Fc1cncc(n1)SC2CCCCC2 62a_100000210327_200009863489 [0,1,0,0,0,1|2,0,0]=4 6200 B15R2.31 Fc1cncc(n1)SC2CCCCC2 62a_200009863489_100000210327 [0,1,0,0,0,1|2,0,0]=4 6201 B15R2.31 Ic1cccc(c1)NC2CCCCC2 34a_100000211102_100000210327 [0,1,0,0,0,1|2,0,0]=4 6202 B15R2.31 Ic1cccc(c1)OC2CCCCC2 34a_100000211634_100000210327 [0,1,0,0,0,1|2,0,0]=4 6203 B15R2.31 Ic1cccc(c1)OC2CCCCC2 7a_100000211634_100000210327 [0,1,0,0,0,1|2,0,0]=4 6204 B15R2.31 Nc1cc(cnn1)OC2CCCCC2 34a_200015193112_100000210327 [0,1,0,0,0,1|2,0,0]=4 6205 B15R2.31 Nc1cc(cnn1)SC2CCCCC2 62a_100000130277_100000210327 [0,1,0,0,0,1|2,0,0]=4 6206 B15R2.31 Nc1cc(cnn1)SC2CCCCC2 62a_100000210327_100000130277 [0,1,0,0,0,1|2,0,0]=4 6207 B15R2.31 Nc1cccc(c1)OC2CCCCC2 34a_100000210217_100000210327 [0,1,0,0,0,1|2,0,0]=4 6208 B15R2.31 Nc1cccc(c1)SC2CCCCC2 62a_100000210019_100000210327 [0,1,0,0,0,1|2,0,0]=4 6209 B15R2.31 Nc1cccc(c1)SC2CCCCC2 62a_100000210327_100000210019 [0,1,0,0,0,1|2,0,0]=4 6210 B15R2.31 Nc1cncc(c1)OC2CCCCC2 34a_100011997051_100000210327 [0,1,0,0,0,1|1,0,0]=3 6211 B15R2.31 Nc1cncc(c1)OC2CCCOC2 34a_100011997051_100000693364 [0,1,0,0,0,1|2,0,0]=4 6212 B15R2.31 Nc1cncc(c1)OC2CCSCC2 34a_100011997051_100000069128 [0,1,0,0,0,1|2,0,0]=4 6213 B15R2.31 Nc1cncc(c1)SC2C=CCCC2 62a_100000687067_100000751183 [0,1,0,0,0,1|1,0,1]=4 6214 B15R2.31 Nc1cncc(c1)SC2C=CCCC2 62a_100000751183_100000687067 [0,1,0,0,0,1|1,0,1]=4 6215 B15R2.31 Nc1cncc(c1)SC2CCCCC2 62a_100000210327_100000687067 [0,1,0,0,0,1|1,0,0]=3 6216 B15R2.31 Nc1cncc(c1)SC2CCCCC2 62a_100000687067_100000210327 [0,1,0,0,0,1|1,0,0]=3 6217 B15R2.31 Nc1cncc(c1)SC2CCCOC2 62a_100000687067_100000693364 [0,1,0,0,0,1|2,0,0]=4 6218 B15R2.31 Nc1cncc(c1)SC2CCOCC2 62a_100000687067_100011324220 [0,1,0,0,0,1|2,0,0]=4 6219 B15R2.31 Nc1cncc(c1)SC2CCSCC2 62a_100000687067_100000069128 [0,1,0,0,0,1|2,0,0]=4 6220 B15R2.31 Nc1cncc(n1)SC2CCCCC2 62a_100000210327_100000747728 [0,1,0,0,0,1|2,0,0]=4 6221 B15R2.31 Nc1cncc(n1)SC2CCCCC2 62a_100000747728_100000210327 [0,1,0,0,0,1|2,0,0]=4 6222 B15R2.31 Nc1cnnc(c1)SC2CCCCC2 62a_100000210327_100011996757 [0,1,0,0,0,1|2,0,0]=4 6223 B15R2.31 Nc1cnnc(c1)SC2CCCCC2 62a_100011996757_100000210327 [0,1,0,0,0,1|2,0,0]=4 6224 B15R2.31 O=c1cc(cn[nH]1)SC2CCCCC2 62a_100000210327_100010197405 [0,1,0,0,0,1|2,0,0]=4 6225 B15R2.31 OC1CCCC(C1)Nc2cccnn2 27a_100015190357_100016991348 [0,1,0,0,0,1|2,0,0]=4 6226 B15R2.31 OC1CCCC(C1)Nc2cnccn2 27a_100015190357_100000211759 [0,1,0,0,0,1|2,0,0]=4 6227 B15R2.31 OC1CCCN(C1)Cc2cccnc2 2230a_100000211013_100000741622 [0,1,0,0,0,1|2,0,0]=4 6228 B15R2.31 OC1CCCN(C1)Cc2cccnc2 269982a_100000211013_100000733263 [0,1,0,0,0,1|2,0,0]=4 6229 B15R2.31 OC1CCCN(C1)Cc2cccnc2 270004a_100000211013_100000209961 [0,1,0,0,0,1|2,0,0]=4 6230 B15R2.31 Oc1cccc(c1)NC2CCCCC2 34a_100000210217_100000210327 [0,1,0,0,0,1|2,0,0]=4 6231 B15R2.31 Oc1cccc(c1)OC2CCCCC2 271570a_203496583355_200000701403 [0,1,0,0,0,1|2,0,0]=4 6232 B15R2.31 Oc1cccc(c1)OC2CCCCO2 271570a_203496583355_200009827802 [0,1,0,0,0,1|2,0,0]=4 6233 B15R2.31 Oc1cccc(c1)SC2CCCCC2 62a_100000210327_100000211634 [0,1,0,0,0,1|2,0,0]=4 6234 B15R2.31 Oc1cncc(c1)CN2CCCCC2 271570a_203496583355_200011274156 [0,1,0,0,0,1|2,0,0]=4 6235 B15R2.31 Oc1cncc(c1)SC2C=CCCC2 62a_100000751183_100000754920 [0,1,0,0,0,1|1,0,1]=4 6236 B15R2.31 Oc1cncc(c1)SC2C=CCCC2 62a_100000754920_100000751183 [0,1,0,0,0,1|1,0,1]=4 6237 B15R2.31 Oc1cncc(c1)SC2CCCCC2 62a_100000210327_100000754920 [0,1,0,0,0,1|1,0,0]=3 6238 B15R2.31 Oc1cncc(c1)SC2CCCCC2 62a_100000754920_100000210327 [0,1,0,0,0,1|1,0,0]=3 6239 B15R2.31 Oc1cncc(c1)SC2CCCOC2 62a_100000754920_100000693364 [0,1,0,0,0,1|2,0,0]=4 6240 B15R2.31 Oc1cncc(c1)SC2CCOCC2 62a_100000754920_100011324220 [0,1,0,0,0,1|2,0,0]=4 6241 B15R2.31 Oc1cncc(c1)SC2CCSCC2 62a_100000754920_100000069128 [0,1,0,0,0,1|2,0,0]=4 6242 B15R2.31 Oc1cncc(n1)SC2CCCCC2 62a_100000210327_100011269956 [0,1,0,0,0,1|2,0,0]=4 6243 B15R2.31 Oc1cnnc(c1)SC2CCCCC2 62a_100000210327_200010734679 [0,1,0,0,0,1|2,0,0]=4 6244 B15R2.31 [O-][n+]1cccc(c1)OC2CCCCC2 34a_100000039713_100000210327 [0,1,0,0,0,1|1,0,1]=4 6245 B15R2.31 [O-][n+]1cccc(c1)OC2CCCCC2 7a_100000039713_100000210327 [0,1,0,0,0,1|1,0,1]=4 6246 B15R2.31 [O-][n+]1cccc(c1)SC2CCCCC2 62a_100000210327_100009815978 [0,1,0,0,0,1|1,0,1]=4 6247 B15R2.31 [S]c1cccc(c1)SC2CCCCC2 62a_100000210327_114929384022 [0,1,0,0,0,1|2,0,0]=4 6248 B15R2.31 [S]c1cccc(c1)SC2CCCCC2 62a_114929384022_100000210327 [0,1,0,0,0,1|2,0,0]=4 6249 B15R2.38 Brc1ccccc1NC2CCCCC2 34a_100000210017_100000210327 [0,1,0,0,0,1|2,0,0]=4 6250 B15R2.38 Brc1ccccc1OC2CCCCC2 34a_100000181306_100000210327 [0,1,0,0,0,1|2,0,0]=4 6251 B15R2.38 Brc1ccccc1OC2CCCCC2 7a_100000181306_100000210327 [0,1,0,0,0,1|2,0,0]=4 6252 B15R2.38 Brc1ccccc1SC2CCCCC2 62a_100000210327_100000695589 [0,1,0,0,0,1|2,0,0]=4 6253 B15R2.38 Brc1ccccc1SC2CCCCC2 62a_100000695589_100000210327 [0,1,0,0,0,1|2,0,0]=4 6254 B15R2.38 Brc1ccncc1SC2C=CCCC2 62a_100000751183_100010138639 [0,1,0,0,0,1|1,0,1]=4 6255 B15R2.38 Brc1ccncc1SC2C=CCCC2 62a_100010138639_100000751183 [0,1,0,0,0,1|1,0,1]=4 6256 B15R2.38 Brc1ccncc1SC2CCCCC2 62a_100000210327_100010138639 [0,1,0,0,0,1|1,0,0]=3 6257 B15R2.38 Brc1ccncc1SC2CCCCC2 62a_100010138639_100000210327 [0,1,0,0,0,1|1,0,0]=3 6258 B15R2.38 Brc1ccncc1SC2CCCOC2 62a_100010138639_100000693364 [0,1,0,0,0,1|2,0,0]=4 6259 B15R2.38 Brc1ccncc1SC2CCOCC2 62a_100010138639_100011324220 [0,1,0,0,0,1|2,0,0]=4 6260 B15R2.38 Brc1ccncc1SC2CCSCC2 62a_100010138639_100000069128 [0,1,0,0,0,1|2,0,0]=4 6261 B15R2.38 Brc1ncccc1OC2C=CCCC2 7a_100000744436_100000751183 [0,1,0,0,0,1|1,0,1]=4 6262 B15R2.38 Brc1ncccc1OC2CCCCC2 34a_100000744436_100000210327 [0,1,0,0,0,1|1,0,0]=3 6263 B15R2.38 Brc1ncccc1OC2CCCCC2 7a_100000744436_100000210327 [0,1,0,0,0,1|1,0,0]=3 6264 B15R2.38 Brc1ncccc1OC2CCCOC2 34a_100000744436_100000693364 [0,1,0,0,0,1|2,0,0]=4 6265 B15R2.38 Brc1ncccc1OC2CCCOC2 7a_100000744436_100000693364 [0,1,0,0,0,1|2,0,0]=4 6266 B15R2.38 Brc1ncccc1OC2CCOCC2 7a_100000744436_100000686592 [0,1,0,0,0,1|2,0,0]=4 6267 B15R2.38 Brc1ncccc1OC2CCSCC2 34a_100000744436_100000069128 [0,1,0,0,0,1|2,0,0]=4 6268 B15R2.38 Brc1ncccc1OC2CCSCC2 7a_100000744436_100011500858 [0,1,0,0,0,1|2,0,0]=4 6269 B15R2.38 Brc1ncccc1SC2C=CCCC2 62a_100000751183_100010202626 [0,1,0,0,0,1|1,0,1]=4 6270 B15R2.38 Brc1ncccc1SC2C=CCCC2 62a_100010202626_100000751183 [0,1,0,0,0,1|1,0,1]=4 6271 B15R2.38 Brc1ncccc1SC2CCCCC2 62a_100000210327_100010202626 [0,1,0,0,0,1|1,0,0]=3 6272 B15R2.38 Brc1ncccc1SC2CCCCC2 62a_100010202626_100000210327 [0,1,0,0,0,1|1,0,0]=3 6273 B15R2.38 Brc1ncccc1SC2CCCOC2 62a_100010202626_100000693364 [0,1,0,0,0,1|2,0,0]=4 6274 B15R2.38 Brc1ncccc1SC2CCOCC2 62a_100010202626_100011324220 [0,1,0,0,0,1|2,0,0]=4 6275 B15R2.38 Brc1ncccc1SC2CCSCC2 62a_100010202626_100000069128 [0,1,0,0,0,1|2,0,0]=4 6276 B15R2.38 Brc1ncncc1SC2CCCCC2 62a_100000210327_200012461658 [0,1,0,0,0,1|2,0,0]=4 6277 B15R2.38 Brc1ncncc1SC2CCCCC2 62a_200012461658_100000210327 [0,1,0,0,0,1|2,0,0]=4 6278 B15R2.38 CC1CCCCC1Nc2cccnn2 27a_100000211402_100016991348 [0,1,0,0,0,1|2,0,0]=4 6279 B15R2.38 CC1CCCCC1Nc2cnccn2 27a_100000211402_100000211759 [0,1,0,0,0,1|2,0,0]=4 6280 B15R2.38 CC1CCCCN1Cc2cccnc2 2230a_100000211376_100000741622 [0,1,0,0,0,1|2,0,0]=4 6281 B15R2.38 CC1CCCCN1Cc2cccnc2 269982a_100000211376_100000733263 [0,1,0,0,0,1|2,0,0]=4 6282 B15R2.38 CC1CCCCN1Cc2cccnc2 270004a_100000211376_100000209961 [0,1,0,0,0,1|2,0,0]=4 6283 B15R2.38 CC1CCCCN1Cc2cccnc2 34a_100000211376_100000733263 [0,1,0,0,0,1|2,0,0]=4 6284 B15R2.38 CN1CCCCC1Cc2ccccc2 2230a_100000748602_200000210301 [0,1,0,0,0,1|1,0,0]=3 6285 B15R2.38 CN1CCCCC1Cc2ccccc2 269982a_100000748602_200000210301 [0,1,0,0,0,1|1,0,0]=3 6286 B15R2.38 CN1CCCCC1Cc2ccccc2 34a_100000748602_200000210301 [0,1,0,0,0,1|1,0,0]=3 6287 B15R2.38 CN1CCCCC1Cc2ccccn2 2230a_100011997240_200000210301 [0,1,0,0,0,1|2,0,0]=4 6288 B15R2.38 CN1CCCCC1Cc2ccccn2 269982a_100011997240_200000210301 [0,1,0,0,0,1|2,0,0]=4 6289 B15R2.38 CN1CCCCC1Cc2ccccn2 34a_100011997240_200000210301 [0,1,0,0,0,1|2,0,0]=4 6290 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200000210301 [0,1,0,0,0,1|2,0,0]=4 6291 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200000210301 [0,1,0,0,0,1|2,0,0]=4 6292 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200000210301 [0,1,0,0,0,1|2,0,0]=4 6293 B15R2.38 Cc1ccccc1NC2CCCCC2 34a_100015192222_100000210327 [0,1,0,0,0,1|2,0,0]=4 6294 B15R2.38 Cc1ccccc1OC2CCCCC2 34a_100000210338_100000210327 [0,1,0,0,0,1|2,0,0]=4 6295 B15R2.38 Cc1ccccc1OC2CCCCC2 7a_100000210338_100000210327 [0,1,0,0,0,1|2,0,0]=4 6296 B15R2.38 Cc1ccccc1SC2CCCCC2 62a_100000210327_100000210755 [0,1,0,0,0,1|2,0,0]=4 6297 B15R2.38 Cc1ccccc1SC2CCCCC2 62a_100000210755_100000210327 [0,1,0,0,0,1|2,0,0]=4 6298 B15R2.38 Cc1ccncc1OC2C=CCCC2 7a_100011997053_100000751183 [0,1,0,0,0,1|1,0,1]=4 6299 B15R2.38 Cc1ccncc1OC2CCCCC2 34a_100011997053_100000210327 [0,1,0,0,0,1|1,0,0]=3 6300 B15R2.38 Cc1ccncc1OC2CCCCC2 7a_100011997053_100000210327 [0,1,0,0,0,1|1,0,0]=3 6301 B15R2.38 Cc1ccncc1OC2CCCOC2 34a_100011997053_100000693364 [0,1,0,0,0,1|2,0,0]=4 6302 B15R2.38 Cc1ccncc1OC2CCCOC2 7a_100011997053_100000693364 [0,1,0,0,0,1|2,0,0]=4 6303 B15R2.38 Cc1ccncc1OC2CCOCC2 7a_100011997053_100000686592 [0,1,0,0,0,1|2,0,0]=4 6304 B15R2.38 Cc1ccncc1OC2CCSCC2 34a_100011997053_100000069128 [0,1,0,0,0,1|2,0,0]=4 6305 B15R2.38 Cc1ccncc1OC2CCSCC2 7a_100011997053_100011500858 [0,1,0,0,0,1|2,0,0]=4 6306 B15R2.38 Cc1ccncc1SC2C=CCCC2 62a_100000751183_100000761580 [0,1,0,0,0,1|1,0,1]=4 6307 B15R2.38 Cc1ccncc1SC2C=CCCC2 62a_100000761580_100000751183 [0,1,0,0,0,1|1,0,1]=4 6308 B15R2.38 Cc1ccncc1SC2CCCCC2 62a_100000210327_100000761580 [0,1,0,0,0,1|1,0,0]=3 6309 B15R2.38 Cc1ccncc1SC2CCCCC2 62a_100000761580_100000210327 [0,1,0,0,0,1|1,0,0]=3 6310 B15R2.38 Cc1ccncc1SC2CCCOC2 62a_100000761580_100000693364 [0,1,0,0,0,1|2,0,0]=4 6311 B15R2.38 Cc1ccncc1SC2CCOCC2 62a_100000761580_100011324220 [0,1,0,0,0,1|2,0,0]=4 6312 B15R2.38 Cc1ccncc1SC2CCSCC2 62a_100000761580_100000069128 [0,1,0,0,0,1|2,0,0]=4 6313 B15R2.38 Cc1ccnnc1NC2CCCCC2 27a_100000182618_100000089043 [0,1,0,0,0,1|2,0,0]=4 6314 B15R2.38 Cc1ccnnc1SC2CCCCC2 62a_100000210327_100000089043 [0,1,0,0,0,1|2,0,0]=4 6315 B15R2.38 Cc1ncccc1OC2C=CCCC2 7a_100000745507_100000751183 [0,1,0,0,0,1|1,0,1]=4 6316 B15R2.38 Cc1ncccc1OC2CCCCC2 34a_100000745507_100000210327 [0,1,0,0,0,1|1,0,0]=3 6317 B15R2.38 Cc1ncccc1OC2CCCCC2 7a_100000745507_100000210327 [0,1,0,0,0,1|1,0,0]=3 6318 B15R2.38 Cc1ncccc1OC2CCCOC2 34a_100000745507_100000693364 [0,1,0,0,0,1|2,0,0]=4 6319 B15R2.38 Cc1ncccc1OC2CCCOC2 7a_100000745507_100000693364 [0,1,0,0,0,1|2,0,0]=4 6320 B15R2.38 Cc1ncccc1OC2CCOCC2 7a_100000745507_100000686592 [0,1,0,0,0,1|2,0,0]=4 6321 B15R2.38 Cc1ncccc1OC2CCSCC2 34a_100000745507_100000069128 [0,1,0,0,0,1|2,0,0]=4 6322 B15R2.38 Cc1ncccc1OC2CCSCC2 7a_100000745507_100011500858 [0,1,0,0,0,1|2,0,0]=4 6323 B15R2.38 Cc1ncccc1SC2C=CCCC2 62a_100000751183_100000751574 [0,1,0,0,0,1|1,0,1]=4 6324 B15R2.38 Cc1ncccc1SC2C=CCCC2 62a_100000751574_100000751183 [0,1,0,0,0,1|1,0,1]=4 6325 B15R2.38 Cc1ncccc1SC2CCCCC2 62a_100000210327_100000751574 [0,1,0,0,0,1|1,0,0]=3 6326 B15R2.38 Cc1ncccc1SC2CCCCC2 62a_100000751574_100000210327 [0,1,0,0,0,1|1,0,0]=3 6327 B15R2.38 Cc1ncccc1SC2CCCOC2 62a_100000751574_100000693364 [0,1,0,0,0,1|2,0,0]=4 6328 B15R2.38 Cc1ncccc1SC2CCOCC2 62a_100000751574_100011324220 [0,1,0,0,0,1|2,0,0]=4 6329 B15R2.38 Cc1ncccc1SC2CCSCC2 62a_100000751574_100000069128 [0,1,0,0,0,1|2,0,0]=4 6330 B15R2.38 Cc1nccnc1NC2CCCCC2 27a_100000182618_100011999405 [0,1,0,0,0,1|2,0,0]=4 6331 B15R2.38 Cc1nccnc1OC2CCCCC2 34a_100000766352_100000210327 [0,1,0,0,0,1|2,0,0]=4 6332 B15R2.38 Cc1nccnc1SC2CCCCC2 62a_100000210327_100011999405 [0,1,0,0,0,1|2,0,0]=4 6333 B15R2.38 Cc1nccnc1SC2CCCCC2 62a_100011999405_100000210327 [0,1,0,0,0,1|2,0,0]=4 6334 B15R2.38 Cc1ncncc1SC2CCCCC2 62a_100000210327_100009819671 [0,1,0,0,0,1|2,0,0]=4 6335 B15R2.38 Cc1ncncc1SC2CCCCC2 62a_100009819671_100000210327 [0,1,0,0,0,1|2,0,0]=4 6336 B15R2.38 Clc1ccccc1NC2CCCCC2 34a_100000185783_100000210327 [0,1,0,0,0,1|2,0,0]=4 6337 B15R2.38 Clc1ccccc1OC2CCCCC2 34a_100000210172_100000210327 [0,1,0,0,0,1|2,0,0]=4 6338 B15R2.38 Clc1ccccc1OC2CCCCC2 7a_100000210172_100000210327 [0,1,0,0,0,1|2,0,0]=4 6339 B15R2.38 Clc1ccccc1SC2CCCCC2 62a_100000210327_100000764095 [0,1,0,0,0,1|2,0,0]=4 6340 B15R2.38 Clc1ccccc1SC2CCCCC2 62a_100000764095_100000210327 [0,1,0,0,0,1|2,0,0]=4 6341 B15R2.38 Clc1ccncc1OC2CCCCC2 34a_100011996695_100000210327 [0,1,0,0,0,1|1,0,0]=3 6342 B15R2.38 Clc1ccncc1OC2CCCOC2 34a_100011996695_100000693364 [0,1,0,0,0,1|2,0,0]=4 6343 B15R2.38 Clc1ccncc1OC2CCSCC2 34a_100011996695_100000069128 [0,1,0,0,0,1|2,0,0]=4 6344 B15R2.38 Clc1ccncc1SC2C=CCCC2 62a_100000751183_100009995489 [0,1,0,0,0,1|1,0,1]=4 6345 B15R2.38 Clc1ccncc1SC2C=CCCC2 62a_100009995489_100000751183 [0,1,0,0,0,1|1,0,1]=4 6346 B15R2.38 Clc1ccncc1SC2CCCCC2 62a_100000210327_100009995489 [0,1,0,0,0,1|1,0,0]=3 6347 B15R2.38 Clc1ccncc1SC2CCCCC2 62a_100009995489_100000210327 [0,1,0,0,0,1|1,0,0]=3 6348 B15R2.38 Clc1ccncc1SC2CCCOC2 62a_100009995489_100000693364 [0,1,0,0,0,1|2,0,0]=4 6349 B15R2.38 Clc1ccncc1SC2CCOCC2 62a_100009995489_100011324220 [0,1,0,0,0,1|2,0,0]=4 6350 B15R2.38 Clc1ccncc1SC2CCSCC2 62a_100009995489_100000069128 [0,1,0,0,0,1|2,0,0]=4 6351 B15R2.38 Clc1ncccc1OC2C=CCCC2 7a_100000757616_100000751183 [0,1,0,0,0,1|1,0,1]=4 6352 B15R2.38 Clc1ncccc1OC2CCCCC2 34a_100000757616_100000210327 [0,1,0,0,0,1|1,0,0]=3 6353 B15R2.38 Clc1ncccc1OC2CCCCC2 7a_100000757616_100000210327 [0,1,0,0,0,1|1,0,0]=3 6354 B15R2.38 Clc1ncccc1OC2CCCOC2 34a_100000757616_100000693364 [0,1,0,0,0,1|2,0,0]=4 6355 B15R2.38 Clc1ncccc1OC2CCCOC2 7a_100000757616_100000693364 [0,1,0,0,0,1|2,0,0]=4 6356 B15R2.38 Clc1ncccc1OC2CCOCC2 7a_100000757616_100000686592 [0,1,0,0,0,1|2,0,0]=4 6357 B15R2.38 Clc1ncccc1OC2CCSCC2 34a_100000757616_100000069128 [0,1,0,0,0,1|2,0,0]=4 6358 B15R2.38 Clc1ncccc1OC2CCSCC2 7a_100000757616_100011500858 [0,1,0,0,0,1|2,0,0]=4 6359 B15R2.38 Clc1ncccc1SC2C=CCCC2 62a_100000036424_100000751183 [0,1,0,0,0,1|1,0,1]=4 6360 B15R2.38 Clc1ncccc1SC2C=CCCC2 62a_100000751183_100000036424 [0,1,0,0,0,1|1,0,1]=4 6361 B15R2.38 Clc1ncccc1SC2CCCCC2 62a_100000036424_100000210327 [0,1,0,0,0,1|1,0,0]=3 6362 B15R2.38 Clc1ncccc1SC2CCCCC2 62a_100000210327_100000036424 [0,1,0,0,0,1|1,0,0]=3 6363 B15R2.38 Clc1ncccc1SC2CCCOC2 62a_100000036424_100000693364 [0,1,0,0,0,1|2,0,0]=4 6364 B15R2.38 Clc1ncccc1SC2CCOCC2 62a_100000036424_100011324220 [0,1,0,0,0,1|2,0,0]=4 6365 B15R2.38 Clc1ncccc1SC2CCSCC2 62a_100000036424_100000069128 [0,1,0,0,0,1|2,0,0]=4 6366 B15R2.38 Clc1nccnc1SC2CCCCC2 62a_100000210327_100010886584 [0,1,0,0,0,1|2,0,0]=4 6367 B15R2.38 Clc1nccnc1SC2CCCCC2 62a_100010886584_100000210327 [0,1,0,0,0,1|2,0,0]=4 6368 B15R2.38 Clc1ncncc1SC2CCCCC2 62a_100000210327_100000758962 [0,1,0,0,0,1|2,0,0]=4 6369 B15R2.38 Clc1ncncc1SC2CCCCC2 62a_100000758962_100000210327 [0,1,0,0,0,1|2,0,0]=4 6370 B15R2.38 FC1CCCCC1Nc2ccccc2 34a_100000106764_100015423560 [0,1,0,0,0,1|2,0,0]=4 6371 B15R2.38 FC1CCCCC1Oc2ccccc2 34a_100000210340_100015423560 [0,1,0,0,0,1|2,0,0]=4 6372 B15R2.38 FC1CCCCC1Oc2cccnc2 34a_100000210849_100015423560 [0,1,0,0,0,1|1,0,0]=3 6373 B15R2.38 FC1CCCCC1Oc2ccnnc2 34a_100015204005_100015423560 [0,1,0,0,0,1|2,0,0]=4 6374 B15R2.38 FC1CCCCC1Sc2ccccc2 62a_100000719477_100015423560 [0,1,0,0,0,1|2,0,0]=4 6375 B15R2.38 FC1CCCCC1Sc2ccccc2 62a_100015423560_100000041952 [0,1,0,0,0,1|2,0,0]=4 6376 B15R2.38 FC1CCCCC1Sc2cccnc2 62a_100000210063_100015423560 [0,1,0,0,0,1|1,0,0]=3 6377 B15R2.38 FC1CCCCC1Sc2cccnc2 62a_100015423560_100000210063 [0,1,0,0,0,1|1,0,0]=3 6378 B15R2.38 FC1CCCCC1Sc2cccnn2 62a_100015423560_100016991348 [0,1,0,0,0,1|2,0,0]=4 6379 B15R2.38 FC1CCCCC1Sc2cccnn2 62a_100016991348_100015423560 [0,1,0,0,0,1|2,0,0]=4 6380 B15R2.38 FC1CCCCC1Sc2ccnnc2 62a_100000732662_100015423560 [0,1,0,0,0,1|2,0,0]=4 6381 B15R2.38 FC1CCCCC1Sc2ccnnc2 62a_100015423560_100000732662 [0,1,0,0,0,1|2,0,0]=4 6382 B15R2.38 FC1CCCCC1Sc2cnccn2 62a_100000211759_100015423560 [0,1,0,0,0,1|2,0,0]=4 6383 B15R2.38 FC1CCCCC1Sc2cnccn2 62a_100015423560_100000211759 [0,1,0,0,0,1|2,0,0]=4 6384 B15R2.38 FC1CCCCC1Sc2cncnc2 62a_100011206942_100015423560 [0,1,0,0,0,1|2,0,0]=4 6385 B15R2.38 FC1CCCCC1Sc2cncnc2 62a_100015423560_100011206942 [0,1,0,0,0,1|2,0,0]=4 6386 B15R2.38 F[C@@H]1CCCC[C@H]1Nc2cccnn2 27a_100015195156_100016991348 [0,1,0,0,0,1|2,0,0]=4 6387 B15R2.38 F[C@@H]1CCCC[C@H]1Nc2cnccn2 27a_100015195156_100000211759 [0,1,0,0,0,1|2,0,0]=4 6388 B15R2.38 Fc1ccccc1NC2CCCCC2 34a_100000210422_100000210327 [0,1,0,0,0,1|2,0,0]=4 6389 B15R2.38 Fc1ccccc1OC2CCCCC2 34a_100000210171_100000210327 [0,1,0,0,0,1|2,0,0]=4 6390 B15R2.38 Fc1ccccc1OC2CCCCC2 7a_100000210171_100000210327 [0,1,0,0,0,1|2,0,0]=4 6391 B15R2.38 Fc1ccccc1SC2CCCCC2 62a_100000210327_100011215700 [0,1,0,0,0,1|2,0,0]=4 6392 B15R2.38 Fc1ccccc1SC2CCCCC2 62a_100011215700_100000210327 [0,1,0,0,0,1|2,0,0]=4 6393 B15R2.38 Fc1ccncc1SC2C=CCCC2 62a_100000751183_100009820683 [0,1,0,0,0,1|1,0,1]=4 6394 B15R2.38 Fc1ccncc1SC2C=CCCC2 62a_100009820683_100000751183 [0,1,0,0,0,1|1,0,1]=4 6395 B15R2.38 Fc1ccncc1SC2CCCCC2 62a_100000210327_100009820683 [0,1,0,0,0,1|1,0,0]=3 6396 B15R2.38 Fc1ccncc1SC2CCCCC2 62a_100009820683_100000210327 [0,1,0,0,0,1|1,0,0]=3 6397 B15R2.38 Fc1ccncc1SC2CCCOC2 62a_100009820683_100000693364 [0,1,0,0,0,1|2,0,0]=4 6398 B15R2.38 Fc1ccncc1SC2CCOCC2 62a_100009820683_100011324220 [0,1,0,0,0,1|2,0,0]=4 6399 B15R2.38 Fc1ccncc1SC2CCSCC2 62a_100009820683_100000069128 [0,1,0,0,0,1|2,0,0]=4 6400 B15R2.38 Fc1ncccc1OC2C=CCCC2 7a_100000061740_100000751183 [0,1,0,0,0,1|1,0,1]=4 6401 B15R2.38 Fc1ncccc1OC2CCCCC2 34a_100000061740_100000210327 [0,1,0,0,0,1|1,0,0]=3 6402 B15R2.38 Fc1ncccc1OC2CCCCC2 7a_100000061740_100000210327 [0,1,0,0,0,1|1,0,0]=3 6403 B15R2.38 Fc1ncccc1OC2CCCOC2 34a_100000061740_100000693364 [0,1,0,0,0,1|2,0,0]=4 6404 B15R2.38 Fc1ncccc1OC2CCCOC2 7a_100000061740_100000693364 [0,1,0,0,0,1|2,0,0]=4 6405 B15R2.38 Fc1ncccc1OC2CCOCC2 7a_100000061740_100000686592 [0,1,0,0,0,1|2,0,0]=4 6406 B15R2.38 Fc1ncccc1OC2CCSCC2 34a_100000061740_100000069128 [0,1,0,0,0,1|2,0,0]=4 6407 B15R2.38 Fc1ncccc1OC2CCSCC2 7a_100000061740_100011500858 [0,1,0,0,0,1|2,0,0]=4 6408 B15R2.38 Fc1ncccc1SC2C=CCCC2 62a_100000751183_100009816115 [0,1,0,0,0,1|1,0,1]=4 6409 B15R2.38 Fc1ncccc1SC2C=CCCC2 62a_100009816115_100000751183 [0,1,0,0,0,1|1,0,1]=4 6410 B15R2.38 Fc1ncccc1SC2CCCCC2 62a_100000210327_100009816115 [0,1,0,0,0,1|1,0,0]=3 6411 B15R2.38 Fc1ncccc1SC2CCCCC2 62a_100009816115_100000210327 [0,1,0,0,0,1|1,0,0]=3 6412 B15R2.38 Fc1ncccc1SC2CCCOC2 62a_100009816115_100000693364 [0,1,0,0,0,1|2,0,0]=4 6413 B15R2.38 Fc1ncccc1SC2CCOCC2 62a_100009816115_100011324220 [0,1,0,0,0,1|2,0,0]=4 6414 B15R2.38 Fc1ncccc1SC2CCSCC2 62a_100009816115_100000069128 [0,1,0,0,0,1|2,0,0]=4 6415 B15R2.38 Fc1nccnc1NC2CCCCC2 27a_100000182618_200010125657 [0,1,0,0,0,1|2,0,0]=4 6416 B15R2.38 Fc1nccnc1SC2CCCCC2 62a_100000210327_200010125657 [0,1,0,0,0,1|2,0,0]=4 6417 B15R2.38 Fc1nccnc1SC2CCCCC2 62a_200010125657_100000210327 [0,1,0,0,0,1|2,0,0]=4 6418 B15R2.38 Ic1ccccc1NC2CCCCC2 34a_100000210053_100000210327 [0,1,0,0,0,1|2,0,0]=4 6419 B15R2.38 Ic1ccccc1OC2CCCCC2 34a_100000739446_100000210327 [0,1,0,0,0,1|2,0,0]=4 6420 B15R2.38 Ic1ccccc1OC2CCCCC2 7a_100000739446_100000210327 [0,1,0,0,0,1|2,0,0]=4 6421 B15R2.38 Ic1ccncc1OC2CCCCC2 34a_100000050107_100000210327 [0,1,0,0,0,1|1,0,0]=3 6422 B15R2.38 Ic1ccncc1OC2CCCOC2 34a_100000050107_100000693364 [0,1,0,0,0,1|2,0,0]=4 6423 B15R2.38 Ic1ccncc1OC2CCSCC2 34a_100000050107_100000069128 [0,1,0,0,0,1|2,0,0]=4 6424 B15R2.38 Ic1ncccc1OC2C=CCCC2 7a_100000034122_100000751183 [0,1,0,0,0,1|1,0,1]=4 6425 B15R2.38 Ic1ncccc1OC2CCCCC2 34a_100000034122_100000210327 [0,1,0,0,0,1|1,0,0]=3 6426 B15R2.38 Ic1ncccc1OC2CCCCC2 7a_100000034122_100000210327 [0,1,0,0,0,1|1,0,0]=3 6427 B15R2.38 Ic1ncccc1OC2CCCOC2 34a_100000034122_100000693364 [0,1,0,0,0,1|2,0,0]=4 6428 B15R2.38 Ic1ncccc1OC2CCCOC2 7a_100000034122_100000693364 [0,1,0,0,0,1|2,0,0]=4 6429 B15R2.38 Ic1ncccc1OC2CCOCC2 7a_100000034122_100000686592 [0,1,0,0,0,1|2,0,0]=4 6430 B15R2.38 Ic1ncccc1OC2CCSCC2 34a_100000034122_100000069128 [0,1,0,0,0,1|2,0,0]=4 6431 B15R2.38 Ic1ncccc1OC2CCSCC2 7a_100000034122_100011500858 [0,1,0,0,0,1|2,0,0]=4 6432 B15R2.38 Nc1ccccc1OC2CCCCC2 34a_100000185747_100000210327 [0,1,0,0,0,1|2,0,0]=4 6433 B15R2.38 Nc1ccccc1OC2CCCCC2 7a_100000185747_100000210327 [0,1,0,0,0,1|2,0,0]=4 6434 B15R2.38 Nc1ccccc1SC2CCCCC2 62a_100000210017_100000210327 [0,1,0,0,0,1|2,0,0]=4 6435 B15R2.38 Nc1ccccc1SC2CCCCC2 62a_100000210327_100000210017 [0,1,0,0,0,1|2,0,0]=4 6436 B15R2.38 Nc1ccncc1OC2CCCCC2 34a_100000753702_100000210327 [0,1,0,0,0,1|1,0,0]=3 6437 B15R2.38 Nc1ccncc1OC2CCCOC2 34a_100000753702_100000693364 [0,1,0,0,0,1|2,0,0]=4 6438 B15R2.38 Nc1ccncc1OC2CCSCC2 34a_100000753702_100000069128 [0,1,0,0,0,1|2,0,0]=4 6439 B15R2.38 Nc1ccncc1SC2C=CCCC2 62a_100000047001_100000751183 [0,1,0,0,0,1|1,0,1]=4 6440 B15R2.38 Nc1ccncc1SC2C=CCCC2 62a_100000751183_100000047001 [0,1,0,0,0,1|1,0,1]=4 6441 B15R2.38 Nc1ccncc1SC2CCCCC2 62a_100000047001_100000210327 [0,1,0,0,0,1|1,0,0]=3 6442 B15R2.38 Nc1ccncc1SC2CCCCC2 62a_100000210327_100000047001 [0,1,0,0,0,1|1,0,0]=3 6443 B15R2.38 Nc1ccncc1SC2CCCOC2 62a_100000047001_100000693364 [0,1,0,0,0,1|2,0,0]=4 6444 B15R2.38 Nc1ccncc1SC2CCOCC2 62a_100000047001_100011324220 [0,1,0,0,0,1|2,0,0]=4 6445 B15R2.38 Nc1ccncc1SC2CCSCC2 62a_100000047001_100000069128 [0,1,0,0,0,1|2,0,0]=4 6446 B15R2.38 Nc1cnncc1SC2CCCCC2 62a_100000210327_100009829405 [0,1,0,0,0,1|2,0,0]=4 6447 B15R2.38 Nc1cnncc1SC2CCCCC2 62a_100009829405_100000210327 [0,1,0,0,0,1|2,0,0]=4 6448 B15R2.38 Nc1ncccc1OC2C=CCCC2 7a_100000211975_100000751183 [0,1,0,0,0,1|1,0,1]=4 6449 B15R2.38 Nc1ncccc1OC2CCCCC2 34a_100000211975_100000210327 [0,1,0,0,0,1|1,0,0]=3 6450 B15R2.38 Nc1ncccc1OC2CCCCC2 7a_100000211975_100000210327 [0,1,0,0,0,1|1,0,0]=3 6451 B15R2.38 Nc1ncccc1OC2CCCOC2 34a_100000211975_100000693364 [0,1,0,0,0,1|2,0,0]=4 6452 B15R2.38 Nc1ncccc1OC2CCCOC2 7a_100000211975_100000693364 [0,1,0,0,0,1|2,0,0]=4 6453 B15R2.38 Nc1ncccc1OC2CCOCC2 7a_100000211975_100000686592 [0,1,0,0,0,1|2,0,0]=4 6454 B15R2.38 Nc1ncccc1OC2CCSCC2 34a_100000211975_100000069128 [0,1,0,0,0,1|2,0,0]=4 6455 B15R2.38 Nc1ncccc1OC2CCSCC2 7a_100000211975_100011500858 [0,1,0,0,0,1|2,0,0]=4 6456 B15R2.38 Nc1ncccc1SC2C=CCCC2 62a_100000045569_100000751183 [0,1,0,0,0,1|1,0,1]=4 6457 B15R2.38 Nc1ncccc1SC2C=CCCC2 62a_100000751183_100000045569 [0,1,0,0,0,1|1,0,1]=4 6458 B15R2.38 Nc1ncccc1SC2CCCCC2 62a_100000045569_100000210327 [0,1,0,0,0,1|1,0,0]=3 6459 B15R2.38 Nc1ncccc1SC2CCCCC2 62a_100000210327_100000045569 [0,1,0,0,0,1|1,0,0]=3 6460 B15R2.38 Nc1ncccc1SC2CCCOC2 62a_100000045569_100000693364 [0,1,0,0,0,1|2,0,0]=4 6461 B15R2.38 Nc1ncccc1SC2CCOCC2 62a_100000045569_100011324220 [0,1,0,0,0,1|2,0,0]=4 6462 B15R2.38 Nc1ncccc1SC2CCSCC2 62a_100000045569_100000069128 [0,1,0,0,0,1|2,0,0]=4 6463 B15R2.38 Nc1nccnc1SC2CCCCC2 62a_100000210327_100000747729 [0,1,0,0,0,1|2,0,0]=4 6464 B15R2.38 Nc1nccnc1SC2CCCCC2 62a_100000747729_100000210327 [0,1,0,0,0,1|2,0,0]=4 6465 B15R2.38 Nc1ncncc1OC2CCCCC2 7a_100000112926_100000210327 [0,1,0,0,0,1|2,0,0]=4 6466 B15R2.38 Nc1ncncc1SC2CCCCC2 62a_100000210327_100011996079 [0,1,0,0,0,1|2,0,0]=4 6467 B15R2.38 Nc1ncncc1SC2CCCCC2 62a_100011996079_100000210327 [0,1,0,0,0,1|2,0,0]=4 6468 B15R2.38 O=C1CCCCC1Nc2ccccc2 34a_100000106764_100000754470 [0,1,0,0,0,1|2,0,0]=4 6469 B15R2.38 O=C1CCCCC1Oc2ccccc2 34a_100000210340_100000754470 [0,1,0,0,0,1|2,0,0]=4 6470 B15R2.38 O=C1CCCCC1Oc2ccccc2 7a_100000210340_100000204591 [0,1,0,0,0,1|2,0,0]=4 6471 B15R2.38 O=C1CCCCC1Oc2cccnc2 34a_100000210849_100000754470 [0,1,0,0,0,1|1,0,0]=3 6472 B15R2.38 O=C1CCCCC1Oc2cccnc2 7a_100000210849_100000204591 [0,1,0,0,0,1|1,0,0]=3 6473 B15R2.38 O=C1CCCCC1Oc2ccnnc2 34a_100015204005_100000754470 [0,1,0,0,0,1|2,0,0]=4 6474 B15R2.38 O=C1CCCCC1Oc2cncnc2 7a_100000754086_100000204591 [0,1,0,0,0,1|2,0,0]=4 6475 B15R2.38 O=C1CCCCC1Sc2ccccc2 62a_100000204591_100000041952 [0,1,0,0,0,1|2,0,0]=4 6476 B15R2.38 O=C1CCCCC1Sc2ccccc2 62a_100000719477_100000204591 [0,1,0,0,0,1|2,0,0]=4 6477 B15R2.38 O=C1CCCCC1Sc2cccnc2 62a_100000204591_100000210063 [0,1,0,0,0,1|1,0,0]=3 6478 B15R2.38 O=C1CCCCC1Sc2cccnc2 62a_100000210063_100000204591 [0,1,0,0,0,1|1,0,0]=3 6479 B15R2.38 O=C1CCCCC1Sc2cccnn2 62a_100000204591_100016991348 [0,1,0,0,0,1|2,0,0]=4 6480 B15R2.38 O=C1CCCCC1Sc2cccnn2 62a_100016991348_100000204591 [0,1,0,0,0,1|2,0,0]=4 6481 B15R2.38 O=C1CCCCC1Sc2ccnnc2 62a_100000204591_100000732662 [0,1,0,0,0,1|2,0,0]=4 6482 B15R2.38 O=C1CCCCC1Sc2ccnnc2 62a_100000732662_100000204591 [0,1,0,0,0,1|2,0,0]=4 6483 B15R2.38 O=C1CCCCC1Sc2cnccn2 62a_100000204591_100000211759 [0,1,0,0,0,1|2,0,0]=4 6484 B15R2.38 O=C1CCCCC1Sc2cnccn2 62a_100000211759_100000204591 [0,1,0,0,0,1|2,0,0]=4 6485 B15R2.38 O=C1CCCCC1Sc2cncnc2 62a_100000204591_100011206942 [0,1,0,0,0,1|2,0,0]=4 6486 B15R2.38 O=C1CCCCC1Sc2cncnc2 62a_100011206942_100000204591 [0,1,0,0,0,1|2,0,0]=4 6487 B15R2.38 O=C1CCOCC1Oc2cccnc2 34a_100000210849_100012180262 [0,1,0,0,0,1|2,0,0]=4 6488 B15R2.38 O=C1CCOCC1Oc2cccnc2 7a_100000210849_100012180262 [0,1,0,0,0,1|2,0,0]=4 6489 B15R2.38 O=C1CCOCC1Sc2cccnc2 62a_100000210063_100012180262 [0,1,0,0,0,1|2,0,0]=4 6490 B15R2.38 O=C1CCOCC1Sc2cccnc2 62a_100012180262_100000210063 [0,1,0,0,0,1|2,0,0]=4 6491 B15R2.38 O=C1NCCCC1Oc2cccnc2 34a_100000210849_100000687798 [0,1,0,0,0,1|2,0,0]=4 6492 B15R2.38 O=C1NCCCC1Oc2cccnc2 7a_100000210849_100000687798 [0,1,0,0,0,1|2,0,0]=4 6493 B15R2.38 O=C1NCCCC1Sc2cccnc2 62a_100000210063_100000687798 [0,1,0,0,0,1|2,0,0]=4 6494 B15R2.38 O=C1NCCCC1Sc2cccnc2 62a_100000687798_100000210063 [0,1,0,0,0,1|2,0,0]=4 6495 B15R2.38 O=c1cc[nH]cc1SC2CCCCC2 62a_100000210327_100009998708 [0,1,0,0,0,1|1,0,1]=4 6496 B15R2.38 O=c1cc[nH]cc1SC2CCCCC2 62a_100009998708_100000210327 [0,1,0,0,0,1|1,0,1]=4 6497 B15R2.38 O=c1ccocc1OC2CCCCC2 34a_100000060831_100000210327 [0,1,0,0,0,1|2,0,0]=4 6498 B15R2.38 O=c1occcc1OC2CCCCC2 34a_100000077404_100000210327 [0,1,0,0,0,1|2,0,0]=4 6499 B15R2.38 O=c1occcc1OC2CCCCC2 7a_100000077404_100000210327 [0,1,0,0,0,1|2,0,0]=4 6500 B15R2.38 OC1CCCCC1Nc2ccccc2 34a_100000106764_100000038908 [0,1,0,0,0,1|2,0,0]=4 6501 B15R2.38 OC1CCCCC1Oc2ccccc2 34a_100000210340_100000038908 [0,1,0,0,0,1|2,0,0]=4 6502 B15R2.38 OC1CCCCC1Oc2cccnc2 34a_100000210849_100000038908 [0,1,0,0,0,1|1,0,0]=3 6503 B15R2.38 OC1CCCCC1Oc2ccnnc2 34a_100015204005_100000038908 [0,1,0,0,0,1|2,0,0]=4 6504 B15R2.38 OC1CCCCC1Sc2ccccc2 62a_100000038908_100000041952 [0,1,0,0,0,1|2,0,0]=4 6505 B15R2.38 OC1CCCCC1Sc2ccccc2 62a_100000719477_100000038908 [0,1,0,0,0,1|2,0,0]=4 6506 B15R2.38 OC1CCCCC1Sc2cccnc2 62a_100000038908_100000210063 [0,1,0,0,0,1|1,0,0]=3 6507 B15R2.38 OC1CCCCC1Sc2cccnc2 62a_100000210063_100000038908 [0,1,0,0,0,1|1,0,0]=3 6508 B15R2.38 OC1CCCCC1Sc2cccnn2 62a_100000038908_100016991348 [0,1,0,0,0,1|2,0,0]=4 6509 B15R2.38 OC1CCCCC1Sc2cccnn2 62a_100016991348_100000038908 [0,1,0,0,0,1|2,0,0]=4 6510 B15R2.38 OC1CCCCC1Sc2ccnnc2 62a_100000038908_100000732662 [0,1,0,0,0,1|2,0,0]=4 6511 B15R2.38 OC1CCCCC1Sc2ccnnc2 62a_100000732662_100000038908 [0,1,0,0,0,1|2,0,0]=4 6512 B15R2.38 OC1CCCCC1Sc2cnccn2 62a_100000038908_100000211759 [0,1,0,0,0,1|2,0,0]=4 6513 B15R2.38 OC1CCCCC1Sc2cnccn2 62a_100000211759_100000038908 [0,1,0,0,0,1|2,0,0]=4 6514 B15R2.38 OC1CCCCC1Sc2cncnc2 62a_100000038908_100011206942 [0,1,0,0,0,1|2,0,0]=4 6515 B15R2.38 OC1CCCCC1Sc2cncnc2 62a_100011206942_100000038908 [0,1,0,0,0,1|2,0,0]=4 6516 B15R2.38 O[C@H]1CCCC[C@H]1Nc2cccnn2 27a_100015191688_100016991348 [0,1,0,0,0,1|2,0,0]=4 6517 B15R2.38 O[C@H]1CCCC[C@H]1Nc2cnccn2 27a_100015191688_100000211759 [0,1,0,0,0,1|2,0,0]=4 6518 B15R2.38 Oc1ccccc1NC2CCCCC2 34a_100000185747_100000210327 [0,1,0,0,0,1|2,0,0]=4 6519 B15R2.38 Oc1ccccc1OC2CCCCC2 271570a_203496583355_200011235867 [0,1,0,0,0,1|2,0,0]=4 6520 B15R2.38 Oc1ccccc1SC2CCCCC2 62a_100000210327_100000739446 [0,1,0,0,0,1|2,0,0]=4 6521 B15R2.38 Oc1ccccc1SC2CCCCC2 62a_100000739446_100000210327 [0,1,0,0,0,1|2,0,0]=4 6522 B15R2.38 Oc1ncccc1SC2C=CCCC2 62a_100000751183_100000760158 [0,1,0,0,0,1|1,0,1]=4 6523 B15R2.38 Oc1ncccc1SC2C=CCCC2 62a_100000760158_100000751183 [0,1,0,0,0,1|1,0,1]=4 6524 B15R2.38 Oc1ncccc1SC2CCCCC2 62a_100000210327_100000760158 [0,1,0,0,0,1|1,0,0]=3 6525 B15R2.38 Oc1ncccc1SC2CCCCC2 62a_100000760158_100000210327 [0,1,0,0,0,1|1,0,0]=3 6526 B15R2.38 Oc1ncccc1SC2CCCOC2 62a_100000760158_100000693364 [0,1,0,0,0,1|2,0,0]=4 6527 B15R2.38 Oc1ncccc1SC2CCOCC2 62a_100000760158_100011324220 [0,1,0,0,0,1|2,0,0]=4 6528 B15R2.38 Oc1ncccc1SC2CCSCC2 62a_100000760158_100000069128 [0,1,0,0,0,1|2,0,0]=4 6529 B15R2.38 Oc1ncncc1SC2CCCCC2 62a_100000210327_100000751107 [0,1,0,0,0,1|2,0,0]=4 6530 B15R2.38 Oc1ncncc1SC2CCCCC2 62a_100000751107_100000210327 [0,1,0,0,0,1|2,0,0]=4 6531 B15R2.38 S=c1cc[nH]cc1SC2CCCCC2 62a_100000210327_200012280681 [0,1,0,0,0,1|1,0,1]=4 6532 B15R2.38 S=c1cc[nH]cc1SC2CCCCC2 62a_200012280681_100000210327 [0,1,0,0,0,1|1,0,1]=4 6533 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 2230a_100000748602_200025704644 [0,1,0,0,0,1|1,0,0]=3 6534 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 269982a_100000748602_200025704644 [0,1,0,0,0,1|1,0,0]=3 6535 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 34a_100000748602_200025704644 [0,1,0,0,0,1|1,0,0]=3 6536 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 2230a_100011997240_200025704644 [0,1,0,0,0,1|2,0,0]=4 6537 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 269982a_100011997240_200025704644 [0,1,0,0,0,1|2,0,0]=4 6538 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 34a_100011997240_200025704644 [0,1,0,0,0,1|2,0,0]=4 6539 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200025704644 [0,1,0,0,0,1|2,0,0]=4 6540 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200025704644 [0,1,0,0,0,1|2,0,0]=4 6541 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200025704644 [0,1,0,0,0,1|2,0,0]=4 6542 B15R2.2226 CN(c1ccccc1)C2CCCCC2 2230a_100000181333_200000210301 [0,1,0,0,0,1|2,0,0]=4 6543 B15R2.2226 CN(c1ccccc1)C2CCCCC2 269982a_100000181333_200000210301 [0,1,0,0,0,1|2,0,0]=4 6544 B15R2.2226 CN(c1ccccc1)C2CCCCC2 269982a_100000210012_100000210327 [0,1,0,0,0,1|2,0,0]=4 6545 B15R2.2226 CN(c1ccccc1)C2CCCCC2 34a_100000181333_200000210301 [0,1,0,0,0,1|2,0,0]=4 6546 B15R2.2226 CN(c1ccccc1)C2CCCCC2 34a_100000210012_100000210327 [0,1,0,0,0,1|2,0,0]=4 6547 B15R2.2226 CN(c1ccccc1)C2CCCCC2 7a_100000181333_200000210301 [0,1,0,0,0,1|2,0,0]=4 6548 B15R2.2226 CN(c1cccnn1)C2CCCCC2 27a_100000207522_100016991348 [0,1,0,0,0,1|2,0,0]=4 6549 B15R2.2226 CN(c1cnccn1)C2CCCCC2 27a_100000207522_100000211759 [0,1,0,0,0,1|2,0,0]=4 6550 B15R2.2226 O=C(c1ccccc1)C2CCCCC2 1458a_100000185807_100000210327 [0,1,0,0,0,1|2,0,0]=4 6551 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 2230a_100000181333_200025704644 [0,1,0,0,0,1|2,0,0]=4 6552 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 269982a_100000181333_200025704644 [0,1,0,0,0,1|2,0,0]=4 6553 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 34a_100000181333_200025704644 [0,1,0,0,0,1|2,0,0]=4 6554 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 7a_100000181333_200025704644 [0,1,0,0,0,1|2,0,0]=4 6555 B15R2.54 CN1CCCCCC1c2cccnc2 2230a_100011283942_200000210301 [0,1,0,0,0,1|0,0,0]=2 6556 B15R2.54 CN1CCCCCC1c2cccnc2 269982a_100011283942_200000210301 [0,1,0,0,0,1|0,0,0]=2 6557 B15R2.54 CN1CCCCCC1c2cccnc2 34a_100011283942_200000210301 [0,1,0,0,0,1|0,0,0]=2 6558 B15R2.54 CN1CCCCCC1c2ccncc2 2230a_200000739733_200000210301 [0,1,0,0,0,1|2,0,0]=4 6559 B15R2.54 CN1CCCCCC1c2ccncc2 269982a_200000739733_200000210301 [0,1,0,0,0,1|2,0,0]=4 6560 B15R2.54 CN1CCCCCC1c2ccncc2 34a_200000739733_200000210301 [0,1,0,0,0,1|2,0,0]=4 6561 B15R2.54 [13CH3]N1CCCCCC1c2cccnc2 2230a_100011283942_200025704644 [0,1,0,0,0,1|0,0,0]=2 6562 B15R2.54 [13CH3]N1CCCCCC1c2cccnc2 269982a_100011283942_200025704644 [0,1,0,0,0,1|0,0,0]=2 6563 B15R2.54 [13CH3]N1CCCCCC1c2cccnc2 34a_100011283942_200025704644 [0,1,0,0,0,1|0,0,0]=2 6564 B15R2.54 [13CH3]N1CCCCCC1c2ccncc2 2230a_200000739733_200025704644 [0,1,0,0,0,1|2,0,0]=4 6565 B15R2.54 [13CH3]N1CCCCCC1c2ccncc2 269982a_200000739733_200025704644 [0,1,0,0,0,1|2,0,0]=4 6566 B15R2.54 [13CH3]N1CCCCCC1c2ccncc2 34a_200000739733_200025704644 [0,1,0,0,0,1|2,0,0]=4 6567 B15R2.548 CN1CCCC(CC1)c2ccccc2 2230a_100015185863_200000210301 [0,1,0,0,0,1|2,0,0]=4 6568 B15R2.548 CN1CCCC(CC1)c2ccccc2 269982a_100015185863_200000210301 [0,1,0,0,0,1|2,0,0]=4 6569 B15R2.548 CN1CCCC(CC1)c2ccccc2 34a_100015185863_200000210301 [0,1,0,0,0,1|2,0,0]=4 6570 B15R2.548 CN1CCCN(CC1)c2cccnc2 2230a_106741647137_200000210301 [0,1,0,0,0,1|2,0,0]=4 6571 B15R2.548 CN1CCCN(CC1)c2cccnc2 269982a_106741647137_200000210301 [0,1,0,0,0,1|2,0,0]=4 6572 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 2230a_100015185863_200025704644 [0,1,0,0,0,1|2,0,0]=4 6573 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 269982a_100015185863_200025704644 [0,1,0,0,0,1|2,0,0]=4 6574 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 34a_100015185863_200025704644 [0,1,0,0,0,1|2,0,0]=4 6575 B15R2.548 [13CH3]N1CCCN(CC1)c2cccnc2 2230a_106741647137_200025704644 [0,1,0,0,0,1|2,0,0]=4 6576 B15R2.548 [13CH3]N1CCCN(CC1)c2cccnc2 269982a_106741647137_200025704644 [0,1,0,0,0,1|2,0,0]=4 6577 B15R2.6968 Brc1ccc(cn1)C2=CCCCCC2 271570a_200009888920_100009814638 [0,1,0,0,0,1|1,0,1]=4 6578 B15R2.6968 Cc1ccc(cn1)C2=CCCCCC2 271570a_200009888920_100000751577 [0,1,0,0,0,1|1,0,1]=4 6579 B15R2.6968 Clc1ccc(cn1)C2=CCCCCC2 271570a_200009888920_100000034144 [0,1,0,0,0,1|1,0,1]=4 6580 B15R2.6968 Fc1ccc(cn1)C2=CCCCCC2 271570a_200009888920_100000748661 [0,1,0,0,0,1|1,0,1]=4 6581 B15R2.6968 Nc1ccc(cn1)C2=CCCCCC2 271570a_200009888920_100000187370 [0,1,0,0,0,1|1,0,1]=4 6582 B15R2.7124 Brc1cncc(c1)C2=CCCCCC2 271570a_200009888920_100000728054 [0,1,0,0,0,1|1,0,1]=4 6583 B15R2.7124 Cc1cncc(c1)C2=CCCCCC2 271570a_200009888920_100000760492 [0,1,0,0,0,1|1,0,1]=4 6584 B15R2.7124 Clc1cncc(c1)C2=CCCCCC2 271570a_200009888920_100000049639 [0,1,0,0,0,1|1,0,1]=4 6585 B15R2.7124 Fc1cncc(c1)C2=CCCCCC2 271570a_200009888920_100000744099 [0,1,0,0,0,1|1,0,1]=4 6586 B15R2.7124 Nc1cncc(c1)C2=CCCCCC2 271570a_200009888920_100000687067 [0,1,0,0,0,1|1,0,1]=4 6587 B15R2.7124 Oc1cncc(c1)C2=CCCCCC2 271570a_200009888920_100000754920 [0,1,0,0,0,1|1,0,1]=4 6588 B15R2.8789 Brc1ccncc1C2=CCCCCC2 271570a_200009888920_100010138639 [0,1,0,0,0,1|1,0,1]=4 6589 B15R2.8789 Brc1ncccc1C2=CCCCCC2 271570a_200009888920_100010202626 [0,1,0,0,0,1|1,0,1]=4 6590 B15R2.8789 Cc1ccncc1C2=CCCCCC2 271570a_200009888920_100000761580 [0,1,0,0,0,1|1,0,1]=4 6591 B15R2.8789 Cc1ncccc1C2=CCCCCC2 271570a_200009888920_100000751574 [0,1,0,0,0,1|1,0,1]=4 6592 B15R2.8789 Clc1ccncc1C2=CCCCCC2 271570a_200009888920_100009995489 [0,1,0,0,0,1|1,0,1]=4 6593 B15R2.8789 Clc1ncccc1C2=CCCCCC2 271570a_200009888920_100000036424 [0,1,0,0,0,1|1,0,1]=4 6594 B15R2.8789 Fc1ccncc1C2=CCCCCC2 271570a_200009888920_100009820683 [0,1,0,0,0,1|1,0,1]=4 6595 B15R2.8789 Fc1ncccc1C2=CCCCCC2 271570a_200009888920_100009816115 [0,1,0,0,0,1|1,0,1]=4 6596 B15R2.8789 Nc1ccncc1C2=CCCCCC2 271570a_200009888920_100000047001 [0,1,0,0,0,1|1,0,1]=4 6597 B15R2.8789 Nc1ncccc1C2=CCCCCC2 271570a_200009888920_100000045569 [0,1,0,0,0,1|1,0,1]=4 6598 B15R2.17 CCc1cncc(c1)C2=CCCCC2 271570a_100000062251_200009819073 [0,2,0,0,0,0|1,0,1]=4 6599 B15R2.17 CNC1CCCC(C1)c2ccccc2 270004a_106832991635_100000718469 [0,2,0,0,0,0|2,0,0]=4 6600 B15R2.17 CNC1CCOC(C1)c2ccccc2 270004a_106832991635_100011986434 [0,2,0,0,0,0|2,0,0]=4 6601 B15R2.17 CNc1cncc(c1)C2=CCCCC2 271570a_100000062251_100012184536 [0,2,0,0,0,0|1,0,1]=4 6602 B15R2.17 COC1CCOC(C1)c2ccccc2 34a_100000692292_200000210301 [0,2,0,0,0,0|2,0,0]=4 6603 B15R2.17 COC1CCOC(C1)c2ccccc2 7a_100000692292_200000210301 [0,2,0,0,0,0|2,0,0]=4 6604 B15R2.17 COc1cccc(c1)C2CCCCC2 34a_200009862072_200000210301 [0,2,0,0,0,0|2,0,0]=4 6605 B15R2.17 COc1cccc(c1)C2CCCCC2 7a_200009862072_200000210301 [0,2,0,0,0,0|2,0,0]=4 6606 B15R2.17 COc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000684773 [0,2,0,0,0,0|1,0,1]=4 6607 B15R2.17 CSc1cncc(c1)C2=CCCCC2 271570a_100000062251_100009816972 [0,2,0,0,0,0|1,0,1]=4 6608 B15R2.17 N#Cc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000686085 [0,2,0,0,0,0|1,0,1]=4 6609 B15R2.17 NCc1cncc(c1)C2=CCCCC2 271570a_100000062251_100011249555 [0,2,0,0,0,0|1,0,1]=4 6610 B15R2.17 NNc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000727789 [0,2,0,0,0,0|1,0,1]=4 6611 B15R2.17 O=Cc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000687066 [0,2,0,0,0,0|1,0,1]=4 6612 B15R2.17 OCc1cncc(c1)C2=CCCCC2 271570a_100000062251_100011259137 [0,2,0,0,0,0|1,0,1]=4 6613 B15R2.17 [13CH3]OC1CCOC(C1)c2ccccc2 34a_100000692292_200025704644 [0,2,0,0,0,0|2,0,0]=4 6614 B15R2.17 [13CH3]OC1CCOC(C1)c2ccccc2 7a_100000692292_200025704644 [0,2,0,0,0,0|2,0,0]=4 6615 B15R2.17 [13CH3]Oc1cccc(c1)C2CCCCC2 34a_200009862072_200025704644 [0,2,0,0,0,0|2,0,0]=4 6616 B15R2.17 [13CH3]Oc1cccc(c1)C2CCCCC2 7a_200009862072_200025704644 [0,2,0,0,0,0|2,0,0]=4 6617 B15R2.28 CC1CC=C(CC1)c2cncc(c2)Br 271570a_100010240233_100000728054 [0,2,0,0,0,0|1,0,1]=4 6618 B15R2.28 CC1CC=C(CC1)c2cncc(c2)Cl 271570a_100010240233_100000049639 [0,2,0,0,0,0|1,0,1]=4 6619 B15R2.28 CC1CC=C(CC1)c2cncc(c2)F 271570a_100010240233_100000744099 [0,2,0,0,0,0|1,0,1]=4 6620 B15R2.28 CC1CC=C(CC1)c2cncc(c2)N 271570a_100010240233_100000687067 [0,2,0,0,0,0|1,0,1]=4 6621 B15R2.28 CC1CC=C(CC1)c2cncc(c2)O 271570a_100010240233_100000754920 [0,2,0,0,0,0|1,0,1]=4 6622 B15R2.28 Cc1cncc(c1)C2=CCC(CC2)C 271570a_100010240233_100000760492 [0,2,0,0,0,0|1,0,1]=4 6623 B15R2.28 Cc1cncc(c1)C2=CCC(CC2)O 271570a_100010254553_100000760492 [0,2,0,0,0,0|1,0,1]=4 6624 B15R2.28 Nc1cncc(c1)C2=CCC(CC2)O 271570a_100010254553_100000687067 [0,2,0,0,0,0|1,0,1]=4 6625 B15R2.28 OC1CC=C(CC1)c2cncc(c2)Br 271570a_100010254553_100000728054 [0,2,0,0,0,0|1,0,1]=4 6626 B15R2.28 OC1CC=C(CC1)c2cncc(c2)Cl 271570a_100010254553_100000049639 [0,2,0,0,0,0|1,0,1]=4 6627 B15R2.28 OC1CC=C(CC1)c2cncc(c2)F 271570a_100010254553_100000744099 [0,2,0,0,0,0|1,0,1]=4 6628 B15R2.28 Oc1cncc(c1)C2=CCC(CC2)O 271570a_100010254553_100000754920 [0,2,0,0,0,0|1,0,1]=4 6629 B15R2.32 Cc1c(cncc1C2=CCCCC2)Br 271570a_100000062251_100010109657 [0,2,0,0,0,0|1,0,1]=4 6630 B15R2.32 Cc1c(cncc1C2=CCCCC2)F 271570a_100000062251_100009881546 [0,2,0,0,0,0|1,0,1]=4 6631 B15R2.32 Cc1c(cncc1C2=CCCCC2)N 271570a_100000062251_100011998293 [0,2,0,0,0,0|1,0,1]=4 6632 B15R2.32 Cc1cncc(c1C)C2=CCCCC2 271570a_100000062251_100009864703 [0,2,0,0,0,0|1,0,1]=4 6633 B15R2.32 Cc1cncc(c1N)C2=CCCCC2 271570a_100000062251_100009818025 [0,2,0,0,0,0|1,0,1]=4 6634 B15R2.32 Nc1c(cncc1C2=CCCCC2)Br 271570a_100000062251_100011290786 [0,2,0,0,0,0|1,0,1]=4 6635 B15R2.32 Nc1c(cncc1C2=CCCCC2)Cl 271570a_100000062251_100000684942 [0,2,0,0,0,0|1,0,1]=4 6636 B15R2.32 Nc1c(cncc1C2=CCCCC2)F 271570a_100000062251_100009880649 [0,2,0,0,0,0|1,0,1]=4 6637 B15R2.32 Nc1cncc(c1N)C2=CCCCC2 271570a_100000062251_100000694774 [0,2,0,0,0,0|1,0,1]=4 6638 B15R2.33 CN1CCN(C(C1)c2ccccc2)C 2230a_100000212268_200000210301 [0,2,0,0,0,0|2,0,0]=4 6639 B15R2.33 CN1CCN(C(C1)c2ccccc2)C 269982a_100000212268_200000210301 [0,2,0,0,0,0|2,0,0]=4 6640 B15R2.33 CN1CCN(C(C1)c2ccccc2)[13CH3] 2230a_100000212268_200025704644 [0,2,0,0,0,0|2,0,0]=4 6641 B15R2.33 CN1CCN(C(C1)c2ccccc2)[13CH3] 269982a_100000212268_200025704644 [0,2,0,0,0,0|2,0,0]=4 6642 B15R2.33 Cc1cnc(c(c1)C2=CCCCC2)C 271570a_100000062251_100009817436 [0,2,0,0,0,0|1,0,1]=4 6643 B15R2.33 Cc1cnc(c(c1)C2=CCCCC2)Cl 271570a_100000062251_100010210167 [0,2,0,0,0,0|1,0,1]=4 6644 B15R2.33 Cc1cnc(c(c1)C2=CCCCC2)F 271570a_100000062251_100000049784 [0,2,0,0,0,0|1,0,1]=4 6645 B15R2.33 Cc1cnc(c(c1)C2=CCCCC2)N 271570a_100000062251_100000049664 [0,2,0,0,0,0|1,0,1]=4 6646 B15R2.33 Cc1cnc(c(c1)C2=CCCCC2)O 271570a_100000062251_100000049931 [0,2,0,0,0,0|1,0,1]=4 6647 B15R2.33 Cc1ncc(cc1C2=CCCCC2)Br 271570a_100000062251_200010090566 [0,2,0,0,0,0|1,0,1]=4 6648 B15R2.33 Cc1ncc(cc1C2=CCCCC2)F 271570a_100000062251_100009860710 [0,2,0,0,0,0|1,0,1]=4 6649 B15R2.33 Cc1ncc(cc1C2=CCCCC2)N 271570a_100000062251_100011998591 [0,2,0,0,0,0|1,0,1]=4 6650 B15R2.33 Cc1ncc(cc1C2=CCCCC2)O 271570a_100000062251_100009819603 [0,2,0,0,0,0|1,0,1]=4 6651 B15R2.33 Clc1cnc(c(c1)C2=CCCCC2)Cl 271570a_100000062251_200000062399 [0,2,0,0,0,0|1,0,1]=4 6652 B15R2.33 Clc1ncc(cc1C2=CCCCC2)Br 271570a_100000062251_100009814771 [0,2,0,0,0,0|1,0,1]=4 6653 B15R2.33 Fc1cnc(c(c1)C2=CCCCC2)F 271570a_100000062251_100009820768 [0,2,0,0,0,0|1,0,1]=4 6654 B15R2.33 Fc1ncc(cc1C2=CCCCC2)Br 271570a_100000062251_100010172738 [0,2,0,0,0,0|1,0,1]=4 6655 B15R2.33 Fc1ncc(cc1C2=CCCCC2)Cl 271570a_100000062251_100010188783 [0,2,0,0,0,0|1,0,1]=4 6656 B15R2.33 Nc1cnc(c(c1)C2=CCCCC2)Br 271570a_100000062251_100010201102 [0,2,0,0,0,0|1,0,1]=4 6657 B15R2.33 Nc1cnc(c(c1)C2=CCCCC2)Cl 271570a_100000062251_100010253917 [0,2,0,0,0,0|1,0,1]=4 6658 B15R2.33 Nc1cnc(c(c1)C2=CCCCC2)F 271570a_100000062251_100009840397 [0,2,0,0,0,0|1,0,1]=4 6659 B15R2.33 Nc1cnc(c(c1)C2=CCCCC2)N 271570a_100000062251_200011934315 [0,2,0,0,0,0|1,0,1]=4 6660 B15R2.33 Nc1ncc(cc1C2=CCCCC2)Br 271570a_100000062251_100000760472 [0,2,0,0,0,0|1,0,1]=4 6661 B15R2.33 Nc1ncc(cc1C2=CCCCC2)Cl 271570a_100000062251_100000050159 [0,2,0,0,0,0|1,0,1]=4 6662 B15R2.33 Nc1ncc(cc1C2=CCCCC2)F 271570a_100000062251_100009814671 [0,2,0,0,0,0|1,0,1]=4 6663 B15R2.33 Nc1ncc(cc1N2CCCCC2)O 271570a_203496583355_200020672568 [0,2,0,0,0,0|2,0,0]=4 6664 B15R2.33 Oc1cnc(c(c1)C2=CCCCC2)F 271570a_100000062251_100009817267 [0,2,0,0,0,0|1,0,1]=4 6665 B15R2.33 Oc1ncc(cc1C2=CCCCC2)Br 271570a_100000062251_100010197142 [0,2,0,0,0,0|1,0,1]=4 6666 B15R2.33 Oc1ncc(cc1C2=CCCCC2)Cl 271570a_100000062251_100010188700 [0,2,0,0,0,0|1,0,1]=4 6667 B15R2.94 Cc1cc(cnc1Br)C2=CCCCC2 271570a_100000062251_100009816107 [0,2,0,0,0,0|1,0,1]=4 6668 B15R2.94 Cc1cc(cnc1C)C2=CCCCC2 271570a_100000062251_100000697892 [0,2,0,0,0,0|1,0,1]=4 6669 B15R2.94 Cc1cc(cnc1Cl)C2=CCCCC2 271570a_100000062251_100009922867 [0,2,0,0,0,0|1,0,1]=4 6670 B15R2.94 Cc1cc(cnc1F)C2=CCCCC2 271570a_100000062251_100000709442 [0,2,0,0,0,0|1,0,1]=4 6671 B15R2.94 Cc1cc(cnc1N)C2=CCCCC2 271570a_100000062251_100000186686 [0,2,0,0,0,0|1,0,1]=4 6672 B15R2.94 Cc1cc(cnc1O)C2=CCCCC2 271570a_100000062251_100000685391 [0,2,0,0,0,0|1,0,1]=4 6673 B15R2.94 Cc1ncc(cc1F)C2=CCCCC2 271570a_100000062251_100009845756 [0,2,0,0,0,0|1,0,1]=4 6674 B15R2.94 Cc1ncc(cc1N)C2=CCCCC2 271570a_100000062251_100011999542 [0,2,0,0,0,0|1,0,1]=4 6675 B15R2.94 Cc1ncc(cc1O)C2=CCCCC2 271570a_100000062251_100009864810 [0,2,0,0,0,0|1,0,1]=4 6676 B15R2.94 Clc1ncc(cc1Br)C2=CCCCC2 271570a_100000062251_100010172733 [0,2,0,0,0,0|1,0,1]=4 6677 B15R2.94 Fc1cc(cnc1F)C2=CCCCC2 271570a_100000062251_100009817721 [0,2,0,0,0,0|1,0,1]=4 6678 B15R2.94 Nc1cc(cnc1Cl)C2=CCCCC2 271570a_100000062251_100009828400 [0,2,0,0,0,0|1,0,1]=4 6679 B15R2.94 Nc1cc(cnc1F)C2=CCCCC2 271570a_100000062251_100009816798 [0,2,0,0,0,0|1,0,1]=4 6680 B15R2.94 Nc1cc(cnc1N)C2=CCCCC2 271570a_100000062251_100000184470 [0,2,0,0,0,0|1,0,1]=4 6681 B15R2.94 Nc1cc(cnc1O)C2=CCCCC2 271570a_100000062251_100000743729 [0,2,0,0,0,0|1,0,1]=4 6682 B15R2.94 Nc1ncc(cc1Br)C2=CCCCC2 271570a_100000062251_100012353989 [0,2,0,0,0,0|1,0,1]=4 6683 B15R2.94 Nc1ncc(cc1Cl)C2=CCCCC2 271570a_100000062251_100012356299 [0,2,0,0,0,0|1,0,1]=4 6684 B15R2.94 Nc1ncc(cc1F)C2=CCCCC2 271570a_100000062251_100000693161 [0,2,0,0,0,0|1,0,1]=4 6685 B15R2.94 Nc1ncc(cc1O)C2=CCCCC2 271570a_100000062251_100009819042 [0,2,0,0,0,0|1,0,1]=4 6686 B15R2.94 Oc1cc(cnc1F)C2=CCCCC2 271570a_100000062251_100009819871 [0,2,0,0,0,0|1,0,1]=4 6687 B15R2.94 Oc1ncc(cc1Cl)C2=CCCCC2 271570a_100000062251_100010238531 [0,2,0,0,0,0|1,0,1]=4 6688 B15R2.332 CN1CCCCC1c2cccc(c2)Cl 2230a_100000719853_200000210301 [0,2,0,0,0,0|1,0,0]=3 6689 B15R2.332 CN1CCCCC1c2cccc(c2)Cl 269982a_100000719853_200000210301 [0,2,0,0,0,0|1,0,0]=3 6690 B15R2.332 CN1CCCCC1c2cccc(c2)Cl 34a_100000719853_200000210301 [0,2,0,0,0,0|1,0,0]=3 6691 B15R2.332 CN1CCCCC1c2cccc(c2)F 2230a_100011223928_200000210301 [0,2,0,0,0,0|1,0,0]=3 6692 B15R2.332 CN1CCCCC1c2cccc(c2)F 269982a_100011223928_200000210301 [0,2,0,0,0,0|1,0,0]=3 6693 B15R2.332 CN1CCCCC1c2cccc(c2)F 34a_100011223928_200000210301 [0,2,0,0,0,0|1,0,0]=3 6694 B15R2.332 [13CH3]N1CCCCC1c2cccc(c2)Cl 2230a_100000719853_200025704644 [0,2,0,0,0,0|1,0,0]=3 6695 B15R2.332 [13CH3]N1CCCCC1c2cccc(c2)Cl 269982a_100000719853_200025704644 [0,2,0,0,0,0|1,0,0]=3 6696 B15R2.332 [13CH3]N1CCCCC1c2cccc(c2)Cl 34a_100000719853_200025704644 [0,2,0,0,0,0|1,0,0]=3 6697 B15R2.332 [13CH3]N1CCCCC1c2cccc(c2)F 2230a_100011223928_200025704644 [0,2,0,0,0,0|1,0,0]=3 6698 B15R2.332 [13CH3]N1CCCCC1c2cccc(c2)F 269982a_100011223928_200025704644 [0,2,0,0,0,0|1,0,0]=3 6699 B15R2.332 [13CH3]N1CCCCC1c2cccc(c2)F 34a_100011223928_200025704644 [0,2,0,0,0,0|1,0,0]=3 6700 B15R2.21 C=Cc1ccccc1C2CCCCC2 271570a_100011290941_200009813743 [0,2,0,0,0,0|2,0,0]=4 6701 B15R2.21 C=Cc1ccccc1C2CCCCN2 271570a_100011290941_100010004825 [0,2,0,0,0,0|1,0,0]=3 6702 B15R2.21 C=Cc1ccccc1C2CNCCN2 271570a_100011290941_200010178367 [0,2,0,0,0,0|2,0,0]=4 6703 B15R2.21 CCN1CC=CCC1c2cccnc2 2230a_100000065465_100000210202 [0,2,0,0,0,0|0,0,2]=4 6704 B15R2.21 CCN1CC=CCC1c2cccnc2 269982a_100000065465_100000204670 [0,2,0,0,0,0|0,0,2]=4 6705 B15R2.21 CCN1CCCCC1c2ccccc2 2230a_100000707174_100000210202 [0,2,0,0,0,0|1,0,0]=3 6706 B15R2.21 CCN1CCCCC1c2ccccc2 269982a_100000707174_100000204670 [0,2,0,0,0,0|1,0,0]=3 6707 B15R2.21 CCN1CCCCC1c2ccccc2 34a_100000707174_100000210202 [0,2,0,0,0,0|1,0,0]=3 6708 B15R2.21 CCN1CCCCC1c2ccccn2 2230a_100015185292_100000210202 [0,2,0,0,0,0|2,0,0]=4 6709 B15R2.21 CCN1CCCCC1c2ccccn2 269982a_100015185292_100000204670 [0,2,0,0,0,0|2,0,0]=4 6710 B15R2.21 CCN1CCCCC1c2cccnc2 2230a_100000723942_100000210202 [0,2,0,0,0,0|0,0,0]=2 6711 B15R2.21 CCN1CCCCC1c2cccnc2 269982a_100000723942_100000204670 [0,2,0,0,0,0|0,0,0]=2 6712 B15R2.21 CCN1CCOCC1c2ccccc2 2230a_100000765270_100000210202 [0,2,0,0,0,0|2,0,0]=4 6713 B15R2.21 CCN1CCOCC1c2ccccc2 269982a_100000765270_100000204670 [0,2,0,0,0,0|2,0,0]=4 6714 B15R2.21 CCN1CCOCC1c2ccccc2 34a_100000765270_100000210202 [0,2,0,0,0,0|2,0,0]=4 6715 B15R2.21 CCN1CCSCC1c2ccccc2 2230a_102495339932_100000210202 [0,2,0,0,0,0|2,0,0]=4 6716 B15R2.21 CCN1CCSCC1c2ccccc2 269982a_102495339932_100000204670 [0,2,0,0,0,0|2,0,0]=4 6717 B15R2.21 CCN1CCSCC1c2ccccc2 7a_102495339932_100000210202 [0,2,0,0,0,0|2,0,0]=4 6718 B15R2.21 CCc1ccncc1C2=CCCCC2 271570a_100000062251_100009819861 [0,2,0,0,0,0|1,0,1]=4 6719 B15R2.21 CCc1ncccc1C2=CCCCC2 271570a_100000062251_100009877225 [0,2,0,0,0,0|1,0,1]=4 6720 B15R2.21 CNC1CCCCC1c2ccccc2 270004a_106832991635_100000212245 [0,2,0,0,0,0|2,0,0]=4 6721 B15R2.21 CNc1ccncc1C2=CCCCC2 271570a_100000062251_100010069531 [0,2,0,0,0,0|1,0,1]=4 6722 B15R2.21 CNc1ncccc1C2=CCCCC2 271570a_100000062251_100000700899 [0,2,0,0,0,0|1,0,1]=4 6723 B15R2.21 CO[C@@H]1CCCC[C@H]1c2ccccc2 34a_100009815809_200000210301 [0,2,0,0,0,0|2,0,0]=4 6724 B15R2.21 CO[C@@H]1CCCC[C@H]1c2ccccc2 7a_100009815809_200000210301 [0,2,0,0,0,0|2,0,0]=4 6725 B15R2.21 COc1ccccc1C2CCCCC2 34a_100000035073_200000210301 [0,2,0,0,0,0|2,0,0]=4 6726 B15R2.21 COc1ccccc1C2CCCCC2 7a_100000035073_200000210301 [0,2,0,0,0,0|2,0,0]=4 6727 B15R2.21 COc1ccncc1C2=CCCCC2 271570a_100000062251_100011997281 [0,2,0,0,0,0|1,0,1]=4 6728 B15R2.21 COc1ncccc1C2=CCCCC2 271570a_100000062251_100000047025 [0,2,0,0,0,0|1,0,1]=4 6729 B15R2.21 CSc1ccccc1C2CCCCC2 62a_200000210301_200009813743 [0,2,0,0,0,0|2,0,0]=4 6730 B15R2.21 CSc1ccccc1C2CCCCC2 62a_200009813743_200000210301 [0,2,0,0,0,0|2,0,0]=4 6731 B15R2.21 CSc1ccccc1C2CCCCN2 62a_100010004825_200000210301 [0,2,0,0,0,0|1,0,0]=3 6732 B15R2.21 CSc1ccccc1C2CCCCN2 62a_200000210301_100010004825 [0,2,0,0,0,0|1,0,0]=3 6733 B15R2.21 CSc1ccccc1C2CNCCN2 62a_200000210301_200010178367 [0,2,0,0,0,0|2,0,0]=4 6734 B15R2.21 CSc1ncccc1C2=CCCCC2 271570a_100000062251_100011465278 [0,2,0,0,0,0|1,0,1]=4 6735 B15R2.21 FCN1CC=CCC1c2cccnc2 269982a_100000065465_100015361967 [0,2,0,0,0,0|0,0,2]=4 6736 B15R2.21 FCN1CCCCC1c2ccccc2 269982a_100000707174_100015361967 [0,2,0,0,0,0|1,0,0]=3 6737 B15R2.21 FCN1CCCCC1c2ccccc2 34a_100000707174_100015361967 [0,2,0,0,0,0|1,0,0]=3 6738 B15R2.21 FCN1CCCCC1c2ccccn2 269982a_100015185292_100015361967 [0,2,0,0,0,0|2,0,0]=4 6739 B15R2.21 FCN1CCCCC1c2cccnc2 269982a_100000723942_100015361967 [0,2,0,0,0,0|0,0,0]=2 6740 B15R2.21 FCN1CCOCC1c2ccccc2 269982a_100000765270_100015361967 [0,2,0,0,0,0|2,0,0]=4 6741 B15R2.21 FCN1CCOCC1c2ccccc2 34a_100000765270_100015361967 [0,2,0,0,0,0|2,0,0]=4 6742 B15R2.21 FCN1CCSCC1c2ccccc2 269982a_102495339932_100015361967 [0,2,0,0,0,0|2,0,0]=4 6743 B15R2.21 FCN1CCSCC1c2ccccc2 7a_102495339932_100015361967 [0,2,0,0,0,0|2,0,0]=4 6744 B15R2.21 N#Cc1ccncc1C2=CCCCC2 271570a_100000062251_100000684818 [0,2,0,0,0,0|1,0,1]=4 6745 B15R2.21 N#Cc1ncccc1C2=CCCCC2 271570a_100000062251_100000685805 [0,2,0,0,0,0|1,0,1]=4 6746 B15R2.21 NCc1ccncc1C2=CCCCC2 271570a_100000062251_100020640021 [0,2,0,0,0,0|1,0,1]=4 6747 B15R2.21 NCc1ncccc1C2=CCCCC2 271570a_100000062251_100020591323 [0,2,0,0,0,0|1,0,1]=4 6748 B15R2.21 NNc1ccncc1C2=CCCCC2 271570a_100000062251_100013404636 [0,2,0,0,0,0|1,0,1]=4 6749 B15R2.21 NNc1ncccc1C2=CCCCC2 271570a_100000062251_100011464834 [0,2,0,0,0,0|1,0,1]=4 6750 B15R2.21 O=Cc1ccncc1C2=CCCCC2 271570a_100000062251_100011934409 [0,2,0,0,0,0|1,0,1]=4 6751 B15R2.21 O=Cc1ncccc1C2=CCCCC2 271570a_100000062251_100011934733 [0,2,0,0,0,0|1,0,1]=4 6752 B15R2.21 OCc1ccncc1C2=CCCCC2 271570a_100000062251_100009873359 [0,2,0,0,0,0|1,0,1]=4 6753 B15R2.21 OCc1ncccc1C2=CCCCC2 271570a_100000062251_100011996772 [0,2,0,0,0,0|1,0,1]=4 6754 B15R2.21 [13CH3]O[C@@H]1CCCC[C@H]1c2ccccc2 34a_100009815809_200025704644 [0,2,0,0,0,0|2,0,0]=4 6755 B15R2.21 [13CH3]O[C@@H]1CCCC[C@H]1c2ccccc2 7a_100009815809_200025704644 [0,2,0,0,0,0|2,0,0]=4 6756 B15R2.21 [13CH3]Oc1ccccc1C2CCCCC2 34a_100000035073_200025704644 [0,2,0,0,0,0|2,0,0]=4 6757 B15R2.21 [13CH3]Oc1ccccc1C2CCCCC2 7a_100000035073_200025704644 [0,2,0,0,0,0|2,0,0]=4 6758 B15R2.21 [13CH3]Sc1ccccc1C2CCCCC2 62a_200009813743_200025704644 [0,2,0,0,0,0|2,0,0]=4 6759 B15R2.21 [13CH3]Sc1ccccc1C2CCCCC2 62a_200025704644_200009813743 [0,2,0,0,0,0|2,0,0]=4 6760 B15R2.21 [13CH3]Sc1ccccc1C2CCCCN2 62a_100010004825_200025704644 [0,2,0,0,0,0|1,0,0]=3 6761 B15R2.21 [13CH3]Sc1ccccc1C2CCCCN2 62a_200025704644_100010004825 [0,2,0,0,0,0|1,0,0]=3 6762 B15R2.21 [13CH3]Sc1ccccc1C2CNCCN2 62a_200025704644_200010178367 [0,2,0,0,0,0|2,0,0]=4 6763 B15R2.308 CC1CC=C(CC1)c2cccnc2Br 271570a_100010240233_100010202626 [0,2,0,0,0,0|1,0,1]=4 6764 B15R2.308 CC1CC=C(CC1)c2cccnc2Cl 271570a_100010240233_100000036424 [0,2,0,0,0,0|1,0,1]=4 6765 B15R2.308 CC1CC=C(CC1)c2cccnc2F 271570a_100010240233_100009816115 [0,2,0,0,0,0|1,0,1]=4 6766 B15R2.308 CC1CC=C(CC1)c2cccnc2N 271570a_100010240233_100000045569 [0,2,0,0,0,0|1,0,1]=4 6767 B15R2.308 CC1CC=C(CC1)c2cnccc2Br 271570a_100010240233_100010138639 [0,2,0,0,0,0|1,0,1]=4 6768 B15R2.308 CC1CC=C(CC1)c2cnccc2Cl 271570a_100010240233_100009995489 [0,2,0,0,0,0|1,0,1]=4 6769 B15R2.308 CC1CC=C(CC1)c2cnccc2F 271570a_100010240233_100009820683 [0,2,0,0,0,0|1,0,1]=4 6770 B15R2.308 CC1CC=C(CC1)c2cnccc2N 271570a_100010240233_100000047001 [0,2,0,0,0,0|1,0,1]=4 6771 B15R2.308 CN1CCCCC1c2ccc(cc2)Br 2230a_100010004824_200000210301 [0,2,0,0,0,0|1,0,0]=3 6772 B15R2.308 CN1CCCCC1c2ccc(cc2)Br 269982a_100010004824_200000210301 [0,2,0,0,0,0|1,0,0]=3 6773 B15R2.308 CN1CCCCC1c2ccc(cc2)Br 34a_100010004824_200000210301 [0,2,0,0,0,0|1,0,0]=3 6774 B15R2.308 CN1CCCCC1c2ccc(cc2)F 2230a_100000765486_200000210301 [0,2,0,0,0,0|1,0,0]=3 6775 B15R2.308 CN1CCCCC1c2ccc(cc2)F 269982a_100000765486_200000210301 [0,2,0,0,0,0|1,0,0]=3 6776 B15R2.308 CN1CCCCC1c2ccc(cc2)F 34a_100000765486_200000210301 [0,2,0,0,0,0|1,0,0]=3 6777 B15R2.308 CN1CCCC[C@H]1c2ccc(cc2)Cl 2230a_100025732418_200000210301 [0,2,0,0,0,0|1,0,0]=3 6778 B15R2.308 CN1CCCC[C@H]1c2ccc(cc2)Cl 269982a_100025732418_200000210301 [0,2,0,0,0,0|1,0,0]=3 6779 B15R2.308 CN1CCCC[C@H]1c2ccc(cc2)Cl 34a_100025732418_200000210301 [0,2,0,0,0,0|1,0,0]=3 6780 B15R2.308 CN1CCSCC1c2ccc(cc2)F 2230a_100159357692_200000210301 [0,2,0,0,0,0|2,0,0]=4 6781 B15R2.308 CN1CCSCC1c2ccc(cc2)F 269982a_100159357692_200000210301 [0,2,0,0,0,0|2,0,0]=4 6782 B15R2.308 CN1CCSCC1c2ccc(cc2)F 34a_100159357692_200000210301 [0,2,0,0,0,0|2,0,0]=4 6783 B15R2.308 CN1CCSCC1c2ccc(cc2)F 7a_100159357692_200000210301 [0,2,0,0,0,0|2,0,0]=4 6784 B15R2.308 Cc1ccncc1C2=CCC(CC2)C 271570a_100010240233_100000761580 [0,2,0,0,0,0|1,0,1]=4 6785 B15R2.308 Cc1ccncc1C2=CCC(CC2)O 271570a_100010254553_100000761580 [0,2,0,0,0,0|1,0,1]=4 6786 B15R2.308 Cc1ncccc1C2=CCC(CC2)C 271570a_100010240233_100000751574 [0,2,0,0,0,0|1,0,1]=4 6787 B15R2.308 Cc1ncccc1C2=CCC(CC2)O 271570a_100010254553_100000751574 [0,2,0,0,0,0|1,0,1]=4 6788 B15R2.308 Nc1ccncc1C2=CCC(CC2)O 271570a_100010254553_100000047001 [0,2,0,0,0,0|1,0,1]=4 6789 B15R2.308 Nc1ncccc1C2=CCC(CC2)O 271570a_100010254553_100000045569 [0,2,0,0,0,0|1,0,1]=4 6790 B15R2.308 OC1CC=C(CC1)c2cccnc2Br 271570a_100010254553_100010202626 [0,2,0,0,0,0|1,0,1]=4 6791 B15R2.308 OC1CC=C(CC1)c2cccnc2Cl 271570a_100010254553_100000036424 [0,2,0,0,0,0|1,0,1]=4 6792 B15R2.308 OC1CC=C(CC1)c2cccnc2F 271570a_100010254553_100009816115 [0,2,0,0,0,0|1,0,1]=4 6793 B15R2.308 OC1CC=C(CC1)c2cnccc2Br 271570a_100010254553_100010138639 [0,2,0,0,0,0|1,0,1]=4 6794 B15R2.308 OC1CC=C(CC1)c2cnccc2Cl 271570a_100010254553_100009995489 [0,2,0,0,0,0|1,0,1]=4 6795 B15R2.308 OC1CC=C(CC1)c2cnccc2F 271570a_100010254553_100009820683 [0,2,0,0,0,0|1,0,1]=4 6796 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)Br 2230a_100010004824_200025704644 [0,2,0,0,0,0|1,0,0]=3 6797 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)Br 269982a_100010004824_200025704644 [0,2,0,0,0,0|1,0,0]=3 6798 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)Br 34a_100010004824_200025704644 [0,2,0,0,0,0|1,0,0]=3 6799 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)F 2230a_100000765486_200025704644 [0,2,0,0,0,0|1,0,0]=3 6800 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)F 269982a_100000765486_200025704644 [0,2,0,0,0,0|1,0,0]=3 6801 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)F 34a_100000765486_200025704644 [0,2,0,0,0,0|1,0,0]=3 6802 B15R2.308 [13CH3]N1CCCC[C@H]1c2ccc(cc2)Cl 2230a_100025732418_200025704644 [0,2,0,0,0,0|1,0,0]=3 6803 B15R2.308 [13CH3]N1CCCC[C@H]1c2ccc(cc2)Cl 269982a_100025732418_200025704644 [0,2,0,0,0,0|1,0,0]=3 6804 B15R2.308 [13CH3]N1CCCC[C@H]1c2ccc(cc2)Cl 34a_100025732418_200025704644 [0,2,0,0,0,0|1,0,0]=3 6805 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 2230a_100159357692_200025704644 [0,2,0,0,0,0|2,0,0]=4 6806 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 269982a_100159357692_200025704644 [0,2,0,0,0,0|2,0,0]=4 6807 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 34a_100159357692_200025704644 [0,2,0,0,0,0|2,0,0]=4 6808 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 7a_100159357692_200025704644 [0,2,0,0,0,0|2,0,0]=4 6809 B15R2.389 Cc1cc(c(cn1)C2=CCCCC2)C 271570a_100000062251_100009819613 [0,2,0,0,0,0|1,0,1]=4 6810 B15R2.389 Cc1cc(c(cn1)C2=CCCCC2)N 271570a_100000062251_100009817891 [0,2,0,0,0,0|1,0,1]=4 6811 B15R2.389 Cc1cc(c(cn1)C2=CCCCC2)O 271570a_100000062251_100011016184 [0,2,0,0,0,0|1,0,1]=4 6812 B15R2.389 Cc1cc(ncc1C2=CCCCC2)Br 271570a_100000062251_100009816104 [0,2,0,0,0,0|1,0,1]=4 6813 B15R2.389 Cc1cc(ncc1C2=CCCCC2)Cl 271570a_100000062251_100010172789 [0,2,0,0,0,0|1,0,1]=4 6814 B15R2.389 Cc1cc(ncc1C2=CCCCC2)F 271570a_100000062251_100009820716 [0,2,0,0,0,0|1,0,1]=4 6815 B15R2.389 Cc1cc(ncc1C2=CCCCC2)N 271570a_100000062251_100000050067 [0,2,0,0,0,0|1,0,1]=4 6816 B15R2.389 Cc1cc(ncc1C2=CCCCC2)O 271570a_100000062251_100010114363 [0,2,0,0,0,0|1,0,1]=4 6817 B15R2.389 Cc1ccc(c(n1)C)C2=CCCCC2 271570a_100000062251_100009813853 [0,2,0,0,0,0|1,0,1]=4 6818 B15R2.389 Cc1ccc(c(n1)F)C2=CCCCC2 271570a_100000062251_100010006597 [0,2,0,0,0,0|1,0,1]=4 6819 B15R2.389 Cc1ccc(c(n1)N)C2=CCCCC2 271570a_100000062251_100009816662 [0,2,0,0,0,0|1,0,1]=4 6820 B15R2.389 Cc1ccc(c(n1)O)C2=CCCCC2 271570a_100000062251_100009817604 [0,2,0,0,0,0|1,0,1]=4 6821 B15R2.389 Cc1nc(ccc1C2=CCCCC2)Cl 271570a_100000062251_100000062408 [0,2,0,0,0,0|1,0,1]=4 6822 B15R2.389 Cc1nc(ccc1C2=CCCCC2)F 271570a_100000062251_100000688911 [0,2,0,0,0,0|1,0,1]=4 6823 B15R2.389 Cc1nc(ccc1C2=CCCCC2)N 271570a_100000062251_100000013003 [0,2,0,0,0,0|1,0,1]=4 6824 B15R2.389 Cc1nc(ccc1C2=CCCCC2)O 271570a_100000062251_100000691680 [0,2,0,0,0,0|1,0,1]=4 6825 B15R2.389 Clc1cc(c(cn1)C2=CCCCC2)Cl 271570a_100000062251_100010200927 [0,2,0,0,0,0|1,0,1]=4 6826 B15R2.389 Clc1cc(ncc1C2=CCCCC2)Br 271570a_100000062251_100010381092 [0,2,0,0,0,0|1,0,1]=4 6827 B15R2.389 Clc1nc(ccc1C2=CCCCC2)Br 271570a_100000062251_100010246183 [0,2,0,0,0,0|1,0,1]=4 6828 B15R2.389 Fc1cc(c(cn1)C2=CCCCC2)Br 271570a_100000062251_100015451857 [0,2,0,0,0,0|1,0,1]=4 6829 B15R2.389 Fc1cc(ncc1C2=CCCCC2)Cl 271570a_100000062251_100010128100 [0,2,0,0,0,0|1,0,1]=4 6830 B15R2.389 Fc1ccc(c(n1)F)C2=CCCCC2 271570a_100000062251_100000070099 [0,2,0,0,0,0|1,0,1]=4 6831 B15R2.389 Fc1nc(ccc1C2=CCCCC2)Cl 271570a_100000062251_100010168078 [0,2,0,0,0,0|1,0,1]=4 6832 B15R2.389 Nc1cc(c(cn1)C2=CCCCC2)Br 271570a_100000062251_100010074611 [0,2,0,0,0,0|1,0,1]=4 6833 B15R2.389 Nc1cc(c(cn1)C2=CCCCC2)Cl 271570a_100000062251_100000694920 [0,2,0,0,0,0|1,0,1]=4 6834 B15R2.389 Nc1cc(c(cn1)C2=CCCCC2)F 271570a_100000062251_100009844730 [0,2,0,0,0,0|1,0,1]=4 6835 B15R2.389 Nc1cc(c(cn1)C2=CCCCC2)N 271570a_100000062251_200009857908 [0,2,0,0,0,0|1,0,1]=4 6836 B15R2.389 Nc1ccc(c(n1)Br)C2=CCCCC2 271570a_100000062251_100010734177 [0,2,0,0,0,0|1,0,1]=4 6837 B15R2.389 Nc1ccc(c(n1)Cl)C2=CCCCC2 271570a_100000062251_100010270343 [0,2,0,0,0,0|1,0,1]=4 6838 B15R2.389 Nc1ccc(c(n1)F)C2=CCCCC2 271570a_100000062251_100009882772 [0,2,0,0,0,0|1,0,1]=4 6839 B15R2.389 Nc1ccc(c(n1)N)C2=CCCCC2 271570a_100000062251_100011356871 [0,2,0,0,0,0|1,0,1]=4 6840 B15R2.389 Nc1nc(ccc1C2=CCCCC2)Cl 271570a_100000062251_100010171640 [0,2,0,0,0,0|1,0,1]=4 6841 B15R2.389 Nc1nc(ccc1C2=CCCCC2)F 271570a_100000062251_100009854977 [0,2,0,0,0,0|1,0,1]=4 6842 B15R2.389 Oc1ccc(c(n1)F)C2=CCCCC2 271570a_100000062251_100009879308 [0,2,0,0,0,0|1,0,1]=4 6843 B15R2.541 Cc1ccnc(c1C2=CCCCC2)C 271570a_100000062251_100012000501 [0,2,0,0,0,0|1,0,1]=4 6844 B15R2.541 Cc1ccnc(c1C2=CCCCC2)F 271570a_100000062251_100009818256 [0,2,0,0,0,0|1,0,1]=4 6845 B15R2.541 Cc1ccnc(c1C2=CCCCC2)N 271570a_100000062251_100011998619 [0,2,0,0,0,0|1,0,1]=4 6846 B15R2.541 Cc1ccnc(c1C2=CCCCC2)O 271570a_100000062251_100012000493 [0,2,0,0,0,0|1,0,1]=4 6847 B15R2.541 Cc1nccc(c1C2=CCCCC2)N 271570a_100000062251_100010243816 [0,2,0,0,0,0|1,0,1]=4 6848 B15R2.541 Fc1ccnc(c1C2=CCCCC2)F 271570a_100000062251_100009874084 [0,2,0,0,0,0|1,0,1]=4 6849 B15R2.541 Nc1ccnc(c1C2=CCCCC2)F 271570a_100000062251_100010381272 [0,2,0,0,0,0|1,0,1]=4 6850 B15R2.541 Nc1nccc(c1C2=CCCCC2)Cl 271570a_100000062251_100010199028 [0,2,0,0,0,0|1,0,1]=4 6851 B15R2.541 Oc1ccnc(c1C2=CCCCC2)O 271570a_100000062251_200009817435 [0,2,0,0,0,0|1,0,1]=4 6852 B15R2.555 CN1CCCCC1c2ccccc2Br 2230a_100010004825_200000210301 [0,2,0,0,0,0|1,0,0]=3 6853 B15R2.555 CN1CCCCC1c2ccccc2Br 269982a_100010004825_200000210301 [0,2,0,0,0,0|1,0,0]=3 6854 B15R2.555 CN1CCCCC1c2ccccc2Br 34a_100010004825_200000210301 [0,2,0,0,0,0|1,0,0]=3 6855 B15R2.555 CN1CCCCC1c2ccccc2Cl 2230a_100011804123_200000210301 [0,2,0,0,0,0|1,0,0]=3 6856 B15R2.555 CN1CCCCC1c2ccccc2Cl 269982a_100011804123_200000210301 [0,2,0,0,0,0|1,0,0]=3 6857 B15R2.555 CN1CCCCC1c2ccccc2Cl 34a_100011804123_200000210301 [0,2,0,0,0,0|1,0,0]=3 6858 B15R2.555 CN1CCCCC1c2ccccc2F 2230a_100011223933_200000210301 [0,2,0,0,0,0|1,0,0]=3 6859 B15R2.555 CN1CCCCC1c2ccccc2F 269982a_100011223933_200000210301 [0,2,0,0,0,0|1,0,0]=3 6860 B15R2.555 CN1CCCCC1c2ccccc2F 34a_100011223933_200000210301 [0,2,0,0,0,0|1,0,0]=3 6861 B15R2.555 CN1CCOC[C@@H]1c2ccccc2F 2230a_100015435087_200000210301 [0,2,0,0,0,0|2,0,0]=4 6862 B15R2.555 CN1CCOC[C@@H]1c2ccccc2F 269982a_100015435087_200000210301 [0,2,0,0,0,0|2,0,0]=4 6863 B15R2.555 CN1CCOC[C@@H]1c2ccccc2F 34a_100015435087_200000210301 [0,2,0,0,0,0|2,0,0]=4 6864 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Br 2230a_100010004825_200025704644 [0,2,0,0,0,0|1,0,0]=3 6865 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Br 269982a_100010004825_200025704644 [0,2,0,0,0,0|1,0,0]=3 6866 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Br 34a_100010004825_200025704644 [0,2,0,0,0,0|1,0,0]=3 6867 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Cl 2230a_100011804123_200025704644 [0,2,0,0,0,0|1,0,0]=3 6868 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Cl 269982a_100011804123_200025704644 [0,2,0,0,0,0|1,0,0]=3 6869 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Cl 34a_100011804123_200025704644 [0,2,0,0,0,0|1,0,0]=3 6870 B15R2.555 [13CH3]N1CCCCC1c2ccccc2F 2230a_100011223933_200025704644 [0,2,0,0,0,0|1,0,0]=3 6871 B15R2.555 [13CH3]N1CCCCC1c2ccccc2F 269982a_100011223933_200025704644 [0,2,0,0,0,0|1,0,0]=3 6872 B15R2.555 [13CH3]N1CCCCC1c2ccccc2F 34a_100011223933_200025704644 [0,2,0,0,0,0|1,0,0]=3 6873 B15R2.555 [13CH3]N1CCOC[C@@H]1c2ccccc2F 2230a_100015435087_200025704644 [0,2,0,0,0,0|2,0,0]=4 6874 B15R2.555 [13CH3]N1CCOC[C@@H]1c2ccccc2F 269982a_100015435087_200025704644 [0,2,0,0,0,0|2,0,0]=4 6875 B15R2.555 [13CH3]N1CCOC[C@@H]1c2ccccc2F 34a_100015435087_200025704644 [0,2,0,0,0,0|2,0,0]=4 6876 B15R2.1 C=Cc1ccc(cc1)C2CCCCC2 271570a_100011290941_100011217854 [0,2,0,0,0,0|2,0,0]=4 6877 B15R2.1 C=Cc1ccc(cc1)C2CCCCN2 271570a_100011290941_100010004824 [0,2,0,0,0,0|1,0,0]=3 6878 B15R2.1 C=Cc1ccc(cc1)C2CNCCN2 271570a_100011290941_100010163160 [0,2,0,0,0,0|2,0,0]=4 6879 B15R2.1 C=Cc1ccc(cn1)N2CCCCC2 271570a_100011290941_100010246967 [0,2,0,0,0,0|2,0,0]=4 6880 B15R2.1 CCC1CC=C(CC1)c2cccnc2 271570a_200010144120_100000752921 [0,2,0,0,0,0|1,0,1]=4 6881 B15R2.1 CCc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100009820025 [0,2,0,0,0,0|1,0,1]=4 6882 B15R2.1 CNC1CCC(CC1)c2ccccc2 270004a_106832991635_100000184041 [0,2,0,0,0,0|2,0,0]=4 6883 B15R2.1 CNC1CCC(CC1)c2ccccc2 34a_100000737527_200000210301 [0,2,0,0,0,0|2,0,0]=4 6884 B15R2.1 CNc1ccc(cc1)C2CCCCC2 2230a_100011205399_200000210301 [0,2,0,0,0,0|2,0,0]=4 6885 B15R2.1 CNc1ccc(cc1)C2CCCCC2 34a_100011205399_200000210301 [0,2,0,0,0,0|2,0,0]=4 6886 B15R2.1 CNc1ccc(cc1)C2CCCCC2 7a_100011205399_200000210301 [0,2,0,0,0,0|2,0,0]=4 6887 B15R2.1 CNc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000741341 [0,2,0,0,0,0|1,0,1]=4 6888 B15R2.1 COC1CC=C(CC1)c2cccnc2 271570a_100010144119_100000752921 [0,2,0,0,0,0|1,0,1]=4 6889 B15R2.1 CO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_200000210301 [0,2,0,0,0,0|2,0,0]=4 6890 B15R2.1 CO[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_200000210301 [0,2,0,0,0,0|2,0,0]=4 6891 B15R2.1 COc1ccc(cc1)C2CCCCC2 34a_100000211867_200000210301 [0,2,0,0,0,0|2,0,0]=4 6892 B15R2.1 COc1ccc(cc1)C2CCCCC2 7a_100000211867_200000210301 [0,2,0,0,0,0|2,0,0]=4 6893 B15R2.1 COc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000047065 [0,2,0,0,0,0|1,0,1]=4 6894 B15R2.1 CSc1ccc(cc1)C2CCCCC2 62a_100011217854_200000210301 [0,2,0,0,0,0|2,0,0]=4 6895 B15R2.1 CSc1ccc(cc1)C2CCCCC2 62a_200000210301_100011217854 [0,2,0,0,0,0|2,0,0]=4 6896 B15R2.1 CSc1ccc(cc1)C2CCCCN2 62a_200000210301_100010004824 [0,2,0,0,0,0|1,0,0]=3 6897 B15R2.1 CSc1ccc(cc1)C2CNCCN2 62a_200000210301_100010163160 [0,2,0,0,0,0|2,0,0]=4 6898 B15R2.1 CSc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100011408404 [0,2,0,0,0,0|1,0,1]=4 6899 B15R2.1 CSc1ccc(cn1)N2CCCCC2 62a_100010246967_200000210301 [0,2,0,0,0,0|2,0,0]=4 6900 B15R2.1 CSc1ccc(cn1)N2CCCCC2 62a_200000210301_100010246967 [0,2,0,0,0,0|2,0,0]=4 6901 B15R2.1 N#CC1CC=C(CC1)c2cccnc2 271570a_100010254552_100000752921 [0,2,0,0,0,0|1,0,1]=4 6902 B15R2.1 N#Cc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000760455 [0,2,0,0,0,0|1,0,1]=4 6903 B15R2.1 NCc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100015188789 [0,2,0,0,0,0|1,0,1]=4 6904 B15R2.1 NNc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000750576 [0,2,0,0,0,0|1,0,1]=4 6905 B15R2.1 O=Cc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000754260 [0,2,0,0,0,0|1,0,1]=4 6906 B15R2.1 OCc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000754261 [0,2,0,0,0,0|1,0,1]=4 6907 B15R2.1 [13CH3]NC1CCC(CC1)c2ccccc2 34a_100000737527_200025704644 [0,2,0,0,0,0|2,0,0]=4 6908 B15R2.1 [13CH3]Nc1ccc(cc1)C2CCCCC2 2230a_100011205399_200025704644 [0,2,0,0,0,0|2,0,0]=4 6909 B15R2.1 [13CH3]Nc1ccc(cc1)C2CCCCC2 34a_100011205399_200025704644 [0,2,0,0,0,0|2,0,0]=4 6910 B15R2.1 [13CH3]Nc1ccc(cc1)C2CCCCC2 7a_100011205399_200025704644 [0,2,0,0,0,0|2,0,0]=4 6911 B15R2.1 [13CH3]O[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_200025704644 [0,2,0,0,0,0|2,0,0]=4 6912 B15R2.1 [13CH3]O[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_200025704644 [0,2,0,0,0,0|2,0,0]=4 6913 B15R2.1 [13CH3]Oc1ccc(cc1)C2CCCCC2 34a_100000211867_200025704644 [0,2,0,0,0,0|2,0,0]=4 6914 B15R2.1 [13CH3]Oc1ccc(cc1)C2CCCCC2 7a_100000211867_200025704644 [0,2,0,0,0,0|2,0,0]=4 6915 B15R2.1 [13CH3]Sc1ccc(cc1)C2CCCCC2 62a_100011217854_200025704644 [0,2,0,0,0,0|2,0,0]=4 6916 B15R2.1 [13CH3]Sc1ccc(cc1)C2CCCCC2 62a_200025704644_100011217854 [0,2,0,0,0,0|2,0,0]=4 6917 B15R2.1 [13CH3]Sc1ccc(cc1)C2CCCCN2 62a_200025704644_100010004824 [0,2,0,0,0,0|1,0,0]=3 6918 B15R2.1 [13CH3]Sc1ccc(cc1)C2CNCCN2 62a_200025704644_100010163160 [0,2,0,0,0,0|2,0,0]=4 6919 B15R2.1 [13CH3]Sc1ccc(cn1)N2CCCCC2 62a_100010246967_200025704644 [0,2,0,0,0,0|2,0,0]=4 6920 B15R2.1 [13CH3]Sc1ccc(cn1)N2CCCCC2 62a_200025704644_100010246967 [0,2,0,0,0,0|2,0,0]=4 6921 B15R2.3 CC1CC=C(CC1)c2ccc(nc2)Br 271570a_100010240233_100009814638 [0,2,0,0,0,0|1,0,1]=4 6922 B15R2.3 CC1CC=C(CC1)c2ccc(nc2)Cl 271570a_100010240233_100000034144 [0,2,0,0,0,0|1,0,1]=4 6923 B15R2.3 CC1CC=C(CC1)c2ccc(nc2)F 271570a_100010240233_100000748661 [0,2,0,0,0,0|1,0,1]=4 6924 B15R2.3 CC1CC=C(CC1)c2ccc(nc2)N 271570a_100010240233_100000187370 [0,2,0,0,0,0|1,0,1]=4 6925 B15R2.3 Cc1ccc(cn1)C2=CCC(CC2)C 271570a_100010240233_100000751577 [0,2,0,0,0,0|1,0,1]=4 6926 B15R2.3 Cc1ccc(cn1)C2=CCC(CC2)O 271570a_100010254553_100000751577 [0,2,0,0,0,0|1,0,1]=4 6927 B15R2.3 Nc1ccc(cn1)C2=CCC(CC2)O 271570a_100010254553_100000187370 [0,2,0,0,0,0|1,0,1]=4 6928 B15R2.3 OC1CC=C(CC1)c2ccc(nc2)Br 271570a_100010254553_100009814638 [0,2,0,0,0,0|1,0,1]=4 6929 B15R2.3 OC1CC=C(CC1)c2ccc(nc2)Cl 271570a_100010254553_100000034144 [0,2,0,0,0,0|1,0,1]=4 6930 B15R2.3 OC1CC=C(CC1)c2ccc(nc2)F 271570a_100010254553_100000748661 [0,2,0,0,0,0|1,0,1]=4 6931 B15R2.96 CN1CCC(CC1)(O)c2cccnc2 2230a_100011219441_200000210301 [0,2,0,0,0,0|2,0,0]=4 6932 B15R2.96 CN1CCC(CC1)(O)c2cccnc2 269982a_100011219441_200000210301 [0,2,0,0,0,0|2,0,0]=4 6933 B15R2.96 [13CH3]N1CCC(CC1)(O)c2cccnc2 2230a_100011219441_200025704644 [0,2,0,0,0,0|2,0,0]=4 6934 B15R2.96 [13CH3]N1CCC(CC1)(O)c2cccnc2 269982a_100011219441_200025704644 [0,2,0,0,0,0|2,0,0]=4 6935 B15R2.467 CC1(CC=C(CC1)c2cccnc2)C 271570a_100000069032_100000752921 [0,2,0,0,0,0|1,0,1]=4 6936 B15R2.467 FC1(CC=C(CC1)c2cccnc2)F 271570a_100010243660_100000752921 [0,2,0,0,0,0|1,0,1]=4 6937 B15R2.18914 Oc1ccc(cc1)C2(CCCCC2)O 271570a_203496583355_200010132841 [0,2,0,0,0,0|2,0,0]=4 6938 B15R2.4980 COC1(CCCCC1)c2ccccc2 34a_100011219906_200000210301 [0,2,0,0,0,0|2,0,0]=4 6939 B15R2.4980 COC1(CCCCC1)c2ccccc2 7a_100011219906_200000210301 [0,2,0,0,0,0|2,0,0]=4 6940 B15R2.4980 [13CH3]OC1(CCCCC1)c2ccccc2 34a_100011219906_200025704644 [0,2,0,0,0,0|2,0,0]=4 6941 B15R2.4980 [13CH3]OC1(CCCCC1)c2ccccc2 7a_100011219906_200025704644 [0,2,0,0,0,0|2,0,0]=4 6942 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,0,1,1,0,0|1,0,0]=3 6943 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,0,1,1,0,0|1,0,0]=3 6944 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [0,0,1,1,0,0|2,0,0]=4 6945 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,0,1,1,0,0|1,0,0]=3 6946 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,0,1,1,0,0|1,0,0]=3 6947 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,0,1,1,0,0|2,0,0]=4 6948 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,0,1,1,0,0|2,0,0]=4 6949 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,0,1,1,0,0|2,0,0]=4 6950 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [0,0,1,1,0,0|2,0,0]=4 6951 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,0,1,1,0,0|1,0,0]=3 6952 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,0,1,1,0,0|1,0,0]=3 6953 B13R2.56 FCN1CCC1c2ccccc2 269982a_100000739605_100015361967 [0,0,1,1,0,0|2,0,0]=4 6954 B13R2.453 CCNC1(CC1)c2ccccc2 2230a_100000749958_100000210202 [0,0,1,1,0,0|1,0,0]=3 6955 B13R2.453 CCNC1(CC1)c2ccccn2 2230a_100000727909_100000210202 [0,0,1,1,0,0|2,0,0]=4 6956 B13R2.453 CCNC1(CC1)c2cccnc2 2230a_100020592340_100000210202 [0,0,1,1,0,0|0,0,0]=2 6957 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,0,1,1,0,0|1,0,0]=3 6958 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,0,1,1,0,0|1,0,0]=3 6959 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,0,1,1,0,0|1,0,0]=3 6960 B13R2.679 CNC(c1ccccn1)C2CC2 2230a_100000238667_200000210301 [0,0,1,1,0,0|2,0,0]=4 6961 B13R2.679 CNC(c1ccccn1)C2CC2 269862a_106832991636_114849113519 [0,0,1,1,0,0|2,0,0]=4 6962 B13R2.679 CNC(c1ccccn1)C2CC2 34a_100000238667_200000210301 [0,0,1,1,0,0|2,0,0]=4 6963 B13R2.679 CNC(c1cccnc1)C2CC2 2230a_100000238668_200000210301 [0,0,1,1,0,0|0,0,0]=2 6964 B13R2.679 CNC(c1cccnc1)C2CC2 269862a_106832991636_100011376195 [0,0,1,1,0,0|0,0,0]=2 6965 B13R2.679 CNC(c1ccncc1)C2CC2 2230a_100012004521_200000210301 [0,0,1,1,0,0|2,0,0]=4 6966 B13R2.679 CNC(c1ccncc1)C2CC2 269862a_106832991636_200012087086 [0,0,1,1,0,0|2,0,0]=4 6967 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,0,1,1,0,0|2,0,0]=4 6968 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,0,1,1,0,0|2,0,0]=4 6969 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,0,1,1,0,0|1,0,0]=3 6970 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,0,1,1,0,0|1,0,0]=3 6971 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,0,1,1,0,0|1,0,0]=3 6972 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,0,1,1,0,0|1,0,0]=3 6973 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 2230a_100000238667_200025704644 [0,0,1,1,0,0|2,0,0]=4 6974 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 34a_100000238667_200025704644 [0,0,1,1,0,0|2,0,0]=4 6975 B13R2.679 [13CH3]NC(c1cccnc1)C2CC2 2230a_100000238668_200025704644 [0,0,1,1,0,0|0,0,0]=2 6976 B13R2.679 [13CH3]NC(c1ccncc1)C2CC2 2230a_100012004521_200025704644 [0,0,1,1,0,0|2,0,0]=4 6977 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,0,1,1,0,0|2,0,0]=4 6978 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,0,1,1,0,0|2,0,0]=4 6979 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,0,1,1,0,0|1,0,0]=3 6980 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,0,1,1,0,0|1,0,0]=3 6981 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,0,1,1,0,0|1,0,0]=3 6982 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,0,1,1,0,0|0,0,0]=2 6983 B13R2.1613 CNC1CCCc2c1ccnc2 2230a_100020634316_200000210301 [0,0,1,1,0,0|2,0,0]=4 6984 B13R2.1613 CNC1CCCc2c1ccnc2 269862a_106832991636_100000087567 [0,0,1,1,0,0|2,0,0]=4 6985 B13R2.1613 CNC1CCCc2c1cncc2 269862a_106832991636_100016991936 [0,0,1,1,0,0|0,0,0]=2 6986 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,0,1,1,0,0|2,0,0]=4 6987 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,0,1,1,0,0|2,0,0]=4 6988 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,0,1,1,0,0|2,0,0]=4 6989 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,0,1,1,0,0|2,0,0]=4 6990 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,0,1,1,0,0|2,0,0]=4 6991 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,0,1,1,0,0|1,0,0]=3 6992 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,0,1,1,0,0|2,0,0]=4 6993 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,0,1,1,0,0|2,0,0]=4 6994 B13R2.1613 [13CH3]NC1CCCc2c1ccnc2 2230a_100020634316_200025704644 [0,0,1,1,0,0|2,0,0]=4 6995 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,0,1,1,0,0|2,0,0]=4 6996 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,0,1,1,0,0|2,0,0]=4 6997 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,0,1,1,0,0|1,0,0]=3 6998 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,0,1,1,0,0|2,0,0]=4 6999 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,0,1,1,0,0|2,0,0]=4 7000 B13R2.2539 CNC1(CCC1)c2ccccc2 2230a_100000734848_200000210301 [0,0,1,1,0,0|1,0,0]=3 7001 B13R2.2539 [13CH3]NC1(CCC1)c2ccccc2 2230a_100000734848_200025704644 [0,0,1,1,0,0|1,0,0]=3 7002 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,0,1,1,0,0|1,0,0]=3 7003 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,0,1,1,0,0|2,0,0]=4 7004 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,0,1,1,0,0|2,0,0]=4 7005 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 2230a_100025746932_100000741622 [0,0,1,1,0,0|1,0,0]=3 7006 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 34a_100025746932_100000733263 [0,0,1,1,0,0|1,0,0]=3 7007 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnn2 2230a_100025746932_100016990269 [0,0,1,1,0,0|2,0,0]=4 7008 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnn2 34a_100025746932_100016990269 [0,0,1,1,0,0|2,0,0]=4 7009 B13R2.17 F[C@@H]1C[C@H]1NCc2cnccn2 2230a_100025746932_100016995436 [0,0,1,1,0,0|2,0,0]=4 7010 B13R2.17 F[C@@H]1C[C@H]1NCc2cnccn2 34a_100025746932_100016995436 [0,0,1,1,0,0|2,0,0]=4 7011 B13R2.17 F[C@@H]1C[C@H]1NCc2cncnc2 2230a_100025746932_100015196519 [0,0,1,1,0,0|2,0,0]=4 7012 B13R2.17 F[C@@H]1C[C@H]1NCc2cncnc2 34a_100025746932_100015196519 [0,0,1,1,0,0|2,0,0]=4 7013 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,0,1,1,0,0|2,0,0]=4 7014 B13R2.17 F[C@H]1C[C@H]1NCc2cccnc2 2230a_100015190264_100000741622 [0,0,1,1,0,0|1,0,0]=3 7015 B13R2.17 F[C@H]1C[C@H]1NCc2cccnn2 2230a_100015190264_100016990269 [0,0,1,1,0,0|2,0,0]=4 7016 B13R2.17 F[C@H]1C[C@H]1NCc2cnccn2 2230a_100015190264_100016995436 [0,0,1,1,0,0|2,0,0]=4 7017 B13R2.17 F[C@H]1C[C@H]1NCc2cncnc2 2230a_100015190264_100015196519 [0,0,1,1,0,0|2,0,0]=4 7018 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,1,1,0,0|1,0,0]=3 7019 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,1,1,0,0|1,0,0]=3 7020 B13R2.27 CC1CCN1Cc2ccccn2 269982a_100000755817_100000721315 [0,0,1,1,0,0|2,0,0]=4 7021 B13R2.27 CC1CCN1Cc2ccccn2 34a_100000755817_100000721315 [0,0,1,1,0,0|2,0,0]=4 7022 B13R2.27 CC1CCN1Cc2cccnc2 269982a_100000755817_100000733263 [0,0,1,1,0,0|0,0,0]=2 7023 B13R2.27 CC1CCN1Cc2cccnc2 34a_100000755817_100000733263 [0,0,1,1,0,0|0,0,0]=2 7024 B13R2.27 CC1CCN1Cc2cccnn2 34a_100000755817_100016990269 [0,0,1,1,0,0|1,0,0]=3 7025 B13R2.27 CC1CCN1Cc2ccncc2 269982a_100000755817_100015193705 [0,0,1,1,0,0|2,0,0]=4 7026 B13R2.27 CC1CCN1Cc2cnccn2 269982a_100000755817_100016995436 [0,0,1,1,0,0|1,0,0]=3 7027 B13R2.27 CC1CCN1Cc2cnccn2 34a_100000755817_100016995436 [0,0,1,1,0,0|1,0,0]=3 7028 B13R2.27 CC1CCN1Cc2cncnc2 269982a_100000755817_100016991940 [0,0,1,1,0,0|1,0,0]=3 7029 B13R2.27 CC1CCN1Cc2cncnc2 34a_100000755817_100015196519 [0,0,1,1,0,0|1,0,0]=3 7030 B13R2.64 C(=C1CCCC1)c2cccnc2 271570a_100010378317_100000752921 [0,0,1,1,0,0|1,0,1]=4 7031 B13R2.64 C1=CCN(C1)Cc2cccnc2 269982a_100015195280_100000733263 [0,0,1,1,0,0|0,0,2]=4 7032 B13R2.64 c1cc(ccn1)CN2CCCC2 2230a_100000188435_100015193705 [0,0,1,1,0,0|2,0,0]=4 7033 B13R2.64 c1cc(ccn1)CN2CCCC2 269982a_100000188435_100015193705 [0,0,1,1,0,0|2,0,0]=4 7034 B13R2.64 c1cc(cnn1)CN2CCCC2 270004a_100000188435_100011934578 [0,0,1,1,0,0|1,0,0]=3 7035 B13R2.64 c1cc(cnn1)CN2CCSC2 270004a_100011215254_100011934578 [0,0,1,1,0,0|2,0,0]=4 7036 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,0,1,1,0,0|1,0,0]=3 7037 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,0,1,1,0,0|1,0,0]=3 7038 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,0,1,1,0,0|1,0,0]=3 7039 B13R2.64 c1ccc(cc1)CN2CCSC2 2230a_100011215254_100015291786 [0,0,1,1,0,0|2,0,0]=4 7040 B13R2.64 c1ccc(cc1)CN2CCSC2 269982a_100011215254_100000211182 [0,0,1,1,0,0|2,0,0]=4 7041 B13R2.64 c1ccc(cc1)CN2CCSC2 270004a_100011215254_100015611070 [0,0,1,1,0,0|2,0,0]=4 7042 B13R2.64 c1ccc(nc1)CN2CCCC2 2230a_100000188435_100000721315 [0,0,1,1,0,0|2,0,0]=4 7043 B13R2.64 c1ccc(nc1)CN2CCCC2 269982a_100000188435_100000721315 [0,0,1,1,0,0|2,0,0]=4 7044 B13R2.64 c1ccc(nc1)CN2CCCC2 270004a_100000188435_100000209966 [0,0,1,1,0,0|2,0,0]=4 7045 B13R2.64 c1cnc(cn1)CN2CCCC2 2230a_100000188435_100016995436 [0,0,1,1,0,0|1,0,0]=3 7046 B13R2.64 c1cnc(cn1)CN2CCCC2 269982a_100000188435_100016995436 [0,0,1,1,0,0|1,0,0]=3 7047 B13R2.64 c1cnc(cn1)CN2CCCC2 270004a_100000188435_100000749867 [0,0,1,1,0,0|1,0,0]=3 7048 B13R2.64 c1cnc(cn1)CN2CCSC2 2230a_100011215254_100016995436 [0,0,1,1,0,0|2,0,0]=4 7049 B13R2.64 c1cnc(cn1)CN2CCSC2 269982a_100011215254_100016995436 [0,0,1,1,0,0|2,0,0]=4 7050 B13R2.64 c1cnc(cn1)CN2CCSC2 270004a_100011215254_100000749867 [0,0,1,1,0,0|2,0,0]=4 7051 B13R2.64 c1cncc(c1)CN2CCCC2 2230a_100000188435_100000741622 [0,0,1,1,0,0|0,0,0]=2 7052 B13R2.64 c1cncc(c1)CN2CCCC2 269982a_100000188435_100000733263 [0,0,1,1,0,0|0,0,0]=2 7053 B13R2.64 c1cncc(c1)CN2CCCC2 270004a_100000188435_100000209961 [0,0,1,1,0,0|0,0,0]=2 7054 B13R2.64 c1cncc(c1)CN2CCSC2 2230a_100011215254_100000741622 [0,0,1,1,0,0|1,0,0]=3 7055 B13R2.64 c1cncc(c1)CN2CCSC2 269982a_100011215254_100000733263 [0,0,1,1,0,0|1,0,0]=3 7056 B13R2.64 c1cncc(c1)CN2CCSC2 270004a_100011215254_100000209961 [0,0,1,1,0,0|1,0,0]=3 7057 B13R2.64 c1cncc(c1)OC2CCCC2 34a_100000210849_100000179811 [0,0,1,1,0,0|2,0,0]=4 7058 B13R2.64 c1cncc(c1)OC2CCCC2 7a_100000210849_100000179811 [0,0,1,1,0,0|2,0,0]=4 7059 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100000210063_100000179811 [0,0,1,1,0,0|2,0,0]=4 7060 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100011217020_100000210063 [0,0,1,1,0,0|2,0,0]=4 7061 B13R2.64 c1cnnc(c1)CN2CCCC2 2230a_100000188435_100016990269 [0,0,1,1,0,0|1,0,0]=3 7062 B13R2.64 c1cnnc(c1)CN2CCSC2 2230a_100011215254_100016990269 [0,0,1,1,0,0|2,0,0]=4 7063 B13R2.64 c1ncc(cn1)CN2CCCC2 2230a_100000188435_100015196519 [0,0,1,1,0,0|1,0,0]=3 7064 B13R2.64 c1ncc(cn1)CN2CCCC2 269982a_100000188435_100016991940 [0,0,1,1,0,0|1,0,0]=3 7065 B13R2.64 c1ncc(cn1)CN2CCCC2 270004a_100000188435_100000749868 [0,0,1,1,0,0|1,0,0]=3 7066 B13R2.64 c1ncc(cn1)CN2CCSC2 2230a_100011215254_100015196519 [0,0,1,1,0,0|2,0,0]=4 7067 B13R2.64 c1ncc(cn1)CN2CCSC2 269982a_100011215254_100016991940 [0,0,1,1,0,0|2,0,0]=4 7068 B13R2.64 c1ncc(cn1)CN2CCSC2 270004a_100011215254_100000749868 [0,0,1,1,0,0|2,0,0]=4 7069 B13R2.2382 c1cc(ccn1)CNCC2CC2 207a_100000735609_100000186114 [0,0,1,1,0,0|2,0,0]=4 7070 B13R2.2382 c1cc(ccn1)CNCC2CC2 2230a_100000735609_100015193705 [0,0,1,1,0,0|2,0,0]=4 7071 B13R2.2382 c1cc(ccn1)CNCC2CC2 269862a_100000210450_100000741477 [0,0,1,1,0,0|2,0,0]=4 7072 B13R2.2382 c1cc(cnn1)CNCC2CC2 270004a_100000735609_100011934578 [0,0,1,1,0,0|1,0,0]=3 7073 B13R2.2382 c1ccc(cc1)CNCC2CC2 207a_100000735609_100015611070 [0,0,1,1,0,0|1,0,0]=3 7074 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100000735609_100015291786 [0,0,1,1,0,0|1,0,0]=3 7075 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100015324214_100000742324 [0,0,1,1,0,0|1,0,0]=3 7076 B13R2.2382 c1ccc(cc1)CNCC2CC2 269862a_100015324214_100000741477 [0,0,1,1,0,0|1,0,0]=3 7077 B13R2.2382 c1ccc(cc1)CNCC2CC2 270004a_100000735609_100015611070 [0,0,1,1,0,0|1,0,0]=3 7078 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100000735609_100015291786 [0,0,1,1,0,0|1,0,0]=3 7079 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100015324214_100000742324 [0,0,1,1,0,0|1,0,0]=3 7080 B13R2.2382 c1ccc(cc1)CNCC2CO2 2230a_100015324214_100011216344 [0,0,1,1,0,0|2,0,0]=4 7081 B13R2.2382 c1ccc(cc1)CNCC2CO2 34a_100015324214_102125554688 [0,0,1,1,0,0|2,0,0]=4 7082 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000210790_100000742324 [0,0,1,1,0,0|2,0,0]=4 7083 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000211283_100015291786 [0,0,1,1,0,0|2,0,0]=4 7084 B13R2.2382 c1ccc(cc1)COCC2CC2 7a_100000210790_100000742324 [0,0,1,1,0,0|2,0,0]=4 7085 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000211182_100000742324 [0,0,1,1,0,0|2,0,0]=4 7086 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000756562_100015291786 [0,0,1,1,0,0|2,0,0]=4 7087 B13R2.2382 c1ccc(nc1)CNCC2CC2 207a_100000735609_100000209966 [0,0,1,1,0,0|2,0,0]=4 7088 B13R2.2382 c1ccc(nc1)CNCC2CC2 2230a_100000735609_100000721315 [0,0,1,1,0,0|2,0,0]=4 7089 B13R2.2382 c1ccc(nc1)CNCC2CC2 270004a_100000735609_100000209966 [0,0,1,1,0,0|2,0,0]=4 7090 B13R2.2382 c1ccc(nc1)CNCC2CC2 34a_100000735609_100000721315 [0,0,1,1,0,0|2,0,0]=4 7091 B13R2.2382 c1cnc(cn1)CNCC2CC2 2230a_100000735609_100016995436 [0,0,1,1,0,0|1,0,0]=3 7092 B13R2.2382 c1cnc(cn1)CNCC2CC2 270004a_100000735609_100000749867 [0,0,1,1,0,0|1,0,0]=3 7093 B13R2.2382 c1cnc(cn1)CNCC2CC2 34a_100000735609_100016995436 [0,0,1,1,0,0|1,0,0]=3 7094 B13R2.2382 c1cnc(cn1)COCC2CC2 34a_100000211283_100016995436 [0,0,1,1,0,0|2,0,0]=4 7095 B13R2.2382 c1cnc(cn1)CSCC2CC2 62a_100000756562_100016995436 [0,0,1,1,0,0|2,0,0]=4 7096 B13R2.2382 c1cnc(cn1)CSCC2CC2 62a_100016995436_100000742324 [0,0,1,1,0,0|2,0,0]=4 7097 B13R2.2382 c1cncc(c1)CCOC2CC2 34a_100011217484_100000211595 [0,0,1,1,0,0|2,0,0]=4 7098 B13R2.2382 c1cncc(c1)CCSC2CC2 62a_200011713674_100000211595 [0,0,1,1,0,0|2,0,0]=4 7099 B13R2.2382 c1cncc(c1)CNCC2CC2 207a_100000735609_100000209961 [0,0,1,1,0,0|0,0,0]=2 7100 B13R2.2382 c1cncc(c1)CNCC2CC2 2230a_100000735609_100000741622 [0,0,1,1,0,0|0,0,0]=2 7101 B13R2.2382 c1cncc(c1)CNCC2CC2 269862a_100000210453_100000741477 [0,0,1,1,0,0|0,0,0]=2 7102 B13R2.2382 c1cncc(c1)CNCC2CC2 270004a_100000735609_100000209961 [0,0,1,1,0,0|0,0,0]=2 7103 B13R2.2382 c1cncc(c1)CNCC2CC2 34a_100000735609_100000733263 [0,0,1,1,0,0|0,0,0]=2 7104 B13R2.2382 c1cncc(c1)COCC2CC2 34a_100000211283_100000733263 [0,0,1,1,0,0|1,0,0]=3 7105 B13R2.2382 c1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000733263 [0,0,1,1,0,0|2,0,0]=4 7106 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000741622_100000742324 [0,0,1,1,0,0|1,0,0]=3 7107 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000756562_100000741622 [0,0,1,1,0,0|1,0,0]=3 7108 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_100000741622_102125554688 [0,0,1,1,0,0|2,0,0]=4 7109 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_102125554688_100000741622 [0,0,1,1,0,0|2,0,0]=4 7110 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000031435_100000741622 [0,0,1,1,0,0|2,0,0]=4 7111 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000741622_100000031435 [0,0,1,1,0,0|2,0,0]=4 7112 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000741622_100000745022 [0,0,1,1,0,0|2,0,0]=4 7113 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000741622 [0,0,1,1,0,0|2,0,0]=4 7114 B13R2.2382 c1cncc(c1)OCCC2CC2 34a_100000210849_100000694398 [0,0,1,1,0,0|2,0,0]=4 7115 B13R2.2382 c1cncc(c1)OCCC2CC2 7a_100000210849_100000764125 [0,0,1,1,0,0|2,0,0]=4 7116 B13R2.2382 c1cncc(c1)OCCC2CO2 34a_100000210849_100000732470 [0,0,1,1,0,0|2,0,0]=4 7117 B13R2.2382 c1cncc(c1)OCCC2CO2 7a_100000210849_100000732470 [0,0,1,1,0,0|2,0,0]=4 7118 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000210063_100000764125 [0,0,1,1,0,0|2,0,0]=4 7119 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000764125_100000210063 [0,0,1,1,0,0|2,0,0]=4 7120 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000210063_100000732470 [0,0,1,1,0,0|2,0,0]=4 7121 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000732470_100000210063 [0,0,1,1,0,0|2,0,0]=4 7122 B13R2.2382 c1cnnc(c1)CNCC2CC2 2230a_100000735609_100016990269 [0,0,1,1,0,0|1,0,0]=3 7123 B13R2.2382 c1cnnc(c1)CNCC2CC2 2230a_100159270163_100000742324 [0,0,1,1,0,0|1,0,0]=3 7124 B13R2.2382 c1cnnc(c1)CNCC2CC2 269862a_100159270163_100000741477 [0,0,1,1,0,0|1,0,0]=3 7125 B13R2.2382 c1cnnc(c1)CNCC2CC2 34a_100000735609_100016990269 [0,0,1,1,0,0|1,0,0]=3 7126 B13R2.2382 c1cnnc(c1)CNCC2CO2 2230a_100159270163_100011216344 [0,0,1,1,0,0|2,0,0]=4 7127 B13R2.2382 c1cnnc(c1)COCC2CC2 34a_100000211283_100016990269 [0,0,1,1,0,0|2,0,0]=4 7128 B13R2.2382 c1cnnc(c1)CSCC2CC2 62a_100000756562_100016990269 [0,0,1,1,0,0|2,0,0]=4 7129 B13R2.2382 c1cnnc(c1)CSCC2CC2 62a_100016990269_100000742324 [0,0,1,1,0,0|2,0,0]=4 7130 B13R2.2382 c1ncc(cn1)CNCC2CC2 2230a_100000735609_100015196519 [0,0,1,1,0,0|1,0,0]=3 7131 B13R2.2382 c1ncc(cn1)CNCC2CC2 2230a_100011243677_100000742324 [0,0,1,1,0,0|1,0,0]=3 7132 B13R2.2382 c1ncc(cn1)CNCC2CC2 269862a_100011243677_100000741477 [0,0,1,1,0,0|1,0,0]=3 7133 B13R2.2382 c1ncc(cn1)CNCC2CC2 270004a_100000735609_100000749868 [0,0,1,1,0,0|1,0,0]=3 7134 B13R2.2382 c1ncc(cn1)CNCC2CC2 34a_100000735609_100015196519 [0,0,1,1,0,0|1,0,0]=3 7135 B13R2.2382 c1ncc(cn1)CNCC2CO2 2230a_100011243677_100011216344 [0,0,1,1,0,0|2,0,0]=4 7136 B13R2.2382 c1ncc(cn1)COCC2CC2 34a_100000211283_100015196519 [0,0,1,1,0,0|2,0,0]=4 7137 B13R2.2382 c1ncc(cn1)CSCC2CC2 62a_100000756562_100015196519 [0,0,1,1,0,0|2,0,0]=4 7138 B13R2.2382 c1ncc(cn1)CSCC2CC2 62a_100015196519_100000742324 [0,0,1,1,0,0|2,0,0]=4 7139 B13R2.2383 c1cc(ccn1)CNC2CCC2 2230a_100000749019_100015193705 [0,0,1,1,0,0|2,0,0]=4 7140 B13R2.2383 c1cc(cnn1)CNC2COC2 270004a_100016991112_100011934578 [0,0,1,1,0,0|2,0,0]=4 7141 B13R2.2383 c1cc(cnn1)CNC2CSC2 270004a_100016994217_100011934578 [0,0,1,1,0,0|2,0,0]=4 7142 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,0,1,1,0,0|1,0,0]=3 7143 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,0,1,1,0,0|1,0,0]=3 7144 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,0,1,1,0,0|1,0,0]=3 7145 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,0,1,1,0,0|1,0,0]=3 7146 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,0,1,1,0,0|2,0,0]=4 7147 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,0,1,1,0,0|2,0,0]=4 7148 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,0,1,1,0,0|2,0,0]=4 7149 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,0,1,1,0,0|2,0,0]=4 7150 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,0,1,1,0,0|2,0,0]=4 7151 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,0,1,1,0,0|2,0,0]=4 7152 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,0,1,1,0,0|2,0,0]=4 7153 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,0,1,1,0,0|2,0,0]=4 7154 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,0,1,1,0,0|2,0,0]=4 7155 B13R2.2383 c1ccc(nc1)CNC2CCC2 2230a_100000749019_100000721315 [0,0,1,1,0,0|2,0,0]=4 7156 B13R2.2383 c1ccc(nc1)CNC2CCC2 270004a_100000210449_100000241760 [0,0,1,1,0,0|2,0,0]=4 7157 B13R2.2383 c1ccc(nc1)CNC2CCC2 34a_100000749019_100000721315 [0,0,1,1,0,0|2,0,0]=4 7158 B13R2.2383 c1cnc(cn1)CNC2CCC2 2230a_100000749019_100016995436 [0,0,1,1,0,0|1,0,0]=3 7159 B13R2.2383 c1cnc(cn1)CNC2CCC2 34a_100000749019_100016995436 [0,0,1,1,0,0|1,0,0]=3 7160 B13R2.2383 c1cnc(cn1)CNC2COC2 2230a_100016991112_100016995436 [0,0,1,1,0,0|2,0,0]=4 7161 B13R2.2383 c1cnc(cn1)CNC2COC2 270004a_100016991112_100000749867 [0,0,1,1,0,0|2,0,0]=4 7162 B13R2.2383 c1cnc(cn1)CNC2CSC2 270004a_100016994217_100000749867 [0,0,1,1,0,0|2,0,0]=4 7163 B13R2.2383 c1cnc(cn1)COC2CCC2 34a_100000748187_100016995436 [0,0,1,1,0,0|2,0,0]=4 7164 B13R2.2383 c1cnc(cn1)CSC2CCC2 62a_100016995436_100000749161 [0,0,1,1,0,0|2,0,0]=4 7165 B13R2.2383 c1cncc(c1)CCN2CCC2 269982a_100000754969_200011713674 [0,0,1,1,0,0|2,0,0]=4 7166 B13R2.2383 c1cncc(c1)CNC2CCC2 2230a_100000749019_100000741622 [0,0,1,1,0,0|0,0,0]=2 7167 B13R2.2383 c1cncc(c1)CNC2CCC2 270004a_100000210453_100000241760 [0,0,1,1,0,0|0,0,0]=2 7168 B13R2.2383 c1cncc(c1)CNC2CCC2 34a_100000749019_100000733263 [0,0,1,1,0,0|0,0,0]=2 7169 B13R2.2383 c1cncc(c1)CNC2COC2 207a_100016991112_100000209961 [0,0,1,1,0,0|1,0,0]=3 7170 B13R2.2383 c1cncc(c1)CNC2COC2 2230a_100016991112_100000741622 [0,0,1,1,0,0|1,0,0]=3 7171 B13R2.2383 c1cncc(c1)CNC2COC2 270004a_100016991112_100000209961 [0,0,1,1,0,0|1,0,0]=3 7172 B13R2.2383 c1cncc(c1)CNC2CSC2 207a_100016994217_100000209961 [0,0,1,1,0,0|1,0,0]=3 7173 B13R2.2383 c1cncc(c1)CNC2CSC2 270004a_100016994217_100000209961 [0,0,1,1,0,0|1,0,0]=3 7174 B13R2.2383 c1cncc(c1)COC2CCC2 34a_100000748187_100000733263 [0,0,1,1,0,0|1,0,0]=3 7175 B13R2.2383 c1cncc(c1)COC2CSC2 7a_100000072292_100000741622 [0,0,1,1,0,0|2,0,0]=4 7176 B13R2.2383 c1cncc(c1)CSC2CCC2 62a_100000741622_100000749161 [0,0,1,1,0,0|1,0,0]=3 7177 B13R2.2383 c1cncc(c1)CSC2COC2 62a_100000741622_100009818527 [0,0,1,1,0,0|2,0,0]=4 7178 B13R2.2383 c1cncc(c1)OCC2CCC2 34a_100000210849_100000763275 [0,0,1,1,0,0|2,0,0]=4 7179 B13R2.2383 c1cncc(c1)OCC2CCC2 7a_100000210849_100000763275 [0,0,1,1,0,0|2,0,0]=4 7180 B13R2.2383 c1cncc(c1)OCC2CCO2 34a_100000210849_100000103362 [0,0,1,1,0,0|2,0,0]=4 7181 B13R2.2383 c1cncc(c1)OCC2CCO2 7a_100000210849_100000103362 [0,0,1,1,0,0|2,0,0]=4 7182 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000210063_100000763275 [0,0,1,1,0,0|2,0,0]=4 7183 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000763275_100000210063 [0,0,1,1,0,0|2,0,0]=4 7184 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000103362_100000210063 [0,0,1,1,0,0|2,0,0]=4 7185 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000210063_100000103362 [0,0,1,1,0,0|2,0,0]=4 7186 B13R2.2383 c1cnnc(c1)CNC2CCC2 2230a_100000749019_100016990269 [0,0,1,1,0,0|1,0,0]=3 7187 B13R2.2383 c1cnnc(c1)CNC2CCC2 34a_100000749019_100016990269 [0,0,1,1,0,0|1,0,0]=3 7188 B13R2.2383 c1cnnc(c1)CNC2COC2 2230a_100016991112_100016990269 [0,0,1,1,0,0|2,0,0]=4 7189 B13R2.2383 c1cnnc(c1)COC2CCC2 34a_100000748187_100016990269 [0,0,1,1,0,0|2,0,0]=4 7190 B13R2.2383 c1cnnc(c1)CSC2CCC2 62a_100016990269_100000749161 [0,0,1,1,0,0|2,0,0]=4 7191 B13R2.2383 c1ncc(cn1)CNC2CCC2 2230a_100000749019_100015196519 [0,0,1,1,0,0|1,0,0]=3 7192 B13R2.2383 c1ncc(cn1)CNC2CCC2 270004a_100011243677_100000241760 [0,0,1,1,0,0|1,0,0]=3 7193 B13R2.2383 c1ncc(cn1)CNC2CCC2 34a_100000749019_100015196519 [0,0,1,1,0,0|1,0,0]=3 7194 B13R2.2383 c1ncc(cn1)CNC2COC2 2230a_100016991112_100015196519 [0,0,1,1,0,0|2,0,0]=4 7195 B13R2.2383 c1ncc(cn1)CNC2COC2 270004a_100016991112_100000749868 [0,0,1,1,0,0|2,0,0]=4 7196 B13R2.2383 c1ncc(cn1)CNC2CSC2 270004a_100016994217_100000749868 [0,0,1,1,0,0|2,0,0]=4 7197 B13R2.2383 c1ncc(cn1)COC2CCC2 34a_100000748187_100015196519 [0,0,1,1,0,0|2,0,0]=4 7198 B13R2.2383 c1ncc(cn1)CSC2CCC2 62a_100015196519_100000749161 [0,0,1,1,0,0|2,0,0]=4 7199 B13R2.52 CCN1CC(C1)c2cccnc2 269982a_100015183634_100000204670 [0,0,1,1,0,0|2,0,0]=4 7200 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,0,1,1,0,0|1,0,0]=3 7201 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,0,1,1,0,0|2,0,0]=4 7202 B13R2.690 CC(SC1CC1)c2cnccn2 62a_200000703233_100000211595 [0,0,1,1,0,0|2,0,0]=4 7203 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,0,1,1,0,0|2,0,0]=4 7204 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,0,1,1,0,0|1,0,0]=3 7205 B13R2.8137 CC(c1cnccn1)N2CCC2 269982a_100000754969_200000703233 [0,0,1,1,0,0|1,0,0]=3 7206 B15R3.1724 c1cncc(c1)CN2CC3CC3C2 2230a_100000741873_100000741622 [0,0,0,1,0,1|2,0,0]=4 7207 B15R3.1724 c1cncc(c1)CN2CC3CC3C2 269982a_100000741873_100000733263 [0,0,0,1,0,1|2,0,0]=4 7208 B15R3.1724 c1cncc(c1)CN2CC3CC3C2 270004a_100000741873_100000209961 [0,0,0,1,0,1|2,0,0]=4 7209 B15R3.1724 c1cncc(c1)CN2CC3CC3C2 34a_100000741873_100000733263 [0,0,0,1,0,1|2,0,0]=4 7210 B15R3.4204 c1cnc(cn1)N2C3CCC2CC3 27a_100000735658_100000211759 [0,0,0,1,0,1|2,0,0]=4 7211 B15R3.4204 c1cnnc(c1)N2C3CCC2CC3 27a_100000735658_100016991348 [0,0,0,1,0,1|2,0,0]=4 7212 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [0,0,1,0,1,0|1,0,0]=3 7213 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [0,0,1,0,1,0|1,0,0]=3 7214 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [0,0,1,0,1,0|1,0,0]=3 7215 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [0,0,1,0,1,0|1,0,0]=3 7216 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [0,0,1,0,1,0|1,0,0]=3 7217 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [0,0,1,0,1,0|1,0,0]=3 7218 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [0,0,1,0,1,0|0,0,1]=3 7219 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [0,0,1,0,1,0|1,0,0]=3 7220 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [0,0,1,0,1,0|1,0,0]=3 7221 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [0,0,1,0,1,0|1,0,0]=3 7222 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [0,0,1,0,1,0|1,0,0]=3 7223 B11R1.2 CCNC(CC)c1nccs1 2230a_103436540099_100000210202 [0,0,1,0,1,0|1,0,0]=3 7224 B11R1.2 CCNC(CC)c1nccs1 269862a_100015525214_100000031915 [0,0,1,0,1,0|1,0,0]=3 7225 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [0,0,1,0,1,0|2,0,0]=4 7226 B11R1.2 CCN[C@@H](CO)c1nccs1 2230a_202495363701_100000210202 [0,0,1,0,1,0|2,0,0]=4 7227 B11R1.4 CCCCNCc1c[nH]cn1 2230a_100000102301_100000707719 [0,0,1,0,1,0|1,0,0]=3 7228 B11R1.4 CCCCNCc1cc[nH]n1 207a_100000102301_100000738523 [0,0,1,0,1,0|1,0,0]=3 7229 B11R1.4 CCCCNCc1cc[nH]n1 270004a_100000102301_100000738523 [0,0,1,0,1,0|1,0,0]=3 7230 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,0,1,0,1,0|1,0,0]=3 7231 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,0,1,0,1,0|1,0,0]=3 7232 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,0,1,0,1,0|1,0,0]=3 7233 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,0,1,0,1,0|1,0,0]=3 7234 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,0,1,0,1,0|1,0,0]=3 7235 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,0,1,0,1,0|1,0,0]=3 7236 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,0,1,0,1,0|1,0,0]=3 7237 B11R1.4 CCCCNCc1ccn[nH]1 2230a_100000102301_100000728653 [0,0,1,0,1,0|1,0,0]=3 7238 B11R1.4 CCCCNCc1ccn[nH]1 7a_106832991798_100000728653 [0,0,1,0,1,0|1,0,0]=3 7239 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [0,0,1,0,1,0|1,0,0]=3 7240 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [0,0,1,0,1,0|1,0,0]=3 7241 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [0,0,1,0,1,0|1,0,0]=3 7242 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [0,0,1,0,1,0|1,0,0]=3 7243 B11R1.4 CCCCNCc1ccon1 2230a_100000102301_100000234950 [0,0,1,0,1,0|1,0,0]=3 7244 B11R1.4 CCCCNCc1ccon1 7a_106832991798_100000234950 [0,0,1,0,1,0|1,0,0]=3 7245 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [0,0,1,0,1,0|1,0,0]=3 7246 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [0,0,1,0,1,0|1,0,0]=3 7247 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [0,0,1,0,1,0|1,0,0]=3 7248 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [0,0,1,0,1,0|1,0,0]=3 7249 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [0,0,1,0,1,0|1,0,0]=3 7250 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [0,0,1,0,1,0|1,0,0]=3 7251 B11R1.4 CCCCNCc1cn[nH]c1 207a_100000102301_100016992096 [0,0,1,0,1,0|1,0,0]=3 7252 B11R1.4 CCCCNCc1cn[nH]c1 270004a_100000102301_100016992096 [0,0,1,0,1,0|1,0,0]=3 7253 B11R1.4 CCCCNCc1cnc[nH]1 207a_100000102301_100000742939 [0,0,1,0,1,0|1,0,0]=3 7254 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [0,0,1,0,1,0|1,0,0]=3 7255 B11R1.4 CCCCNCc1cncs1 207a_100000102301_100000749870 [0,0,1,0,1,0|1,0,0]=3 7256 B11R1.4 CCCCNCc1cncs1 2230a_100000102301_100015185245 [0,0,1,0,1,0|1,0,0]=3 7257 B11R1.4 CCCCNCc1cncs1 2230a_100016987365_100000210211 [0,0,1,0,1,0|1,0,0]=3 7258 B11R1.4 CCCCNCc1cncs1 270004a_100000102301_100000749870 [0,0,1,0,1,0|1,0,0]=3 7259 B11R1.4 CCCCNCc1cncs1 7a_106832991798_100015185245 [0,0,1,0,1,0|1,0,0]=3 7260 B11R1.4 CCCCNCc1cocn1 270004a_100000102301_100000050382 [0,0,1,0,1,0|1,0,0]=3 7261 B11R1.4 CCCCNCc1cscn1 207a_100000102301_100000743575 [0,0,1,0,1,0|1,0,0]=3 7262 B11R1.4 CCCCNCc1cscn1 2230a_100000102301_100000205941 [0,0,1,0,1,0|1,0,0]=3 7263 B11R1.4 CCCCNCc1cscn1 2230a_100015185402_100000210211 [0,0,1,0,1,0|1,0,0]=3 7264 B11R1.4 CCCCNCc1cscn1 270004a_100000102301_100000743575 [0,0,1,0,1,0|1,0,0]=3 7265 B11R1.4 CCCCNCc1cscn1 7a_106832991798_100000205941 [0,0,1,0,1,0|1,0,0]=3 7266 B11R1.4 CCCCNCc1csnn1 270004a_100000102301_100000738508 [0,0,1,0,1,0|2,0,0]=4 7267 B11R1.4 CCCCNCc1ncc[nH]1 207a_100000102301_100000743867 [0,0,1,0,1,0|1,0,0]=3 7268 B11R1.4 CCCCNCc1ncc[nH]1 2230a_100000102301_100016991755 [0,0,1,0,1,0|1,0,0]=3 7269 B11R1.4 CCCCNCc1ncc[nH]1 7a_106832991798_100000753453 [0,0,1,0,1,0|1,0,0]=3 7270 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [0,0,1,0,1,0|1,0,0]=3 7271 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [0,0,1,0,1,0|1,0,0]=3 7272 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [0,0,1,0,1,0|1,0,0]=3 7273 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [0,0,1,0,1,0|1,0,0]=3 7274 B11R1.4 CCCCNCc1nccs1 207a_100000102301_100000750902 [0,0,1,0,1,0|1,0,0]=3 7275 B11R1.4 CCCCNCc1nccs1 2230a_100000102301_100015184050 [0,0,1,0,1,0|1,0,0]=3 7276 B11R1.4 CCCCNCc1nccs1 2230a_100000740555_100000210211 [0,0,1,0,1,0|1,0,0]=3 7277 B11R1.4 CCCCNCc1nccs1 270004a_100000102301_100000750902 [0,0,1,0,1,0|1,0,0]=3 7278 B11R1.4 CCCCNCc1nccs1 7a_106832991798_100015184050 [0,0,1,0,1,0|1,0,0]=3 7279 B11R1.4 CCCCNCc1nnc[nH]1 2230a_200015183720_100000210211 [0,0,1,0,1,0|2,0,0]=4 7280 B11R1.4 CCCCNCn1cncn1 2230a_100000102301_200020645497 [0,0,1,0,1,0|2,0,0]=4 7281 B11R1.4 CCCCNCn1cncn1 7a_106832991798_200020645497 [0,0,1,0,1,0|2,0,0]=4 7282 B11R1.4 CCCCOCc1c[nH]cn1 34a_100000210227_100000707719 [0,0,1,0,1,0|2,0,0]=4 7283 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,0,1,0,1,0|2,0,0]=4 7284 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,0,1,0,1,0|2,0,0]=4 7285 B11R1.4 CCCCOCc1ccn[nH]1 34a_100000210227_100000728653 [0,0,1,0,1,0|2,0,0]=4 7286 B11R1.4 CCCCOCc1ccn[nH]1 7a_100000210227_100000728653 [0,0,1,0,1,0|2,0,0]=4 7287 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [0,0,1,0,1,0|2,0,0]=4 7288 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [0,0,1,0,1,0|2,0,0]=4 7289 B11R1.4 CCCCOCc1ccon1 34a_100000210227_100000234950 [0,0,1,0,1,0|2,0,0]=4 7290 B11R1.4 CCCCOCc1ccon1 7a_100000210227_100000234950 [0,0,1,0,1,0|2,0,0]=4 7291 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,0,1,0,1,0|2,0,0]=4 7292 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,0,1,0,1,0|2,0,0]=4 7293 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,0,1,0,1,0|2,0,0]=4 7294 B11R1.4 CCCCOCc1cncs1 34a_100000210227_100015185245 [0,0,1,0,1,0|2,0,0]=4 7295 B11R1.4 CCCCOCc1cncs1 7a_100000210227_100015185245 [0,0,1,0,1,0|2,0,0]=4 7296 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [0,0,1,0,1,0|2,0,0]=4 7297 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [0,0,1,0,1,0|2,0,0]=4 7298 B11R1.4 CCCCOCc1ncc[nH]1 34a_100000210227_100016991755 [0,0,1,0,1,0|2,0,0]=4 7299 B11R1.4 CCCCOCc1ncc[nH]1 7a_100000210227_100000753453 [0,0,1,0,1,0|2,0,0]=4 7300 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [0,0,1,0,1,0|2,0,0]=4 7301 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [0,0,1,0,1,0|2,0,0]=4 7302 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [0,0,1,0,1,0|2,0,0]=4 7303 B11R1.4 CCCCOCc1nccs1 34a_100000210227_100015184050 [0,0,1,0,1,0|2,0,0]=4 7304 B11R1.4 CCCCOCc1nccs1 7a_100000210227_100015184050 [0,0,1,0,1,0|2,0,0]=4 7305 B11R1.4 CCCCOCn1cccn1 34a_100000731028_100000210210 [0,0,1,0,1,0|2,0,0]=4 7306 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000210211_100000707719 [0,0,1,0,1,0|2,0,0]=4 7307 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000707719_100000210210 [0,0,1,0,1,0|2,0,0]=4 7308 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000210211_100000728653 [0,0,1,0,1,0|2,0,0]=4 7309 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000728653_100000210210 [0,0,1,0,1,0|2,0,0]=4 7310 B11R1.4 CCCCSCc1ccon1 62a_100000210211_100000234950 [0,0,1,0,1,0|2,0,0]=4 7311 B11R1.4 CCCCSCc1ccon1 62a_100000234950_100000210210 [0,0,1,0,1,0|2,0,0]=4 7312 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [0,0,1,0,1,0|2,0,0]=4 7313 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [0,0,1,0,1,0|2,0,0]=4 7314 B11R1.4 CCCCSCc1cncs1 62a_100000210211_100015185245 [0,0,1,0,1,0|2,0,0]=4 7315 B11R1.4 CCCCSCc1cncs1 62a_100015185245_100000210210 [0,0,1,0,1,0|2,0,0]=4 7316 B11R1.4 CCCCSCc1cscn1 62a_100000205941_100000210210 [0,0,1,0,1,0|2,0,0]=4 7317 B11R1.4 CCCCSCc1cscn1 62a_100000210211_100000205941 [0,0,1,0,1,0|2,0,0]=4 7318 B11R1.4 CCCCSCc1ncc[nH]1 62a_100000210211_100016991755 [0,0,1,0,1,0|2,0,0]=4 7319 B11R1.4 CCCCSCc1ncc[nH]1 62a_100016991755_100000210210 [0,0,1,0,1,0|2,0,0]=4 7320 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [0,0,1,0,1,0|2,0,0]=4 7321 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [0,0,1,0,1,0|2,0,0]=4 7322 B11R1.4 CCCCSCc1nccs1 62a_100000210211_100015184050 [0,0,1,0,1,0|2,0,0]=4 7323 B11R1.4 CCCCSCc1nccs1 62a_100015184050_100000210210 [0,0,1,0,1,0|2,0,0]=4 7324 B11R1.4 COCCNCc1c[nH]cn1 2230a_100000209980_100000707719 [0,0,1,0,1,0|2,0,0]=4 7325 B11R1.4 COCCNCc1cc[nH]n1 207a_100000209980_100000738523 [0,0,1,0,1,0|2,0,0]=4 7326 B11R1.4 COCCNCc1cc[nH]n1 270004a_100000209980_100000738523 [0,0,1,0,1,0|2,0,0]=4 7327 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [0,0,1,0,1,0|2,0,0]=4 7328 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [0,0,1,0,1,0|2,0,0]=4 7329 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [0,0,1,0,1,0|2,0,0]=4 7330 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [0,0,1,0,1,0|2,0,0]=4 7331 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [0,0,1,0,1,0|2,0,0]=4 7332 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [0,0,1,0,1,0|2,0,0]=4 7333 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [0,0,1,0,1,0|2,0,0]=4 7334 B11R1.4 COCCNCc1ccn[nH]1 2230a_100000209980_100000728653 [0,0,1,0,1,0|2,0,0]=4 7335 B11R1.4 COCCNCc1ccoc1 207a_100000209980_100011215517 [0,0,1,0,1,0|2,0,0]=4 7336 B11R1.4 COCCNCc1ccoc1 2230a_100015206860_100011201679 [0,0,1,0,1,0|2,0,0]=4 7337 B11R1.4 COCCNCc1ccoc1 270004a_100000209980_100011215517 [0,0,1,0,1,0|2,0,0]=4 7338 B11R1.4 COCCNCc1ccoc1 34a_100015206860_100011201679 [0,0,1,0,1,0|2,0,0]=4 7339 B11R1.4 COCCNCc1ccon1 2230a_100000209980_100000234950 [0,0,1,0,1,0|2,0,0]=4 7340 B11R1.4 COCCNCc1ccsc1 207a_100000209980_100000188534 [0,0,1,0,1,0|2,0,0]=4 7341 B11R1.4 COCCNCc1ccsc1 2230a_100000186416_100011201679 [0,0,1,0,1,0|2,0,0]=4 7342 B11R1.4 COCCNCc1ccsc1 2230a_100000209980_100011261437 [0,0,1,0,1,0|2,0,0]=4 7343 B11R1.4 COCCNCc1ccsc1 270004a_100000209980_100000188534 [0,0,1,0,1,0|2,0,0]=4 7344 B11R1.4 COCCNCc1ccsc1 34a_100000186416_100011201679 [0,0,1,0,1,0|2,0,0]=4 7345 B11R1.4 COCCNCc1cn[nH]c1 207a_100000209980_100016992096 [0,0,1,0,1,0|2,0,0]=4 7346 B11R1.4 COCCNCc1cn[nH]c1 270004a_100000209980_100016992096 [0,0,1,0,1,0|2,0,0]=4 7347 B11R1.4 COCCNCc1cnc[nH]1 207a_100000209980_100000742939 [0,0,1,0,1,0|2,0,0]=4 7348 B11R1.4 COCCNCc1cnco1 270004a_100000209980_100000064291 [0,0,1,0,1,0|2,0,0]=4 7349 B11R1.4 COCCNCc1cncs1 207a_100000209980_100000749870 [0,0,1,0,1,0|2,0,0]=4 7350 B11R1.4 COCCNCc1cncs1 2230a_100000209980_100015185245 [0,0,1,0,1,0|2,0,0]=4 7351 B11R1.4 COCCNCc1cncs1 2230a_100016987365_100011201679 [0,0,1,0,1,0|2,0,0]=4 7352 B11R1.4 COCCNCc1cncs1 270004a_100000209980_100000749870 [0,0,1,0,1,0|2,0,0]=4 7353 B11R1.4 COCCNCc1cocn1 270004a_100000209980_100000050382 [0,0,1,0,1,0|2,0,0]=4 7354 B11R1.4 COCCNCc1cscn1 207a_100000209980_100000743575 [0,0,1,0,1,0|2,0,0]=4 7355 B11R1.4 COCCNCc1cscn1 2230a_100000209980_100000205941 [0,0,1,0,1,0|2,0,0]=4 7356 B11R1.4 COCCNCc1cscn1 2230a_100015185402_100011201679 [0,0,1,0,1,0|2,0,0]=4 7357 B11R1.4 COCCNCc1cscn1 270004a_100000209980_100000743575 [0,0,1,0,1,0|2,0,0]=4 7358 B11R1.4 COCCNCc1ncc[nH]1 207a_100000209980_100000743867 [0,0,1,0,1,0|2,0,0]=4 7359 B11R1.4 COCCNCc1ncc[nH]1 2230a_100000209980_100016991755 [0,0,1,0,1,0|2,0,0]=4 7360 B11R1.4 COCCNCc1ncco1 2230a_100000209980_103436540062 [0,0,1,0,1,0|2,0,0]=4 7361 B11R1.4 COCCNCc1ncco1 2230a_100016994969_100011201679 [0,0,1,0,1,0|2,0,0]=4 7362 B11R1.4 COCCNCc1ncco1 270004a_100000209980_100000064290 [0,0,1,0,1,0|2,0,0]=4 7363 B11R1.4 COCCNCc1nccs1 207a_100000209980_100000750902 [0,0,1,0,1,0|2,0,0]=4 7364 B11R1.4 COCCNCc1nccs1 2230a_100000209980_100015184050 [0,0,1,0,1,0|2,0,0]=4 7365 B11R1.4 COCCNCc1nccs1 2230a_100000740555_100011201679 [0,0,1,0,1,0|2,0,0]=4 7366 B11R1.4 COCCNCc1nccs1 270004a_100000209980_100000750902 [0,0,1,0,1,0|2,0,0]=4 7367 B11R1.4 CSCCNCc1c[nH]cn1 2230a_100020590264_100000707719 [0,0,1,0,1,0|2,0,0]=4 7368 B11R1.4 CSCCNCc1cc[nH]n1 207a_100020590264_100000738523 [0,0,1,0,1,0|2,0,0]=4 7369 B11R1.4 CSCCNCc1cc[nH]n1 270004a_100020590264_100000738523 [0,0,1,0,1,0|2,0,0]=4 7370 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [0,0,1,0,1,0|2,0,0]=4 7371 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [0,0,1,0,1,0|2,0,0]=4 7372 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [0,0,1,0,1,0|2,0,0]=4 7373 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [0,0,1,0,1,0|2,0,0]=4 7374 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [0,0,1,0,1,0|2,0,0]=4 7375 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [0,0,1,0,1,0|2,0,0]=4 7376 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [0,0,1,0,1,0|2,0,0]=4 7377 B11R1.4 CSCCNCc1ccn[nH]1 2230a_100020590264_100000728653 [0,0,1,0,1,0|2,0,0]=4 7378 B11R1.4 CSCCNCc1ccoc1 207a_100020590264_100011215517 [0,0,1,0,1,0|2,0,0]=4 7379 B11R1.4 CSCCNCc1ccoc1 2230a_100015206860_100000751147 [0,0,1,0,1,0|2,0,0]=4 7380 B11R1.4 CSCCNCc1ccoc1 270004a_100020590264_100011215517 [0,0,1,0,1,0|2,0,0]=4 7381 B11R1.4 CSCCNCc1ccoc1 34a_100015206860_100000212216 [0,0,1,0,1,0|2,0,0]=4 7382 B11R1.4 CSCCNCc1ccon1 2230a_100020590264_100000234950 [0,0,1,0,1,0|2,0,0]=4 7383 B11R1.4 CSCCNCc1ccsc1 207a_100020590264_100000188534 [0,0,1,0,1,0|2,0,0]=4 7384 B11R1.4 CSCCNCc1ccsc1 2230a_100000186416_100000751147 [0,0,1,0,1,0|2,0,0]=4 7385 B11R1.4 CSCCNCc1ccsc1 2230a_100020590264_100011261437 [0,0,1,0,1,0|2,0,0]=4 7386 B11R1.4 CSCCNCc1ccsc1 270004a_100020590264_100000188534 [0,0,1,0,1,0|2,0,0]=4 7387 B11R1.4 CSCCNCc1ccsc1 34a_100000186416_100000212216 [0,0,1,0,1,0|2,0,0]=4 7388 B11R1.4 CSCCNCc1cn[nH]c1 207a_100020590264_100016992096 [0,0,1,0,1,0|2,0,0]=4 7389 B11R1.4 CSCCNCc1cn[nH]c1 270004a_100020590264_100016992096 [0,0,1,0,1,0|2,0,0]=4 7390 B11R1.4 CSCCNCc1cnc[nH]1 207a_100020590264_100000742939 [0,0,1,0,1,0|2,0,0]=4 7391 B11R1.4 CSCCNCc1cnco1 270004a_100020590264_100000064291 [0,0,1,0,1,0|2,0,0]=4 7392 B11R1.4 CSCCNCc1cncs1 207a_100020590264_100000749870 [0,0,1,0,1,0|2,0,0]=4 7393 B11R1.4 CSCCNCc1cncs1 2230a_100016987365_100000751147 [0,0,1,0,1,0|2,0,0]=4 7394 B11R1.4 CSCCNCc1cncs1 2230a_100020590264_100015185245 [0,0,1,0,1,0|2,0,0]=4 7395 B11R1.4 CSCCNCc1cncs1 270004a_100020590264_100000749870 [0,0,1,0,1,0|2,0,0]=4 7396 B11R1.4 CSCCNCc1cocn1 270004a_100020590264_100000050382 [0,0,1,0,1,0|2,0,0]=4 7397 B11R1.4 CSCCNCc1cscn1 207a_100020590264_100000743575 [0,0,1,0,1,0|2,0,0]=4 7398 B11R1.4 CSCCNCc1cscn1 2230a_100015185402_100000751147 [0,0,1,0,1,0|2,0,0]=4 7399 B11R1.4 CSCCNCc1cscn1 2230a_100020590264_100000205941 [0,0,1,0,1,0|2,0,0]=4 7400 B11R1.4 CSCCNCc1cscn1 270004a_100020590264_100000743575 [0,0,1,0,1,0|2,0,0]=4 7401 B11R1.4 CSCCNCc1ncc[nH]1 207a_100020590264_100000743867 [0,0,1,0,1,0|2,0,0]=4 7402 B11R1.4 CSCCNCc1ncc[nH]1 2230a_100020590264_100016991755 [0,0,1,0,1,0|2,0,0]=4 7403 B11R1.4 CSCCNCc1ncco1 2230a_100016994969_100000751147 [0,0,1,0,1,0|2,0,0]=4 7404 B11R1.4 CSCCNCc1ncco1 2230a_100020590264_103436540062 [0,0,1,0,1,0|2,0,0]=4 7405 B11R1.4 CSCCNCc1ncco1 270004a_100020590264_100000064290 [0,0,1,0,1,0|2,0,0]=4 7406 B11R1.4 CSCCNCc1nccs1 207a_100020590264_100000750902 [0,0,1,0,1,0|2,0,0]=4 7407 B11R1.4 CSCCNCc1nccs1 2230a_100000740555_100000751147 [0,0,1,0,1,0|2,0,0]=4 7408 B11R1.4 CSCCNCc1nccs1 2230a_100020590264_100015184050 [0,0,1,0,1,0|2,0,0]=4 7409 B11R1.4 CSCCNCc1nccs1 270004a_100020590264_100000750902 [0,0,1,0,1,0|2,0,0]=4 7410 B11R1.4 FCCCNCc1c[nH]cn1 2230a_100015189416_100000707719 [0,0,1,0,1,0|2,0,0]=4 7411 B11R1.4 FCCCNCc1c[nH]cn1 34a_100015189416_100000707719 [0,0,1,0,1,0|2,0,0]=4 7412 B11R1.4 FCCCNCc1cc[nH]n1 207a_100015189416_100000738523 [0,0,1,0,1,0|2,0,0]=4 7413 B11R1.4 FCCCNCc1cc[nH]n1 270004a_100015189416_100000738523 [0,0,1,0,1,0|2,0,0]=4 7414 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [0,0,1,0,1,0|2,0,0]=4 7415 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [0,0,1,0,1,0|2,0,0]=4 7416 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [0,0,1,0,1,0|2,0,0]=4 7417 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [0,0,1,0,1,0|2,0,0]=4 7418 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [0,0,1,0,1,0|2,0,0]=4 7419 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [0,0,1,0,1,0|2,0,0]=4 7420 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [0,0,1,0,1,0|2,0,0]=4 7421 B11R1.4 FCCCNCc1ccn[nH]1 2230a_100015189416_100000728653 [0,0,1,0,1,0|2,0,0]=4 7422 B11R1.4 FCCCNCc1ccn[nH]1 34a_100015189416_100000728653 [0,0,1,0,1,0|2,0,0]=4 7423 B11R1.4 FCCCNCc1ccoc1 207a_100015189416_100011215517 [0,0,1,0,1,0|2,0,0]=4 7424 B11R1.4 FCCCNCc1ccoc1 2230a_100015206860_100011934791 [0,0,1,0,1,0|2,0,0]=4 7425 B11R1.4 FCCCNCc1ccoc1 270004a_100015189416_100011215517 [0,0,1,0,1,0|2,0,0]=4 7426 B11R1.4 FCCCNCc1ccoc1 34a_100015206860_100011934791 [0,0,1,0,1,0|2,0,0]=4 7427 B11R1.4 FCCCNCc1ccon1 2230a_100015189416_100000234950 [0,0,1,0,1,0|2,0,0]=4 7428 B11R1.4 FCCCNCc1ccon1 34a_100015189416_100000234950 [0,0,1,0,1,0|2,0,0]=4 7429 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [0,0,1,0,1,0|2,0,0]=4 7430 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [0,0,1,0,1,0|2,0,0]=4 7431 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [0,0,1,0,1,0|2,0,0]=4 7432 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [0,0,1,0,1,0|2,0,0]=4 7433 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [0,0,1,0,1,0|2,0,0]=4 7434 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [0,0,1,0,1,0|2,0,0]=4 7435 B11R1.4 FCCCNCc1cn[nH]c1 207a_100015189416_100016992096 [0,0,1,0,1,0|2,0,0]=4 7436 B11R1.4 FCCCNCc1cn[nH]c1 270004a_100015189416_100016992096 [0,0,1,0,1,0|2,0,0]=4 7437 B11R1.4 FCCCNCc1cnc[nH]1 207a_100015189416_100000742939 [0,0,1,0,1,0|2,0,0]=4 7438 B11R1.4 FCCCNCc1cnco1 270004a_100015189416_100000064291 [0,0,1,0,1,0|2,0,0]=4 7439 B11R1.4 FCCCNCc1cncs1 207a_100015189416_100000749870 [0,0,1,0,1,0|2,0,0]=4 7440 B11R1.4 FCCCNCc1cncs1 2230a_100015189416_100015185245 [0,0,1,0,1,0|2,0,0]=4 7441 B11R1.4 FCCCNCc1cncs1 2230a_100016987365_100011934791 [0,0,1,0,1,0|2,0,0]=4 7442 B11R1.4 FCCCNCc1cncs1 270004a_100015189416_100000749870 [0,0,1,0,1,0|2,0,0]=4 7443 B11R1.4 FCCCNCc1cncs1 34a_100015189416_100015185245 [0,0,1,0,1,0|2,0,0]=4 7444 B11R1.4 FCCCNCc1cocn1 270004a_100015189416_100000050382 [0,0,1,0,1,0|2,0,0]=4 7445 B11R1.4 FCCCNCc1cscn1 207a_100015189416_100000743575 [0,0,1,0,1,0|2,0,0]=4 7446 B11R1.4 FCCCNCc1cscn1 2230a_100015185402_100011934791 [0,0,1,0,1,0|2,0,0]=4 7447 B11R1.4 FCCCNCc1cscn1 2230a_100015189416_100000205941 [0,0,1,0,1,0|2,0,0]=4 7448 B11R1.4 FCCCNCc1cscn1 270004a_100015189416_100000743575 [0,0,1,0,1,0|2,0,0]=4 7449 B11R1.4 FCCCNCc1cscn1 34a_100015189416_100000205941 [0,0,1,0,1,0|2,0,0]=4 7450 B11R1.4 FCCCNCc1ncc[nH]1 207a_100015189416_100000743867 [0,0,1,0,1,0|2,0,0]=4 7451 B11R1.4 FCCCNCc1ncc[nH]1 2230a_100015189416_100016991755 [0,0,1,0,1,0|2,0,0]=4 7452 B11R1.4 FCCCNCc1ncc[nH]1 34a_100015189416_100016991755 [0,0,1,0,1,0|2,0,0]=4 7453 B11R1.4 FCCCNCc1ncco1 2230a_100015189416_103436540062 [0,0,1,0,1,0|2,0,0]=4 7454 B11R1.4 FCCCNCc1ncco1 2230a_100016994969_100011934791 [0,0,1,0,1,0|2,0,0]=4 7455 B11R1.4 FCCCNCc1ncco1 270004a_100015189416_100000064290 [0,0,1,0,1,0|2,0,0]=4 7456 B11R1.4 FCCCNCc1ncco1 34a_100015189416_103436540062 [0,0,1,0,1,0|2,0,0]=4 7457 B11R1.4 FCCCNCc1nccs1 207a_100015189416_100000750902 [0,0,1,0,1,0|2,0,0]=4 7458 B11R1.4 FCCCNCc1nccs1 2230a_100000740555_100011934791 [0,0,1,0,1,0|2,0,0]=4 7459 B11R1.4 FCCCNCc1nccs1 2230a_100015189416_100015184050 [0,0,1,0,1,0|2,0,0]=4 7460 B11R1.4 FCCCNCc1nccs1 270004a_100015189416_100000750902 [0,0,1,0,1,0|2,0,0]=4 7461 B11R1.4 FCCCNCc1nccs1 34a_100015189416_100015184050 [0,0,1,0,1,0|2,0,0]=4 7462 B11R1.4 NCCCOCc1c[nH]cn1 34a_100000182051_100000707719 [0,0,1,0,1,0|2,0,0]=4 7463 B11R1.4 NCCCOCc1ccn[nH]1 34a_100000182051_100000728653 [0,0,1,0,1,0|2,0,0]=4 7464 B11R1.4 NCCCOCc1ccon1 34a_100000182051_100000234950 [0,0,1,0,1,0|2,0,0]=4 7465 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,0,1,0,1,0|2,0,0]=4 7466 B11R1.4 NCCCOCc1cncs1 34a_100000182051_100015185245 [0,0,1,0,1,0|2,0,0]=4 7467 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [0,0,1,0,1,0|2,0,0]=4 7468 B11R1.4 NCCCOCc1ncc[nH]1 34a_100000182051_100016991755 [0,0,1,0,1,0|2,0,0]=4 7469 B11R1.4 NCCCOCc1ncco1 34a_100000182051_103436540062 [0,0,1,0,1,0|2,0,0]=4 7470 B11R1.4 NCCCOCc1nccs1 34a_100000182051_100015184050 [0,0,1,0,1,0|2,0,0]=4 7471 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,0,1,0,1,0|2,0,0]=4 7472 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [0,0,1,0,1,0|2,0,0]=4 7473 B11R1.4 OCCCNCc1cc[nH]n1 207a_100000182051_100000738523 [0,0,1,0,1,0|2,0,0]=4 7474 B11R1.4 OCCCNCc1cc[nH]n1 270004a_100000182051_100000738523 [0,0,1,0,1,0|2,0,0]=4 7475 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [0,0,1,0,1,0|2,0,0]=4 7476 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [0,0,1,0,1,0|2,0,0]=4 7477 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [0,0,1,0,1,0|2,0,0]=4 7478 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [0,0,1,0,1,0|2,0,0]=4 7479 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [0,0,1,0,1,0|2,0,0]=4 7480 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [0,0,1,0,1,0|2,0,0]=4 7481 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [0,0,1,0,1,0|2,0,0]=4 7482 B11R1.4 OCCCNCc1ccoc1 207a_100000182051_100011215517 [0,0,1,0,1,0|2,0,0]=4 7483 B11R1.4 OCCCNCc1ccoc1 2230a_100015206860_100000230001 [0,0,1,0,1,0|2,0,0]=4 7484 B11R1.4 OCCCNCc1ccoc1 270004a_100000182051_100011215517 [0,0,1,0,1,0|2,0,0]=4 7485 B11R1.4 OCCCNCc1ccoc1 34a_100015206860_100000230001 [0,0,1,0,1,0|2,0,0]=4 7486 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [0,0,1,0,1,0|2,0,0]=4 7487 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [0,0,1,0,1,0|2,0,0]=4 7488 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [0,0,1,0,1,0|2,0,0]=4 7489 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [0,0,1,0,1,0|2,0,0]=4 7490 B11R1.4 OCCCNCc1cn[nH]c1 207a_100000182051_100016992096 [0,0,1,0,1,0|2,0,0]=4 7491 B11R1.4 OCCCNCc1cn[nH]c1 270004a_100000182051_100016992096 [0,0,1,0,1,0|2,0,0]=4 7492 B11R1.4 OCCCNCc1cnc[nH]1 207a_100000182051_100000742939 [0,0,1,0,1,0|2,0,0]=4 7493 B11R1.4 OCCCNCc1cnco1 270004a_100000182051_100000064291 [0,0,1,0,1,0|2,0,0]=4 7494 B11R1.4 OCCCNCc1cncs1 207a_100000182051_100000749870 [0,0,1,0,1,0|2,0,0]=4 7495 B11R1.4 OCCCNCc1cncs1 2230a_100016987365_100000230001 [0,0,1,0,1,0|2,0,0]=4 7496 B11R1.4 OCCCNCc1cncs1 270004a_100000182051_100000749870 [0,0,1,0,1,0|2,0,0]=4 7497 B11R1.4 OCCCNCc1cocn1 270004a_100000182051_100000050382 [0,0,1,0,1,0|2,0,0]=4 7498 B11R1.4 OCCCNCc1cscn1 207a_100000182051_100000743575 [0,0,1,0,1,0|2,0,0]=4 7499 B11R1.4 OCCCNCc1cscn1 2230a_100015185402_100000230001 [0,0,1,0,1,0|2,0,0]=4 7500 B11R1.4 OCCCNCc1cscn1 270004a_100000182051_100000743575 [0,0,1,0,1,0|2,0,0]=4 7501 B11R1.4 OCCCNCc1ncc[nH]1 207a_100000182051_100000743867 [0,0,1,0,1,0|2,0,0]=4 7502 B11R1.4 OCCCNCc1ncco1 2230a_100016994969_100000230001 [0,0,1,0,1,0|2,0,0]=4 7503 B11R1.4 OCCCNCc1ncco1 270004a_100000182051_100000064290 [0,0,1,0,1,0|2,0,0]=4 7504 B11R1.4 OCCCNCc1nccs1 207a_100000182051_100000750902 [0,0,1,0,1,0|2,0,0]=4 7505 B11R1.4 OCCCNCc1nccs1 2230a_100000740555_100000230001 [0,0,1,0,1,0|2,0,0]=4 7506 B11R1.4 OCCCNCc1nccs1 270004a_100000182051_100000750902 [0,0,1,0,1,0|2,0,0]=4 7507 B11R1.29 C=CC=CC(=O)C1CCCC1 1458a_100016291481_100000179811 [0,0,1,0,1,0|2,0,0]=4 7508 B11R1.29 CC(NCCF)c1cc[nH]c1 269862a_100000724931_100000753940 [0,0,1,0,1,0|1,0,1]=4 7509 B11R1.29 CC(NCCF)c1ccc[nH]1 269862a_100000724931_100000183661 [0,0,1,0,1,0|1,0,1]=4 7510 B11R1.29 CC(NCCF)c1cccs1 2230a_100000703493_100011217306 [0,0,1,0,1,0|2,0,0]=4 7511 B11R1.29 CC(NCCF)c1cccs1 269862a_100000724931_100000185736 [0,0,1,0,1,0|2,0,0]=4 7512 B11R1.29 CC(NCCF)c1ccn[nH]1 269862a_100000724931_100000747476 [0,0,1,0,1,0|2,0,0]=4 7513 B11R1.29 CC(NCCF)c1ccoc1 2230a_100000690049_100011217306 [0,0,1,0,1,0|2,0,0]=4 7514 B11R1.29 CC(NCCF)c1ccsc1 2230a_100000748604_100011217306 [0,0,1,0,1,0|2,0,0]=4 7515 B11R1.29 CC(NCCF)c1ccsc1 269862a_100000724931_100000747891 [0,0,1,0,1,0|2,0,0]=4 7516 B11R1.29 CC(NCCF)c1cn[nH]c1 269862a_100000724931_100000725364 [0,0,1,0,1,0|2,0,0]=4 7517 B11R1.29 CC(NCCF)c1cscn1 269862a_100000724931_100000693406 [0,0,1,0,1,0|2,0,0]=4 7518 B11R1.29 CC(NCCF)c1ncc[nH]1 269862a_100000724931_100000718901 [0,0,1,0,1,0|2,0,0]=4 7519 B11R1.29 CC(NCCF)c1nccs1 2230a_100000725601_100011217306 [0,0,1,0,1,0|2,0,0]=4 7520 B11R1.29 CC(NCCO)c1cc[nH]c1 269862a_100000210304_100000753940 [0,0,1,0,1,0|1,0,1]=4 7521 B11R1.29 CC(NCCO)c1ccc[nH]1 269862a_100000210304_100000183661 [0,0,1,0,1,0|1,0,1]=4 7522 B11R1.29 CC(NCCO)c1cccs1 2230a_100000703493_100000211926 [0,0,1,0,1,0|2,0,0]=4 7523 B11R1.29 CC(NCCO)c1cccs1 269862a_100000210304_100000185736 [0,0,1,0,1,0|2,0,0]=4 7524 B11R1.29 CC(NCCO)c1ccn[nH]1 269862a_100000210304_100000747476 [0,0,1,0,1,0|2,0,0]=4 7525 B11R1.29 CC(NCCO)c1ccoc1 2230a_100000690049_100000211926 [0,0,1,0,1,0|2,0,0]=4 7526 B11R1.29 CC(NCCO)c1ccsc1 2230a_100000748604_100000211926 [0,0,1,0,1,0|2,0,0]=4 7527 B11R1.29 CC(NCCO)c1ccsc1 269862a_100000210304_100000747891 [0,0,1,0,1,0|2,0,0]=4 7528 B11R1.29 CC(NCCO)c1cn[nH]c1 269862a_100000210304_100000725364 [0,0,1,0,1,0|2,0,0]=4 7529 B11R1.29 CC(NCCO)c1cscn1 269862a_100000210304_100000693406 [0,0,1,0,1,0|2,0,0]=4 7530 B11R1.29 CC(NCCO)c1ncc[nH]1 269862a_100000210304_100000718901 [0,0,1,0,1,0|2,0,0]=4 7531 B11R1.29 CC(NCCO)c1nccs1 2230a_100000725601_100000211926 [0,0,1,0,1,0|2,0,0]=4 7532 B11R1.29 CCCNC(C)c1cc[nH]c1 269862a_100020643023_100000753940 [0,0,1,0,1,0|0,0,1]=3 7533 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,0,1,0,1,0|0,0,1]=3 7534 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,0,1,0,1,0|1,0,0]=3 7535 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,0,1,0,1,0|1,0,0]=3 7536 B11R1.29 CCCNC(C)c1ccn[nH]1 269862a_100020643023_100000747476 [0,0,1,0,1,0|1,0,0]=3 7537 B11R1.29 CCCNC(C)c1ccoc1 2230a_100000690049_100000210303 [0,0,1,0,1,0|1,0,0]=3 7538 B11R1.29 CCCNC(C)c1ccsc1 2230a_100000748604_100000210303 [0,0,1,0,1,0|1,0,0]=3 7539 B11R1.29 CCCNC(C)c1ccsc1 269862a_100020643023_100000747891 [0,0,1,0,1,0|1,0,0]=3 7540 B11R1.29 CCCNC(C)c1cn[nH]c1 269862a_100020643023_100000725364 [0,0,1,0,1,0|1,0,0]=3 7541 B11R1.29 CCCNC(C)c1cscn1 269862a_100020643023_100000693406 [0,0,1,0,1,0|1,0,0]=3 7542 B11R1.29 CCCNC(C)c1ncc[nH]1 269862a_100020643023_100000718901 [0,0,1,0,1,0|1,0,0]=3 7543 B11R1.29 CCCNC(C)c1nccs1 2230a_100000725601_100000210303 [0,0,1,0,1,0|1,0,0]=3 7544 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,0,1,0,1,0|1,0,0]=3 7545 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [0,0,1,0,1,0|2,0,0]=4 7546 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [0,0,1,0,1,0|2,0,0]=4 7547 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [0,0,1,0,1,0|2,0,0]=4 7548 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,0,1,0,1,0|2,0,0]=4 7549 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,0,1,0,1,0|2,0,0]=4 7550 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,0,1,0,1,0|2,0,0]=4 7551 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,0,1,0,1,0|2,0,0]=4 7552 B11R1.29 COCNC(C)c1cccs1 2230a_100000703493_100000766300 [0,0,1,0,1,0|2,0,0]=4 7553 B11R1.29 COCNC(C)c1ccoc1 2230a_100000690049_100000766300 [0,0,1,0,1,0|2,0,0]=4 7554 B11R1.29 COCNC(C)c1ccsc1 2230a_100000748604_100000766300 [0,0,1,0,1,0|2,0,0]=4 7555 B11R1.29 COCNC(C)c1nccs1 2230a_100000725601_100000766300 [0,0,1,0,1,0|2,0,0]=4 7556 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,0,1,0,1,0|2,0,0]=4 7557 B11R1.29 CSCNC(C)c1cccs1 2230a_100000703493_100011218213 [0,0,1,0,1,0|2,0,0]=4 7558 B11R1.29 CSCNC(C)c1ccoc1 2230a_100000690049_100011218213 [0,0,1,0,1,0|2,0,0]=4 7559 B11R1.29 CSCNC(C)c1ccsc1 2230a_100000748604_100011218213 [0,0,1,0,1,0|2,0,0]=4 7560 B11R1.29 CSCNC(C)c1nccs1 2230a_100000725601_100011218213 [0,0,1,0,1,0|2,0,0]=4 7561 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,0,1,0,1,0|2,0,0]=4 7562 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [0,0,1,0,1,0|2,0,0]=4 7563 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [0,0,1,0,1,0|2,0,0]=4 7564 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [0,0,0,0,2,0|2,0,0]=4 7565 B11R2.239 c1cnnc(c1)N2CCC2 27a_100000754969_100016991348 [0,0,0,0,2,0|2,0,0]=4 7566 B13R1.79 CCCC(CC)Nc1cccnn1 27a_100000747048_100016991348 [0,0,1,0,0,1|2,0,0]=4 7567 B13R1.79 CCCC(CC)Nc1cnccn1 27a_100000747048_100000211759 [0,0,1,0,0,1|2,0,0]=4 7568 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,0,1,0,0,1|2,0,0]=4 7569 B13R1.79 CCCC(CC)Oc1cccnc1 7a_100000210849_100011219200 [0,0,1,0,0,1|1,0,0]=3 7570 B13R1.79 CCCC(CC)Oc1cncnc1 7a_100000754086_100011219200 [0,0,1,0,0,1|2,0,0]=4 7571 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,0,1,0,0,1|2,0,0]=4 7572 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,0,1,0,0,1|2,0,0]=4 7573 B13R1.79 CCCC(CC)Sc1cccnc1 62a_100000210063_100011219200 [0,0,1,0,0,1|1,0,0]=3 7574 B13R1.79 CCCC(CC)Sc1cccnc1 62a_100011219200_100000210063 [0,0,1,0,0,1|1,0,0]=3 7575 B13R1.79 CCCC(CC)Sc1cccnn1 62a_100011219200_100016991348 [0,0,1,0,0,1|2,0,0]=4 7576 B13R1.79 CCCC(CC)Sc1cccnn1 62a_100016991348_100011219200 [0,0,1,0,0,1|2,0,0]=4 7577 B13R1.79 CCCC(CC)Sc1ccnnc1 62a_100000732662_100011219200 [0,0,1,0,0,1|2,0,0]=4 7578 B13R1.79 CCCC(CC)Sc1ccnnc1 62a_100011219200_100000732662 [0,0,1,0,0,1|2,0,0]=4 7579 B13R1.79 CCCC(CC)Sc1cnccn1 62a_100000211759_100011219200 [0,0,1,0,0,1|2,0,0]=4 7580 B13R1.79 CCCC(CC)Sc1cnccn1 62a_100011219200_100000211759 [0,0,1,0,0,1|2,0,0]=4 7581 B13R1.79 CCCC(CC)Sc1cncnc1 62a_100011206942_100011219200 [0,0,1,0,0,1|2,0,0]=4 7582 B13R1.79 CCCC(CC)Sc1cncnc1 62a_100011219200_100011206942 [0,0,1,0,0,1|2,0,0]=4 7583 B13R1.79 CCCN(CC)Cc1cccnc1 2230a_100000186920_100000210303 [0,0,1,0,0,1|2,0,0]=4 7584 B13R1.79 CCCN(CC)Cc1cccnc1 2230a_100000226822_100000741622 [0,0,1,0,0,1|2,0,0]=4 7585 B13R1.79 CCCN(CC)Cc1cccnc1 2230a_100160553015_100000210202 [0,0,1,0,0,1|2,0,0]=4 7586 B13R1.79 CCCN(CC)Cc1cccnc1 269982a_100000186920_100000210303 [0,0,1,0,0,1|2,0,0]=4 7587 B13R1.79 CCCN(CC)Cc1cccnc1 269982a_100000226822_100000733263 [0,0,1,0,0,1|2,0,0]=4 7588 B13R1.79 CCCN(CC)Cc1cccnc1 269982a_100160553015_100000204670 [0,0,1,0,0,1|2,0,0]=4 7589 B13R1.79 CCCN(CC)Cc1cccnc1 270004a_100000226822_100000209961 [0,0,1,0,0,1|2,0,0]=4 7590 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,0,1,0,0,1|1,0,0]=3 7591 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,0,1,0,0,1|2,0,0]=4 7592 B13R1.79 CCNC(CO)Cc1cccnc1 2230a_100000717814_100000210202 [0,0,1,0,0,1|1,0,0]=3 7593 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,0,1,0,0,1|2,0,0]=4 7594 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,0,1,0,0,1|2,0,0]=4 7595 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,0,1,0,0,1|2,0,0]=4 7596 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,0,1,0,0,1|2,0,0]=4 7597 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,0,1,0,0,1|2,0,0]=4 7598 B15R2.2167 c1cc(cnn1)OC2CCCCCC2 34a_100015204005_100011217769 [0,0,0,0,0,2|2,0,0]=4 7599 B15R2.2167 c1cc(cnn1)SC2CCCCCC2 62a_100000732662_100011217769 [0,0,0,0,0,2|2,0,0]=4 7600 B15R2.2167 c1cc(cnn1)SC2CCCCCC2 62a_100011217769_100000732662 [0,0,0,0,0,2|2,0,0]=4 7601 B15R2.2167 c1ccc(cc1)NC2CCCCCC2 34a_100000106764_100011217769 [0,0,0,0,0,2|2,0,0]=4 7602 B15R2.2167 c1ccc(cc1)OC2CCCCCC2 34a_100000210340_100011217769 [0,0,0,0,0,2|2,0,0]=4 7603 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100000719477_100011217769 [0,0,0,0,0,2|2,0,0]=4 7604 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100011217769_100000041952 [0,0,0,0,0,2|2,0,0]=4 7605 B15R2.2167 c1cnc(cn1)NC2CCCCCC2 27a_100000210984_100000211759 [0,0,0,0,0,2|2,0,0]=4 7606 B15R2.2167 c1cnc(cn1)SC2CCCCCC2 62a_100000211759_100011217769 [0,0,0,0,0,2|2,0,0]=4 7607 B15R2.2167 c1cnc(cn1)SC2CCCCCC2 62a_100011217769_100000211759 [0,0,0,0,0,2|2,0,0]=4 7608 B15R2.2167 c1cncc(c1)CN2CCCCCC2 2230a_100000185865_100000741622 [0,0,0,0,0,2|2,0,0]=4 7609 B15R2.2167 c1cncc(c1)CN2CCCCCC2 269982a_100000185865_100000733263 [0,0,0,0,0,2|2,0,0]=4 7610 B15R2.2167 c1cncc(c1)CN2CCCCCC2 270004a_100000185865_100000209961 [0,0,0,0,0,2|2,0,0]=4 7611 B15R2.2167 c1cncc(c1)CN2CCCCCC2 34a_100000185865_100000733263 [0,0,0,0,0,2|2,0,0]=4 7612 B15R2.2167 c1cncc(c1)CN2CCCOCC2 2230a_100000685342_100000741622 [0,0,0,0,0,2|2,0,0]=4 7613 B15R2.2167 c1cncc(c1)CN2CCCOCC2 269982a_100000685342_100000733263 [0,0,0,0,0,2|2,0,0]=4 7614 B15R2.2167 c1cncc(c1)CN2CCCOCC2 270004a_100000685342_100000209961 [0,0,0,0,0,2|2,0,0]=4 7615 B15R2.2167 c1cncc(c1)CN2CCCOCC2 34a_100000685342_100000733263 [0,0,0,0,0,2|2,0,0]=4 7616 B15R2.2167 c1cncc(c1)OC2CCCCCC2 34a_100000210849_100011217769 [0,0,0,0,0,2|1,0,0]=3 7617 B15R2.2167 c1cncc(c1)SC2CCCCCC2 62a_100000210063_100011217769 [0,0,0,0,0,2|1,0,0]=3 7618 B15R2.2167 c1cncc(c1)SC2CCCCCC2 62a_100011217769_100000210063 [0,0,0,0,0,2|1,0,0]=3 7619 B15R2.2167 c1cnnc(c1)NC2CCCCCC2 27a_100000210984_100016991348 [0,0,0,0,0,2|2,0,0]=4 7620 B15R2.2167 c1cnnc(c1)SC2CCCCCC2 62a_100011217769_100016991348 [0,0,0,0,0,2|2,0,0]=4 7621 B15R2.2167 c1cnnc(c1)SC2CCCCCC2 62a_100016991348_100011217769 [0,0,0,0,0,2|2,0,0]=4 7622 B15R2.2167 c1ncc(cn1)SC2CCCCCC2 62a_100011206942_100011217769 [0,0,0,0,0,2|2,0,0]=4 7623 B15R2.2167 c1ncc(cn1)SC2CCCCCC2 62a_100011217769_100011206942 [0,0,0,0,0,2|2,0,0]=4 7624 B15R2.2195 C(=CC1CCCCC1)c2ccccc2 271570a_100016283615_100000210277 [0,0,0,0,0,2|2,0,0]=4 7625 B15R2.2195 C(=CC1CCCCC1)c2cccnc2 271570a_100016283615_100000752921 [0,0,0,0,0,2|1,0,0]=3 7626 B15R2.2195 C(=CC1CCCCC1)c2cccnn2 271570a_100016283615_100016991348 [0,0,0,0,0,2|2,0,0]=4 7627 B15R2.2195 C(=CC1CCCCC1)c2ccnnc2 271570a_100016283615_100000732662 [0,0,0,0,0,2|2,0,0]=4 7628 B15R2.2195 C(=CC1CCCCC1)c2cnccn2 271570a_100016283615_100000758340 [0,0,0,0,0,2|2,0,0]=4 7629 B15R2.2195 C(=CC1CCCCC1)c2cncnc2 271570a_100016283615_100011206942 [0,0,0,0,0,2|2,0,0]=4 7630 B15R2.2195 C(=Cc1cccnc1)C2=CCCCC2 271570a_100000069214_100000752921 [0,0,0,0,0,2|1,0,1]=4 7631 B15R2.2195 C1=CC(CCC1)OCc2cccnc2 34a_100011215024_100000733263 [0,0,0,0,0,2|1,0,1]=4 7632 B15R2.2195 C1=CC(CCC1)SCc2cccnc2 62a_100000741622_100000751183 [0,0,0,0,0,2|1,0,1]=4 7633 B15R2.2195 C1=CC(CCC1)SCc2cccnc2 62a_100000751183_100000741622 [0,0,0,0,0,2|1,0,1]=4 7634 B15R2.2195 c1cc(cnn1)CNC2CCCCC2 270004a_100000182618_100011934578 [0,0,0,0,0,2|2,0,0]=4 7635 B15R2.2195 c1cc(cnn1)OCC2CCCCC2 34a_100015204005_100000211423 [0,0,0,0,0,2|2,0,0]=4 7636 B15R2.2195 c1cc(cnn1)OCC2CCCCO2 34a_100015204005_100000211543 [0,0,0,0,0,2|2,0,0]=4 7637 B15R2.2195 c1cc(cnn1)SCC2CCCCC2 62a_100000211423_100000732662 [0,0,0,0,0,2|2,0,0]=4 7638 B15R2.2195 c1cc(cnn1)SCC2CCCCC2 62a_100000732662_100000211423 [0,0,0,0,0,2|2,0,0]=4 7639 B15R2.2195 c1cc(cnn1)SCC2CCCCO2 62a_100000211543_100000732662 [0,0,0,0,0,2|2,0,0]=4 7640 B15R2.2195 c1cc(cnn1)SCC2CCCCO2 62a_100000732662_100000211543 [0,0,0,0,0,2|2,0,0]=4 7641 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 207a_100000182618_100015611070 [0,0,0,0,0,2|2,0,0]=4 7642 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 2230a_100000182618_100015291786 [0,0,0,0,0,2|2,0,0]=4 7643 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 270004a_100000182618_100015611070 [0,0,0,0,0,2|2,0,0]=4 7644 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 270004a_100015324214_100000210434 [0,0,0,0,0,2|2,0,0]=4 7645 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 34a_100000182618_100015291786 [0,0,0,0,0,2|2,0,0]=4 7646 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 34a_100015324214_100000210327 [0,0,0,0,0,2|2,0,0]=4 7647 B15R2.2195 c1ccc(cc1)COC2CCCCC2 34a_100000210231_100015291786 [0,0,0,0,0,2|2,0,0]=4 7648 B15R2.2195 c1ccc(cc1)COC2CCCCC2 34a_100000210790_100000210327 [0,0,0,0,0,2|2,0,0]=4 7649 B15R2.2195 c1ccc(cc1)COC2CCCCC2 7a_100000210231_100000211182 [0,0,0,0,0,2|2,0,0]=4 7650 B15R2.2195 c1ccc(cc1)COC2CCCCC2 7a_100000210790_100000210327 [0,0,0,0,0,2|2,0,0]=4 7651 B15R2.2195 c1ccc(cc1)COC2CCCCO2 34a_100000033831_100015291786 [0,0,0,0,0,2|2,0,0]=4 7652 B15R2.2195 c1ccc(cc1)CSC2CCCCC2 62a_100000210327_100015291786 [0,0,0,0,0,2|2,0,0]=4 7653 B15R2.2195 c1ccc(cc1)CSC2CCCCC2 62a_100000211182_100000210327 [0,0,0,0,0,2|2,0,0]=4 7654 B15R2.2195 c1ccc(cc1)NCC2CCCCC2 34a_100000106764_100000211423 [0,0,0,0,0,2|2,0,0]=4 7655 B15R2.2195 c1ccc(cc1)NCC2CCCCO2 34a_100000106764_100000211543 [0,0,0,0,0,2|2,0,0]=4 7656 B15R2.2195 c1ccc(cc1)OCC2CCCCC2 34a_100000210340_100000211423 [0,0,0,0,0,2|2,0,0]=4 7657 B15R2.2195 c1ccc(cc1)OCC2CCCCC2 7a_100000210340_100000211423 [0,0,0,0,0,2|2,0,0]=4 7658 B15R2.2195 c1ccc(cc1)OCC2CCCCO2 34a_100000210340_100000211543 [0,0,0,0,0,2|2,0,0]=4 7659 B15R2.2195 c1ccc(cc1)OCC2CCCCO2 7a_100000210340_100000211543 [0,0,0,0,0,2|2,0,0]=4 7660 B15R2.2195 c1ccc(cc1)SCC2CCCCC2 62a_100000211423_100000041952 [0,0,0,0,0,2|2,0,0]=4 7661 B15R2.2195 c1ccc(cc1)SCC2CCCCC2 62a_100000719477_100000211423 [0,0,0,0,0,2|2,0,0]=4 7662 B15R2.2195 c1ccc(cc1)SCC2CCCCO2 62a_100000211543_100000041952 [0,0,0,0,0,2|2,0,0]=4 7663 B15R2.2195 c1ccc(cc1)SCC2CCCCO2 62a_100000719477_100000211543 [0,0,0,0,0,2|2,0,0]=4 7664 B15R2.2195 c1cnc(cn1)CNC2CCCCC2 2230a_100000182618_100016995436 [0,0,0,0,0,2|2,0,0]=4 7665 B15R2.2195 c1cnc(cn1)CNC2CCCCC2 270004a_100000182618_100000749867 [0,0,0,0,0,2|2,0,0]=4 7666 B15R2.2195 c1cnc(cn1)CNC2CCCCC2 34a_100000182618_100016995436 [0,0,0,0,0,2|2,0,0]=4 7667 B15R2.2195 c1cnc(cn1)COC2CCCCC2 34a_100000210231_100016995436 [0,0,0,0,0,2|2,0,0]=4 7668 B15R2.2195 c1cnc(cn1)COC2CCCCC2 7a_100000210231_100016995436 [0,0,0,0,0,2|2,0,0]=4 7669 B15R2.2195 c1cnc(cn1)COC2CCCCO2 34a_100000033831_100016995436 [0,0,0,0,0,2|2,0,0]=4 7670 B15R2.2195 c1cnc(cn1)CSC2CCCCC2 62a_100000210327_100016995436 [0,0,0,0,0,2|2,0,0]=4 7671 B15R2.2195 c1cnc(cn1)CSC2CCCCC2 62a_100016995436_100000210327 [0,0,0,0,0,2|2,0,0]=4 7672 B15R2.2195 c1cnc(cn1)NCC2CCCCC2 27a_100000210473_100000211759 [0,0,0,0,0,2|2,0,0]=4 7673 B15R2.2195 c1cnc(cn1)NCC2CCCCO2 27a_100000174945_100000211759 [0,0,0,0,0,2|2,0,0]=4 7674 B15R2.2195 c1cnc(cn1)SCC2CCCCC2 62a_100000211423_100000211759 [0,0,0,0,0,2|2,0,0]=4 7675 B15R2.2195 c1cnc(cn1)SCC2CCCCC2 62a_100000211759_100000211423 [0,0,0,0,0,2|2,0,0]=4 7676 B15R2.2195 c1cnc(cn1)SCC2CCCCO2 62a_100000211543_100000211759 [0,0,0,0,0,2|2,0,0]=4 7677 B15R2.2195 c1cnc(cn1)SCC2CCCCO2 62a_100000211759_100000211543 [0,0,0,0,0,2|2,0,0]=4 7678 B15R2.2195 c1cncc(c1)CNC2CCCCC2 207a_100000182618_100000209961 [0,0,0,0,0,2|1,0,0]=3 7679 B15R2.2195 c1cncc(c1)CNC2CCCCC2 2230a_100000182618_100000741622 [0,0,0,0,0,2|1,0,0]=3 7680 B15R2.2195 c1cncc(c1)CNC2CCCCC2 270004a_100000182618_100000209961 [0,0,0,0,0,2|1,0,0]=3 7681 B15R2.2195 c1cncc(c1)CNC2CCCCC2 270004a_100000210453_100000210434 [0,0,0,0,0,2|1,0,0]=3 7682 B15R2.2195 c1cncc(c1)CNC2CCCCC2 34a_100000182618_100000733263 [0,0,0,0,0,2|1,0,0]=3 7683 B15R2.2195 c1cncc(c1)CNC2CCCOC2 207a_100000719290_100000209961 [0,0,0,0,0,2|2,0,0]=4 7684 B15R2.2195 c1cncc(c1)CNC2CCCOC2 2230a_100000719290_100000741622 [0,0,0,0,0,2|2,0,0]=4 7685 B15R2.2195 c1cncc(c1)CNC2CCCOC2 270004a_100000210453_100000753404 [0,0,0,0,0,2|2,0,0]=4 7686 B15R2.2195 c1cncc(c1)CNC2CCCOC2 270004a_100000719290_100000209961 [0,0,0,0,0,2|2,0,0]=4 7687 B15R2.2195 c1cncc(c1)CNC2CCCOC2 34a_100000719290_100000733263 [0,0,0,0,0,2|2,0,0]=4 7688 B15R2.2195 c1cncc(c1)CNC2CCCSC2 270004a_100000210453_100000057913 [0,0,0,0,0,2|2,0,0]=4 7689 B15R2.2195 c1cncc(c1)CNC2CCNCC2 270004a_100000210453_100015192401 [0,0,0,0,0,2|2,0,0]=4 7690 B15R2.2195 c1cncc(c1)CNC2CCOCC2 207a_100000741149_100000209961 [0,0,0,0,0,2|2,0,0]=4 7691 B15R2.2195 c1cncc(c1)CNC2CCOCC2 2230a_100000741149_100000741622 [0,0,0,0,0,2|2,0,0]=4 7692 B15R2.2195 c1cncc(c1)CNC2CCOCC2 270004a_100000210453_100011217826 [0,0,0,0,0,2|2,0,0]=4 7693 B15R2.2195 c1cncc(c1)CNC2CCOCC2 270004a_100000741149_100000209961 [0,0,0,0,0,2|2,0,0]=4 7694 B15R2.2195 c1cncc(c1)CNC2CCOCC2 34a_100000741149_100000733263 [0,0,0,0,0,2|2,0,0]=4 7695 B15R2.2195 c1cncc(c1)CNC2CCSCC2 207a_100000748639_100000209961 [0,0,0,0,0,2|2,0,0]=4 7696 B15R2.2195 c1cncc(c1)CNC2CCSCC2 2230a_100000748639_100000741622 [0,0,0,0,0,2|2,0,0]=4 7697 B15R2.2195 c1cncc(c1)CNC2CCSCC2 270004a_100000210453_100000203788 [0,0,0,0,0,2|2,0,0]=4 7698 B15R2.2195 c1cncc(c1)CNC2CCSCC2 270004a_100000748639_100000209961 [0,0,0,0,0,2|2,0,0]=4 7699 B15R2.2195 c1cncc(c1)CNC2CCSCC2 34a_100000748639_100000733263 [0,0,0,0,0,2|2,0,0]=4 7700 B15R2.2195 c1cncc(c1)COC2CCCCC2 34a_100000210231_100000733263 [0,0,0,0,0,2|1,0,0]=3 7701 B15R2.2195 c1cncc(c1)COC2CCCCC2 7a_100000210231_100000741622 [0,0,0,0,0,2|1,0,0]=3 7702 B15R2.2195 c1cncc(c1)COC2CCCCO2 34a_100000033831_100000733263 [0,0,0,0,0,2|1,0,0]=3 7703 B15R2.2195 c1cncc(c1)COC2CCCOC2 34a_100000754041_100000733263 [0,0,0,0,0,2|2,0,0]=4 7704 B15R2.2195 c1cncc(c1)COC2CCCSC2 7a_100015962668_100000741622 [0,0,0,0,0,2|2,0,0]=4 7705 B15R2.2195 c1cncc(c1)COC2CCOCC2 34a_100000744328_100000733263 [0,0,0,0,0,2|2,0,0]=4 7706 B15R2.2195 c1cncc(c1)COC2CCSCC2 34a_100000731022_100000733263 [0,0,0,0,0,2|2,0,0]=4 7707 B15R2.2195 c1cncc(c1)COC2CCSCC2 7a_100000731022_100000741622 [0,0,0,0,0,2|2,0,0]=4 7708 B15R2.2195 c1cncc(c1)CSC2CCCCC2 62a_100000210327_100000741622 [0,0,0,0,0,2|1,0,0]=3 7709 B15R2.2195 c1cncc(c1)CSC2CCCCC2 62a_100000741622_100000210327 [0,0,0,0,0,2|1,0,0]=3 7710 B15R2.2195 c1cncc(c1)CSC2CCCOC2 62a_100000741622_100000693364 [0,0,0,0,0,2|2,0,0]=4 7711 B15R2.2195 c1cncc(c1)CSC2CCOCC2 62a_100000741622_100011324220 [0,0,0,0,0,2|2,0,0]=4 7712 B15R2.2195 c1cncc(c1)CSC2CCSCC2 62a_100000741622_100000069128 [0,0,0,0,0,2|2,0,0]=4 7713 B15R2.2195 c1cncc(c1)NN=C2CCCCC2 4a_100000728903_100000210434 [0,0,0,0,0,2|1,0,1]=4 7714 B15R2.2195 c1cncc(c1)OCC2CCCCC2 34a_100000210849_100000211423 [0,0,0,0,0,2|1,0,0]=3 7715 B15R2.2195 c1cncc(c1)OCC2CCCCC2 7a_100000210849_100000211423 [0,0,0,0,0,2|1,0,0]=3 7716 B15R2.2195 c1cncc(c1)OCC2CCCCO2 34a_100000210849_100000211543 [0,0,0,0,0,2|1,0,0]=3 7717 B15R2.2195 c1cncc(c1)OCC2CCCCO2 7a_100000210849_100000211543 [0,0,0,0,0,2|1,0,0]=3 7718 B15R2.2195 c1cncc(c1)OCC2CCCOC2 34a_100000210849_100000741521 [0,0,0,0,0,2|2,0,0]=4 7719 B15R2.2195 c1cncc(c1)OCC2CCCOC2 7a_100000210849_100000741521 [0,0,0,0,0,2|2,0,0]=4 7720 B15R2.2195 c1cncc(c1)OCC2CCOCC2 34a_100000210849_100000754603 [0,0,0,0,0,2|2,0,0]=4 7721 B15R2.2195 c1cncc(c1)OCC2CCOCC2 7a_100000210849_100000754603 [0,0,0,0,0,2|2,0,0]=4 7722 B15R2.2195 c1cncc(c1)SCC2CCCCC2 62a_100000210063_100000211423 [0,0,0,0,0,2|1,0,0]=3 7723 B15R2.2195 c1cncc(c1)SCC2CCCCC2 62a_100000211423_100000210063 [0,0,0,0,0,2|1,0,0]=3 7724 B15R2.2195 c1cncc(c1)SCC2CCCCO2 62a_100000210063_100000211543 [0,0,0,0,0,2|1,0,0]=3 7725 B15R2.2195 c1cncc(c1)SCC2CCCCO2 62a_100000211543_100000210063 [0,0,0,0,0,2|1,0,0]=3 7726 B15R2.2195 c1cncc(c1)SCC2CCCOC2 62a_100000210063_100000741521 [0,0,0,0,0,2|2,0,0]=4 7727 B15R2.2195 c1cncc(c1)SCC2CCCOC2 62a_100000741521_100000210063 [0,0,0,0,0,2|2,0,0]=4 7728 B15R2.2195 c1cncc(c1)SCC2CCOCC2 62a_100000210063_100000749018 [0,0,0,0,0,2|2,0,0]=4 7729 B15R2.2195 c1cncc(c1)SCC2CCOCC2 62a_100000754603_100000210063 [0,0,0,0,0,2|2,0,0]=4 7730 B15R2.2195 c1cnnc(c1)CNC2CCCCC2 2230a_100000182618_100016990269 [0,0,0,0,0,2|2,0,0]=4 7731 B15R2.2195 c1cnnc(c1)CNC2CCCCC2 34a_100000182618_100016990269 [0,0,0,0,0,2|2,0,0]=4 7732 B15R2.2195 c1cnnc(c1)COC2CCCCC2 34a_100000210231_100016990269 [0,0,0,0,0,2|2,0,0]=4 7733 B15R2.2195 c1cnnc(c1)COC2CCCCC2 7a_100000210231_100016990269 [0,0,0,0,0,2|2,0,0]=4 7734 B15R2.2195 c1cnnc(c1)COC2CCCCO2 34a_100000033831_100016990269 [0,0,0,0,0,2|2,0,0]=4 7735 B15R2.2195 c1cnnc(c1)CSC2CCCCC2 62a_100000210327_100016990269 [0,0,0,0,0,2|2,0,0]=4 7736 B15R2.2195 c1cnnc(c1)CSC2CCCCC2 62a_100016990269_100000210327 [0,0,0,0,0,2|2,0,0]=4 7737 B15R2.2195 c1cnnc(c1)NCC2CCCCC2 27a_100000210473_100016991348 [0,0,0,0,0,2|2,0,0]=4 7738 B15R2.2195 c1cnnc(c1)NCC2CCCCO2 27a_100000174945_100016991348 [0,0,0,0,0,2|2,0,0]=4 7739 B15R2.2195 c1cnnc(c1)SCC2CCCCC2 62a_100000211423_100016991348 [0,0,0,0,0,2|2,0,0]=4 7740 B15R2.2195 c1cnnc(c1)SCC2CCCCC2 62a_100016991348_100000211423 [0,0,0,0,0,2|2,0,0]=4 7741 B15R2.2195 c1cnnc(c1)SCC2CCCCO2 62a_100000211543_100016991348 [0,0,0,0,0,2|2,0,0]=4 7742 B15R2.2195 c1cnnc(c1)SCC2CCCCO2 62a_100016991348_100000211543 [0,0,0,0,0,2|2,0,0]=4 7743 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 2230a_100000182618_100015196519 [0,0,0,0,0,2|2,0,0]=4 7744 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 270004a_100000182618_100000749868 [0,0,0,0,0,2|2,0,0]=4 7745 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 270004a_100011243677_100000210434 [0,0,0,0,0,2|2,0,0]=4 7746 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 34a_100000182618_100015196519 [0,0,0,0,0,2|2,0,0]=4 7747 B15R2.2195 c1ncc(cn1)COC2CCCCC2 34a_100000210231_100015196519 [0,0,0,0,0,2|2,0,0]=4 7748 B15R2.2195 c1ncc(cn1)COC2CCCCC2 7a_100000210231_100015196519 [0,0,0,0,0,2|2,0,0]=4 7749 B15R2.2195 c1ncc(cn1)COC2CCCCO2 34a_100000033831_100015196519 [0,0,0,0,0,2|2,0,0]=4 7750 B15R2.2195 c1ncc(cn1)CSC2CCCCC2 62a_100000210327_100015196519 [0,0,0,0,0,2|2,0,0]=4 7751 B15R2.2195 c1ncc(cn1)CSC2CCCCC2 62a_100015196519_100000210327 [0,0,0,0,0,2|2,0,0]=4 7752 B15R2.2195 c1ncc(cn1)OCC2CCCCC2 7a_100000754086_100000211423 [0,0,0,0,0,2|2,0,0]=4 7753 B15R2.2195 c1ncc(cn1)OCC2CCCCO2 7a_100000754086_100000211543 [0,0,0,0,0,2|2,0,0]=4 7754 B15R2.2195 c1ncc(cn1)SCC2CCCCC2 62a_100000211423_100011206942 [0,0,0,0,0,2|2,0,0]=4 7755 B15R2.2195 c1ncc(cn1)SCC2CCCCC2 62a_100011206942_100000211423 [0,0,0,0,0,2|2,0,0]=4 7756 B15R2.2195 c1ncc(cn1)SCC2CCCCO2 62a_100000211543_100011206942 [0,0,0,0,0,2|2,0,0]=4 7757 B15R2.2195 c1ncc(cn1)SCC2CCCCO2 62a_100011206942_100000211543 [0,0,0,0,0,2|2,0,0]=4