0 B15R2.1342 C#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B15R2.1342 C=CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210623 [0,0,0,0,0,0|2,0,2]=4 2 B15R2.1342 CCCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000210303 [0,0,0,0,0,0|3,0,0]=3 3 B15R2.1342 CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210303 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.1342 CCNC(=O)C1CC1c2cccnc2 11a_100015525214_100000746292 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.1342 CCNC(=O)C1CC1c2cccnc2 240690a_100015525214_100000746292 [0,0,0,0,0,0|3,0,0]=3 6 B15R2.1342 CCNC(=O)C1CC1c2cccnc2 527a_100015525214_100000746292 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100015525214_100009815801 [0,0,0,0,0,0|2,0,0]=2 8 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100015525214_100009815801 [0,0,0,0,0,0|2,0,0]=2 9 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100015525214_100009815801 [0,0,0,0,0,0|2,0,0]=2 10 B15R2.1342 CCOC(=O)C1CC1c2ccccc2 271570a_100010780539_100000210277 [0,0,0,0,0,0|1,0,0]=1 11 B15R2.1342 CCOC(=O)C1CC1c2ccccn2 271570a_100010780539_100011216584 [0,0,0,0,0,0|2,0,0]=2 12 B15R2.1342 CCOC(=O)C1CC1c2cccnc2 271570a_100010780539_100000752921 [0,0,0,0,0,0|2,0,0]=2 13 B15R2.1342 CCOC(=O)C1CC1c2cccnn2 271570a_100010780539_100016991348 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.1342 CCOC(=O)C1CC1c2ccncc2 271570a_100010780539_100000035832 [0,0,0,0,0,0|2,0,0]=2 15 B15R2.1342 CCOC(=O)C1CC1c2ccncn2 271570a_100010780539_100000703185 [0,0,0,0,0,0|3,0,0]=3 16 B15R2.1342 CCOC(=O)C1CC1c2ccnnc2 271570a_100010780539_100000732662 [0,0,0,0,0,0|3,0,0]=3 17 B15R2.1342 CCOC(=O)C1CC1c2cnccn2 271570a_100010780539_100000758340 [0,0,0,0,0,0|3,0,0]=3 18 B15R2.1342 CCOC(=O)C1CC1c2cncnc2 271570a_100010780539_100011206942 [0,0,0,0,0,0|3,0,0]=3 19 B15R2.1342 CCOC(=O)C1CC1c2cnnnc2 271570a_100010780539_100009846058 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.1342 CCOC(=O)C1CC1c2ncccn2 271570a_100010780539_100000211032 [0,0,0,0,0,0|3,0,0]=3 21 B15R2.1342 CNNC(=O)C1CC1c2cccnc2 22a_100016993582_100000746292 [0,0,0,0,0,0|4,0,0]=4 22 B15R2.1342 CNNC(=O)[C@@H]1C[C@H]1c2ccccc2 22a_100016993582_100009815801 [0,0,0,0,0,0|3,0,0]=3 23 B15R2.1342 N#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011214920 [0,0,0,0,0,0|3,0,1]=4 24 B15R2.1342 O=C(CCF)C1CC1c2cccnc2 1458a_100000746292_100011217306 [0,0,0,0,0,0|4,0,0]=4 25 B15R2.1342 O=C(CCF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011217306 [0,0,0,0,0,0|3,0,0]=3 26 B15R2.1342 O=C(CCO)C1CC1c2cccnc2 1458a_100000746292_100000211926 [0,0,0,0,0,0|4,0,0]=4 27 B15R2.1342 O=C(CCO)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000211926 [0,0,0,0,0,0|3,0,0]=3 28 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210303 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210303 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.66 CCOCC1CC1c2ccccc2 34a_100011997005_100000210202 [1,0,0,0,0,0|1,0,1]=3 31 B14R2.66 CCOCC1CC1c2ccccc2 7a_100011997005_100000210202 [1,0,0,0,0,0|1,0,1]=3 32 B14R2.66 CCOCC1OC1c2ccccc2 34a_100000032844_100000210202 [1,0,0,0,0,0|0,0,1]=2 33 B14R2.66 CCOCC1OC1c2ccccc2 7a_100000032844_100000210202 [1,0,0,0,0,0|0,0,1]=2 34 B14R2.66 FCOCC1CC1c2ccccc2 34a_100011997005_100015361967 [1,0,0,0,0,0|2,0,1]=4 35 B14R2.66 FCOCC1CC1c2ccccc2 7a_100011997005_100015361967 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.66 FCOCC1OC1c2ccccc2 34a_100000032844_100015361967 [1,0,0,0,0,0|1,0,1]=3 37 B14R2.66 FCOCC1OC1c2ccccc2 7a_100000032844_100015361967 [1,0,0,0,0,0|1,0,1]=3 38 B14R2.958 CCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000210202 [1,0,0,0,0,0|2,0,0]=3 39 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [1,0,0,0,0,0|1,0,0]=2 40 B14R2.958 CNC(=O)C1CC1c2cccnc2 11a_106832991635_100000746292 [1,0,0,0,0,0|3,0,0]=4 41 B14R2.958 CNC(=O)C1CC1c2cccnc2 1626a_100102657272_100000746292 [1,0,0,0,0,0|3,0,0]=4 42 B14R2.958 CNC(=O)C1CC1c2cccnc2 240690a_100102657272_100000746292 [1,0,0,0,0,0|3,0,0]=4 43 B14R2.958 CNC(=O)C1CC1c2cccnc2 527a_100102657272_100000746292 [1,0,0,0,0,0|3,0,0]=4 44 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_106832991635_100009815801 [1,0,0,0,0,0|2,0,0]=3 45 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102657272_100009815801 [1,0,0,0,0,0|2,0,0]=3 46 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102657272_100009815801 [1,0,0,0,0,0|2,0,0]=3 47 B14R2.958 O=C(CF)C1CC1c2cccnc2 1458a_100000746292_100015361967 [1,0,0,0,0,0|3,0,0]=4 48 B14R2.958 O=C(CF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100015361967 [1,0,0,0,0,0|2,0,0]=3 49 B16R2.723 CCCC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000210303 [0,1,0,0,0,0|2,0,0]=3 50 B16R2.723 CCCC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000210303 [0,1,0,0,0,0|2,0,0]=3 51 B16R2.723 CCCC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000210303 [0,1,0,0,0,0|2,0,0]=3 52 B16R2.723 CCNC(=O)C1CC1c2ccc(cc2)Cl 11a_100015525214_100000235803 [0,1,0,0,0,0|2,0,0]=3 53 B16R2.723 CCNC(=O)C1CC1c2ccc(cc2)Cl 527a_100015525214_100000235803 [0,1,0,0,0,0|2,0,0]=3 54 B16R2.723 CCNC(=O)C1CC1c2ccc(cc2)F 11a_100015525214_200015190327 [0,1,0,0,0,0|2,0,0]=3 55 B16R2.723 CCNC(=O)C1CC1c2ccc(cc2)F 240690a_100015525214_200015190327 [0,1,0,0,0,0|2,0,0]=3 56 B16R2.723 CCNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 11a_100015525214_100010113649 [0,1,0,0,0,0|2,0,0]=3 57 B16R2.723 CCOC(=O)C1CC1c2cc[n+](cc2)[O-] 271570a_100010780539_100000039755 [0,1,0,0,0,0|2,0,0]=3 58 B16R2.723 CCOC(=O)C1CC1c2ccc(=O)[nH]c2 271570a_100010780539_100000212171 [0,1,0,0,0,0|2,0,0]=3 59 B16R2.723 CCOC(=O)C1CC1c2ccc(=O)[nH]n2 271570a_100010780539_100009820020 [0,1,0,0,0,0|3,0,0]=4 60 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)Br 271570a_100010780539_100000752885 [0,1,0,0,0,0|1,0,0]=2 61 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)C 271570a_100010780539_100000186775 [0,1,0,0,0,0|1,0,0]=2 62 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)Cl 271570a_100010780539_100000755918 [0,1,0,0,0,0|1,0,0]=2 63 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)F 271570a_100010780539_100000211213 [0,1,0,0,0,0|1,0,0]=2 64 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)N 271570a_100010780539_100000185761 [0,1,0,0,0,0|1,0,0]=2 65 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)O 271570a_100010780539_100000185759 [0,1,0,0,0,0|1,0,0]=2 66 B16R2.723 CCOC(=O)C1CC1c2ccc(cn2)Br 271570a_100010780539_100000686858 [0,1,0,0,0,0|2,0,0]=3 67 B16R2.723 CCOC(=O)C1CC1c2ccc(cn2)C 271570a_100010780539_100000754016 [0,1,0,0,0,0|2,0,0]=3 68 B16R2.723 CCOC(=O)C1CC1c2ccc(cn2)Cl 271570a_100010780539_100011356976 [0,1,0,0,0,0|2,0,0]=3 69 B16R2.723 CCOC(=O)C1CC1c2ccc(cn2)F 271570a_100010780539_100000744514 [0,1,0,0,0,0|2,0,0]=3 70 B16R2.723 CCOC(=O)C1CC1c2ccc(cn2)N 271570a_100010780539_100000744251 [0,1,0,0,0,0|2,0,0]=3 71 B16R2.723 CCOC(=O)C1CC1c2ccc(cn2)O 271570a_100010780539_100000685995 [0,1,0,0,0,0|2,0,0]=3 72 B16R2.723 CCOC(=O)C1CC1c2ccc(nc2)Br 271570a_100010780539_100009814638 [0,1,0,0,0,0|2,0,0]=3 73 B16R2.723 CCOC(=O)C1CC1c2ccc(nc2)C 271570a_100010780539_100000751577 [0,1,0,0,0,0|2,0,0]=3 74 B16R2.723 CCOC(=O)C1CC1c2ccc(nc2)Cl 271570a_100010780539_100000034144 [0,1,0,0,0,0|2,0,0]=3 75 B16R2.723 CCOC(=O)C1CC1c2ccc(nc2)F 271570a_100010780539_100000748661 [0,1,0,0,0,0|2,0,0]=3 76 B16R2.723 CCOC(=O)C1CC1c2ccc(nc2)N 271570a_100010780539_100000187370 [0,1,0,0,0,0|2,0,0]=3 77 B16R2.723 CCOC(=O)C1CC1c2ccc(nn2)C 271570a_100010780539_100011450037 [0,1,0,0,0,0|3,0,0]=4 78 B16R2.723 CCOC(=O)C1CC1c2ccc(nn2)N 271570a_100010780539_100009816609 [0,1,0,0,0,0|3,0,0]=4 79 B16R2.723 CCOC(=O)C1CC1c2cnc(=O)[nH]c2 271570a_100010780539_102495366499 [0,1,0,0,0,0|3,0,0]=4 80 B16R2.723 CCOC(=O)C1CC1c2cnc(cn2)C 271570a_100010780539_100011999403 [0,1,0,0,0,0|3,0,0]=4 81 B16R2.723 CCOC(=O)C1CC1c2cnc(cn2)F 271570a_100010780539_100009856528 [0,1,0,0,0,0|3,0,0]=4 82 B16R2.723 CCOC(=O)C1CC1c2cnc(cn2)N 271570a_100010780539_100000761932 [0,1,0,0,0,0|3,0,0]=4 83 B16R2.723 CCOC(=O)C1CC1c2cnc(nc2)Br 271570a_100010780539_200012349914 [0,1,0,0,0,0|3,0,0]=4 84 B16R2.723 CCOC(=O)C1CC1c2cnc(nc2)C 271570a_100010780539_100000686985 [0,1,0,0,0,0|3,0,0]=4 85 B16R2.723 CCOC(=O)C1CC1c2cnc(nc2)F 271570a_100010780539_100000685262 [0,1,0,0,0,0|3,0,0]=4 86 B16R2.723 CCOC(=O)C1CC1c2cnc(nc2)N 271570a_100010780539_100000760574 [0,1,0,0,0,0|3,0,0]=4 87 B16R2.723 CCOC(=O)C1CC1c2ncc(cn2)Br 271570a_100010780539_100000690281 [0,1,0,0,0,0|3,0,0]=4 88 B16R2.723 CCOC(=O)C1CC1c2ncc(cn2)C 271570a_100010780539_100011825175 [0,1,0,0,0,0|3,0,0]=4 89 B16R2.723 CCOC(=O)C1CC1c2ncc(cn2)Cl 271570a_100010780539_100011356929 [0,1,0,0,0,0|3,0,0]=4 90 B16R2.723 CCOC(=O)C1CC1c2ncc(cn2)F 271570a_100010780539_100000685220 [0,1,0,0,0,0|3,0,0]=4 91 B16R2.723 CCOC(=O)C1CC1c2ncc(cn2)N 271570a_100010780539_100000068403 [0,1,0,0,0,0|3,0,0]=4 92 B16R2.723 CCOC(=O)C1CC1c2ncc(cn2)O 271570a_100010780539_100000730009 [0,1,0,0,0,0|3,0,0]=4 93 B16R2.723 CCOC(=O)[C@@H]1C[C@H]1c2ccc(nc2)O 271570a_203496583355_100020587616 [0,1,0,0,0,0|2,0,0]=3 94 B16R2.723 CNNC(=O)C1CC1c2ccc(cc2)Cl 22a_100016993582_100000235803 [0,1,0,0,0,0|3,0,0]=4 95 B16R2.723 CNNC(=O)C1CC1c2ccc(cc2)F 22a_100016993582_200015190327 [0,1,0,0,0,0|3,0,0]=4 96 B16R2.723 CNNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 22a_100016993582_100010113649 [0,1,0,0,0,0|3,0,0]=4 97 B16R2.723 O=C(CCF)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100011217306 [0,1,0,0,0,0|3,0,0]=4 98 B16R2.723 O=C(CCF)C1CC1c2ccc(cc2)F 1458a_200015190327_100011217306 [0,1,0,0,0,0|3,0,0]=4 99 B16R2.723 O=C(CCF)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100011217306 [0,1,0,0,0,0|3,0,0]=4 100 B16R2.723 O=C(CCO)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000211926 [0,1,0,0,0,0|3,0,0]=4 101 B16R2.723 O=C(CCO)C1CC1c2ccc(cc2)F 1458a_200015190327_100000211926 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.723 O=C(CCO)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000211926 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.2114 C#CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000753159 [0,1,0,0,0,0|2,0,1]=4 104 B16R2.2114 C#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000212058_100009815801 [0,1,0,0,0,0|2,0,1]=4 105 B16R2.2114 C#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000212058_100009815801 [0,1,0,0,0,0|2,0,1]=4 106 B16R2.2114 C#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000212058_100009815801 [0,1,0,0,0,0|2,0,1]=4 107 B16R2.2114 C/C=C/CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100102629194 [0,1,0,0,0,0|2,0,1]=4 108 B16R2.2114 C=CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000754431 [0,1,0,0,0,0|2,0,1]=4 109 B16R2.2114 C=CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100020586998_100009815801 [0,1,0,0,0,0|2,0,1]=4 110 B16R2.2114 C=CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100020586998_100009815801 [0,1,0,0,0,0|2,0,1]=4 111 B16R2.2114 CC#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000748600 [0,1,0,0,0,0|2,0,1]=4 112 B16R2.2114 CC=CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000070051 [0,1,0,0,0,0|2,0,1]=4 113 B16R2.2114 CCCCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000210211 [0,1,0,0,0,0|3,0,0]=4 114 B16R2.2114 CCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210211 [0,1,0,0,0,0|2,0,0]=3 115 B16R2.2114 CCCNC(=O)C1CC1c2cccnc2 11a_100020643023_100000746292 [0,1,0,0,0,0|3,0,0]=4 116 B16R2.2114 CCCNC(=O)C1CC1c2cccnc2 1626a_100020643023_100000746292 [0,1,0,0,0,0|3,0,0]=4 117 B16R2.2114 CCCNC(=O)C1CC1c2cccnc2 240690a_100020643023_100000746292 [0,1,0,0,0,0|3,0,0]=4 118 B16R2.2114 CCCNC(=O)C1CC1c2cccnc2 527a_100020643023_100000746292 [0,1,0,0,0,0|3,0,0]=4 119 B16R2.2114 CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100020643023_100009815801 [0,1,0,0,0,0|2,0,0]=3 120 B16R2.2114 CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100020643023_100009815801 [0,1,0,0,0,0|2,0,0]=3 121 B16R2.2114 CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100020643023_100009815801 [0,1,0,0,0,0|2,0,0]=3 122 B16R2.2114 CCNNC(=O)C1CC1c2cccnc2 22a_100000756455_100000746292 [0,1,0,0,0,0|3,0,0]=4 123 B16R2.2114 CCNNC(=O)[C@@H]1C[C@H]1c2ccccc2 22a_100000756455_100009815801 [0,1,0,0,0,0|2,0,0]=3 124 B16R2.2114 COCCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000233755 [0,1,0,0,0,0|3,0,0]=4 125 B16R2.2114 COCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000233755 [0,1,0,0,0,0|2,0,0]=3 126 B16R2.2114 CSCCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000751147 [0,1,0,0,0,0|3,0,0]=4 127 B16R2.2114 CSCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000751147 [0,1,0,0,0,0|2,0,0]=3 128 B16R2.2114 N#CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011215226 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.2114 N#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000734998_100009815801 [0,1,0,0,0,0|2,0,1]=4 130 B16R2.2114 O=C(CCCF)C1CC1c2cccnc2 1458a_100000746292_100011934791 [0,1,0,0,0,0|3,0,0]=4 131 B16R2.2114 O=C(CCCF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011934791 [0,1,0,0,0,0|2,0,0]=3 132 B16R2.2114 O=C(CCCO)C1CC1c2cccnc2 1458a_100000746292_100011215043 [0,1,0,0,0,0|3,0,0]=4 133 B16R2.2114 O=C(CCCO)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011215043 [0,1,0,0,0,0|2,0,0]=3 134 B16R2.2114 O=C(NCCF)C1CC1c2cccnc2 11a_100000724931_100000746292 [0,1,0,0,0,0|3,0,0]=4 135 B16R2.2114 O=C(NCCF)C1CC1c2cccnc2 1626a_100000724931_100000746292 [0,1,0,0,0,0|3,0,0]=4 136 B16R2.2114 O=C(NCCF)C1CC1c2cccnc2 240690a_100000724931_100000746292 [0,1,0,0,0,0|3,0,0]=4 137 B16R2.2114 O=C(NCCF)C1CC1c2cccnc2 527a_100000724931_100000746292 [0,1,0,0,0,0|3,0,0]=4 138 B16R2.2114 O=C(NCCF)[C@@H]1C[C@H]1c2ccccc2 11a_100000724931_100009815801 [0,1,0,0,0,0|2,0,0]=3 139 B16R2.2114 O=C(NCCF)[C@@H]1C[C@H]1c2ccccc2 240690a_100000724931_100009815801 [0,1,0,0,0,0|2,0,0]=3 140 B16R2.2114 O=C(NCCF)[C@@H]1C[C@H]1c2ccccc2 527a_100000724931_100009815801 [0,1,0,0,0,0|2,0,0]=3 141 B16R2.2114 O=C(NCCO)C1CC1c2cccnc2 240690a_100000210304_100000746292 [0,1,0,0,0,0|3,0,0]=4 142 B16R2.2114 O=C(NCCO)C1CC1c2cccnc2 527a_100000210304_100000746292 [0,1,0,0,0,0|3,0,0]=4 143 B16R2.2114 O=C(NCCO)[C@@H]1C[C@H]1c2ccccc2 240690a_100000210304_100009815801 [0,1,0,0,0,0|2,0,0]=3 144 B16R2.2114 O=C(NCCO)[C@@H]1C[C@H]1c2ccccc2 527a_100000210304_100009815801 [0,1,0,0,0,0|2,0,0]=3 145 B16R2.2175 CCC(C)C(=O)C1CC1c2cccnc2 1458a_100000746292_100000758301 [0,1,0,0,0,0|3,0,0]=4 146 B16R2.2175 CCC(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000758301 [0,1,0,0,0,0|2,0,0]=3 147 B16R2.2175 CCN(C)C(=O)C1CC1c2cccnc2 11a_100000225621_100000746292 [0,1,0,0,0,0|3,0,0]=4 148 B16R2.2175 CCN(C)C(=O)C1CC1c2cccnc2 1626a_100000225621_100000746292 [0,1,0,0,0,0|3,0,0]=4 149 B16R2.2175 CCN(C)C(=O)C1CC1c2cccnc2 240690a_100000225621_100000746292 [0,1,0,0,0,0|3,0,0]=4 150 B16R2.2175 CCN(C)C(=O)C1CC1c2cccnc2 527a_100000225621_100000746292 [0,1,0,0,0,0|3,0,0]=4 151 B16R2.2175 CCN(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000225621_100009815801 [0,1,0,0,0,0|2,0,0]=3 152 B16R2.2175 CCN(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000225621_100009815801 [0,1,0,0,0,0|2,0,0]=3 153 B16R2.2175 CCN(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000225621_100009815801 [0,1,0,0,0,0|2,0,0]=3 154 B16R2.11580 C=C(C)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000748629 [0,1,0,0,0,0|2,0,1]=4 155 B16R2.11580 CC(C)CC(=O)C1CC1c2cccnc2 1458a_100000746292_100000210624 [0,1,0,0,0,0|3,0,0]=4 156 B16R2.11580 CC(C)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210624 [0,1,0,0,0,0|2,0,0]=3 157 B16R2.11580 CC(C)NC(=O)C1CC1c2cccnc2 11a_100138425928_100000746292 [0,1,0,0,0,0|3,0,0]=4 158 B16R2.11580 CC(C)NC(=O)C1CC1c2cccnc2 1626a_100138425928_100000746292 [0,1,0,0,0,0|3,0,0]=4 159 B16R2.11580 CC(C)NC(=O)C1CC1c2cccnc2 240690a_100138425928_100000746292 [0,1,0,0,0,0|3,0,0]=4 160 B16R2.11580 CC(C)NC(=O)C1CC1c2cccnc2 527a_100138425928_100000746292 [0,1,0,0,0,0|3,0,0]=4 161 B16R2.11580 CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100138425928_100009815801 [0,1,0,0,0,0|2,0,0]=3 162 B16R2.11580 CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100138425928_100009815801 [0,1,0,0,0,0|2,0,0]=3 163 B16R2.11580 CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100138425928_100009815801 [0,1,0,0,0,0|2,0,0]=3 164 B16R2.11580 CC(O)CC(=O)C1CC1c2cccnc2 1458a_100000746292_100011218427 [0,1,0,0,0,0|3,0,0]=4 165 B16R2.11580 CC(O)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011218427 [0,1,0,0,0,0|2,0,0]=3 166 B16R2.11580 O=C(CC(F)F)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011934356 [0,1,0,0,0,0|3,0,0]=4 167 B16R2.28948 CCCC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000210303 [0,1,0,0,0,0|2,0,0]=3 168 B16R2.28948 CCNC(=O)C1CC1c2cccc(c2)Br 240690a_100015525214_100000747823 [0,1,0,0,0,0|2,0,0]=3 169 B16R2.28948 CCNC(=O)C1CC1c2cccc(c2)Cl 11a_100015525214_100000747819 [0,1,0,0,0,0|2,0,0]=3 170 B16R2.28948 CCNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 11a_100015525214_100015409224 [0,1,0,0,0,0|2,0,0]=3 171 B16R2.28948 CCNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 527a_100015525214_100015409224 [0,1,0,0,0,0|2,0,0]=3 172 B16R2.28948 CCOC(=O)C1CC1c2c[n+](ccn2)[O-] 271570a_100010780539_100009880115 [0,1,0,0,0,0|3,0,0]=4 173 B16R2.28948 CCOC(=O)C1CC1c2cc(ccn2)C 271570a_100010780539_100000750283 [0,1,0,0,0,0|2,0,0]=3 174 B16R2.28948 CCOC(=O)C1CC1c2cc(ccn2)Cl 271570a_100010780539_100010167805 [0,1,0,0,0,0|2,0,0]=3 175 B16R2.28948 CCOC(=O)C1CC1c2cc(ccn2)F 271570a_100010780539_100009817058 [0,1,0,0,0,0|2,0,0]=3 176 B16R2.28948 CCOC(=O)C1CC1c2cc(ccn2)N 271570a_100010780539_100009814236 [0,1,0,0,0,0|2,0,0]=3 177 B16R2.28948 CCOC(=O)C1CC1c2cc(ccn2)O 271570a_100010780539_100000762945 [0,1,0,0,0,0|2,0,0]=3 178 B16R2.28948 CCOC(=O)C1CC1c2cc(cnn2)C 271570a_100010780539_100000070100 [0,1,0,0,0,0|3,0,0]=4 179 B16R2.28948 CCOC(=O)C1CC1c2cc(cnn2)O 271570a_100010780539_200010734679 [0,1,0,0,0,0|3,0,0]=4 180 B16R2.28948 CCOC(=O)C1CC1c2cc(ncn2)C 271570a_100010780539_100000744208 [0,1,0,0,0,0|3,0,0]=4 181 B16R2.28948 CCOC(=O)C1CC1c2cc(ncn2)F 271570a_100010780539_200009880791 [0,1,0,0,0,0|3,0,0]=4 182 B16R2.28948 CCOC(=O)C1CC1c2cc(ncn2)N 271570a_100010780539_100000701291 [0,1,0,0,0,0|3,0,0]=4 183 B16R2.28948 CCOC(=O)C1CC1c2cc(ncn2)O 271570a_100010780539_100000765262 [0,1,0,0,0,0|3,0,0]=4 184 B16R2.28948 CCOC(=O)C1CC1c2cc[nH]c(=O)c2 271570a_100010780539_100009816521 [0,1,0,0,0,0|2,0,0]=3 185 B16R2.28948 CCOC(=O)C1CC1c2cc[nH]c(=O)n2 271570a_100010780539_200000134032 [0,1,0,0,0,0|3,0,0]=4 186 B16R2.28948 CCOC(=O)C1CC1c2ccc[n+](c2)C 271570a_100010780539_100009996589 [0,1,0,0,0,0|2,0,0]=3 187 B16R2.28948 CCOC(=O)C1CC1c2ccc[n+](c2)[O-] 271570a_100010780539_100009815978 [0,1,0,0,0,0|2,0,0]=3 188 B16R2.28948 CCOC(=O)C1CC1c2cccc(=O)[nH]2 271570a_100010780539_100000761760 [0,1,0,0,0,0|2,0,0]=3 189 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)Br 271570a_100010780539_100000691529 [0,1,0,0,0,0|1,0,0]=2 190 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)C 271570a_100010780539_100011215228 [0,1,0,0,0,0|1,0,0]=2 191 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)Cl 271570a_100010780539_100000699651 [0,1,0,0,0,0|1,0,0]=2 192 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)F 271570a_100010780539_100000685547 [0,1,0,0,0,0|1,0,0]=2 193 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)N 271570a_100010780539_100000210019 [0,1,0,0,0,0|1,0,0]=2 194 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)O 271570a_100010780539_100000211634 [0,1,0,0,0,0|1,0,0]=2 195 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)[S] 271570a_100010780539_114929384022 [0,1,0,0,0,0|1,0,0]=2 196 B16R2.28948 CCOC(=O)C1CC1c2cccc(n2)Br 271570a_100010780539_100000684672 [0,1,0,0,0,0|2,0,0]=3 197 B16R2.28948 CCOC(=O)C1CC1c2cccc(n2)C 271570a_100010780539_100000742759 [0,1,0,0,0,0|2,0,0]=3 198 B16R2.28948 CCOC(=O)C1CC1c2cccc(n2)F 271570a_100010780539_100009815982 [0,1,0,0,0,0|2,0,0]=3 199 B16R2.28948 CCOC(=O)C1CC1c2cccc(n2)N 271570a_100010780539_100000740741 [0,1,0,0,0,0|2,0,0]=3 200 B16R2.28948 CCOC(=O)C1CC1c2ccnc(c2)Br 271570a_100010780539_100009814637 [0,1,0,0,0,0|2,0,0]=3 201 B16R2.28948 CCOC(=O)C1CC1c2ccnc(c2)C 271570a_100010780539_100000758586 [0,1,0,0,0,0|2,0,0]=3 202 B16R2.28948 CCOC(=O)C1CC1c2ccnc(c2)Cl 271570a_100010780539_100000035001 [0,1,0,0,0,0|2,0,0]=3 203 B16R2.28948 CCOC(=O)C1CC1c2ccnc(c2)F 271570a_100010780539_100009816116 [0,1,0,0,0,0|2,0,0]=3 204 B16R2.28948 CCOC(=O)C1CC1c2ccnc(c2)N 271570a_100010780539_100000744379 [0,1,0,0,0,0|2,0,0]=3 205 B16R2.28948 CCOC(=O)C1CC1c2ccnc(n2)C 271570a_100010780539_100000749937 [0,1,0,0,0,0|3,0,0]=4 206 B16R2.28948 CCOC(=O)C1CC1c2ccnc(n2)N 271570a_100010780539_100009820717 [0,1,0,0,0,0|3,0,0]=4 207 B16R2.28948 CCOC(=O)C1CC1c2cn[nH]c(=O)c2 271570a_100010780539_100010197405 [0,1,0,0,0,0|3,0,0]=4 208 B16R2.28948 CCOC(=O)C1CC1c2cncc(c2)Br 271570a_100010780539_100000728054 [0,1,0,0,0,0|2,0,0]=3 209 B16R2.28948 CCOC(=O)C1CC1c2cncc(c2)C 271570a_100010780539_100000760492 [0,1,0,0,0,0|2,0,0]=3 210 B16R2.28948 CCOC(=O)C1CC1c2cncc(c2)Cl 271570a_100010780539_100000049639 [0,1,0,0,0,0|2,0,0]=3 211 B16R2.28948 CCOC(=O)C1CC1c2cncc(c2)F 271570a_100010780539_100000744099 [0,1,0,0,0,0|2,0,0]=3 212 B16R2.28948 CCOC(=O)C1CC1c2cncc(c2)N 271570a_100010780539_100000687067 [0,1,0,0,0,0|2,0,0]=3 213 B16R2.28948 CCOC(=O)C1CC1c2cncc(c2)O 271570a_100010780539_100000754920 [0,1,0,0,0,0|2,0,0]=3 214 B16R2.28948 CCOC(=O)C1CC1c2cncc(n2)C 271570a_100010780539_100009842155 [0,1,0,0,0,0|3,0,0]=4 215 B16R2.28948 CCOC(=O)C1CC1c2cncc(n2)F 271570a_100010780539_200009863489 [0,1,0,0,0,0|3,0,0]=4 216 B16R2.28948 CCOC(=O)C1CC1c2cncc(n2)N 271570a_100010780539_100009819714 [0,1,0,0,0,0|3,0,0]=4 217 B16R2.28948 CCOC(=O)C1CC1c2cncc(n2)O 271570a_100010780539_100011269956 [0,1,0,0,0,0|3,0,0]=4 218 B16R2.28948 CCOC(=O)C1CC1c2cnnc(c2)N 271570a_100010780539_100000130277 [0,1,0,0,0,0|3,0,0]=4 219 B16R2.28948 CCOC(=O)C1CC1c2nccc(n2)C 271570a_100010780539_100011243806 [0,1,0,0,0,0|3,0,0]=4 220 B16R2.28948 CCOC(=O)C1CC1c2nccc(n2)N 271570a_100010780539_100000757536 [0,1,0,0,0,0|3,0,0]=4 221 B16R2.28948 CCOC(=O)C1CC1c2nccc(n2)O 271570a_100010780539_100011649813 [0,1,0,0,0,0|3,0,0]=4 222 B16R2.28948 CCOC(=O)[C@@H]1C[C@H]1c2cccc(c2)O 271570a_203496583355_100103306034 [0,1,0,0,0,0|1,0,0]=2 223 B16R2.28948 CNNC(=O)C1CC1c2cccc(c2)Br 22a_100016993582_100000747823 [0,1,0,0,0,0|3,0,0]=4 224 B16R2.28948 CNNC(=O)C1CC1c2cccc(c2)Cl 22a_100016993582_100000747819 [0,1,0,0,0,0|3,0,0]=4 225 B16R2.28948 CNNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 22a_100016993582_100015409224 [0,1,0,0,0,0|3,0,0]=4 226 B16R2.28948 O=C(CCF)C1CC1c2cccc(c2)Br 1458a_100000747823_100011217306 [0,1,0,0,0,0|3,0,0]=4 227 B16R2.28948 O=C(CCO)C1CC1c2cccc(c2)Br 1458a_100000747823_100000211926 [0,1,0,0,0,0|3,0,0]=4 228 B16R2.29477 CCCC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000210303 [0,1,0,0,0,0|2,0,0]=3 229 B16R2.29477 CCCC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000210303 [0,1,0,0,0,0|2,0,0]=3 230 B16R2.29477 CCNC(=O)C1CC1c2ccccc2Br 240690a_100015525214_100000748278 [0,1,0,0,0,0|2,0,0]=3 231 B16R2.29477 CCNC(=O)C1CC1c2ccccc2Br 527a_100015525214_100000748278 [0,1,0,0,0,0|2,0,0]=3 232 B16R2.29477 CCNC(=O)C1CC1c2ccccc2Cl 11a_100015525214_100016119764 [0,1,0,0,0,0|2,0,0]=3 233 B16R2.29477 CCNC(=O)C1CC1c2ccccc2Cl 240690a_100015525214_100016119764 [0,1,0,0,0,0|2,0,0]=3 234 B16R2.29477 CCNC(=O)C1CC1c2ccccc2Cl 527a_100015525214_100016119764 [0,1,0,0,0,0|2,0,0]=3 235 B16R2.29477 CCNC(=O)C1CC1c2ccccc2F 11a_100015525214_100015190330 [0,1,0,0,0,0|2,0,0]=3 236 B16R2.29477 CCNC(=O)C1CC1c2ccccc2F 240690a_100015525214_100015190330 [0,1,0,0,0,0|2,0,0]=3 237 B16R2.29477 CCNC(=O)C1CC1c2ccccc2F 527a_100015525214_100015190330 [0,1,0,0,0,0|2,0,0]=3 238 B16R2.29477 CCOC(=O)C1CC1c2c[nH]ccc2=O 271570a_100010780539_100009998708 [0,1,0,0,0,0|2,0,0]=3 239 B16R2.29477 CCOC(=O)C1CC1c2c[nH]ccc2=S 271570a_100010780539_200012280681 [0,1,0,0,0,0|2,0,0]=3 240 B16R2.29477 CCOC(=O)C1CC1c2ccc[nH]c2=O 271570a_100010780539_100000050042 [0,1,0,0,0,0|2,0,0]=3 241 B16R2.29477 CCOC(=O)C1CC1c2cccc[n+]2C 271570a_100010780539_100000212160 [0,1,0,0,0,0|2,0,0]=3 242 B16R2.29477 CCOC(=O)C1CC1c2cccc[n+]2[O-] 271570a_100010780539_200000042595 [0,1,0,0,0,0|2,0,0]=3 243 B16R2.29477 CCOC(=O)C1CC1c2ccccc2Br 271570a_100010780539_100000695589 [0,1,0,0,0,0|1,0,0]=2 244 B16R2.29477 CCOC(=O)C1CC1c2ccccc2C 271570a_100010780539_100000210755 [0,1,0,0,0,0|1,0,0]=2 245 B16R2.29477 CCOC(=O)C1CC1c2ccccc2Cl 271570a_100010780539_100000764095 [0,1,0,0,0,0|1,0,0]=2 246 B16R2.29477 CCOC(=O)C1CC1c2ccccc2F 271570a_100010780539_100011215700 [0,1,0,0,0,0|1,0,0]=2 247 B16R2.29477 CCOC(=O)C1CC1c2ccccc2N 271570a_100010780539_100000210017 [0,1,0,0,0,0|1,0,0]=2 248 B16R2.29477 CCOC(=O)C1CC1c2ccccc2O 271570a_100010780539_100000739446 [0,1,0,0,0,0|1,0,0]=2 249 B16R2.29477 CCOC(=O)C1CC1c2cccnc2Br 271570a_100010780539_100010202626 [0,1,0,0,0,0|2,0,0]=3 250 B16R2.29477 CCOC(=O)C1CC1c2cccnc2C 271570a_100010780539_100000751574 [0,1,0,0,0,0|2,0,0]=3 251 B16R2.29477 CCOC(=O)C1CC1c2cccnc2Cl 271570a_100010780539_100000036424 [0,1,0,0,0,0|2,0,0]=3 252 B16R2.29477 CCOC(=O)C1CC1c2cccnc2F 271570a_100010780539_100009816115 [0,1,0,0,0,0|2,0,0]=3 253 B16R2.29477 CCOC(=O)C1CC1c2cccnc2N 271570a_100010780539_100000045569 [0,1,0,0,0,0|2,0,0]=3 254 B16R2.29477 CCOC(=O)C1CC1c2ccn[nH]c2=O 271570a_100010780539_100000087129 [0,1,0,0,0,0|3,0,0]=4 255 B16R2.29477 CCOC(=O)C1CC1c2ccncc2Br 271570a_100010780539_100000726257 [0,1,0,0,0,0|2,0,0]=3 256 B16R2.29477 CCOC(=O)C1CC1c2ccncc2C 271570a_100010780539_100015191297 [0,1,0,0,0,0|2,0,0]=3 257 B16R2.29477 CCOC(=O)C1CC1c2ccncc2Cl 271570a_100010780539_100000708259 [0,1,0,0,0,0|2,0,0]=3 258 B16R2.29477 CCOC(=O)C1CC1c2ccncc2F 271570a_100010780539_100000047030 [0,1,0,0,0,0|2,0,0]=3 259 B16R2.29477 CCOC(=O)C1CC1c2ccncc2N 271570a_100010780539_100009815883 [0,1,0,0,0,0|2,0,0]=3 260 B16R2.29477 CCOC(=O)C1CC1c2ccncc2O 271570a_100010780539_100009817591 [0,1,0,0,0,0|2,0,0]=3 261 B16R2.29477 CCOC(=O)C1CC1c2cnccc2Br 271570a_100010780539_100010138639 [0,1,0,0,0,0|2,0,0]=3 262 B16R2.29477 CCOC(=O)C1CC1c2cnccc2C 271570a_100010780539_100000761580 [0,1,0,0,0,0|2,0,0]=3 263 B16R2.29477 CCOC(=O)C1CC1c2cnccc2Cl 271570a_100010780539_100009995489 [0,1,0,0,0,0|2,0,0]=3 264 B16R2.29477 CCOC(=O)C1CC1c2cnccc2F 271570a_100010780539_100009820683 [0,1,0,0,0,0|2,0,0]=3 265 B16R2.29477 CCOC(=O)C1CC1c2cnccc2N 271570a_100010780539_100000047001 [0,1,0,0,0,0|2,0,0]=3 266 B16R2.29477 CCOC(=O)C1CC1c2cncnc2Br 271570a_100010780539_200012461658 [0,1,0,0,0,0|3,0,0]=4 267 B16R2.29477 CCOC(=O)C1CC1c2cncnc2C 271570a_100010780539_100009819671 [0,1,0,0,0,0|3,0,0]=4 268 B16R2.29477 CCOC(=O)C1CC1c2cncnc2Cl 271570a_100010780539_100000758962 [0,1,0,0,0,0|3,0,0]=4 269 B16R2.29477 CCOC(=O)C1CC1c2cncnc2N 271570a_100010780539_100011996079 [0,1,0,0,0,0|3,0,0]=4 270 B16R2.29477 CCOC(=O)C1CC1c2cncnc2O 271570a_100010780539_100000751107 [0,1,0,0,0,0|3,0,0]=4 271 B16R2.29477 CCOC(=O)C1CC1c2cnncc2N 271570a_100010780539_100009829405 [0,1,0,0,0,0|3,0,0]=4 272 B16R2.29477 CCOC(=O)C1CC1c2ncc[nH]c2=O 271570a_100010780539_100000763361 [0,1,0,0,0,0|3,0,0]=4 273 B16R2.29477 CCOC(=O)C1CC1c2ncccc2Br 271570a_100010780539_100000696092 [0,1,0,0,0,0|2,0,0]=3 274 B16R2.29477 CCOC(=O)C1CC1c2ncccc2C 271570a_100010780539_100000751373 [0,1,0,0,0,0|2,0,0]=3 275 B16R2.29477 CCOC(=O)C1CC1c2ncccc2Cl 271570a_100010780539_100011356963 [0,1,0,0,0,0|2,0,0]=3 276 B16R2.29477 CCOC(=O)C1CC1c2ncccc2F 271570a_100010780539_100000685392 [0,1,0,0,0,0|2,0,0]=3 277 B16R2.29477 CCOC(=O)C1CC1c2ncccc2N 271570a_100010780539_100000688686 [0,1,0,0,0,0|2,0,0]=3 278 B16R2.29477 CCOC(=O)C1CC1c2ncccc2O 271570a_100010780539_100000034122 [0,1,0,0,0,0|2,0,0]=3 279 B16R2.29477 CCOC(=O)C1CC1c2nccnc2C 271570a_100010780539_100011999405 [0,1,0,0,0,0|3,0,0]=4 280 B16R2.29477 CCOC(=O)C1CC1c2nccnc2F 271570a_100010780539_200010125657 [0,1,0,0,0,0|3,0,0]=4 281 B16R2.29477 CCOC(=O)C1CC1c2nccnc2N 271570a_100010780539_100000747729 [0,1,0,0,0,0|3,0,0]=4 282 B16R2.29477 CCOC(=O)C1CC1c2ncncc2C 271570a_100010780539_100011998708 [0,1,0,0,0,0|3,0,0]=4 283 B16R2.29477 CCOC(=O)C1CC1c2ncncc2F 271570a_100010780539_100000069762 [0,1,0,0,0,0|3,0,0]=4 284 B16R2.29477 CCOC(=O)C1CC1c2ncncc2N 271570a_100010780539_100000709731 [0,1,0,0,0,0|3,0,0]=4 285 B16R2.29477 CCOC(=O)C1CC1c2nnccc2C 271570a_100010780539_100000089043 [0,1,0,0,0,0|3,0,0]=4 286 B16R2.29477 CNNC(=O)C1CC1c2ccccc2Br 22a_100016993582_100000748278 [0,1,0,0,0,0|3,0,0]=4 287 B16R2.29477 CNNC(=O)C1CC1c2ccccc2Cl 22a_100016993582_100016119764 [0,1,0,0,0,0|3,0,0]=4 288 B16R2.29477 CNNC(=O)C1CC1c2ccccc2F 22a_100016993582_100015190330 [0,1,0,0,0,0|3,0,0]=4 289 B16R2.29477 O=C(CCF)C1CC1c2ccccc2Br 1458a_100000748278_100011217306 [0,1,0,0,0,0|3,0,0]=4 290 B16R2.29477 O=C(CCF)C1CC1c2ccccc2Cl 1458a_100016119764_100011217306 [0,1,0,0,0,0|3,0,0]=4 291 B16R2.29477 O=C(CCO)C1CC1c2ccccc2Br 1458a_100000748278_100000211926 [0,1,0,0,0,0|3,0,0]=4 292 B16R2.29477 O=C(CCO)C1CC1c2ccccc2Cl 1458a_100016119764_100000211926 [0,1,0,0,0,0|3,0,0]=4 293 B14R1.29 C#CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000184674 [0,0,1,0,0,0|1,0,2]=4 294 B14R1.29 C#CCC(=O)CC(O)c1ccccc1 1458a_100011220946_100000185958 [0,0,1,0,0,0|1,0,2]=4 295 B14R1.29 C#CCC(=O)C[C@@H](O)c1ccccc1 1458a_100011220946_100011933945 [0,0,1,0,0,0|1,0,2]=4 296 B14R1.29 C=CCC(=O)CC(O)c1ccccc1 1458a_100000210193_100000185958 [0,0,1,0,0,0|1,0,2]=4 297 B14R1.29 C=CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210623 [0,0,1,0,0,0|1,0,2]=4 298 B14R1.29 C=CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210193_100011933945 [0,0,1,0,0,0|1,0,2]=4 299 B14R1.29 CC#CC(=O)CC(C)c1ccccc1 1458a_100000763181_100000756946 [0,0,1,0,0,0|2,0,1]=4 300 B14R1.29 CC#CC(=O)CC(O)c1ccccc1 1458a_100000763181_100000185958 [0,0,1,0,0,0|1,0,1]=3 301 B14R1.29 CC#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000763181_100011933945 [0,0,1,0,0,0|1,0,1]=3 302 B14R1.29 CC(CC(=O)CCF)c1ccccc1 1458a_100000183687_100011217306 [0,0,1,0,0,0|3,0,0]=4 303 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100000183687_100000211926 [0,0,1,0,0,0|3,0,0]=4 304 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100011216618_100000756946 [0,0,1,0,0,0|3,0,0]=4 305 B14R1.29 CC=CC(=O)CC(C)c1ccccc1 1458a_100000210699_100000756946 [0,0,1,0,0,0|2,0,1]=4 306 B14R1.29 CC=CC(=O)CC(O)c1ccccc1 1458a_100000210699_100000185958 [0,0,1,0,0,0|1,0,1]=3 307 B14R1.29 CC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000210699_100011933945 [0,0,1,0,0,0|1,0,1]=3 308 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [0,0,1,0,0,0|1,0,2]=4 309 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [0,0,1,0,0,0|1,0,2]=4 310 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210303 [0,0,1,0,0,0|2,0,0]=3 311 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000211992_100000756946 [0,0,1,0,0,0|2,0,0]=3 312 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000211992_100000185958 [0,0,1,0,0,0|1,0,0]=2 313 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210303 [0,0,1,0,0,0|1,0,0]=2 314 B14R1.29 CCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210303 [0,0,1,0,0,0|3,0,0]=4 315 B14R1.29 CCCC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747444 [0,0,1,0,0,0|3,0,0]=4 316 B14R1.29 CCCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747444 [0,0,1,0,0,0|3,0,0]=4 317 B14R1.29 CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211992_100011933945 [0,0,1,0,0,0|1,0,0]=2 318 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211992 [0,0,1,0,0,0|3,0,0]=4 319 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211992 [0,0,1,0,0,0|3,0,0]=4 320 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211992 [0,0,1,0,0,0|3,0,0]=4 321 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211992 [0,0,1,0,0,0|3,0,0]=4 322 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210303 [0,0,1,0,0,0|3,0,0]=4 323 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000747261_100000185958 [0,0,1,0,0,0|3,0,0]=4 324 B14R1.29 CCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210303 [0,0,1,0,0,0|3,0,0]=4 325 B14R1.29 CCCN(C)C[C@@H](O)c1ccccc1 2230a_100000747261_100011933945 [0,0,1,0,0,0|3,0,0]=4 326 B14R1.29 CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183381 [0,0,1,0,0,0|1,0,2]=4 327 B14R1.29 CCNC(=O)CC(C)c1ccccc1 11a_100015525214_100000183687 [0,0,1,0,0,0|2,0,0]=3 328 B14R1.29 CCNC(=O)CC(C)c1ccccc1 240690a_100015525214_100000183687 [0,0,1,0,0,0|2,0,0]=3 329 B14R1.29 CCNC(=O)CC(C)c1ccccc1 527a_100015525214_100000183687 [0,0,1,0,0,0|2,0,0]=3 330 B14R1.29 CCNC(=O)CC(O)c1ccccc1 240690a_100015525214_100000690199 [0,0,1,0,0,0|1,0,0]=2 331 B14R1.29 CCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183381 [0,0,1,0,0,0|3,0,0]=4 332 B14R1.29 CCNC(=O)CN(C)c1ccccc1 240690a_100015525214_100000745425 [0,0,1,0,0,0|3,0,0]=4 333 B14R1.29 CCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183381 [0,0,1,0,0,0|3,0,0]=4 334 B14R1.29 CCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183381 [0,0,1,0,0,0|3,0,0]=4 335 B14R1.29 CCNC(=O)CN(C)c1ccccc1 527a_100015525214_100000745425 [0,0,1,0,0,0|3,0,0]=4 336 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100015525214 [0,0,1,0,0,0|3,0,0]=4 337 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100015525214_100000751104 [0,0,1,0,0,0|3,0,0]=4 338 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100015525214 [0,0,1,0,0,0|3,0,0]=4 339 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100015525214_100000751104 [0,0,1,0,0,0|3,0,0]=4 340 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100015525214 [0,0,1,0,0,0|3,0,0]=4 341 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100015525214_100000751104 [0,0,1,0,0,0|3,0,0]=4 342 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [0,0,1,0,0,0|1,0,2]=4 343 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,0,1,0,0,0|0,0,2]=3 344 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000188475 [0,0,1,0,0,0|2,0,0]=3 345 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000219562_200000210301 [0,0,1,0,0,0|2,0,0]=3 346 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000188475 [0,0,1,0,0,0|2,0,0]=3 347 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000219562_200000210301 [0,0,1,0,0,0|2,0,0]=3 348 B14R1.29 CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000188475 [0,0,1,0,0,0|2,0,0]=3 349 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 2230a_100000219562_200025704644 [0,0,1,0,0,0|2,0,0]=3 350 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 269982a_100000219562_200025704644 [0,0,1,0,0,0|2,0,0]=3 351 B14R1.29 CNNC(=O)CC(C)c1ccccc1 22a_100016993582_100000183687 [0,0,1,0,0,0|3,0,0]=4 352 B14R1.29 CNNC(=O)CC(O)c1ccccc1 22a_100016993582_100000690199 [0,0,1,0,0,0|2,0,0]=3 353 B14R1.29 COCC(=O)CC(C)c1ccccc1 1458a_100000210968_100000756946 [0,0,1,0,0,0|3,0,0]=4 354 B14R1.29 COCC(=O)CC(O)c1ccccc1 1458a_100000210968_100000185958 [0,0,1,0,0,0|2,0,0]=3 355 B14R1.29 COCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210968_100011933945 [0,0,1,0,0,0|2,0,0]=3 356 B14R1.29 CSCC(=O)CC(C)c1ccccc1 1458a_100000184570_100000756946 [0,0,1,0,0,0|3,0,0]=4 357 B14R1.29 CSCC(=O)CC(O)c1ccccc1 1458a_100000184570_100000185958 [0,0,1,0,0,0|2,0,0]=3 358 B14R1.29 CSCC(=O)C[C@@H](O)c1ccccc1 1458a_100000184570_100011933945 [0,0,1,0,0,0|2,0,0]=3 359 B14R1.29 N#CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100011214920 [0,0,1,0,0,0|2,0,1]=4 360 B14R1.29 N#CCC(=O)CC(O)c1ccccc1 1458a_100051588842_100000185958 [0,0,1,0,0,0|2,0,1]=4 361 B14R1.29 N#CCC(=O)C[C@@H](O)c1ccccc1 1458a_100051588842_100011933945 [0,0,1,0,0,0|2,0,1]=4 362 B14R1.29 O=C(C=CBr)CC(O)c1ccccc1 1458a_100016273825_100000185958 [0,0,1,0,0,0|2,0,1]=4 363 B14R1.29 O=C(C=CBr)C[C@@H](O)c1ccccc1 1458a_100016273825_100011933945 [0,0,1,0,0,0|2,0,1]=4 364 B14R1.29 O=C(C=CCl)CC(O)c1ccccc1 1458a_200016279998_100000185958 [0,0,1,0,0,0|2,0,1]=4 365 B14R1.29 O=C(C=CCl)C[C@@H](O)c1ccccc1 1458a_200016279998_100011933945 [0,0,1,0,0,0|2,0,1]=4 366 B14R1.29 O=C(C=CI)CC(O)c1ccccc1 1458a_100016256311_100000185958 [0,0,1,0,0,0|2,0,1]=4 367 B14R1.29 O=C(C=CI)C[C@@H](O)c1ccccc1 1458a_100016256311_100011933945 [0,0,1,0,0,0|2,0,1]=4 368 B14R1.29 O=C(CCF)CC(O)c1ccccc1 1458a_100000690199_100011217306 [0,0,1,0,0,0|2,0,0]=3 369 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100000690199_100000211926 [0,0,1,0,0,0|2,0,0]=3 370 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100011216618_100000185958 [0,0,1,0,0,0|2,0,0]=3 371 B14R1.29 O=C(CCO)C[C@@H](O)c1ccccc1 1458a_100011216618_100011933945 [0,0,1,0,0,0|2,0,0]=3 372 B14R1.60 C#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000184674 [0,0,1,0,0,0|1,0,2]=4 373 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC 11a_100015525214_100000066491 [0,0,1,0,0,0|2,0,1]=4 374 B14R1.60 C=CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210623 [0,0,1,0,0,0|1,0,2]=4 375 B14R1.60 CC#CC(=O)C(C)Cc1ccccc1 1458a_100000763181_200011218536 [0,0,1,0,0,0|2,0,1]=4 376 B14R1.60 CC(Cc1ccccc1)C(=O)CCF 1458a_100000754839_100011217306 [0,0,1,0,0,0|3,0,0]=4 377 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [0,0,1,0,0,0|3,0,0]=4 378 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [0,0,1,0,0,0|3,0,0]=4 379 B14R1.60 CC=CC(=O)C(C)Cc1ccccc1 1458a_100000210699_200011218536 [0,0,1,0,0,0|2,0,1]=4 380 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [0,0,1,0,0,0|2,0,0]=3 381 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [0,0,1,0,0,0|2,0,0]=3 382 B14R1.60 CCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210303 [0,0,1,0,0,0|3,0,0]=4 383 B14R1.60 CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210303 [0,0,1,0,0,0|3,0,0]=4 384 B14R1.60 CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210303 [0,0,1,0,0,0|3,0,0]=4 385 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000211992 [0,0,1,0,0,0|3,0,0]=4 386 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000211992 [0,0,1,0,0,0|3,0,0]=4 387 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000211992 [0,0,1,0,0,0|3,0,0]=4 388 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000211992 [0,0,1,0,0,0|3,0,0]=4 389 B14R1.60 CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210303 [0,0,1,0,0,0|1,0,0]=2 390 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 1458a_200011297158_100015291786 [0,0,1,0,0,0|1,0,2]=4 391 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [0,0,1,0,0,0|2,0,0]=3 392 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [0,0,1,0,0,0|2,0,0]=3 393 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [0,0,1,0,0,0|2,0,0]=3 394 B14R1.60 CCNC(=O)C(C)Cc1ccccn1 240690a_100015525214_100012000792 [0,0,1,0,0,0|3,0,0]=4 395 B14R1.60 CCNC(=O)C(C)Cc1ccccn1 527a_100015525214_100012000792 [0,0,1,0,0,0|3,0,0]=4 396 B14R1.60 CCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000230173 [0,0,1,0,0,0|3,0,0]=4 397 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 11a_100015525214_100000188414 [0,0,1,0,0,0|3,0,0]=4 398 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 240690a_100015525214_100000188414 [0,0,1,0,0,0|3,0,0]=4 399 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000230173 [0,0,1,0,0,0|3,0,0]=4 400 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 527a_100015525214_100000188414 [0,0,1,0,0,0|3,0,0]=4 401 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230173 [0,0,1,0,0,0|3,0,0]=4 402 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 11a_100015525214_100000199063 [0,0,1,0,0,0|3,0,0]=4 403 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 240690a_100015525214_100000199063 [0,0,1,0,0,0|3,0,0]=4 404 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 527a_100015525214_100000199063 [0,0,1,0,0,0|3,0,0]=4 405 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000230173_100000041952 [0,0,1,0,0,0|3,0,0]=4 406 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230173 [0,0,1,0,0,0|3,0,0]=4 407 B14R1.60 CCNC(=O)N(C)Cc1ccccc1 2708a_100015525214_100000186898 [0,0,1,0,0,0|3,0,0]=4 408 B14R1.60 CCNC(=O)N(C)Cc1ccccc1 273464a_100015525214_100000186898 [0,0,1,0,0,0|3,0,0]=4 409 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [0,0,1,0,0,0|1,0,0]=2 410 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [0,0,1,0,0,0|1,0,2]=4 411 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [0,0,1,0,0,0|1,0,2]=4 412 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100011216346 [0,0,1,0,0,0|2,0,0]=3 413 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100011216346 [0,0,1,0,0,0|2,0,0]=3 414 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100011216346 [0,0,1,0,0,0|2,0,0]=3 415 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 34a_100000210849_100011216346 [0,0,1,0,0,0|3,0,0]=4 416 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 7a_100000210849_100011216346 [0,0,1,0,0,0|3,0,0]=4 417 B14R1.60 CCOC(=O)C(C)Oc1ccncc1 34a_100000212176_100011216346 [0,0,1,0,0,0|3,0,0]=4 418 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100011216346 [0,0,1,0,0,0|2,0,0]=3 419 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100011216346_100000041952 [0,0,1,0,0,0|2,0,0]=3 420 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216346_100011216584 [0,0,1,0,0,0|3,0,0]=4 421 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216584_100011216346 [0,0,1,0,0,0|3,0,0]=4 422 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100000210063_100011216346 [0,0,1,0,0,0|3,0,0]=4 423 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100011216346_100000210063 [0,0,1,0,0,0|3,0,0]=4 424 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100000728582_100011216346 [0,0,1,0,0,0|3,0,0]=4 425 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100011216346_100000728582 [0,0,1,0,0,0|3,0,0]=4 426 B14R1.60 CCOC(=O)C(F)Nc1ccccc1 34a_100000106764_100000760018 [0,0,1,0,0,0|2,0,0]=3 427 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 34a_100000210340_100000760018 [0,0,1,0,0,0|2,0,0]=3 428 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 7a_100000210340_100000040065 [0,0,1,0,0,0|2,0,0]=3 429 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 34a_100000210849_100000760018 [0,0,1,0,0,0|3,0,0]=4 430 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 7a_100000210849_100000040065 [0,0,1,0,0,0|3,0,0]=4 431 B14R1.60 CCOC(=O)C(F)Oc1ccncc1 34a_100000212176_100000760018 [0,0,1,0,0,0|3,0,0]=4 432 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000719477_100000760018 [0,0,1,0,0,0|2,0,0]=3 433 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000760018_100000041952 [0,0,1,0,0,0|2,0,0]=3 434 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100000760018_100011216584 [0,0,1,0,0,0|3,0,0]=4 435 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100011216584_100000760018 [0,0,1,0,0,0|3,0,0]=4 436 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000210063_100000760018 [0,0,1,0,0,0|3,0,0]=4 437 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000760018_100000210063 [0,0,1,0,0,0|3,0,0]=4 438 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000728582_100000760018 [0,0,1,0,0,0|3,0,0]=4 439 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000760018_100000728582 [0,0,1,0,0,0|3,0,0]=4 440 B14R1.60 CNNC(=O)C(C)Cc1ccccc1 22a_100016993582_100000754839 [0,0,1,0,0,0|3,0,0]=4 441 B14R1.60 CNNC(=O)[C@H](O)Cc1ccccc1 22a_100016993582_100009816399 [0,0,1,0,0,0|2,0,0]=3 442 B14R1.60 COCC(=O)C(C)Cc1ccccc1 1458a_100000210968_200011218536 [0,0,1,0,0,0|3,0,0]=4 443 B14R1.60 CSCC(=O)C(C)Cc1ccccc1 1458a_100000184570_200011218536 [0,0,1,0,0,0|3,0,0]=4 444 B14R1.60 N#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011214920 [0,0,1,0,0,0|2,0,1]=4 445 B14R1.60 O=C(CCF)[C@H](O)Cc1ccccc1 1458a_100009816399_100011217306 [0,0,1,0,0,0|2,0,0]=3 446 B14R1.60 O=C(CCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100000211926 [0,0,1,0,0,0|2,0,0]=3 447 B14R1.520 C#CCC(=O)COCc1ccccc1 1458a_100000230186_100000184674 [0,0,1,0,0,0|1,0,2]=4 448 B14R1.520 C=CCC(=O)COCc1ccccc1 1458a_100000230186_100000210623 [0,0,1,0,0,0|1,0,2]=4 449 B14R1.520 C=COC(=O)CNCc1ccccc1 2230a_100015324214_100000036128 [0,0,1,0,0,0|1,0,2]=4 450 B14R1.520 C=COC(=O)CNCc1ccccc1 34a_100015324214_100000036128 [0,0,1,0,0,0|1,0,2]=4 451 B14R1.520 C=COC(=O)COCc1ccccc1 34a_100000210790_100000036128 [0,0,1,0,0,0|0,0,2]=3 452 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000036128_100015291786 [0,0,1,0,0,0|0,1,2]=4 453 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000211182_100000036128 [0,0,1,0,0,0|0,1,2]=4 454 B14R1.520 CC#CC(=O)CCCc1ccccc1 1458a_100000763181_100000211621 [0,0,1,0,0,0|2,0,1]=4 455 B14R1.520 CC#CC(=O)CSCc1ccccc1 1458a_100000763181_200011217039 [0,0,1,0,0,0|1,1,1]=4 456 B14R1.520 CC(COCc1ccccc1)OCF 34a_100000764311_100015361967 [0,0,1,0,0,0|2,0,1]=4 457 B14R1.520 CC(COCc1ccccc1)OCF 7a_100000764311_100015361967 [0,0,1,0,0,0|2,0,1]=4 458 B14R1.520 CC=CC(=O)CCCc1ccccc1 1458a_100000210699_100000211621 [0,0,1,0,0,0|2,0,1]=4 459 B14R1.520 CC=CC(=O)CSCc1ccccc1 1458a_100000210699_200011217039 [0,0,1,0,0,0|1,1,1]=4 460 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100000211992_100016265936 [0,0,1,0,0,0|2,0,1]=4 461 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210303 [0,0,1,0,0,0|2,0,1]=4 462 B14R1.520 CCCC(=O)CC#Cc1ccccc1 1458a_100000211992_100011352542 [0,0,1,0,0,0|2,0,1]=4 463 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [0,0,1,0,0,0|2,0,0]=3 464 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [0,0,1,0,0,0|2,0,0]=3 465 B14R1.520 CCCC(=O)CCCc1ccccn1 1458a_100000752327_100000210303 [0,0,1,0,0,0|3,0,0]=4 466 B14R1.520 CCCC(=O)CCCc1ccncc1 1458a_100020654287_100000210303 [0,0,1,0,0,0|3,0,0]=4 467 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210303 [0,0,1,0,0,0|3,0,0]=4 468 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000211992_100000184471 [0,0,1,0,0,0|3,0,0]=4 469 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210303 [0,0,1,0,0,0|3,0,0]=4 470 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000211992_100000246102 [0,0,1,0,0,0|3,0,0]=4 471 B14R1.520 CCCC(=O)CNCc1ccccc1 2230a_100015324214_100000747444 [0,0,1,0,0,0|2,0,0]=3 472 B14R1.520 CCCC(=O)COCc1ccccc1 1458a_100000230186_100000210303 [0,0,1,0,0,0|1,0,0]=2 473 B14R1.520 CCCC(=O)COCc1ccccc1 7a_100000210790_100000747444 [0,0,1,0,0,0|1,0,0]=2 474 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210303 [0,0,1,0,0,0|1,1,0]=3 475 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000211992_200011217039 [0,0,1,0,0,0|1,1,0]=3 476 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000211182_100000747444 [0,0,1,0,0,0|1,1,0]=3 477 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000747444_100015291786 [0,0,1,0,0,0|1,1,0]=3 478 B14R1.520 CCCC(=O)CSCc1ccccn1 1458a_100000742634_100000210303 [0,0,1,0,0,0|2,1,0]=4 479 B14R1.520 CCCC(=O)CSCc1ccccn1 62a_100000721315_100000747444 [0,0,1,0,0,0|2,1,0]=4 480 B14R1.520 CCCC(=O)CSCc1ccccn1 62a_100000747444_100000721315 [0,0,1,0,0,0|2,1,0]=4 481 B14R1.520 CCCC(=O)CSCc1cccnc1 62a_100000741622_100000747444 [0,0,1,0,0,0|2,1,0]=4 482 B14R1.520 CCCC(=O)CSCc1cccnc1 62a_100000747444_100000741622 [0,0,1,0,0,0|2,1,0]=4 483 B14R1.520 CCCC(=O)CSCc1ccncc1 62a_100000747444_100015193705 [0,0,1,0,0,0|2,1,0]=4 484 B14R1.520 CCCC(=O)CSCc1ccncc1 62a_100015193705_100000747444 [0,0,1,0,0,0|2,1,0]=4 485 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [0,0,1,0,0,0|3,0,0]=4 486 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [0,0,1,0,0,0|3,0,0]=4 487 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [0,0,1,0,0,0|3,0,0]=4 488 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [0,0,1,0,0,0|3,0,0]=4 489 B14R1.520 CCCC(=O)NNCc1ccccc1 22a_100000007032_100000211992 [0,0,1,0,0,0|3,0,0]=4 490 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000210790_100011216630 [0,0,1,0,0,0|2,0,1]=4 491 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000688023_100015291786 [0,0,1,0,0,0|2,0,1]=4 492 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000210790_100011216630 [0,0,1,0,0,0|2,0,1]=4 493 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000688023_100000211182 [0,0,1,0,0,0|2,0,1]=4 494 B14R1.520 CCCN(C)COCc1ccccc1 2230a_100000747261_100000763385 [0,0,1,0,0,0|3,0,0]=4 495 B14R1.520 CCC[C@H](N)COCc1ccccc1 34a_100000732646_100015291786 [0,0,1,0,0,0|2,0,1]=4 496 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 11a_100015525214_100011219626 [0,0,1,0,0,0|2,0,1]=4 497 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 240690a_100015525214_100011219626 [0,0,1,0,0,0|2,0,1]=4 498 B14R1.520 CCNC(=O)CCCc1ccccc1 11a_100015525214_100011207963 [0,0,1,0,0,0|2,0,0]=3 499 B14R1.520 CCNC(=O)CCCc1ccccc1 240690a_100015525214_100011207963 [0,0,1,0,0,0|2,0,0]=3 500 B14R1.520 CCNC(=O)CCCc1ccccc1 527a_100015525214_100011207963 [0,0,1,0,0,0|2,0,0]=3 501 B14R1.520 CCNC(=O)CCCc1ccccn1 11a_100015525214_100000752327 [0,0,1,0,0,0|3,0,0]=4 502 B14R1.520 CCNC(=O)CCCc1ccccn1 240690a_100015525214_100000752327 [0,0,1,0,0,0|3,0,0]=4 503 B14R1.520 CCNC(=O)CCCc1ccccn1 527a_100015525214_100000752327 [0,0,1,0,0,0|3,0,0]=4 504 B14R1.520 CCNC(=O)CCCc1ccncc1 11a_100015525214_100020654287 [0,0,1,0,0,0|3,0,0]=4 505 B14R1.520 CCNC(=O)CCCc1ccncc1 240690a_100015525214_100020654287 [0,0,1,0,0,0|3,0,0]=4 506 B14R1.520 CCNC(=O)CCCc1ccncc1 527a_100015525214_100020654287 [0,0,1,0,0,0|3,0,0]=4 507 B14R1.520 CCNC(=O)CCOc1ccccc1 11a_100015525214_100000182761 [0,0,1,0,0,0|3,0,0]=4 508 B14R1.520 CCNC(=O)CCOc1ccccc1 240690a_100015525214_100000182761 [0,0,1,0,0,0|3,0,0]=4 509 B14R1.520 CCNC(=O)CCOc1ccccc1 7a_100000210340_100000737597 [0,0,1,0,0,0|3,0,0]=4 510 B14R1.520 CCNC(=O)CCSc1ccccc1 11a_100015525214_100000182436 [0,0,1,0,0,0|3,0,0]=4 511 B14R1.520 CCNC(=O)CCSc1ccccc1 240690a_100015525214_100000182436 [0,0,1,0,0,0|3,0,0]=4 512 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000719477_100000737597 [0,0,1,0,0,0|3,0,0]=4 513 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000737597_100000041952 [0,0,1,0,0,0|3,0,0]=4 514 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183381 [0,0,1,0,0,0|2,0,0]=3 515 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100016988866_100015291786 [0,0,1,0,0,0|2,0,0]=3 516 B14R1.520 CCNC(=O)CNCc1ccccc1 270004a_100016988866_100015611070 [0,0,1,0,0,0|2,0,0]=3 517 B14R1.520 CCNC(=O)CNCc1ccccc1 34a_100015324214_100000183381 [0,0,1,0,0,0|2,0,0]=3 518 B14R1.520 CCNC(=O)CNCc1ccccn1 2230a_100016988866_100000721315 [0,0,1,0,0,0|3,0,0]=4 519 B14R1.520 CCNC(=O)CNCc1ccccn1 270004a_100016988866_100000209966 [0,0,1,0,0,0|3,0,0]=4 520 B14R1.520 CCNC(=O)CNCc1cccnc1 2230a_100016988866_100000741622 [0,0,1,0,0,0|3,0,0]=4 521 B14R1.520 CCNC(=O)CNCc1cccnc1 270004a_100016988866_100000209961 [0,0,1,0,0,0|3,0,0]=4 522 B14R1.520 CCNC(=O)CNCc1ccncc1 2230a_100016988866_100015193705 [0,0,1,0,0,0|3,0,0]=4 523 B14R1.520 CCNC(=O)COCc1ccccc1 11a_100015525214_100000230186 [0,0,1,0,0,0|1,0,0]=2 524 B14R1.520 CCNC(=O)COCc1ccccc1 240690a_100015525214_100000230186 [0,0,1,0,0,0|1,0,0]=2 525 B14R1.520 CCNC(=O)COCc1ccccc1 34a_100000210790_100000183381 [0,0,1,0,0,0|1,0,0]=2 526 B14R1.520 CCNC(=O)COCc1ccccc1 527a_100015525214_100000230186 [0,0,1,0,0,0|1,0,0]=2 527 B14R1.520 CCNC(=O)COCc1ccccc1 7a_100000210790_100000183381 [0,0,1,0,0,0|1,0,0]=2 528 B14R1.520 CCNC(=O)CSCc1ccccc1 11a_100015525214_100000150264 [0,0,1,0,0,0|1,1,0]=3 529 B14R1.520 CCNC(=O)CSCc1ccccc1 240690a_100015525214_100000150264 [0,0,1,0,0,0|1,1,0]=3 530 B14R1.520 CCNC(=O)CSCc1ccccc1 527a_100015525214_100000150264 [0,0,1,0,0,0|1,1,0]=3 531 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000183381_100015291786 [0,0,1,0,0,0|1,1,0]=3 532 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000211182_100000183381 [0,0,1,0,0,0|1,1,0]=3 533 B14R1.520 CCNC(=O)CSCc1ccccn1 11a_100015525214_100000742634 [0,0,1,0,0,0|2,1,0]=4 534 B14R1.520 CCNC(=O)CSCc1ccccn1 240690a_100015525214_100000742634 [0,0,1,0,0,0|2,1,0]=4 535 B14R1.520 CCNC(=O)CSCc1ccccn1 527a_100015525214_100000742634 [0,0,1,0,0,0|2,1,0]=4 536 B14R1.520 CCNC(=O)CSCc1ccccn1 62a_100000183381_100000721315 [0,0,1,0,0,0|2,1,0]=4 537 B14R1.520 CCNC(=O)CSCc1ccccn1 62a_100000721315_100000183381 [0,0,1,0,0,0|2,1,0]=4 538 B14R1.520 CCNC(=O)CSCc1cccnc1 62a_100000183381_100000741622 [0,0,1,0,0,0|2,1,0]=4 539 B14R1.520 CCNC(=O)CSCc1cccnc1 62a_100000741622_100000183381 [0,0,1,0,0,0|2,1,0]=4 540 B14R1.520 CCNC(=O)CSCc1ccncc1 240690a_100015525214_100000742635 [0,0,1,0,0,0|2,1,0]=4 541 B14R1.520 CCNC(=O)CSCc1ccncc1 527a_100015525214_100000742635 [0,0,1,0,0,0|2,1,0]=4 542 B14R1.520 CCNC(=O)CSCc1ccncc1 62a_100000183381_100015193705 [0,0,1,0,0,0|2,1,0]=4 543 B14R1.520 CCNC(=O)CSCc1ccncc1 62a_100015193705_100000183381 [0,0,1,0,0,0|2,1,0]=4 544 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100000106460_100015525214 [0,0,1,0,0,0|3,0,0]=4 545 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100015525214_100000106460 [0,0,1,0,0,0|3,0,0]=4 546 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100000106460_100015525214 [0,0,1,0,0,0|3,0,0]=4 547 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100015525214_100000106460 [0,0,1,0,0,0|3,0,0]=4 548 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100000106460_100015525214 [0,0,1,0,0,0|3,0,0]=4 549 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100015525214_100000106460 [0,0,1,0,0,0|3,0,0]=4 550 B14R1.520 CCNC(=O)NNCc1ccccc1 273464a_100015525214_100000007032 [0,0,1,0,0,0|3,0,0]=4 551 B14R1.520 CCNC(=O)NNCc1ccccc1 512a_100015525214_100000007032 [0,0,1,0,0,0|3,0,0]=4 552 B14R1.520 CCNC(C)COCc1ccccc1 270004a_100015525214_100011215004 [0,0,1,0,0,0|2,0,1]=4 553 B14R1.520 CCOC(=O)C=NNc1ccccc1 4a_100015195140_100000742314 [0,0,1,0,0,0|2,0,1]=4 554 B14R1.520 CCOC(=O)CCNc1ccccc1 34a_100000106764_100000765890 [0,0,1,0,0,0|2,0,0]=3 555 B14R1.520 CCOC(=O)CCOc1ccccc1 34a_100000210340_100000765890 [0,0,1,0,0,0|2,0,0]=3 556 B14R1.520 CCOC(=O)CCOc1ccccc1 7a_100000210340_100011206558 [0,0,1,0,0,0|2,0,0]=3 557 B14R1.520 CCOC(=O)CCOc1cccnc1 34a_100000210849_100000765890 [0,0,1,0,0,0|3,0,0]=4 558 B14R1.520 CCOC(=O)CCOc1cccnc1 7a_100000210849_100011206558 [0,0,1,0,0,0|3,0,0]=4 559 B14R1.520 CCOC(=O)CCOc1ccncc1 34a_100000212176_100000765890 [0,0,1,0,0,0|3,0,0]=4 560 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000719477_100000765890 [0,0,1,0,0,0|2,0,0]=3 561 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000765890_100000041952 [0,0,1,0,0,0|2,0,0]=3 562 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100000765890_100011216584 [0,0,1,0,0,0|3,0,0]=4 563 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100011216584_100000765890 [0,0,1,0,0,0|3,0,0]=4 564 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000210063_100000765890 [0,0,1,0,0,0|3,0,0]=4 565 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000765890_100000210063 [0,0,1,0,0,0|3,0,0]=4 566 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000728582_100000765890 [0,0,1,0,0,0|3,0,0]=4 567 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000765890_100000728582 [0,0,1,0,0,0|3,0,0]=4 568 B14R1.520 CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000188475 [0,0,1,0,0,0|1,0,0]=2 569 B14R1.520 CCOC(=O)CNCc1ccccc1 34a_100015324214_100000188475 [0,0,1,0,0,0|1,0,0]=2 570 B14R1.520 CCOC(=O)CNCc1cccnn1 2230a_100159270163_100000188475 [0,0,1,0,0,0|3,0,0]=4 571 B14R1.520 CCOC(=O)CNCc1cncnc1 2230a_100011243677_100000188475 [0,0,1,0,0,0|3,0,0]=4 572 B14R1.520 CCOC(=O)COCc1ccccc1 34a_100000210790_100000188475 [0,0,1,0,0,0|0,0,0]=1 573 B14R1.520 CCOC(=O)COCc1ccccc1 7a_100000210790_100000188475 [0,0,1,0,0,0|0,0,0]=1 574 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000188475_100015291786 [0,0,1,0,0,0|0,1,0]=2 575 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000211182_100000188475 [0,0,1,0,0,0|0,1,0]=2 576 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000188475_100000721315 [0,0,1,0,0,0|1,1,0]=3 577 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000721315_100000188475 [0,0,1,0,0,0|1,1,0]=3 578 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000188475_100000741622 [0,0,1,0,0,0|1,1,0]=3 579 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000741622_100000188475 [0,0,1,0,0,0|1,1,0]=3 580 B14R1.520 CCOC(=O)CSCc1cccnn1 62a_100000188475_100016990269 [0,0,1,0,0,0|2,1,0]=4 581 B14R1.520 CCOC(=O)CSCc1cccnn1 62a_100016990269_100000188475 [0,0,1,0,0,0|2,1,0]=4 582 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100000188475_100015193705 [0,0,1,0,0,0|1,1,0]=3 583 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100015193705_100000188475 [0,0,1,0,0,0|1,1,0]=3 584 B14R1.520 CCOC(=O)CSCc1cnccn1 62a_100000188475_100016995436 [0,0,1,0,0,0|2,1,0]=4 585 B14R1.520 CCOC(=O)CSCc1cnccn1 62a_100016995436_100000188475 [0,0,1,0,0,0|2,1,0]=4 586 B14R1.520 CCOC(=O)CSCc1cncnc1 62a_100000188475_100015196519 [0,0,1,0,0,0|2,1,0]=4 587 B14R1.520 CCOC(=O)CSCc1cncnc1 62a_100015196519_100000188475 [0,0,1,0,0,0|2,1,0]=4 588 B14R1.520 CCOC(=O)CSCc1ncccn1 62a_100000188475_100000703007 [0,0,1,0,0,0|2,1,0]=4 589 B14R1.520 CCOC(=O)CSCc1ncccn1 62a_100000703007_100000188475 [0,0,1,0,0,0|2,1,0]=4 590 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [0,0,1,0,0,0|3,0,0]=4 591 B14R1.520 CCOC(C)CCCc1ccccc1 34a_100121572206_200010759516 [0,0,1,0,0,0|2,0,1]=4 592 B14R1.520 CCOC(C)COCc1ccccc1 34a_100000764311_100000210202 [0,0,1,0,0,0|1,0,1]=3 593 B14R1.520 CCOC(C)COCc1ccccc1 7a_100000764311_100000210202 [0,0,1,0,0,0|1,0,1]=3 594 B14R1.520 CNCC(=O)NOCc1ccccc1 2230a_106832991635_100000230105 [0,0,1,0,0,0|3,0,0]=4 595 B14R1.520 CNCC(=O)NOCc1ccccc1 34a_100102657272_100000230105 [0,0,1,0,0,0|3,0,0]=4 596 B14R1.520 CNCC(=O)NOCc1ccccc1 7a_106832991635_100000230105 [0,0,1,0,0,0|3,0,0]=4 597 B14R1.520 CNNC(=O)CCCc1ccccc1 22a_100016993582_100011207963 [0,0,1,0,0,0|3,0,0]=4 598 B14R1.520 CNNC(=O)COCc1ccccc1 22a_100016993582_100000230186 [0,0,1,0,0,0|2,0,0]=3 599 B14R1.520 CNNC(=O)CSCc1ccccc1 22a_100016993582_100000150264 [0,0,1,0,0,0|2,1,0]=4 600 B14R1.520 COCC(=O)CCCc1ccccc1 1458a_100000210968_100000211621 [0,0,1,0,0,0|3,0,0]=4 601 B14R1.520 COCC(=O)CSCc1ccccc1 1458a_100000210968_200011217039 [0,0,1,0,0,0|2,1,0]=4 602 B14R1.520 COCC(=O)NOCc1ccccc1 34a_100138415774_100000230105 [0,0,1,0,0,0|3,0,0]=4 603 B14R1.520 CSCC(=O)CCCc1ccccc1 1458a_100000184570_100000211621 [0,0,1,0,0,0|3,0,0]=4 604 B14R1.520 CSCC(=O)CSCc1ccccc1 1458a_100000184570_200011217039 [0,0,1,0,0,0|2,1,0]=4 605 B14R1.520 CSCC(=O)NOCc1ccccc1 62a_100000230105_200000210301 [0,0,1,0,0,0|3,0,0]=4 606 B14R1.520 CSCC(=O)NOCc1ccccc1 62a_200000210301_100000230105 [0,0,1,0,0,0|3,0,0]=4 607 B14R1.520 N#CCC(=O)COCc1ccccc1 1458a_100000230186_100011214920 [0,0,1,0,0,0|2,0,1]=4 608 B14R1.520 O=C(CCF)CCCc1ccccc1 1458a_100011207963_100011217306 [0,0,1,0,0,0|3,0,0]=4 609 B14R1.520 O=C(CCF)COCc1ccccc1 1458a_100000230186_100011217306 [0,0,1,0,0,0|2,0,0]=3 610 B14R1.520 O=C(CCF)CSCc1ccccc1 1458a_100000150264_100011217306 [0,0,1,0,0,0|2,1,0]=4 611 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011207963_100000211926 [0,0,1,0,0,0|3,0,0]=4 612 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011216618_100000211621 [0,0,1,0,0,0|3,0,0]=4 613 B14R1.520 O=C(CCO)COCc1ccccc1 1458a_100000230186_100000211926 [0,0,1,0,0,0|2,0,0]=3 614 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100000150264_100000211926 [0,0,1,0,0,0|2,1,0]=4 615 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100011216618_200011217039 [0,0,1,0,0,0|2,1,0]=4 616 B14R1.520 O=C(CNCc1ccccc1)NCO 2230a_100015324214_100000185155 [0,0,1,0,0,0|3,0,0]=4 617 B14R1.520 O=C(CNCc1ccccc1)NCO 34a_100015324214_100000185155 [0,0,1,0,0,0|3,0,0]=4 618 B14R1.520 O=C(COCc1ccccc1)NCO 34a_100000210790_100000185155 [0,0,1,0,0,0|2,0,0]=3 619 B14R1.520 O=C(COCc1ccccc1)NCO 7a_100000210790_100000185155 [0,0,1,0,0,0|2,0,0]=3 620 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000185155_100015291786 [0,0,1,0,0,0|2,1,0]=4 621 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000211182_100000185155 [0,0,1,0,0,0|2,1,0]=4 622 B14R1.520 [13CH3]SCC(=O)NOCc1ccccc1 62a_100000230105_200025704644 [0,0,1,0,0,0|3,0,0]=4 623 B14R1.520 [13CH3]SCC(=O)NOCc1ccccc1 62a_200025704644_100000230105 [0,0,1,0,0,0|3,0,0]=4 624 B14R2.9811 CCOC(=O)C1CC1c2c[nH]cn2 271570a_100010780539_100000756875 [0,0,0,0,1,0|3,0,0]=4 625 B14R2.9811 CCOC(=O)C1CC1c2cc[nH]n2 271570a_100010780539_100000062575 [0,0,0,0,1,0|3,0,0]=4 626 B14R2.9811 CCOC(=O)C1CC1c2ccco2 271570a_100010780539_100009814098 [0,0,0,0,1,0|2,0,0]=3 627 B14R2.9811 CCOC(=O)C1CC1c2cccs2 271570a_100010780539_100011215356 [0,0,0,0,1,0|2,0,0]=3 628 B14R2.9811 CCOC(=O)C1CC1c2ccoc2 271570a_100010780539_100011215275 [0,0,0,0,1,0|2,0,0]=3 629 B14R2.9811 CCOC(=O)C1CC1c2ccsc2 271570a_100010780539_100000738268 [0,0,0,0,1,0|2,0,0]=3 630 B14R2.9811 CCOC(=O)C1CC1c2ccsn2 271570a_100010780539_100009818082 [0,0,0,0,1,0|3,0,0]=4 631 B14R2.9811 CCOC(=O)C1CC1c2cn[nH]c2 271570a_100010780539_100000238712 [0,0,0,0,1,0|3,0,0]=4 632 B14R2.9811 CCOC(=O)C1CC1c2cnco2 271570a_100010780539_100020591547 [0,0,0,0,1,0|3,0,0]=4 633 B14R2.9811 CCOC(=O)C1CC1c2cncs2 271570a_100010780539_100011934649 [0,0,0,0,1,0|3,0,0]=4 634 B14R2.9811 CCOC(=O)C1CC1c2cnoc2 271570a_100010780539_100009815712 [0,0,0,0,1,0|3,0,0]=4 635 B14R2.9811 CCOC(=O)C1CC1c2cnsc2 271570a_100010780539_100009815736 [0,0,0,0,1,0|3,0,0]=4 636 B14R2.9811 CCOC(=O)C1CC1c2cscn2 271570a_100010780539_100000751502 [0,0,0,0,1,0|3,0,0]=4 637 B14R2.9811 CCOC(=O)C1CC1c2ncc[nH]2 271570a_100010780539_100025796157 [0,0,0,0,1,0|3,0,0]=4 638 B14R2.9811 CCOC(=O)C1CC1c2ncco2 271570a_100010780539_100011787736 [0,0,0,0,1,0|3,0,0]=4 639 B14R2.9811 CCOC(=O)C1CC1c2nccs2 271570a_100010780539_100000211983 [0,0,0,0,1,0|3,0,0]=4 640 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100000211992 [0,0,0,0,0,1|3,0,0]=4 641 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100000211992 [0,0,0,0,0,1|3,0,0]=4 642 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100000211992 [0,0,0,0,0,1|3,0,0]=4 643 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100000211992 [0,0,0,0,0,1|3,0,0]=4 644 B16R2.725 CCNC(=O)N1C[C@@H]1Cc2ccccc2 2708a_100015525214_100016998360 [0,0,0,0,0,1|3,0,0]=4 645 B16R2.725 CCNC(=O)N1C[C@@H]1Cc2ccccc2 273464a_100015525214_100016998360 [0,0,0,0,0,1|3,0,0]=4 646 B16R2.762 CCCC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000210303 [0,0,0,0,0,1|2,0,0]=3 647 B16R2.762 CCNC(=O)C1CC(C1)c2ccccc2 11a_100015525214_100000746226 [0,0,0,0,0,1|2,0,0]=3 648 B16R2.762 CCNC(=O)C1CC(C1)c2ccccc2 240690a_100015525214_100000746226 [0,0,0,0,0,1|2,0,0]=3 649 B16R2.762 CCNC(=O)C1CC(C1)c2ccccc2 527a_100015525214_100000746226 [0,0,0,0,0,1|2,0,0]=3 650 B16R2.762 CNNC(=O)C1CC(C1)c2ccccc2 22a_100016993582_100000746226 [0,0,0,0,0,1|3,0,0]=4 651 B16R2.762 O=C(CCF)C1CC(C1)c2ccccc2 1458a_100000746226_100011217306 [0,0,0,0,0,1|3,0,0]=4 652 B16R2.762 O=C(CCO)C1CC(C1)c2ccccc2 1458a_100000746226_100000211926 [0,0,0,0,0,1|3,0,0]=4 653 B16R2.766 CCCC(=O)N1CCC1c2ccccc2 11a_100000739605_100000211992 [0,0,0,0,0,1|3,0,0]=4 654 B16R2.766 CCCC(=O)N1CCC1c2ccccc2 1626a_100000739605_100000211992 [0,0,0,0,0,1|3,0,0]=4 655 B16R2.766 CCCC(=O)N1CCC1c2ccccc2 240690a_100000739605_100000211992 [0,0,0,0,0,1|3,0,0]=4 656 B16R2.766 CCCC(=O)N1CCC1c2ccccc2 527a_100000739605_100000211992 [0,0,0,0,0,1|3,0,0]=4 657 B16R2.766 CCNC(=O)N1CCC1c2ccccc2 2708a_100015525214_100000739605 [0,0,0,0,0,1|3,0,0]=4 658 B16R2.766 CCNC(=O)N1CCC1c2ccccc2 273464a_100015525214_100000739605 [0,0,0,0,0,1|3,0,0]=4 659 B16R2.789 CC=CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000210699 [0,0,0,0,0,1|2,0,1]=4 660 B16R2.789 CC=CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000210699 [0,0,0,0,0,1|2,0,1]=4 661 B16R2.789 CC=CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000210699 [0,0,0,0,0,1|2,0,1]=4 662 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000211992 [0,0,0,0,0,1|2,0,0]=3 663 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000211992 [0,0,0,0,0,1|2,0,0]=3 664 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000211992 [0,0,0,0,0,1|2,0,0]=3 665 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000211992 [0,0,0,0,0,1|2,0,0]=3 666 B16R2.789 CCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100015525214_100020588832 [0,0,0,0,0,1|2,0,0]=3 667 B16R2.789 CCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020588832_100015525214 [0,0,0,0,0,1|2,0,0]=3 668 B16R2.789 CCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100015525214 [0,0,0,0,0,1|2,0,0]=3 669 B16R2.789 CCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100015525214_100020588832 [0,0,0,0,0,1|2,0,0]=3 670 B16R2.789 CCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100015525214 [0,0,0,0,0,1|2,0,0]=3 671 B16R2.789 CNNC(=O)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100016993582 [0,0,0,0,0,1|3,0,0]=4 672 B16R2.789 CNNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100016993582_100020588832 [0,0,0,0,0,1|3,0,0]=4 673 B16R2.789 CNNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100016993582 [0,0,0,0,0,1|3,0,0]=4 674 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000210968 [0,0,0,0,0,1|3,0,0]=4 675 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000210968 [0,0,0,0,0,1|3,0,0]=4 676 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000210968 [0,0,0,0,0,1|3,0,0]=4 677 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000210968 [0,0,0,0,0,1|3,0,0]=4 678 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000184570 [0,0,0,0,0,1|3,0,0]=4 679 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000184570 [0,0,0,0,0,1|3,0,0]=4 680 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000184570 [0,0,0,0,0,1|3,0,0]=4 681 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000184570 [0,0,0,0,0,1|3,0,0]=4 682 B16R2.789 O=C(CCO)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100011216618 [0,0,0,0,0,1|3,0,0]=4 683 B13R1.11 C#CC(=O)CC(O)c1ccccc1 1458a_100000211873_100000185958 [1,0,1,0,0,0|0,0,2]=4 684 B13R1.11 C#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000211873_100011933945 [1,0,1,0,0,0|0,0,2]=4 685 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [1,0,1,0,0,0|0,0,2]=4 686 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [1,0,1,0,0,0|0,0,2]=4 687 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [1,0,1,0,0,0|2,0,0]=4 688 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [1,0,1,0,0,0|2,0,0]=4 689 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [1,0,1,0,0,0|0,0,2]=4 690 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [1,0,1,0,0,0|0,0,2]=4 691 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [1,0,1,0,0,0|1,0,0]=3 692 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [1,0,1,0,0,0|1,0,0]=3 693 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [1,0,1,0,0,0|0,0,0]=2 694 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [1,0,1,0,0,0|0,0,0]=2 695 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [1,0,1,0,0,0|2,0,0]=4 696 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [1,0,1,0,0,0|2,0,0]=4 697 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [1,0,1,0,0,0|0,0,0]=2 698 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [1,0,1,0,0,0|2,0,0]=4 699 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [1,0,1,0,0,0|2,0,0]=4 700 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [1,0,1,0,0,0|2,0,0]=4 701 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [1,0,1,0,0,0|2,0,0]=4 702 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [1,0,1,0,0,0|2,0,0]=4 703 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [1,0,1,0,0,0|2,0,0]=4 704 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [1,0,1,0,0,0|2,0,0]=4 705 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [1,0,1,0,0,0|2,0,0]=4 706 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [1,0,1,0,0,0|2,0,0]=4 707 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [1,0,1,0,0,0|2,0,0]=4 708 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [1,0,1,0,0,0|2,0,0]=4 709 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [1,0,1,0,0,0|2,0,0]=4 710 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [1,0,1,0,0,0|1,0,0]=3 711 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [1,0,1,0,0,0|0,0,2]=4 712 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [1,0,1,0,0,0|2,0,0]=4 713 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [1,0,1,0,0,0|2,0,0]=4 714 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [1,0,1,0,0,0|2,0,0]=4 715 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [1,0,1,0,0,0|2,0,0]=4 716 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [1,0,1,0,0,0|2,0,0]=4 717 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [1,0,1,0,0,0|2,0,0]=4 718 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [1,0,1,0,0,0|2,0,0]=4 719 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [1,0,1,0,0,0|1,0,0]=3 720 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [1,0,1,0,0,0|1,0,0]=3 721 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [1,0,1,0,0,0|1,0,0]=3 722 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [1,0,1,0,0,0|2,0,0]=4 723 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [1,0,1,0,0,0|2,0,0]=4 724 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [1,0,1,0,0,0|2,0,0]=4 725 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [1,0,1,0,0,0|2,0,0]=4 726 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [1,0,1,0,0,0|2,0,0]=4 727 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [1,0,1,0,0,0|2,0,0]=4 728 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [1,0,1,0,0,0|2,0,0]=4 729 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [1,0,1,0,0,0|1,0,1]=4 730 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [1,0,1,0,0,0|1,0,1]=4 731 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [1,0,1,0,0,0|0,0,1]=3 732 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [1,0,1,0,0,0|1,0,1]=4 733 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [1,0,1,0,0,0|0,1,1]=4 734 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [1,0,1,0,0,0|0,1,1]=4 735 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [1,0,1,0,0,0|1,0,1]=4 736 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [1,0,1,0,0,0|1,0,1]=4 737 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [1,0,1,0,0,0|1,0,0]=3 738 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [1,0,1,0,0,0|1,0,0]=3 739 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [1,0,1,0,0,0|2,0,0]=4 740 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [1,0,1,0,0,0|2,0,0]=4 741 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [1,0,1,0,0,0|2,0,0]=4 742 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [1,0,1,0,0,0|2,0,0]=4 743 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [1,0,1,0,0,0|2,0,0]=4 744 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [1,0,1,0,0,0|2,0,0]=4 745 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [1,0,1,0,0,0|2,0,0]=4 746 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [1,0,1,0,0,0|2,0,0]=4 747 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [1,0,1,0,0,0|2,0,0]=4 748 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [1,0,1,0,0,0|2,0,0]=4 749 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [1,0,1,0,0,0|2,0,0]=4 750 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [1,0,1,0,0,0|2,0,0]=4 751 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [1,0,1,0,0,0|2,0,0]=4 752 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [1,0,1,0,0,0|2,0,0]=4 753 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [1,0,1,0,0,0|2,0,0]=4 754 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [1,0,1,0,0,0|1,0,0]=3 755 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [1,0,1,0,0,0|1,0,0]=3 756 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [1,0,1,0,0,0|1,0,0]=3 757 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [1,0,1,0,0,0|2,0,0]=4 758 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [1,0,1,0,0,0|2,0,0]=4 759 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [1,0,1,0,0,0|2,0,0]=4 760 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [1,0,1,0,0,0|2,0,0]=4 761 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [1,0,1,0,0,0|2,0,0]=4 762 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [1,0,1,0,0,0|2,0,0]=4 763 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [1,0,1,0,0,0|2,0,0]=4 764 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [1,0,1,0,0,0|2,0,0]=4 765 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [1,0,1,0,0,0|2,0,0]=4 766 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [1,0,1,0,0,0|2,0,0]=4 767 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [1,0,1,0,0,0|2,0,0]=4 768 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [1,0,1,0,0,0|2,0,0]=4 769 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [1,0,1,0,0,0|2,0,0]=4 770 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [1,0,1,0,0,0|2,0,0]=4 771 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [1,0,1,0,0,0|2,0,0]=4 772 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [1,0,1,0,0,0|2,0,0]=4 773 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [1,0,1,0,0,0|2,0,0]=4 774 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [1,0,1,0,0,0|2,0,0]=4 775 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [1,0,1,0,0,0|2,0,0]=4 776 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [1,0,1,0,0,0|2,0,0]=4 777 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [1,0,1,0,0,0|2,0,0]=4 778 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [1,0,1,0,0,0|2,0,0]=4 779 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [1,0,1,0,0,0|2,0,0]=4 780 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [1,0,1,0,0,0|2,0,0]=4 781 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [1,0,1,0,0,0|2,0,0]=4 782 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [1,0,1,0,0,0|2,0,0]=4 783 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [1,0,1,0,0,0|0,0,2]=4 784 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [1,0,1,0,0,0|1,0,0]=3 785 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [1,0,1,0,0,0|1,0,0]=3 786 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [1,0,1,0,0,0|1,0,0]=3 787 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [1,0,1,0,0,0|2,0,0]=4 788 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [1,0,1,0,0,0|2,0,0]=4 789 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [1,0,1,0,0,0|2,0,0]=4 790 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [1,0,1,0,0,0|1,0,0]=3 791 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [1,0,1,0,0,0|1,0,0]=3 792 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [1,0,1,0,0,0|2,0,0]=4 793 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [1,0,1,0,0,0|2,0,0]=4 794 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [1,0,1,0,0,0|2,0,0]=4 795 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [1,0,1,0,0,0|2,0,0]=4 796 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [1,0,1,0,0,0|2,0,0]=4 797 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [1,0,1,0,0,0|2,0,0]=4 798 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [1,0,1,0,0,0|1,0,1]=4 799 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [1,0,1,0,0,0|1,0,1]=4 800 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [1,0,1,0,0,0|2,0,0]=4 801 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [1,0,1,0,0,0|2,0,0]=4 802 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [1,0,1,0,0,0|2,0,0]=4 803 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [1,0,1,0,0,0|2,0,0]=4 804 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [1,0,1,0,0,0|2,0,0]=4 805 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [1,0,1,0,0,0|2,0,0]=4 806 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [1,0,1,0,0,0|2,0,0]=4 807 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [1,0,1,0,0,0|2,0,0]=4 808 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [1,0,1,0,0,0|2,0,0]=4 809 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [1,0,1,0,0,0|2,0,0]=4 810 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [1,0,1,0,0,0|2,0,0]=4 811 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [1,0,1,0,0,0|2,0,0]=4 812 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [1,0,1,0,0,0|2,0,0]=4 813 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [1,0,1,0,0,0|2,0,0]=4 814 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [1,0,1,0,0,0|1,0,1]=4 815 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [1,0,1,0,0,0|1,0,1]=4 816 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [1,0,1,0,0,0|1,0,1]=4 817 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [1,0,1,0,0,0|1,0,1]=4 818 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [1,0,1,0,0,0|1,0,1]=4 819 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [1,0,1,0,0,0|0,0,1]=3 820 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [1,0,1,0,0,0|0,1,1]=4 821 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [1,0,1,0,0,0|0,1,1]=4 822 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [1,0,1,0,0,0|2,0,0]=4 823 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [1,0,1,0,0,0|2,0,0]=4 824 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [1,0,1,0,0,0|1,0,0]=3 825 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [1,0,1,0,0,0|1,0,0]=3 826 B13R1.135 CCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210202 [1,0,1,0,0,0|2,0,0]=4 827 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [1,0,1,0,0,0|2,0,0]=4 828 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [1,0,1,0,0,0|2,0,0]=4 829 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [1,0,1,0,0,0|2,0,0]=4 830 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [1,0,1,0,0,0|2,0,0]=4 831 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [1,0,1,0,0,0|2,0,0]=4 832 B13R1.135 CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210414 [1,0,1,0,0,0|2,0,0]=4 833 B13R1.135 CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210414 [1,0,1,0,0,0|2,0,0]=4 834 B13R1.135 CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210414 [1,0,1,0,0,0|2,0,0]=4 835 B13R1.135 CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210414 [1,0,1,0,0,0|2,0,0]=4 836 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [1,0,1,0,0,0|0,0,0]=2 837 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [1,0,1,0,0,0|2,0,0]=4 838 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [1,0,1,0,0,0|2,0,0]=4 839 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [1,0,1,0,0,0|2,0,0]=4 840 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [1,0,1,0,0,0|2,0,0]=4 841 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [1,0,1,0,0,0|1,0,0]=3 842 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [1,0,1,0,0,0|2,0,0]=4 843 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [1,0,1,0,0,0|2,0,0]=4 844 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [1,0,1,0,0,0|2,0,0]=4 845 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [1,0,1,0,0,0|2,0,0]=4 846 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [1,0,1,0,0,0|2,0,0]=4 847 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [1,0,1,0,0,0|1,0,0]=3 848 B13R1.28 CC/C=C\CNCc1ccccc1 2230a_100015324214_100103147603 [1,0,1,0,0,0|2,0,0]=4 849 B13R1.28 CC/C=C\CNCc1ccccc1 34a_100015324214_100103147603 [1,0,1,0,0,0|2,0,0]=4 850 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [1,0,1,0,0,0|1,0,0]=3 851 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [1,0,1,0,0,0|1,0,0]=3 852 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [1,0,1,0,0,0|1,0,0]=3 853 B13R1.28 CC/C=C\COCc1ccccn1 34a_100016268518_100000721315 [1,0,1,0,0,0|2,0,0]=4 854 B13R1.28 CC/C=C\COCc1cccnc1 34a_100016268518_100000733263 [1,0,1,0,0,0|2,0,0]=4 855 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100000211182_100103147603 [1,0,1,0,0,0|1,1,0]=4 856 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100103147603_100015291786 [1,0,1,0,0,0|1,1,0]=4 857 B13R1.28 CCC#CCOCc1ccccc1 34a_100000032950_100015291786 [1,0,1,0,0,0|1,0,1]=4 858 B13R1.28 CCC#CCOCc1ccccc1 34a_100000210790_100009813939 [1,0,1,0,0,0|1,0,1]=4 859 B13R1.28 CCC#CCOCc1ccccc1 7a_100000210790_100009813939 [1,0,1,0,0,0|1,0,1]=4 860 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [1,0,1,0,0,0|1,0,1]=4 861 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [1,0,1,0,0,0|1,0,1]=4 862 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [1,0,1,0,0,0|1,0,1]=4 863 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [1,0,1,0,0,0|1,0,1]=4 864 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [1,0,1,0,0,0|2,0,0]=4 865 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [1,0,1,0,0,0|2,0,0]=4 866 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [1,0,1,0,0,0|2,0,0]=4 867 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [1,0,1,0,0,0|1,0,1]=4 868 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [1,0,1,0,0,0|1,0,1]=4 869 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [1,0,1,0,0,0|1,0,1]=4 870 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [1,0,1,0,0,0|1,0,1]=4 871 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [1,0,1,0,0,0|1,0,1]=4 872 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [1,0,1,0,0,0|1,0,1]=4 873 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [1,0,1,0,0,0|1,0,1]=4 874 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [1,0,1,0,0,0|1,0,1]=4 875 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [1,0,1,0,0,0|1,0,1]=4 876 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [1,0,1,0,0,0|1,0,1]=4 877 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [1,0,1,0,0,0|1,0,1]=4 878 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [1,0,1,0,0,0|1,0,1]=4 879 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [1,0,1,0,0,0|1,0,1]=4 880 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [1,0,1,0,0,0|0,0,1]=3 881 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [1,0,1,0,0,0|0,0,1]=3 882 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [1,0,1,0,0,0|0,0,1]=3 883 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [1,0,1,0,0,0|0,0,1]=3 884 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [1,0,1,0,0,0|0,0,1]=3 885 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [1,0,1,0,0,0|0,0,1]=3 886 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [1,0,1,0,0,0|0,0,1]=3 887 B13R1.28 CCOCCOCc1ccccn1 34a_100000210136_100000721315 [1,0,1,0,0,0|1,0,1]=4 888 B13R1.28 CCOCCOCc1ccccn1 7a_100000210136_100000721315 [1,0,1,0,0,0|1,0,1]=4 889 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [1,0,1,0,0,0|1,0,1]=4 890 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [1,0,1,0,0,0|1,0,1]=4 891 B13R1.28 CCOCCOCc1ccncc1 7a_100000210136_100015193705 [1,0,1,0,0,0|1,0,1]=4 892 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [1,0,1,0,0,0|0,1,1]=4 893 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [1,0,1,0,0,0|0,1,1]=4 894 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [1,0,1,0,0,0|0,1,1]=4 895 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [1,0,1,0,0,0|0,1,1]=4 896 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [1,0,1,0,0,0|0,1,1]=4 897 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [1,0,1,0,0,0|0,1,1]=4 898 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [1,0,1,0,0,0|0,1,1]=4 899 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [1,0,1,0,0,0|0,1,1]=4 900 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [1,0,1,0,0,0|0,1,1]=4 901 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [1,0,1,0,0,0|0,1,1]=4 902 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [1,0,1,0,0,0|0,1,1]=4 903 B13R1.28 FCOCCOCc1ccccc1 34a_100000759325_100015361967 [1,0,1,0,0,0|1,0,1]=4 904 B13R1.28 FCOCCOCc1ccccc1 7a_100000759325_100015361967 [1,0,1,0,0,0|1,0,1]=4 905 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [1,0,1,0,0,0|1,0,1]=4 906 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [1,0,1,0,0,0|1,0,1]=4 907 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [1,0,1,0,0,0|1,0,1]=4 908 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [1,0,1,0,0,0|1,0,1]=4 909 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [1,0,1,0,0,0|1,0,1]=4 910 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [1,0,1,0,0,0|1,0,0]=3 911 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [1,0,1,0,0,0|1,0,0]=3 912 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [1,0,1,0,0,0|2,0,0]=4 913 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [1,0,1,0,0,0|2,0,0]=4 914 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [1,0,1,0,0,0|2,0,0]=4 915 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [1,0,1,0,0,0|2,0,0]=4 916 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [1,0,1,0,0,0|2,0,0]=4 917 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [1,0,1,0,0,0|2,0,0]=4 918 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [1,0,1,0,0,0|0,0,0]=2 919 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [1,0,1,0,0,0|0,0,0]=2 920 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [1,0,1,0,0,0|0,0,0]=2 921 B13R1.718 CCC(=O)COCc1ccccn1 34a_100000725409_100000721315 [1,0,1,0,0,0|1,0,0]=3 922 B13R1.718 CCC(=O)COCc1cccnc1 34a_100000725409_100000733263 [1,0,1,0,0,0|1,0,0]=3 923 B13R1.718 CCC(=O)COCc1cccnn1 34a_100000725409_100016990269 [1,0,1,0,0,0|2,0,0]=4 924 B13R1.718 CCC(=O)COCc1cnccn1 34a_100000725409_100016995436 [1,0,1,0,0,0|2,0,0]=4 925 B13R1.718 CCC(=O)COCc1cncnc1 34a_100000725409_100015196519 [1,0,1,0,0,0|2,0,0]=4 926 B13R1.718 CCC(=O)COCc1ncccn1 34a_100000725409_100000703007 [1,0,1,0,0,0|2,0,0]=4 927 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [1,0,1,0,0,0|0,1,0]=3 928 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [1,0,1,0,0,0|0,1,0]=3 929 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [1,0,1,0,0,0|0,1,0]=3 930 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [1,0,1,0,0,0|0,1,0]=3 931 B13R1.718 CCC(=O)CSCc1ccccn1 1458a_100000742634_100000210202 [1,0,1,0,0,0|1,1,0]=4 932 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000721315_100000747405 [1,0,1,0,0,0|1,1,0]=4 933 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000747405_100000721315 [1,0,1,0,0,0|1,1,0]=4 934 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000741622_100000747405 [1,0,1,0,0,0|1,1,0]=4 935 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000747405_100000741622 [1,0,1,0,0,0|1,1,0]=4 936 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100000747405_100015193705 [1,0,1,0,0,0|1,1,0]=4 937 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100015193705_100000747405 [1,0,1,0,0,0|1,1,0]=4 938 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [1,0,1,0,0,0|2,0,0]=4 939 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [1,0,1,0,0,0|2,0,0]=4 940 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [1,0,1,0,0,0|2,0,0]=4 941 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [1,0,1,0,0,0|2,0,0]=4 942 B13R1.718 CCC(=O)NNCc1ccccc1 22a_100000007032_100000210414 [1,0,1,0,0,0|2,0,0]=4 943 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [1,0,1,0,0,0|1,0,1]=4 944 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [1,0,1,0,0,0|1,0,1]=4 945 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [1,0,1,0,0,0|0,0,2]=4 946 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [1,0,1,0,0,0|0,0,2]=4 947 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [1,0,1,0,0,0|2,0,0]=4 948 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [1,0,1,0,0,0|1,0,1]=4 949 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [1,0,1,0,0,0|1,0,1]=4 950 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [1,0,1,0,0,0|1,0,1]=4 951 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [1,0,1,0,0,0|2,0,0]=4 952 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [1,0,1,0,0,0|2,0,0]=4 953 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [1,0,1,0,0,0|2,0,0]=4 954 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [1,0,1,0,0,0|2,0,0]=4 955 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [1,0,1,0,0,0|2,0,0]=4 956 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [1,0,1,0,0,0|2,0,0]=4 957 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [1,0,1,0,0,0|2,0,0]=4 958 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [1,0,1,0,0,0|2,0,0]=4 959 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [1,0,1,0,0,0|2,0,0]=4 960 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [1,0,1,0,0,0|1,0,0]=3 961 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [1,0,1,0,0,0|1,0,0]=3 962 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [1,0,1,0,0,0|1,0,0]=3 963 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [1,0,1,0,0,0|1,0,0]=3 964 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [1,0,1,0,0,0|1,0,0]=3 965 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [1,0,1,0,0,0|1,0,0]=3 966 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [1,0,1,0,0,0|1,0,0]=3 967 B13R1.718 CNC(=O)COCc1ccccn1 34a_100000750040_100000721315 [1,0,1,0,0,0|2,0,0]=4 968 B13R1.718 CNC(=O)COCc1cccnc1 34a_100000750040_100000733263 [1,0,1,0,0,0|2,0,0]=4 969 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [1,0,1,0,0,0|1,1,0]=4 970 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [1,0,1,0,0,0|1,1,0]=4 971 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [1,0,1,0,0,0|1,1,0]=4 972 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [1,0,1,0,0,0|1,1,0]=4 973 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [1,0,1,0,0,0|1,1,0]=4 974 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [1,0,1,0,0,0|1,1,0]=4 975 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [1,0,1,0,0,0|2,0,0]=4 976 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [1,0,1,0,0,0|2,0,0]=4 977 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [1,0,1,0,0,0|2,0,0]=4 978 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [1,0,1,0,0,0|2,0,0]=4 979 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [1,0,1,0,0,0|2,0,0]=4 980 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [1,0,1,0,0,0|1,0,0]=3 981 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [1,0,1,0,0,0|1,0,0]=3 982 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [1,0,1,0,0,0|0,0,0]=2 983 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [1,0,1,0,0,0|0,0,0]=2 984 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [1,0,1,0,0,0|0,1,0]=3 985 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [1,0,1,0,0,0|0,1,0]=3 986 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [1,0,1,0,0,0|1,1,0]=4 987 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [1,0,1,0,0,0|1,1,0]=4 988 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [1,0,1,0,0,0|1,1,0]=4 989 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [1,0,1,0,0,0|1,1,0]=4 990 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [1,0,1,0,0,0|1,1,0]=4 991 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [1,0,1,0,0,0|1,1,0]=4 992 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [1,0,1,0,0,0|1,0,1]=4 993 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [1,0,1,0,0,0|1,0,1]=4 994 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [1,0,1,0,0,0|1,0,1]=4 995 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [1,0,1,0,0,0|2,0,0]=4 996 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [1,0,1,0,0,0|1,0,0]=3 997 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [1,0,1,0,0,0|1,1,0]=4 998 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [1,0,1,0,0,0|2,0,0]=4 999 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [1,0,1,0,0,0|1,1,0]=4 1000 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [2,0,0,0,0,0|2,0,0]=4 1001 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [2,0,0,0,0,0|2,0,0]=4 1002 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [2,0,0,0,0,0|1,0,1]=4 1003 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [2,0,0,0,0,0|1,0,1]=4 1004 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [2,0,0,0,0,0|0,0,1]=3 1005 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [2,0,0,0,0,0|0,0,1]=3 1006 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [2,0,0,0,0,0|1,0,1]=4 1007 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [2,0,0,0,0,0|1,0,1]=4 1008 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [2,0,0,0,0,0|0,0,1]=3 1009 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [2,0,0,0,0,0|0,0,1]=3 1010 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [2,0,0,0,0,0|2,0,0]=4 1011 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [2,0,0,0,0,0|1,0,0]=3 1012 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [2,0,0,0,0,0|2,0,0]=4 1013 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [2,0,0,0,0,0|1,0,0]=3 1014 B15R1.23 CC#CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000763181_200011996143 [0,1,1,0,0,0|1,0,1]=4 1015 B15R1.23 CC#CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000763181_100000720402 [0,1,1,0,0,0|1,0,1]=4 1016 B15R1.23 CC=CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210699_200011996143 [0,1,1,0,0,0|1,0,1]=4 1017 B15R1.23 CC=CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210699_100000720402 [0,1,1,0,0,0|1,0,1]=4 1018 B15R1.23 CCCC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000210303 [0,1,1,0,0,0|2,0,0]=4 1019 B15R1.23 CCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000211992_200011996143 [0,1,1,0,0,0|1,0,0]=3 1020 B15R1.23 CCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000211992_100000720402 [0,1,1,0,0,0|1,0,0]=3 1021 B15R1.23 CCNC(=O)CC(C)c1ccc(cc1)C 11a_100015525214_100011240733 [0,1,1,0,0,0|2,0,0]=4 1022 B15R1.23 CCNC(=O)CC(C)c1ccc(cc1)C 240690a_100015525214_100011240733 [0,1,1,0,0,0|2,0,0]=4 1023 B15R1.23 CCNC(=O)CC(C)c1ccc(cc1)C 527a_100015525214_100011240733 [0,1,1,0,0,0|2,0,0]=4 1024 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000188475 [0,1,1,0,0,0|0,0,2]=4 1025 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000188475 [0,1,1,0,0,0|0,0,2]=4 1026 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000188475 [0,1,1,0,0,0|0,0,2]=4 1027 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000188475 [0,1,1,0,0,0|0,0,2]=4 1028 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000188475 [0,1,1,0,0,0|0,0,2]=4 1029 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000188475 [0,1,1,0,0,0|0,0,2]=4 1030 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100011248966 [0,1,1,0,0,0|0,0,2]=4 1031 B15R1.23 CCOC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000750415 [0,1,1,0,0,0|1,0,0]=3 1032 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000188475 [0,1,1,0,0,0|2,0,0]=4 1033 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 2230a_200000219622_200000210301 [0,1,1,0,0,0|2,0,0]=4 1034 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000188475 [0,1,1,0,0,0|2,0,0]=4 1035 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 269982a_200000219622_200000210301 [0,1,1,0,0,0|2,0,0]=4 1036 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000188475 [0,1,1,0,0,0|2,0,0]=4 1037 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219976_200000210301 [0,1,1,0,0,0|2,0,0]=4 1038 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000188475 [0,1,1,0,0,0|2,0,0]=4 1039 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219976_200000210301 [0,1,1,0,0,0|2,0,0]=4 1040 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000188475 [0,1,1,0,0,0|2,0,0]=4 1041 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000188475 [0,1,1,0,0,0|2,0,0]=4 1042 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000188475 [0,1,1,0,0,0|2,0,0]=4 1043 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_200000220156_200000210301 [0,1,1,0,0,0|2,0,0]=4 1044 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000188475 [0,1,1,0,0,0|2,0,0]=4 1045 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_200000220156_200000210301 [0,1,1,0,0,0|2,0,0]=4 1046 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000188475 [0,1,1,0,0,0|2,0,0]=4 1047 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000188475 [0,1,1,0,0,0|2,0,0]=4 1048 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000188475 [0,1,1,0,0,0|2,0,0]=4 1049 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000188475 [0,1,1,0,0,0|2,0,0]=4 1050 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000188475 [0,1,1,0,0,0|2,0,0]=4 1051 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 2230a_200000220479_200000210301 [0,1,1,0,0,0|2,0,0]=4 1052 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000188475 [0,1,1,0,0,0|2,0,0]=4 1053 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 269982a_200000220479_200000210301 [0,1,1,0,0,0|2,0,0]=4 1054 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000188475 [0,1,1,0,0,0|2,0,0]=4 1055 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000188475 [0,1,1,0,0,0|2,0,0]=4 1056 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000188475 [0,1,1,0,0,0|2,0,0]=4 1057 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Br 2230a_200000219622_200025704644 [0,1,1,0,0,0|2,0,0]=4 1058 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Br 269982a_200000219622_200025704644 [0,1,1,0,0,0|2,0,0]=4 1059 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)C 2230a_100000219976_200025704644 [0,1,1,0,0,0|2,0,0]=4 1060 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)C 269982a_100000219976_200025704644 [0,1,1,0,0,0|2,0,0]=4 1061 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Cl 2230a_200000220156_200025704644 [0,1,1,0,0,0|2,0,0]=4 1062 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Cl 269982a_200000220156_200025704644 [0,1,1,0,0,0|2,0,0]=4 1063 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)I 2230a_200000220479_200025704644 [0,1,1,0,0,0|2,0,0]=4 1064 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)I 269982a_200000220479_200025704644 [0,1,1,0,0,0|2,0,0]=4 1065 B15R1.23 COCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210968_200011996143 [0,1,1,0,0,0|2,0,0]=4 1066 B15R1.23 COCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210968_100000720402 [0,1,1,0,0,0|2,0,0]=4 1067 B15R1.23 CSCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000184570_200011996143 [0,1,1,0,0,0|2,0,0]=4 1068 B15R1.23 CSCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000184570_100000720402 [0,1,1,0,0,0|2,0,0]=4 1069 B15R1.23 O=C(CCO)CC(O)c1ccc(cc1)Cl 1458a_100011216618_200011996143 [0,1,1,0,0,0|2,0,0]=4 1070 B15R1.23 O=C(CCO)C[C@H](O)c1ccc(cc1)F 1458a_100011216618_100000720402 [0,1,1,0,0,0|2,0,0]=4 1071 B15R1.24 CCCC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000210303 [0,1,1,0,0,0|1,0,0]=3 1072 B15R1.24 CCNC(=O)C[C@H](O)c1cccc(c1)Cl 240690a_100015525214_100010423400 [0,1,1,0,0,0|1,0,0]=3 1073 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000188475 [0,1,1,0,0,0|0,0,2]=4 1074 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000188475 [0,1,1,0,0,0|0,0,2]=4 1075 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000188475 [0,1,1,0,0,0|0,0,2]=4 1076 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000188475 [0,1,1,0,0,0|0,0,2]=4 1077 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000188475 [0,1,1,0,0,0|0,0,2]=4 1078 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000188475 [0,1,1,0,0,0|0,0,2]=4 1079 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)O 271570a_203496583355_100011248971 [0,1,1,0,0,0|0,0,2]=4 1080 B15R1.24 CCOC(=O)CC(N)c1cccc(c1)O 271570a_203496583355_100020603595 [0,1,1,0,0,0|1,0,0]=3 1081 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000188475 [0,1,1,0,0,0|2,0,0]=4 1082 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000188475 [0,1,1,0,0,0|2,0,0]=4 1083 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 269982a_200000219647_200000210301 [0,1,1,0,0,0|2,0,0]=4 1084 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000188475 [0,1,1,0,0,0|2,0,0]=4 1085 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000188475 [0,1,1,0,0,0|2,0,0]=4 1086 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 2230a_200000219673_200000210301 [0,1,1,0,0,0|2,0,0]=4 1087 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000188475 [0,1,1,0,0,0|2,0,0]=4 1088 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 269982a_200000219673_200000210301 [0,1,1,0,0,0|2,0,0]=4 1089 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000188475 [0,1,1,0,0,0|2,0,0]=4 1090 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220043_200000210301 [0,1,1,0,0,0|2,0,0]=4 1091 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000188475 [0,1,1,0,0,0|2,0,0]=4 1092 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220043_200000210301 [0,1,1,0,0,0|2,0,0]=4 1093 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000188475 [0,1,1,0,0,0|2,0,0]=4 1094 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000188475 [0,1,1,0,0,0|2,0,0]=4 1095 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 2230a_100000220069_200000210301 [0,1,1,0,0,0|2,0,0]=4 1096 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000188475 [0,1,1,0,0,0|2,0,0]=4 1097 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 269982a_100000220069_200000210301 [0,1,1,0,0,0|2,0,0]=4 1098 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000188475 [0,1,1,0,0,0|2,0,0]=4 1099 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000188475 [0,1,1,0,0,0|2,0,0]=4 1100 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000188475 [0,1,1,0,0,0|2,0,0]=4 1101 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000188475 [0,1,1,0,0,0|2,0,0]=4 1102 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000188475 [0,1,1,0,0,0|2,0,0]=4 1103 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000188475 [0,1,1,0,0,0|2,0,0]=4 1104 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000188475 [0,1,1,0,0,0|2,0,0]=4 1105 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000188475 [0,1,1,0,0,0|2,0,0]=4 1106 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Br 269982a_200000219647_200025704644 [0,1,1,0,0,0|2,0,0]=4 1107 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)C 2230a_200000219673_200025704644 [0,1,1,0,0,0|2,0,0]=4 1108 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)C 269982a_200000219673_200025704644 [0,1,1,0,0,0|2,0,0]=4 1109 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Cl 2230a_100000220043_200025704644 [0,1,1,0,0,0|2,0,0]=4 1110 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Cl 269982a_100000220043_200025704644 [0,1,1,0,0,0|2,0,0]=4 1111 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)F 2230a_100000220069_200025704644 [0,1,1,0,0,0|2,0,0]=4 1112 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)F 269982a_100000220069_200025704644 [0,1,1,0,0,0|2,0,0]=4 1113 B15R1.24 CNNC(=O)C[C@H](O)c1cccc(c1)Cl 22a_100016993582_100010423400 [0,1,1,0,0,0|2,0,0]=4 1114 B15R1.24 O=C(CCF)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100011217306 [0,1,1,0,0,0|2,0,0]=4 1115 B15R1.24 O=C(CCO)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000211926 [0,1,1,0,0,0|2,0,0]=4 1116 B15R1.115 C#CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000753159 [0,1,1,0,0,0|1,0,1]=4 1117 B15R1.115 C#CCCC(=O)CC(O)c1ccccc1 1458a_100000692101_100000185958 [0,1,1,0,0,0|1,0,1]=4 1118 B15R1.115 C#CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000692101_100011933945 [0,1,1,0,0,0|1,0,1]=4 1119 B15R1.115 C#CCNC(=O)CC(O)c1ccccc1 240690a_100000212058_100000690199 [0,1,1,0,0,0|1,0,1]=4 1120 B15R1.115 C/C=C/CC(=O)CC(O)c1ccccc1 1458a_100000690199_100102629194 [0,1,1,0,0,0|1,0,1]=4 1121 B15R1.115 C=CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000754431 [0,1,1,0,0,0|1,0,1]=4 1122 B15R1.115 C=CCCC(=O)CC(O)c1ccccc1 1458a_100000749702_100000185958 [0,1,1,0,0,0|1,0,1]=4 1123 B15R1.115 C=CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000749702_100011933945 [0,1,1,0,0,0|1,0,1]=4 1124 B15R1.115 C=CCNC(=O)CC(O)c1ccccc1 240690a_100020586998_100000690199 [0,1,1,0,0,0|1,0,1]=4 1125 B15R1.115 CC#CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000748600 [0,1,1,0,0,0|1,0,1]=4 1126 B15R1.115 CC(CC(=O)CCCF)c1ccccc1 1458a_100000183687_100011934791 [0,1,1,0,0,0|2,0,0]=4 1127 B15R1.115 CC(CC(=O)CCCO)c1ccccc1 1458a_100000183687_100011215043 [0,1,1,0,0,0|2,0,0]=4 1128 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 11a_100000724931_100000183687 [0,1,1,0,0,0|2,0,0]=4 1129 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000183687 [0,1,1,0,0,0|2,0,0]=4 1130 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000183687 [0,1,1,0,0,0|2,0,0]=4 1131 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 527a_100000724931_100000183687 [0,1,1,0,0,0|2,0,0]=4 1132 B15R1.115 CC(CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000183687 [0,1,1,0,0,0|2,0,0]=4 1133 B15R1.115 CC(CC(=O)NCCO)c1ccccc1 527a_100000210304_100000183687 [0,1,1,0,0,0|2,0,0]=4 1134 B15R1.115 CC=CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000070051 [0,1,1,0,0,0|1,0,1]=4 1135 B15R1.115 CC=CCC(=O)CC(O)c1ccccc1 1458a_100121576822_100000185958 [0,1,1,0,0,0|1,0,1]=4 1136 B15R1.115 CC=CCC(=O)C[C@@H](O)c1ccccc1 1458a_100121576822_100011933945 [0,1,1,0,0,0|1,0,1]=4 1137 B15R1.115 CCC#CC(=O)CC(C)c1ccccc1 1458a_100011827653_100000756946 [0,1,1,0,0,0|2,0,0]=4 1138 B15R1.115 CCC#CC(=O)CC(O)c1ccccc1 1458a_100011827653_100000185958 [0,1,1,0,0,0|1,0,0]=3 1139 B15R1.115 CCC#CC(=O)C[C@@H](O)c1ccccc1 1458a_100011827653_100011933945 [0,1,1,0,0,0|1,0,0]=3 1140 B15R1.115 CCC=CC(=O)CC(C)c1ccccc1 1458a_100000212282_100000756946 [0,1,1,0,0,0|2,0,0]=4 1141 B15R1.115 CCC=CC(=O)CC(O)c1ccccc1 1458a_100000212282_100000185958 [0,1,1,0,0,0|1,0,0]=3 1142 B15R1.115 CCC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000212282_100011933945 [0,1,1,0,0,0|1,0,0]=3 1143 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210211 [0,1,1,0,0,0|2,0,0]=4 1144 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000210183_100000756946 [0,1,1,0,0,0|2,0,0]=4 1145 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000210183_100000185958 [0,1,1,0,0,0|1,0,0]=3 1146 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210211 [0,1,1,0,0,0|1,0,0]=3 1147 B15R1.115 CCCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210183_100011933945 [0,1,1,0,0,0|1,0,0]=3 1148 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 11a_100020643023_100000183687 [0,1,1,0,0,0|2,0,0]=4 1149 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 1626a_100020643023_100000183687 [0,1,1,0,0,0|2,0,0]=4 1150 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 240690a_100020643023_100000183687 [0,1,1,0,0,0|2,0,0]=4 1151 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 527a_100020643023_100000183687 [0,1,1,0,0,0|2,0,0]=4 1152 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 240690a_100020643023_100000690199 [0,1,1,0,0,0|1,0,0]=3 1153 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [0,1,1,0,0,0|0,0,2]=4 1154 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200011215008 [0,1,1,0,0,0|2,0,0]=4 1155 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200011215008 [0,1,1,0,0,0|2,0,0]=4 1156 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200011215008 [0,1,1,0,0,0|2,0,0]=4 1157 B15R1.115 CCNNC(=O)CC(C)c1ccccc1 22a_100000756455_100000183687 [0,1,1,0,0,0|2,0,0]=4 1158 B15R1.115 CCNNC(=O)CC(O)c1ccccc1 22a_100000756455_100000690199 [0,1,1,0,0,0|1,0,0]=3 1159 B15R1.115 CCOCC(=O)CC(=O)c1ccccc1 1458a_100000211967_100000211460 [0,1,1,0,0,0|0,0,2]=4 1160 B15R1.115 CCOCC(=O)CC(C)c1ccccc1 1458a_100000211967_100000756946 [0,1,1,0,0,0|1,0,0]=3 1161 B15R1.115 CCOCC(=O)CC(O)c1ccccc1 1458a_100000211967_100000185958 [0,1,1,0,0,0|0,0,0]=2 1162 B15R1.115 CCOCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211967_100011933945 [0,1,1,0,0,0|0,0,0]=2 1163 B15R1.115 CCOCC(=O)NC(C)c1ccccc1 34a_100121572206_200000243715 [0,1,1,0,0,0|2,0,0]=4 1164 B15R1.115 CCOCC(=O)N[C@@H](C)c1ccccc1 34a_100121572206_100011939912 [0,1,1,0,0,0|2,0,0]=4 1165 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211967 [0,1,1,0,0,0|2,0,0]=4 1166 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211967 [0,1,1,0,0,0|2,0,0]=4 1167 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211967 [0,1,1,0,0,0|2,0,0]=4 1168 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211967 [0,1,1,0,0,0|2,0,0]=4 1169 B15R1.115 CCOCN(C)CC(O)c1ccccc1 269982a_100000227976_100000739092 [0,1,1,0,0,0|2,0,0]=4 1170 B15R1.115 CCSCC(=O)CC(C)c1ccccc1 1458a_100000230394_100000756946 [0,1,1,0,0,0|1,1,0]=4 1171 B15R1.115 CCSCC(=O)CC(O)c1ccccc1 1458a_100000230394_100000185958 [0,1,1,0,0,0|0,1,0]=3 1172 B15R1.115 CCSCC(=O)C[C@@H](O)c1ccccc1 1458a_100000230394_100011933945 [0,1,1,0,0,0|0,1,0]=3 1173 B15R1.115 COC=CC(=O)CC(O)c1ccccc1 1458a_100016268678_100000185958 [0,1,1,0,0,0|1,0,1]=4 1174 B15R1.115 COC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100016268678_100011933945 [0,1,1,0,0,0|1,0,1]=4 1175 B15R1.115 COCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000233755 [0,1,1,0,0,0|2,0,0]=4 1176 B15R1.115 COCCC(=O)CC(C)c1ccccc1 1458a_100000749529_100000756946 [0,1,1,0,0,0|2,0,0]=4 1177 B15R1.115 COCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000233755 [0,1,1,0,0,0|1,0,0]=3 1178 B15R1.115 COCCC(=O)CC(O)c1ccccc1 1458a_100000749529_100000185958 [0,1,1,0,0,0|1,0,0]=3 1179 B15R1.115 COCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000749529_100011933945 [0,1,1,0,0,0|1,0,0]=3 1180 B15R1.115 CSCCC(=O)CC(C)c1ccccc1 1458a_100000174002_100000756946 [0,1,1,0,0,0|2,0,0]=4 1181 B15R1.115 CSCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000751147 [0,1,1,0,0,0|2,0,0]=4 1182 B15R1.115 CSCCC(=O)CC(O)c1ccccc1 1458a_100000174002_100000185958 [0,1,1,0,0,0|1,0,0]=3 1183 B15R1.115 CSCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000751147 [0,1,1,0,0,0|1,0,0]=3 1184 B15R1.115 CSCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000174002_100011933945 [0,1,1,0,0,0|1,0,0]=3 1185 B15R1.115 N#CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100011215226 [0,1,1,0,0,0|1,0,1]=4 1186 B15R1.115 N#CCCC(=O)CC(O)c1ccccc1 1458a_100011934036_100000185958 [0,1,1,0,0,0|1,0,1]=4 1187 B15R1.115 N#CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100011934036_100011933945 [0,1,1,0,0,0|1,0,1]=4 1188 B15R1.115 O=C(C#CCO)CC(O)c1ccccc1 1458a_100000049017_100000185958 [0,1,1,0,0,0|1,0,1]=4 1189 B15R1.115 O=C(C#CCO)C[C@@H](O)c1ccccc1 1458a_100000049017_100011933945 [0,1,1,0,0,0|1,0,1]=4 1190 B15R1.115 O=C(CC(O)c1ccccc1)NCCF 240690a_100000724931_100000690199 [0,1,1,0,0,0|1,0,0]=3 1191 B15R1.115 O=C(CC(O)c1ccccc1)NCCO 240690a_100000210304_100000690199 [0,1,1,0,0,0|1,0,0]=3 1192 B15R1.115 O=C(CCCF)CC(O)c1ccccc1 1458a_100000690199_100011934791 [0,1,1,0,0,0|1,0,0]=3 1193 B15R1.115 O=C(CCCO)CC(O)c1ccccc1 1458a_100000690199_100011215043 [0,1,1,0,0,0|1,0,0]=3 1194 B15R1.578 CCOC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100011216346 [0,1,1,0,0,0|0,0,2]=4 1195 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100011215307 [0,1,1,0,0,0|2,0,0]=4 1196 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100011216346 [0,1,1,0,0,0|2,0,0]=4 1197 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100011216346 [0,1,1,0,0,0|2,0,0]=4 1198 B15R1.578 CCOC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100000760018 [0,1,1,0,0,0|0,0,2]=4 1199 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 2230a_100000210012_100000760018 [0,1,1,0,0,0|2,0,0]=4 1200 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 269982a_100000210012_100000760018 [0,1,1,0,0,0|2,0,0]=4 1201 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 34a_100000210012_100000760018 [0,1,1,0,0,0|2,0,0]=4 1202 B15R1.807 CCCC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_100000210303 [0,1,1,0,0,0|2,0,0]=4 1203 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 11a_100015525214_100011409233 [0,1,1,0,0,0|2,0,0]=4 1204 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 240690a_100015525214_100011409233 [0,1,1,0,0,0|2,0,0]=4 1205 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 527a_100015525214_100011409233 [0,1,1,0,0,0|2,0,0]=4 1206 B15R1.947 C/C=C(\C)/C(=O)CC(O)c1ccccc1 1458a_100020587367_100000185958 [0,1,1,0,0,0|1,0,1]=4 1207 B15R1.947 C/C=C(\C)/C(=O)C[C@@H](O)c1ccccc1 1458a_100020587367_100011933945 [0,1,1,0,0,0|1,0,1]=4 1208 B15R1.947 CCC(C)C(=O)CC(C)c1ccccc1 1458a_100000183687_100000758301 [0,1,1,0,0,0|2,0,0]=4 1209 B15R1.947 CCC(C)C(=O)CC(C)c1ccccc1 1458a_100011192722_100000756946 [0,1,1,0,0,0|2,0,0]=4 1210 B15R1.947 CCC(C)C(=O)CC(O)c1ccccc1 1458a_100000690199_100000758301 [0,1,1,0,0,0|1,0,0]=3 1211 B15R1.947 CCC(C)C(=O)CC(O)c1ccccc1 1458a_100011192722_100000185958 [0,1,1,0,0,0|1,0,0]=3 1212 B15R1.947 CCC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100011192722_100011933945 [0,1,1,0,0,0|1,0,0]=3 1213 B15R1.947 CCC(O)C(=O)CC(C)c1ccccc1 1458a_100011196387_100000756946 [0,1,1,0,0,0|2,0,0]=4 1214 B15R1.947 CCC(O)C(=O)CC(O)c1ccccc1 1458a_100011196387_100000185958 [0,1,1,0,0,0|1,0,0]=3 1215 B15R1.947 CCC(O)C(=O)C[C@@H](O)c1ccccc1 1458a_100011196387_100011933945 [0,1,1,0,0,0|1,0,0]=3 1216 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 11a_100000225621_100000183687 [0,1,1,0,0,0|2,0,0]=4 1217 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 1626a_100000225621_100000183687 [0,1,1,0,0,0|2,0,0]=4 1218 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 240690a_100000225621_100000183687 [0,1,1,0,0,0|2,0,0]=4 1219 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 527a_100000225621_100000183687 [0,1,1,0,0,0|2,0,0]=4 1220 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 240690a_100000225621_100000690199 [0,1,1,0,0,0|1,0,0]=3 1221 B15R1.947 CNC(=O)C(=O)CC(O)c1ccccc1 1458a_100011218921_100000185958 [0,1,1,0,0,0|2,0,0]=4 1222 B15R1.947 CNC(=O)C(=O)C[C@@H](O)c1ccccc1 1458a_100011218921_100011933945 [0,1,1,0,0,0|2,0,0]=4 1223 B15R1.947 COC(C)C(=O)CC(O)c1ccccc1 1458a_100000743197_100000185958 [0,1,1,0,0,0|2,0,0]=4 1224 B15R1.947 COC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000743197_100011933945 [0,1,1,0,0,0|2,0,0]=4 1225 B15R1.947 CSC(C)C(=O)CC(O)c1ccccc1 1458a_100000149566_100000185958 [0,1,1,0,0,0|2,0,0]=4 1226 B15R1.947 CSC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000149566_100011933945 [0,1,1,0,0,0|2,0,0]=4 1227 B15R1.947 O=C(CC(O)c1ccccc1)C(O)CO 1458a_100011215603_100000185958 [0,1,1,0,0,0|2,0,0]=4 1228 B15R1.947 O=C(C[C@@H](O)c1ccccc1)C(O)CO 1458a_100011215603_100011933945 [0,1,1,0,0,0|2,0,0]=4 1229 B15R1.1076 C=C(C)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100000748629 [0,1,1,0,0,0|1,0,1]=4 1230 B15R1.1076 CC(=CC(=O)CC(O)c1ccccc1)C 1458a_100000211388_100000185958 [0,1,1,0,0,0|1,0,1]=4 1231 B15R1.1076 CC(=CC(=O)CC(O)c1ccccc1)Cl 1458a_200042562850_100000185958 [0,1,1,0,0,0|1,0,1]=4 1232 B15R1.1076 CC(=CC(=O)CC(O)c1ccccc1)I 1458a_100025716642_100000185958 [0,1,1,0,0,0|1,0,1]=4 1233 B15R1.1076 CC(=CC(=O)C[C@@H](O)c1ccccc1)C 1458a_100000211388_100011933945 [0,1,1,0,0,0|1,0,1]=4 1234 B15R1.1076 CC(=CC(=O)C[C@@H](O)c1ccccc1)Cl 1458a_200042562850_100011933945 [0,1,1,0,0,0|1,0,1]=4 1235 B15R1.1076 CC(=CC(=O)C[C@@H](O)c1ccccc1)I 1458a_100025716642_100011933945 [0,1,1,0,0,0|1,0,1]=4 1236 B15R1.1076 CC(C)CC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210624 [0,1,1,0,0,0|2,0,0]=4 1237 B15R1.1076 CC(C)CC(=O)CC(C)c1ccccc1 1458a_100000210554_100000756946 [0,1,1,0,0,0|2,0,0]=4 1238 B15R1.1076 CC(C)CC(=O)CC(O)c1ccccc1 1458a_100000210554_100000185958 [0,1,1,0,0,0|1,0,0]=3 1239 B15R1.1076 CC(C)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210624 [0,1,1,0,0,0|1,0,0]=3 1240 B15R1.1076 CC(C)CC(=O)C[C@@H](O)c1ccccc1 1458a_100000210554_100011933945 [0,1,1,0,0,0|1,0,0]=3 1241 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 11a_100138425928_100000183687 [0,1,1,0,0,0|2,0,0]=4 1242 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 1626a_100138425928_100000183687 [0,1,1,0,0,0|2,0,0]=4 1243 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 240690a_100138425928_100000183687 [0,1,1,0,0,0|2,0,0]=4 1244 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 527a_100138425928_100000183687 [0,1,1,0,0,0|2,0,0]=4 1245 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 240690a_100138425928_100000690199 [0,1,1,0,0,0|1,0,0]=3 1246 B15R1.1076 CC(C)OC(=O)CC(=O)c1ccccc1 1458a_100000185807_100011215430 [0,1,1,0,0,0|0,0,2]=4 1247 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 2230a_100000210012_100011215430 [0,1,1,0,0,0|2,0,0]=4 1248 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 269982a_100000210012_100011215430 [0,1,1,0,0,0|2,0,0]=4 1249 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 34a_100000210012_100011215430 [0,1,1,0,0,0|2,0,0]=4 1250 B15R1.1076 CC(CC(=O)C[C@@H](C)O)c1ccccc1 1458a_100011933948_100000756946 [0,1,1,0,0,0|2,0,0]=4 1251 B15R1.1076 CC(O)CC(=O)CC(C)c1ccccc1 1458a_100000183687_100011218427 [0,1,1,0,0,0|2,0,0]=4 1252 B15R1.1076 CC(O)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100011218427 [0,1,1,0,0,0|1,0,0]=3 1253 B15R1.1076 CN(C)CC(=O)CC(O)c1ccccc1 1458a_100000750896_100000185958 [0,1,1,0,0,0|2,0,0]=4 1254 B15R1.1076 CN(C)CC(=O)C[C@@H](O)c1ccccc1 1458a_100000750896_100011933945 [0,1,1,0,0,0|2,0,0]=4 1255 B15R1.1076 C[C@@H](O)CC(=O)CC(O)c1ccccc1 1458a_100011933948_100000185958 [0,1,1,0,0,0|1,0,0]=3 1256 B15R1.1076 C[C@@H](O)CC(=O)C[C@@H](O)c1ccccc1 1458a_100011933948_100011933945 [0,1,1,0,0,0|1,0,0]=3 1257 B15R1.1076 C[S+](C)CC(=O)CC(O)c1ccccc1 1458a_200159257847_100000185958 [0,1,1,0,0,0|2,0,0]=4 1258 B15R1.1076 C[S+](C)CC(=O)C[C@@H](O)c1ccccc1 1458a_200159257847_100011933945 [0,1,1,0,0,0|2,0,0]=4 1259 B15R1.1076 O=C(CC(F)F)CC(O)c1ccccc1 1458a_100000690199_100011934356 [0,1,1,0,0,0|2,0,0]=4 1260 B15R1.1257 CCCC(=O)CC(C#N)c1ccccc1 1458a_200000079825_100000210303 [0,1,1,0,0,0|2,0,0]=4 1261 B15R1.1257 CCCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210303 [0,1,1,0,0,0|1,0,0]=3 1262 B15R1.1257 CCCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000211992 [0,1,1,0,0,0|2,0,0]=4 1263 B15R1.1257 CCCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000211992 [0,1,1,0,0,0|2,0,0]=4 1264 B15R1.1257 CCNC(=O)CC(C#N)c1ccccc1 11a_100015525214_200000079825 [0,1,1,0,0,0|2,0,0]=4 1265 B15R1.1257 CCNC(=O)CC(C#N)c1ccccc1 240690a_100015525214_200000079825 [0,1,1,0,0,0|2,0,0]=4 1266 B15R1.1257 CCNC(=O)CC(C#N)c1ccccc1 527a_100015525214_200000079825 [0,1,1,0,0,0|2,0,0]=4 1267 B15R1.1257 CCNC(=O)CC(CO)c1ccccc1 240690a_100015525214_106726389045 [0,1,1,0,0,0|1,0,0]=3 1268 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 2708a_100015525214_100000751927 [0,1,1,0,0,0|2,0,0]=4 1269 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100015525214 [0,1,1,0,0,0|2,0,0]=4 1270 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 273464a_100015525214_100000751927 [0,1,1,0,0,0|2,0,0]=4 1271 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 512a_100015525214_100000751927 [0,1,1,0,0,0|2,0,0]=4 1272 B15R1.1257 CCOC(=O)CC(OC)c1ccccc1 7a_100000756809_200000210301 [0,1,1,0,0,0|0,0,0]=2 1273 B15R1.1257 CCOC(=O)CC(O[13CH3])c1ccccc1 7a_100000756809_200025704644 [0,1,1,0,0,0|0,0,0]=2 1274 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000188475 [0,1,1,0,0,0|2,0,0]=4 1275 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000219562_100000210202 [0,1,1,0,0,0|2,0,0]=4 1276 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000188475 [0,1,1,0,0,0|2,0,0]=4 1277 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000219562_100000204670 [0,1,1,0,0,0|2,0,0]=4 1278 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 34a_100000210013_100000188475 [0,1,1,0,0,0|2,0,0]=4 1279 B15R1.1257 CCOC(=O)CN(CF)c1ccccc1 269982a_100000219562_100015361967 [0,1,1,0,0,0|2,0,0]=4 1280 B15R1.1257 CNNC(=O)CC(CO)c1ccccc1 22a_100016993582_106726389045 [0,1,1,0,0,0|2,0,0]=4 1281 B15R1.1257 O=C(CCF)CC(CO)c1ccccc1 1458a_106726389045_100011217306 [0,1,1,0,0,0|2,0,0]=4 1282 B15R1.1257 O=C(CCO)CC(CO)c1ccccc1 1458a_106726389045_100000211926 [0,1,1,0,0,0|2,0,0]=4 1283 B15R1.3722 CCCC(=O)CC(C)c1ccccc1Br 1458a_100000743458_100000210303 [0,1,1,0,0,0|2,0,0]=4 1284 B15R1.3722 CCCC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_100000210303 [0,1,1,0,0,0|2,0,0]=4 1285 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Br 11a_100015525214_100000743458 [0,1,1,0,0,0|2,0,0]=4 1286 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Br 240690a_100015525214_100000743458 [0,1,1,0,0,0|2,0,0]=4 1287 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Br 527a_100015525214_100000743458 [0,1,1,0,0,0|2,0,0]=4 1288 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Cl 11a_100015525214_100012184337 [0,1,1,0,0,0|2,0,0]=4 1289 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Cl 240690a_100015525214_100012184337 [0,1,1,0,0,0|2,0,0]=4 1290 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Cl 527a_100015525214_100012184337 [0,1,1,0,0,0|2,0,0]=4 1291 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000188475 [0,1,1,0,0,0|0,0,2]=4 1292 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000188475 [0,1,1,0,0,0|0,0,2]=4 1293 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000188475 [0,1,1,0,0,0|0,0,2]=4 1294 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000188475 [0,1,1,0,0,0|0,0,2]=4 1295 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000188475 [0,1,1,0,0,0|0,0,2]=4 1296 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000188475 [0,1,1,0,0,0|0,0,2]=4 1297 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1O 271570a_203496583355_100011248968 [0,1,1,0,0,0|0,0,2]=4 1298 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000188475 [0,1,1,0,0,0|0,0,2]=4 1299 B15R1.3722 CCOC(=O)CC(N)c1ccccc1O 271570a_203496583355_100020603594 [0,1,1,0,0,0|1,0,0]=3 1300 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000188475 [0,1,1,0,0,0|2,0,0]=4 1301 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000188475 [0,1,1,0,0,0|2,0,0]=4 1302 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000188475 [0,1,1,0,0,0|2,0,0]=4 1303 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000188475 [0,1,1,0,0,0|2,0,0]=4 1304 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 2230a_200000219698_200000210301 [0,1,1,0,0,0|2,0,0]=4 1305 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000188475 [0,1,1,0,0,0|2,0,0]=4 1306 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 269982a_200000219698_200000210301 [0,1,1,0,0,0|2,0,0]=4 1307 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 34a_100000219699_100000188475 [0,1,1,0,0,0|2,0,0]=4 1308 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000188475 [0,1,1,0,0,0|2,0,0]=4 1309 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000188475 [0,1,1,0,0,0|2,0,0]=4 1310 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 269982a_200000219373_200000210301 [0,1,1,0,0,0|2,0,0]=4 1311 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000188475 [0,1,1,0,0,0|2,0,0]=4 1312 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000188475 [0,1,1,0,0,0|2,0,0]=4 1313 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 269982a_100000220356_200000210301 [0,1,1,0,0,0|2,0,0]=4 1314 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000188475 [0,1,1,0,0,0|2,0,0]=4 1315 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 34a_100000220357_100000188475 [0,1,1,0,0,0|2,0,0]=4 1316 B15R1.3722 CCOC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000188475 [0,1,1,0,0,0|2,0,0]=4 1317 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1C 2230a_200000219698_200025704644 [0,1,1,0,0,0|2,0,0]=4 1318 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1C 269982a_200000219698_200025704644 [0,1,1,0,0,0|2,0,0]=4 1319 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1Cl 269982a_200000219373_200025704644 [0,1,1,0,0,0|2,0,0]=4 1320 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1F 269982a_100000220356_200025704644 [0,1,1,0,0,0|2,0,0]=4 1321 B15R1.48 CCCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000210303 [0,1,1,0,0,0|2,0,0]=4 1322 B15R1.48 CCCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000210303 [0,1,1,0,0,0|2,0,0]=4 1323 B15R1.48 CCCC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100000210303 [0,1,1,0,0,0|1,0,0]=3 1324 B15R1.48 CCCC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_100000210303 [0,1,1,0,0,0|1,0,0]=3 1325 B15R1.48 CCCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000210303 [0,1,1,0,0,0|1,0,0]=3 1326 B15R1.48 CCCC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100000210303 [0,1,1,0,0,0|1,0,0]=3 1327 B15R1.48 CCNC(=O)C(C)Cc1ccc(cc1)Br 11a_100015525214_100000695199 [0,1,1,0,0,0|2,0,0]=4 1328 B15R1.48 CCNC(=O)C(C)Cc1ccc(cc1)Br 240690a_100015525214_100000695199 [0,1,1,0,0,0|2,0,0]=4 1329 B15R1.48 CCNC(=O)C(C)Cc1ccc(cc1)Br 527a_100015525214_100000695199 [0,1,1,0,0,0|2,0,0]=4 1330 B15R1.48 CCNC(=O)C(C)Cc1ccc(cc1)F 11a_100015525214_100000746122 [0,1,1,0,0,0|2,0,0]=4 1331 B15R1.48 CCNC(=O)C(C)Cc1ccc(cc1)F 240690a_100015525214_100000746122 [0,1,1,0,0,0|2,0,0]=4 1332 B15R1.48 CCNC(=O)C(C)Cc1ccc(cc1)F 527a_100015525214_100000746122 [0,1,1,0,0,0|2,0,0]=4 1333 B15R1.48 CCNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100015525214_100012362158 [0,1,1,0,0,0|1,0,0]=3 1334 B15R1.48 CCNC(=O)C(O)Cc1ccc(cc1)F 240690a_100015525214_100012179405 [0,1,1,0,0,0|1,0,0]=3 1335 B15R1.48 CCNC(=O)C(O)Cc1ccc(cc1)O 240690a_100015525214_100015278814 [0,1,1,0,0,0|1,0,0]=3 1336 B15R1.48 CCNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100015525214_200015644258 [0,1,1,0,0,0|1,0,0]=3 1337 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100011215307 [0,1,1,0,0,0|2,0,0]=4 1338 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Br 34a_100000210018_100011216346 [0,1,1,0,0,0|2,0,0]=4 1339 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)C 34a_100000124888_100011216346 [0,1,1,0,0,0|2,0,0]=4 1340 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100011215307 [0,1,1,0,0,0|2,0,0]=4 1341 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Cl 34a_100000210052_100011216346 [0,1,1,0,0,0|2,0,0]=4 1342 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)F 34a_100000185862_100011216346 [0,1,1,0,0,0|2,0,0]=4 1343 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100011216346 [0,1,1,0,0,0|2,0,0]=4 1344 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100011216346 [0,1,1,0,0,0|2,0,0]=4 1345 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Br 34a_100000185759_100011216346 [0,1,1,0,0,0|2,0,0]=4 1346 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100011216346 [0,1,1,0,0,0|2,0,0]=4 1347 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)C 34a_100000210336_100011216346 [0,1,1,0,0,0|2,0,0]=4 1348 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100011216346 [0,1,1,0,0,0|2,0,0]=4 1349 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100011216346 [0,1,1,0,0,0|2,0,0]=4 1350 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100011216346 [0,1,1,0,0,0|2,0,0]=4 1351 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)F 34a_100000210339_100011216346 [0,1,1,0,0,0|2,0,0]=4 1352 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100011216346 [0,1,1,0,0,0|2,0,0]=4 1353 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100011216346 [0,1,1,0,0,0|2,0,0]=4 1354 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)N 34a_100000185829_100011216346 [0,1,1,0,0,0|2,0,0]=4 1355 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100011216346 [0,1,1,0,0,0|2,0,0]=4 1356 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Br 62a_100011216346_100000752885 [0,1,1,0,0,0|2,0,0]=4 1357 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100011216346 [0,1,1,0,0,0|2,0,0]=4 1358 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)C 62a_100011216346_100000186775 [0,1,1,0,0,0|2,0,0]=4 1359 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100011216346 [0,1,1,0,0,0|2,0,0]=4 1360 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Cl 62a_100011216346_100000755918 [0,1,1,0,0,0|2,0,0]=4 1361 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100011216346 [0,1,1,0,0,0|2,0,0]=4 1362 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)F 62a_100011216346_100000211213 [0,1,1,0,0,0|2,0,0]=4 1363 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100011216346 [0,1,1,0,0,0|2,0,0]=4 1364 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)N 62a_100011216346_100000185761 [0,1,1,0,0,0|2,0,0]=4 1365 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)O 62a_100011216346_100000185759 [0,1,1,0,0,0|2,0,0]=4 1366 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100000760018 [0,1,1,0,0,0|2,0,0]=4 1367 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100000760018 [0,1,1,0,0,0|2,0,0]=4 1368 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)C 34a_100000124888_100000760018 [0,1,1,0,0,0|2,0,0]=4 1369 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100000760018 [0,1,1,0,0,0|2,0,0]=4 1370 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100000760018 [0,1,1,0,0,0|2,0,0]=4 1371 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100000760018 [0,1,1,0,0,0|2,0,0]=4 1372 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100000760018 [0,1,1,0,0,0|2,0,0]=4 1373 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100000760018 [0,1,1,0,0,0|2,0,0]=4 1374 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100000760018 [0,1,1,0,0,0|2,0,0]=4 1375 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100000040065 [0,1,1,0,0,0|2,0,0]=4 1376 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)C 34a_100000210336_100000760018 [0,1,1,0,0,0|2,0,0]=4 1377 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)C 7a_100000210336_100000040065 [0,1,1,0,0,0|2,0,0]=4 1378 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100000760018 [0,1,1,0,0,0|2,0,0]=4 1379 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100000040065 [0,1,1,0,0,0|2,0,0]=4 1380 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100000760018 [0,1,1,0,0,0|2,0,0]=4 1381 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100000760018 [0,1,1,0,0,0|2,0,0]=4 1382 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100000040065 [0,1,1,0,0,0|2,0,0]=4 1383 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100000760018 [0,1,1,0,0,0|2,0,0]=4 1384 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100000760018 [0,1,1,0,0,0|2,0,0]=4 1385 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Br 62a_100000760018_100000752885 [0,1,1,0,0,0|2,0,0]=4 1386 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)C 62a_100000186775_100000760018 [0,1,1,0,0,0|2,0,0]=4 1387 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)C 62a_100000760018_100000186775 [0,1,1,0,0,0|2,0,0]=4 1388 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100000760018 [0,1,1,0,0,0|2,0,0]=4 1389 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000760018_100000755918 [0,1,1,0,0,0|2,0,0]=4 1390 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100000760018 [0,1,1,0,0,0|2,0,0]=4 1391 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)F 62a_100000760018_100000211213 [0,1,1,0,0,0|2,0,0]=4 1392 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100000760018 [0,1,1,0,0,0|2,0,0]=4 1393 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)N 62a_100000760018_100000185761 [0,1,1,0,0,0|2,0,0]=4 1394 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)O 62a_100000760018_100000185759 [0,1,1,0,0,0|2,0,0]=4 1395 B15R1.48 CNNC(=O)C(O)Cc1ccc(cc1)Cl 22a_100016993582_100012362158 [0,1,1,0,0,0|2,0,0]=4 1396 B15R1.48 CNNC(=O)C(O)Cc1ccc(cc1)F 22a_100016993582_100012179405 [0,1,1,0,0,0|2,0,0]=4 1397 B15R1.48 CNNC(=O)C(O)Cc1ccc(cc1)O 22a_100016993582_100015278814 [0,1,1,0,0,0|2,0,0]=4 1398 B15R1.48 CNNC(=O)[C@@H](O)Cc1ccc(cc1)Br 22a_100016993582_200015644258 [0,1,1,0,0,0|2,0,0]=4 1399 B15R1.48 O=C(CCF)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100011217306 [0,1,1,0,0,0|2,0,0]=4 1400 B15R1.48 O=C(CCF)C(O)Cc1ccc(cc1)F 1458a_100012179405_100011217306 [0,1,1,0,0,0|2,0,0]=4 1401 B15R1.48 O=C(CCF)C(O)Cc1ccc(cc1)O 1458a_100015278814_100011217306 [0,1,1,0,0,0|2,0,0]=4 1402 B15R1.48 O=C(CCF)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100011217306 [0,1,1,0,0,0|2,0,0]=4 1403 B15R1.48 O=C(CCO)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100000211926 [0,1,1,0,0,0|2,0,0]=4 1404 B15R1.48 O=C(CCO)C(O)Cc1ccc(cc1)F 1458a_100012179405_100000211926 [0,1,1,0,0,0|2,0,0]=4 1405 B15R1.48 O=C(CCO)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000211926 [0,1,1,0,0,0|2,0,0]=4 1406 B15R1.48 O=C(CCO)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100000211926 [0,1,1,0,0,0|2,0,0]=4 1407 B15R1.49 CCCC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_100000210303 [0,1,1,0,0,0|1,0,0]=3 1408 B15R1.49 CCCC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100000210303 [0,1,1,0,0,0|1,0,0]=3 1409 B15R1.49 CCNC(=O)C(O)Cc1cccc(c1)Br 240690a_100015525214_100012362086 [0,1,1,0,0,0|1,0,0]=3 1410 B15R1.49 CCNC(=O)[C@@H](O)Cc1cccc(c1)F 240690a_100015525214_200016142683 [0,1,1,0,0,0|1,0,0]=3 1411 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)Br 34a_100000210019_100011216346 [0,1,1,0,0,0|2,0,0]=4 1412 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100011215307 [0,1,1,0,0,0|2,0,0]=4 1413 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)C 34a_100000188690_100011216346 [0,1,1,0,0,0|2,0,0]=4 1414 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)Cl 34a_100000185859_100011216346 [0,1,1,0,0,0|2,0,0]=4 1415 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)F 34a_100000210047_100011216346 [0,1,1,0,0,0|2,0,0]=4 1416 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)I 34a_100000211102_100011216346 [0,1,1,0,0,0|2,0,0]=4 1417 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100011216346 [0,1,1,0,0,0|2,0,0]=4 1418 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Br 34a_100000210342_100011216346 [0,1,1,0,0,0|2,0,0]=4 1419 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100011216346 [0,1,1,0,0,0|2,0,0]=4 1420 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)C 34a_100000210337_100011216346 [0,1,1,0,0,0|2,0,0]=4 1421 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100011216346 [0,1,1,0,0,0|2,0,0]=4 1422 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Cl 34a_100000210295_100011216346 [0,1,1,0,0,0|2,0,0]=4 1423 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100011216346 [0,1,1,0,0,0|2,0,0]=4 1424 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)F 34a_100000210426_100011216346 [0,1,1,0,0,0|2,0,0]=4 1425 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100011216346 [0,1,1,0,0,0|2,0,0]=4 1426 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)I 34a_100000211634_100011216346 [0,1,1,0,0,0|2,0,0]=4 1427 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100011216346 [0,1,1,0,0,0|2,0,0]=4 1428 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)N 34a_100000210217_100011216346 [0,1,1,0,0,0|2,0,0]=4 1429 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)O 271570a_203496583355_200011537522 [0,1,1,0,0,0|2,0,0]=4 1430 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100011216346 [0,1,1,0,0,0|2,0,0]=4 1431 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Br 62a_100011216346_100000691529 [0,1,1,0,0,0|2,0,0]=4 1432 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100011216346 [0,1,1,0,0,0|2,0,0]=4 1433 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)C 62a_100011216346_100011215228 [0,1,1,0,0,0|2,0,0]=4 1434 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100011216346 [0,1,1,0,0,0|2,0,0]=4 1435 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Cl 62a_100011216346_100000699651 [0,1,1,0,0,0|2,0,0]=4 1436 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100011216346 [0,1,1,0,0,0|2,0,0]=4 1437 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)F 62a_100011216346_100000685547 [0,1,1,0,0,0|2,0,0]=4 1438 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100011216346 [0,1,1,0,0,0|2,0,0]=4 1439 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)N 62a_100011216346_100000210019 [0,1,1,0,0,0|2,0,0]=4 1440 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)O 271570a_203496583355_200011756048 [0,1,1,0,0,0|2,0,0]=4 1441 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)O 62a_100011216346_100000211634 [0,1,1,0,0,0|2,0,0]=4 1442 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)[S] 62a_100011216346_114929384022 [0,1,1,0,0,0|2,0,0]=4 1443 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100011216346 [0,1,1,0,0,0|2,0,0]=4 1444 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)Br 34a_100000210019_100000760018 [0,1,1,0,0,0|2,0,0]=4 1445 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)C 2230a_100000188690_100000760018 [0,1,1,0,0,0|2,0,0]=4 1446 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)C 34a_100000188690_100000760018 [0,1,1,0,0,0|2,0,0]=4 1447 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)Cl 34a_100000185859_100000760018 [0,1,1,0,0,0|2,0,0]=4 1448 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)F 34a_100000210047_100000760018 [0,1,1,0,0,0|2,0,0]=4 1449 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)I 34a_100000211102_100000760018 [0,1,1,0,0,0|2,0,0]=4 1450 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100000760018 [0,1,1,0,0,0|2,0,0]=4 1451 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Br 34a_100000210342_100000760018 [0,1,1,0,0,0|2,0,0]=4 1452 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Br 7a_100000210342_100000040065 [0,1,1,0,0,0|2,0,0]=4 1453 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)C 34a_100000210337_100000760018 [0,1,1,0,0,0|2,0,0]=4 1454 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)C 7a_100000210337_100000040065 [0,1,1,0,0,0|2,0,0]=4 1455 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Cl 34a_100000210295_100000760018 [0,1,1,0,0,0|2,0,0]=4 1456 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Cl 7a_100000210295_100000040065 [0,1,1,0,0,0|2,0,0]=4 1457 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100000760018 [0,1,1,0,0,0|2,0,0]=4 1458 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100000040065 [0,1,1,0,0,0|2,0,0]=4 1459 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100000760018 [0,1,1,0,0,0|2,0,0]=4 1460 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100000040065 [0,1,1,0,0,0|2,0,0]=4 1461 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)N 34a_100000210217_100000760018 [0,1,1,0,0,0|2,0,0]=4 1462 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Br 62a_100000691529_100000760018 [0,1,1,0,0,0|2,0,0]=4 1463 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Br 62a_100000760018_100000691529 [0,1,1,0,0,0|2,0,0]=4 1464 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)C 62a_100000760018_100011215228 [0,1,1,0,0,0|2,0,0]=4 1465 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)C 62a_100011215228_100000760018 [0,1,1,0,0,0|2,0,0]=4 1466 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Cl 62a_100000699651_100000760018 [0,1,1,0,0,0|2,0,0]=4 1467 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Cl 62a_100000760018_100000699651 [0,1,1,0,0,0|2,0,0]=4 1468 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)F 62a_100000685547_100000760018 [0,1,1,0,0,0|2,0,0]=4 1469 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)F 62a_100000760018_100000685547 [0,1,1,0,0,0|2,0,0]=4 1470 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)N 62a_100000210019_100000760018 [0,1,1,0,0,0|2,0,0]=4 1471 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)N 62a_100000760018_100000210019 [0,1,1,0,0,0|2,0,0]=4 1472 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)O 62a_100000760018_100000211634 [0,1,1,0,0,0|2,0,0]=4 1473 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)[S] 62a_100000760018_114929384022 [0,1,1,0,0,0|2,0,0]=4 1474 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)[S] 62a_114929384022_100000760018 [0,1,1,0,0,0|2,0,0]=4 1475 B15R1.49 CNNC(=O)C(O)Cc1cccc(c1)Br 22a_100016993582_100012362086 [0,1,1,0,0,0|2,0,0]=4 1476 B15R1.49 CNNC(=O)[C@@H](O)Cc1cccc(c1)F 22a_100016993582_200016142683 [0,1,1,0,0,0|2,0,0]=4 1477 B15R1.49 O=C(CCF)C(O)Cc1cccc(c1)Br 1458a_100012362086_100011217306 [0,1,1,0,0,0|2,0,0]=4 1478 B15R1.49 O=C(CCF)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100011217306 [0,1,1,0,0,0|2,0,0]=4 1479 B15R1.49 O=C(CCO)C(O)Cc1cccc(c1)Br 1458a_100012362086_100000211926 [0,1,1,0,0,0|2,0,0]=4 1480 B15R1.49 O=C(CCO)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100000211926 [0,1,1,0,0,0|2,0,0]=4 1481 B15R1.496 C=C(C)CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000748629 [0,1,1,0,0,0|1,0,1]=4 1482 B15R1.496 CC(C)CC(=O)C(C)Cc1ccccc1 1458a_100000210554_200011218536 [0,1,1,0,0,0|2,0,0]=4 1483 B15R1.496 CC(C)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210624 [0,1,1,0,0,0|2,0,0]=4 1484 B15R1.496 CC(C)CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210624 [0,1,1,0,0,0|1,0,0]=3 1485 B15R1.496 CC(C)NC(=O)C(C)Cc1ccccc1 11a_100138425928_100000754839 [0,1,1,0,0,0|2,0,0]=4 1486 B15R1.496 CC(C)NC(=O)C(C)Cc1ccccc1 1626a_100138425928_100000754839 [0,1,1,0,0,0|2,0,0]=4 1487 B15R1.496 CC(C)NC(=O)C(C)Cc1ccccc1 240690a_100138425928_100000754839 [0,1,1,0,0,0|2,0,0]=4 1488 B15R1.496 CC(C)NC(=O)C(C)Cc1ccccc1 527a_100138425928_100000754839 [0,1,1,0,0,0|2,0,0]=4 1489 B15R1.496 CC(C)NC(=O)[C@H](O)Cc1ccccc1 240690a_100138425928_100009816399 [0,1,1,0,0,0|1,0,0]=3 1490 B15R1.496 CC(Cc1ccccc1)C(=O)C[C@@H](C)O 1458a_100011933948_200011218536 [0,1,1,0,0,0|2,0,0]=4 1491 B15R1.496 CC(O)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100011218427 [0,1,1,0,0,0|2,0,0]=4 1492 B15R1.496 CC(O)CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011218427 [0,1,1,0,0,0|1,0,0]=3 1493 B15R1.496 O=C(CC(F)F)[C@H](O)Cc1ccccc1 1458a_100009816399_100011934356 [0,1,1,0,0,0|2,0,0]=4 1494 B15R1.551 C#CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000753159 [0,1,1,0,0,0|1,0,1]=4 1495 B15R1.551 C#CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100000212058_100009816399 [0,1,1,0,0,0|1,0,1]=4 1496 B15R1.551 C/C=C/CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100102629194 [0,1,1,0,0,0|1,0,1]=4 1497 B15R1.551 C=CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000754431 [0,1,1,0,0,0|1,0,1]=4 1498 B15R1.551 C=CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100020586998_100009816399 [0,1,1,0,0,0|1,0,1]=4 1499 B15R1.551 CC#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000748600 [0,1,1,0,0,0|1,0,1]=4 1500 B15R1.551 CC(Cc1ccccc1)C(=O)CCCF 1458a_100000754839_100011934791 [0,1,1,0,0,0|2,0,0]=4 1501 B15R1.551 CC(Cc1ccccc1)C(=O)CCCO 1458a_100000754839_100011215043 [0,1,1,0,0,0|2,0,0]=4 1502 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 11a_100000724931_100000754839 [0,1,1,0,0,0|2,0,0]=4 1503 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 1626a_100000724931_100000754839 [0,1,1,0,0,0|2,0,0]=4 1504 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 240690a_100000724931_100000754839 [0,1,1,0,0,0|2,0,0]=4 1505 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 527a_100000724931_100000754839 [0,1,1,0,0,0|2,0,0]=4 1506 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000754839 [0,1,1,0,0,0|2,0,0]=4 1507 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000754839 [0,1,1,0,0,0|2,0,0]=4 1508 B15R1.551 CC=CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000070051 [0,1,1,0,0,0|1,0,1]=4 1509 B15R1.551 CCC#CC(=O)C(C)Cc1ccccc1 1458a_100011827653_200011218536 [0,1,1,0,0,0|2,0,0]=4 1510 B15R1.551 CCC=CC(=O)C(C)Cc1ccccc1 1458a_100000212282_200011218536 [0,1,1,0,0,0|2,0,0]=4 1511 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000210183_200011218536 [0,1,1,0,0,0|2,0,0]=4 1512 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210211 [0,1,1,0,0,0|2,0,0]=4 1513 B15R1.551 CCCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210211 [0,1,1,0,0,0|1,0,0]=3 1514 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 11a_100020643023_100000754839 [0,1,1,0,0,0|2,0,0]=4 1515 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 1626a_100020643023_100000754839 [0,1,1,0,0,0|2,0,0]=4 1516 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 240690a_100020643023_100000754839 [0,1,1,0,0,0|2,0,0]=4 1517 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 527a_100020643023_100000754839 [0,1,1,0,0,0|2,0,0]=4 1518 B15R1.551 CCCNC(=O)[C@H](O)Cc1ccccc1 240690a_100020643023_100009816399 [0,1,1,0,0,0|1,0,0]=3 1519 B15R1.551 CCCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100000760410 [0,1,1,0,0,0|2,0,0]=4 1520 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100000760410 [0,1,1,0,0,0|2,0,0]=4 1521 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100000760410 [0,1,1,0,0,0|2,0,0]=4 1522 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100000760410 [0,1,1,0,0,0|2,0,0]=4 1523 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000760410_100000041952 [0,1,1,0,0,0|2,0,0]=4 1524 B15R1.551 CCNNC(=O)C(C)Cc1ccccc1 22a_100000756455_100000754839 [0,1,1,0,0,0|2,0,0]=4 1525 B15R1.551 CCNNC(=O)[C@H](O)Cc1ccccc1 22a_100000756455_100009816399 [0,1,1,0,0,0|1,0,0]=3 1526 B15R1.551 CCOCC(=O)C(C)Cc1ccccc1 1458a_100000211967_200011218536 [0,1,1,0,0,0|1,0,0]=3 1527 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000211967 [0,1,1,0,0,0|2,0,0]=4 1528 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000211967 [0,1,1,0,0,0|2,0,0]=4 1529 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000211967 [0,1,1,0,0,0|2,0,0]=4 1530 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 34a_100121572206_100000182870 [0,1,1,0,0,0|2,0,0]=4 1531 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000211967 [0,1,1,0,0,0|2,0,0]=4 1532 B15R1.551 CCSCC(=O)C(C)Cc1ccccc1 1458a_100000230394_200011218536 [0,1,1,0,0,0|1,1,0]=4 1533 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000749529_200011218536 [0,1,1,0,0,0|2,0,0]=4 1534 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000233755 [0,1,1,0,0,0|2,0,0]=4 1535 B15R1.551 COCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000233755 [0,1,1,0,0,0|1,0,0]=3 1536 B15R1.551 CSCCC(=O)C(C)Cc1ccccc1 1458a_100000174002_200011218536 [0,1,1,0,0,0|2,0,0]=4 1537 B15R1.551 CSCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000751147 [0,1,1,0,0,0|2,0,0]=4 1538 B15R1.551 CSCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000751147 [0,1,1,0,0,0|1,0,0]=3 1539 B15R1.551 N#CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011215226 [0,1,1,0,0,0|1,0,1]=4 1540 B15R1.551 O=C(CCCF)[C@H](O)Cc1ccccc1 1458a_100009816399_100011934791 [0,1,1,0,0,0|1,0,0]=3 1541 B15R1.551 O=C(CCCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100011215043 [0,1,1,0,0,0|1,0,0]=3 1542 B15R1.551 O=C(NCCF)[C@H](O)Cc1ccccc1 240690a_100000724931_100009816399 [0,1,1,0,0,0|1,0,0]=3 1543 B15R1.551 O=C(NCCO)[C@H](O)Cc1ccccc1 240690a_100000210304_100009816399 [0,1,1,0,0,0|1,0,0]=3 1544 B15R1.640 CCCC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_100000210303 [0,1,1,0,0,0|2,0,0]=4 1545 B15R1.640 CCCC(=O)C(C#N)Cc1ccccc1 1458a_100000211992_100000183401 [0,1,1,0,0,0|2,0,0]=4 1546 B15R1.640 CCNC(=O)C(C#N)Cc1ccccc1 11a_100015525214_100000075392 [0,1,1,0,0,0|2,0,0]=4 1547 B15R1.640 CCNC(=O)C(C#N)Cc1ccccc1 240690a_100015525214_100000075392 [0,1,1,0,0,0|2,0,0]=4 1548 B15R1.640 CCNC(=O)C(C#N)Cc1ccccc1 527a_100015525214_100000075392 [0,1,1,0,0,0|2,0,0]=4 1549 B15R1.640 CCOC(=O)C(C=O)Sc1ccccc1 62a_100000053139_100000041952 [0,1,1,0,0,0|1,0,1]=4 1550 B15R1.640 CCOC(=O)C(C=O)Sc1ccccc1 62a_100000719477_100000053139 [0,1,1,0,0,0|1,0,1]=4 1551 B15R1.640 CCOC(=O)C(CC)Nc1ccccc1 34a_100000106764_100000212269 [0,1,1,0,0,0|2,0,0]=4 1552 B15R1.640 CCOC(=O)C(CC)Oc1ccccc1 34a_100000210340_100000212269 [0,1,1,0,0,0|2,0,0]=4 1553 B15R1.640 CCOC(=O)C(CC)Oc1ccccc1 7a_100000210340_100000212269 [0,1,1,0,0,0|2,0,0]=4 1554 B15R1.640 CCOC(=O)C(CC)Sc1ccccc1 62a_100000212269_100000041952 [0,1,1,0,0,0|2,0,0]=4 1555 B15R1.640 CCOC(=O)C(CC)Sc1ccccc1 62a_100000719477_100000212269 [0,1,1,0,0,0|2,0,0]=4 1556 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC 34a_100102657272_100000742553 [0,1,1,0,0,0|1,0,0]=3 1557 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC 7a_106832991635_100000742553 [0,1,1,0,0,0|1,0,0]=3 1558 B15R1.640 CCOC(=O)C(Cc1ccccc1)OC 34a_100138415774_100000742553 [0,1,1,0,0,0|0,0,0]=2 1559 B15R1.640 CCOC(=O)C(Cc1ccccc1)OC 7a_100000758422_200000210301 [0,1,1,0,0,0|0,0,0]=2 1560 B15R1.640 CCOC(=O)C(Cc1ccccc1)O[13CH3] 7a_100000758422_200025704644 [0,1,1,0,0,0|0,0,0]=2 1561 B15R1.640 CCOC(=O)C(Cc1ccccc1)SC 62a_100000742553_200000210301 [0,1,1,0,0,0|0,1,0]=3 1562 B15R1.640 CCOC(=O)C(Cc1ccccc1)SC 62a_200000210301_100000742553 [0,1,1,0,0,0|0,1,0]=3 1563 B15R1.640 CCOC(=O)C(Cc1ccccc1)S[13CH3] 62a_100000742553_200025704644 [0,1,1,0,0,0|0,1,0]=3 1564 B15R1.640 CCOC(=O)C(Cc1ccccc1)S[13CH3] 62a_200025704644_100000742553 [0,1,1,0,0,0|0,1,0]=3 1565 B15R1.640 CCOC(=O)C(Nc1ccccc1)SC 34a_100000106764_100009893047 [0,1,1,0,0,0|1,1,0]=4 1566 B15R1.640 CCOC(=O)C(Oc1ccccc1)SC 34a_100000210340_100009893047 [0,1,1,0,0,0|1,1,0]=4 1567 B15R1.640 CCOC(=O)C(SC)Sc1ccccc1 62a_100000719477_100009893047 [0,1,1,0,0,0|1,1,0]=4 1568 B15R1.640 CCOC(=O)C(SC)Sc1ccccc1 62a_100009893047_100000041952 [0,1,1,0,0,0|1,1,0]=4 1569 B15R1.973 CCC(C)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100000758301 [0,1,1,0,0,0|2,0,0]=4 1570 B15R1.973 CCC(C)C(=O)C(C)Cc1ccccc1 1458a_100011192722_200011218536 [0,1,1,0,0,0|2,0,0]=4 1571 B15R1.973 CCC(C)C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000758301 [0,1,1,0,0,0|1,0,0]=3 1572 B15R1.973 CCC(O)C(=O)C(C)Cc1ccccc1 1458a_100011196387_200011218536 [0,1,1,0,0,0|2,0,0]=4 1573 B15R1.973 CCN(C)C(=O)C(C)Cc1ccccc1 11a_100000225621_100000754839 [0,1,1,0,0,0|2,0,0]=4 1574 B15R1.973 CCN(C)C(=O)C(C)Cc1ccccc1 1626a_100000225621_100000754839 [0,1,1,0,0,0|2,0,0]=4 1575 B15R1.973 CCN(C)C(=O)C(C)Cc1ccccc1 240690a_100000225621_100000754839 [0,1,1,0,0,0|2,0,0]=4 1576 B15R1.973 CCN(C)C(=O)C(C)Cc1ccccc1 527a_100000225621_100000754839 [0,1,1,0,0,0|2,0,0]=4 1577 B15R1.973 CCN(C)C(=O)[C@H](O)Cc1ccccc1 240690a_100000225621_100009816399 [0,1,1,0,0,0|1,0,0]=3 1578 B15R1.3960 CCCC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_100000210303 [0,1,1,0,0,0|1,0,0]=3 1579 B15R1.3960 CCCC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_100000210303 [0,1,1,0,0,0|1,0,0]=3 1580 B15R1.3960 CCNC(=O)C(O)Cc1ccccc1Br 240690a_100015525214_100012382637 [0,1,1,0,0,0|1,0,0]=3 1581 B15R1.3960 CCNC(=O)C(O)Cc1ccccc1Cl 240690a_100015525214_100000703902 [0,1,1,0,0,0|1,0,0]=3 1582 B15R1.3960 CCNC(=O)C(O)Cc1ccccc1Cl 527a_100015525214_100000703902 [0,1,1,0,0,0|1,0,0]=3 1583 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1Br 34a_100000210017_100011216346 [0,1,1,0,0,0|2,0,0]=4 1584 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1C 34a_100015192222_100011216346 [0,1,1,0,0,0|2,0,0]=4 1585 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1Cl 34a_100000185783_100011216346 [0,1,1,0,0,0|2,0,0]=4 1586 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1F 34a_100000210422_100011216346 [0,1,1,0,0,0|2,0,0]=4 1587 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1I 34a_100000210053_100011216346 [0,1,1,0,0,0|2,0,0]=4 1588 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1O 34a_100000185747_100011216346 [0,1,1,0,0,0|2,0,0]=4 1589 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Br 34a_100000181306_100011216346 [0,1,1,0,0,0|2,0,0]=4 1590 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100011216346 [0,1,1,0,0,0|2,0,0]=4 1591 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1C 34a_100000210338_100011216346 [0,1,1,0,0,0|2,0,0]=4 1592 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1C 7a_100000210338_100011216346 [0,1,1,0,0,0|2,0,0]=4 1593 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Cl 34a_100000210172_100011216346 [0,1,1,0,0,0|2,0,0]=4 1594 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100011216346 [0,1,1,0,0,0|2,0,0]=4 1595 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1F 34a_100000210171_100011216346 [0,1,1,0,0,0|2,0,0]=4 1596 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1F 7a_100000210171_100011216346 [0,1,1,0,0,0|2,0,0]=4 1597 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1I 34a_100000739446_100011216346 [0,1,1,0,0,0|2,0,0]=4 1598 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1I 7a_100000739446_100011216346 [0,1,1,0,0,0|2,0,0]=4 1599 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1N 34a_100000185747_100011216346 [0,1,1,0,0,0|2,0,0]=4 1600 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1N 7a_100000185747_100011216346 [0,1,1,0,0,0|2,0,0]=4 1601 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100011216346 [0,1,1,0,0,0|2,0,0]=4 1602 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Br 62a_100011216346_100000695589 [0,1,1,0,0,0|2,0,0]=4 1603 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1C 62a_100000210755_100011216346 [0,1,1,0,0,0|2,0,0]=4 1604 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1C 62a_100011216346_100000210755 [0,1,1,0,0,0|2,0,0]=4 1605 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100011216346 [0,1,1,0,0,0|2,0,0]=4 1606 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Cl 62a_100011216346_100000764095 [0,1,1,0,0,0|2,0,0]=4 1607 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1F 62a_100011215700_100011216346 [0,1,1,0,0,0|2,0,0]=4 1608 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1F 62a_100011216346_100011215700 [0,1,1,0,0,0|2,0,0]=4 1609 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1N 62a_100000210017_100011216346 [0,1,1,0,0,0|2,0,0]=4 1610 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1N 62a_100011216346_100000210017 [0,1,1,0,0,0|2,0,0]=4 1611 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1O 62a_100000739446_100011216346 [0,1,1,0,0,0|2,0,0]=4 1612 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1O 62a_100011216346_100000739446 [0,1,1,0,0,0|2,0,0]=4 1613 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1Br 34a_100000210017_100000760018 [0,1,1,0,0,0|2,0,0]=4 1614 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1C 34a_100015192222_100000760018 [0,1,1,0,0,0|2,0,0]=4 1615 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1Cl 34a_100000185783_100000760018 [0,1,1,0,0,0|2,0,0]=4 1616 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1F 34a_100000210422_100000760018 [0,1,1,0,0,0|2,0,0]=4 1617 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1I 34a_100000210053_100000760018 [0,1,1,0,0,0|2,0,0]=4 1618 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1O 34a_100000185747_100000760018 [0,1,1,0,0,0|2,0,0]=4 1619 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Br 34a_100000181306_100000760018 [0,1,1,0,0,0|2,0,0]=4 1620 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Br 7a_100000181306_100000040065 [0,1,1,0,0,0|2,0,0]=4 1621 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1C 34a_100000210338_100000760018 [0,1,1,0,0,0|2,0,0]=4 1622 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1C 7a_100000210338_100000040065 [0,1,1,0,0,0|2,0,0]=4 1623 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Cl 34a_100000210172_100000760018 [0,1,1,0,0,0|2,0,0]=4 1624 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Cl 7a_100000210172_100000040065 [0,1,1,0,0,0|2,0,0]=4 1625 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1F 34a_100000210171_100000760018 [0,1,1,0,0,0|2,0,0]=4 1626 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1F 7a_100000210171_100000040065 [0,1,1,0,0,0|2,0,0]=4 1627 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1I 34a_100000739446_100000760018 [0,1,1,0,0,0|2,0,0]=4 1628 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1I 7a_100000739446_100000040065 [0,1,1,0,0,0|2,0,0]=4 1629 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1N 34a_100000185747_100000760018 [0,1,1,0,0,0|2,0,0]=4 1630 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1N 7a_100000185747_100000040065 [0,1,1,0,0,0|2,0,0]=4 1631 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Br 62a_100000695589_100000760018 [0,1,1,0,0,0|2,0,0]=4 1632 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Br 62a_100000760018_100000695589 [0,1,1,0,0,0|2,0,0]=4 1633 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1C 62a_100000210755_100000760018 [0,1,1,0,0,0|2,0,0]=4 1634 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1C 62a_100000760018_100000210755 [0,1,1,0,0,0|2,0,0]=4 1635 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Cl 62a_100000760018_100000764095 [0,1,1,0,0,0|2,0,0]=4 1636 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Cl 62a_100000764095_100000760018 [0,1,1,0,0,0|2,0,0]=4 1637 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1F 62a_100000760018_100011215700 [0,1,1,0,0,0|2,0,0]=4 1638 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1F 62a_100011215700_100000760018 [0,1,1,0,0,0|2,0,0]=4 1639 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1N 62a_100000210017_100000760018 [0,1,1,0,0,0|2,0,0]=4 1640 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1N 62a_100000760018_100000210017 [0,1,1,0,0,0|2,0,0]=4 1641 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1O 62a_100000739446_100000760018 [0,1,1,0,0,0|2,0,0]=4 1642 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1O 62a_100000760018_100000739446 [0,1,1,0,0,0|2,0,0]=4 1643 B15R1.3960 CNNC(=O)C(O)Cc1ccccc1Br 22a_100016993582_100012382637 [0,1,1,0,0,0|2,0,0]=4 1644 B15R1.3960 CNNC(=O)C(O)Cc1ccccc1Cl 22a_100016993582_100000703902 [0,1,1,0,0,0|2,0,0]=4 1645 B15R1.3960 O=C(CCF)C(O)Cc1ccccc1Br 1458a_100012382637_100011217306 [0,1,1,0,0,0|2,0,0]=4 1646 B15R1.3960 O=C(CCF)C(O)Cc1ccccc1Cl 1458a_100000703902_100011217306 [0,1,1,0,0,0|2,0,0]=4 1647 B15R1.3960 O=C(CCO)C(O)Cc1ccccc1Br 1458a_100012382637_100000211926 [0,1,1,0,0,0|2,0,0]=4 1648 B15R1.3960 O=C(CCO)C(O)Cc1ccccc1Cl 1458a_100000703902_100000211926 [0,1,1,0,0,0|2,0,0]=4 1649 B15R1.10540 CCCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000210303 [0,1,1,0,0,0|2,0,0]=4 1650 B15R1.10540 CCNC(=O)C(C)(C)Cc1ccccc1 11a_100015525214_100000757416 [0,1,1,0,0,0|2,0,0]=4 1651 B15R1.10540 CCNC(=O)C(C)(C)Cc1ccccc1 240690a_100015525214_100000757416 [0,1,1,0,0,0|2,0,0]=4 1652 B15R1.10540 CCNC(=O)C(C)(C)Cc1ccccc1 527a_100015525214_100000757416 [0,1,1,0,0,0|2,0,0]=4 1653 B15R1.10540 CCOC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100011216345 [0,1,1,0,0,0|2,0,0]=4 1654 B15R1.10540 CCOC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100011216345 [0,1,1,0,0,0|2,0,0]=4 1655 B15R1.10540 CCOC(=O)C(C)(C)Sc1ccccc1 62a_100011216345_100000041952 [0,1,1,0,0,0|2,0,0]=4 1656 B15R1.10540 CCOC(=O)C(F)(F)Nc1ccccc1 34a_100000106764_100000210910 [0,1,1,0,0,0|2,0,0]=4 1657 B15R1.10540 CCOC(=O)C(F)(F)Oc1ccccc1 34a_100000210340_100000210910 [0,1,1,0,0,0|2,0,0]=4 1658 B15R1.10540 CCOC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100000210910 [0,1,1,0,0,0|2,0,0]=4 1659 B15R1.10540 CCOC(=O)C(F)(F)Sc1ccccc1 62a_100000210910_100000041952 [0,1,1,0,0,0|2,0,0]=4 1660 B15R1.10540 CCOC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100000210910 [0,1,1,0,0,0|2,0,0]=4 1661 B15R1.11 C=COC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000036128 [0,1,1,0,0,0|0,0,2]=4 1662 B15R1.11 C=COC(=O)COCc1ccc(cc1)C 34a_100011215236_100000036128 [0,1,1,0,0,0|0,0,2]=4 1663 B15R1.11 C=COC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000036128 [0,1,1,0,0,0|0,0,2]=4 1664 B15R1.11 C=COC(=O)COCc1ccc(cc1)F 34a_100000210977_100000036128 [0,1,1,0,0,0|0,0,2]=4 1665 B15R1.11 C=COC(=O)COCc1ccc(cc1)I 34a_100000690907_100000036128 [0,1,1,0,0,0|0,0,2]=4 1666 B15R1.11 C=COC(=O)COCc1ccc(cc1)N 34a_100011215238_100000036128 [0,1,1,0,0,0|0,0,2]=4 1667 B15R1.11 CCCC(=O)CCCc1ccc(cc1)Br 1458a_100000211992_100011713682 [0,1,1,0,0,0|2,0,0]=4 1668 B15R1.11 CCCC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_100000210303 [0,1,1,0,0,0|2,0,0]=4 1669 B15R1.11 CCCC(=O)CCCc1ccc(cc1)C 1458a_100000741418_100000210303 [0,1,1,0,0,0|2,0,0]=4 1670 B15R1.11 CCCC(=O)CCCc1ccc(cc1)Cl 1458a_100000211992_100000759440 [0,1,1,0,0,0|2,0,0]=4 1671 B15R1.11 CCCC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_100000210303 [0,1,1,0,0,0|2,0,0]=4 1672 B15R1.11 CCCC(=O)CCCc1ccc(cc1)F 1458a_100000211992_200011713563 [0,1,1,0,0,0|2,0,0]=4 1673 B15R1.11 CCCC(=O)CCCc1ccc(cc1)F 1458a_100011219804_100000210303 [0,1,1,0,0,0|2,0,0]=4 1674 B15R1.11 CCCC(=O)CCCc1ccc(cc1)I 1458a_100011236544_100000210303 [0,1,1,0,0,0|2,0,0]=4 1675 B15R1.11 CCCC(=O)CCCc1ccc(cc1)O 1458a_100000116853_100000210303 [0,1,1,0,0,0|2,0,0]=4 1676 B15R1.11 CCCC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747444 [0,1,1,0,0,0|2,0,0]=4 1677 B15R1.11 CCCC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000747444 [0,1,1,0,0,0|2,0,0]=4 1678 B15R1.11 CCCC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747444 [0,1,1,0,0,0|2,0,0]=4 1679 B15R1.11 CCCC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747444 [0,1,1,0,0,0|2,0,0]=4 1680 B15R1.11 CCCC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747444 [0,1,1,0,0,0|2,0,0]=4 1681 B15R1.11 CCCC(=O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000747444 [0,1,1,0,0,0|2,0,0]=4 1682 B15R1.11 CCCC(=O)COCc1ccc(cc1)Br 1458a_200012349173_100000210303 [0,1,1,0,0,0|1,0,0]=3 1683 B15R1.11 CCCC(=O)COCc1ccc(cc1)C 7a_100011215236_100000747444 [0,1,1,0,0,0|1,0,0]=3 1684 B15R1.11 CCCC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000747444 [0,1,1,0,0,0|1,0,0]=3 1685 B15R1.11 CCCC(=O)COCc1ccc(cc1)F 7a_100000210977_100000747444 [0,1,1,0,0,0|1,0,0]=3 1686 B15R1.11 CCCC(=O)COCc1ccc(cc1)I 7a_100000690907_100000747444 [0,1,1,0,0,0|1,0,0]=3 1687 B15R1.11 CCCC(=O)COCc1ccc(nc1)Br 7a_100009816760_100000747444 [0,1,1,0,0,0|2,0,0]=4 1688 B15R1.11 CCCC(=O)COCc1ccc(nc1)Cl 7a_100000755211_100000747444 [0,1,1,0,0,0|2,0,0]=4 1689 B15R1.11 CCCC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_100000210303 [0,1,1,0,0,0|1,1,0]=4 1690 B15R1.11 CCCC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747444 [0,1,1,0,0,0|1,1,0]=4 1691 B15R1.11 CCCC(=O)CSCc1ccc(cc1)Br 62a_100000747444_100000189115 [0,1,1,0,0,0|1,1,0]=4 1692 B15R1.11 CCCC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000747444 [0,1,1,0,0,0|1,1,0]=4 1693 B15R1.11 CCCC(=O)CSCc1ccc(cc1)C 62a_100000747444_100000210814 [0,1,1,0,0,0|1,1,0]=4 1694 B15R1.11 CCCC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_100000210303 [0,1,1,0,0,0|1,1,0]=4 1695 B15R1.11 CCCC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747444 [0,1,1,0,0,0|1,1,0]=4 1696 B15R1.11 CCCC(=O)CSCc1ccc(cc1)Cl 62a_100000747444_100000187161 [0,1,1,0,0,0|1,1,0]=4 1697 B15R1.11 CCCC(=O)CSCc1ccc(cc1)F 1458a_100000150272_100000210303 [0,1,1,0,0,0|1,1,0]=4 1698 B15R1.11 CCCC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747444 [0,1,1,0,0,0|1,1,0]=4 1699 B15R1.11 CCCC(=O)CSCc1ccc(cc1)F 62a_100000747444_100000187164 [0,1,1,0,0,0|1,1,0]=4 1700 B15R1.11 CCCC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747444 [0,1,1,0,0,0|1,1,0]=4 1701 B15R1.11 CCCC(=O)CSCc1ccc(cc1)I 62a_100000747444_100000189116 [0,1,1,0,0,0|1,1,0]=4 1702 B15R1.11 CCNC(=O)CCCc1ccc(cc1)Br 11a_100015525214_100011236545 [0,1,1,0,0,0|2,0,0]=4 1703 B15R1.11 CCNC(=O)CCCc1ccc(cc1)Br 240690a_100015525214_100011236545 [0,1,1,0,0,0|2,0,0]=4 1704 B15R1.11 CCNC(=O)CCCc1ccc(cc1)Br 527a_100015525214_100011236545 [0,1,1,0,0,0|2,0,0]=4 1705 B15R1.11 CCNC(=O)CCCc1ccc(cc1)C 11a_100015525214_100000741418 [0,1,1,0,0,0|2,0,0]=4 1706 B15R1.11 CCNC(=O)CCCc1ccc(cc1)C 240690a_100015525214_100000741418 [0,1,1,0,0,0|2,0,0]=4 1707 B15R1.11 CCNC(=O)CCCc1ccc(cc1)C 527a_100015525214_100000741418 [0,1,1,0,0,0|2,0,0]=4 1708 B15R1.11 CCNC(=O)CCCc1ccc(cc1)Cl 11a_100015525214_100000741339 [0,1,1,0,0,0|2,0,0]=4 1709 B15R1.11 CCNC(=O)CCCc1ccc(cc1)Cl 240690a_100015525214_100000741339 [0,1,1,0,0,0|2,0,0]=4 1710 B15R1.11 CCNC(=O)CCCc1ccc(cc1)Cl 527a_100015525214_100000741339 [0,1,1,0,0,0|2,0,0]=4 1711 B15R1.11 CCNC(=O)CCCc1ccc(cc1)F 11a_100015525214_100011219804 [0,1,1,0,0,0|2,0,0]=4 1712 B15R1.11 CCNC(=O)CCCc1ccc(cc1)F 240690a_100015525214_100011219804 [0,1,1,0,0,0|2,0,0]=4 1713 B15R1.11 CCNC(=O)CCCc1ccc(cc1)F 527a_100015525214_100011219804 [0,1,1,0,0,0|2,0,0]=4 1714 B15R1.11 CCNC(=O)CCCc1ccc(cc1)I 11a_100015525214_100011236544 [0,1,1,0,0,0|2,0,0]=4 1715 B15R1.11 CCNC(=O)CCCc1ccc(cc1)I 240690a_100015525214_100011236544 [0,1,1,0,0,0|2,0,0]=4 1716 B15R1.11 CCNC(=O)CCCc1ccc(cc1)I 527a_100015525214_100011236544 [0,1,1,0,0,0|2,0,0]=4 1717 B15R1.11 CCNC(=O)CCCc1ccc(cc1)O 240690a_100015525214_100000116853 [0,1,1,0,0,0|2,0,0]=4 1718 B15R1.11 CCNC(=O)CCCc1ccc(cc1)O 527a_100015525214_100000116853 [0,1,1,0,0,0|2,0,0]=4 1719 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000183381 [0,1,1,0,0,0|2,0,0]=4 1720 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Br 2230a_100016988866_100011217064 [0,1,1,0,0,0|2,0,0]=4 1721 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Br 270004a_100016988866_100000186029 [0,1,1,0,0,0|2,0,0]=4 1722 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000183381 [0,1,1,0,0,0|2,0,0]=4 1723 B15R1.11 CCNC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000183381 [0,1,1,0,0,0|2,0,0]=4 1724 B15R1.11 CCNC(=O)CNCc1ccc(cc1)C 2230a_100016988866_100000210814 [0,1,1,0,0,0|2,0,0]=4 1725 B15R1.11 CCNC(=O)CNCc1ccc(cc1)C 270004a_100016988866_100000211033 [0,1,1,0,0,0|2,0,0]=4 1726 B15R1.11 CCNC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000183381 [0,1,1,0,0,0|2,0,0]=4 1727 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000183381 [0,1,1,0,0,0|2,0,0]=4 1728 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Cl 2230a_100016988866_100000694040 [0,1,1,0,0,0|2,0,0]=4 1729 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Cl 270004a_100016988866_100000189385 [0,1,1,0,0,0|2,0,0]=4 1730 B15R1.11 CCNC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000183381 [0,1,1,0,0,0|2,0,0]=4 1731 B15R1.11 CCNC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000183381 [0,1,1,0,0,0|2,0,0]=4 1732 B15R1.11 CCNC(=O)CNCc1ccc(cc1)F 2230a_100016988866_100000198546 [0,1,1,0,0,0|2,0,0]=4 1733 B15R1.11 CCNC(=O)CNCc1ccc(cc1)F 270004a_100016988866_100000210084 [0,1,1,0,0,0|2,0,0]=4 1734 B15R1.11 CCNC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000183381 [0,1,1,0,0,0|2,0,0]=4 1735 B15R1.11 CCNC(=O)CNCc1ccc(cc1)I 2230a_100016988866_100000189116 [0,1,1,0,0,0|2,0,0]=4 1736 B15R1.11 CCNC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000183381 [0,1,1,0,0,0|2,0,0]=4 1737 B15R1.11 CCNC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000183381 [0,1,1,0,0,0|2,0,0]=4 1738 B15R1.11 CCNC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000183381 [0,1,1,0,0,0|2,0,0]=4 1739 B15R1.11 CCNC(=O)COCc1cc[n+](cc1)C 34a_100009831711_100000183381 [0,1,1,0,0,0|2,0,0]=4 1740 B15R1.11 CCNC(=O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000183381 [0,1,1,0,0,0|2,0,0]=4 1741 B15R1.11 CCNC(=O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000183381 [0,1,1,0,0,0|2,0,0]=4 1742 B15R1.11 CCNC(=O)COCc1ccc(=O)[nH]c1 34a_100011999846_100000183381 [0,1,1,0,0,0|2,0,0]=4 1743 B15R1.11 CCNC(=O)COCc1ccc(cc1)Br 11a_100015525214_200012349173 [0,1,1,0,0,0|1,0,0]=3 1744 B15R1.11 CCNC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000183381 [0,1,1,0,0,0|1,0,0]=3 1745 B15R1.11 CCNC(=O)COCc1ccc(cc1)Br 527a_100015525214_200012349173 [0,1,1,0,0,0|1,0,0]=3 1746 B15R1.11 CCNC(=O)COCc1ccc(cc1)C 34a_100011215236_100000183381 [0,1,1,0,0,0|1,0,0]=3 1747 B15R1.11 CCNC(=O)COCc1ccc(cc1)C 7a_100011215236_100000183381 [0,1,1,0,0,0|1,0,0]=3 1748 B15R1.11 CCNC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000183381 [0,1,1,0,0,0|1,0,0]=3 1749 B15R1.11 CCNC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000183381 [0,1,1,0,0,0|1,0,0]=3 1750 B15R1.11 CCNC(=O)COCc1ccc(cc1)F 34a_100000210977_100000183381 [0,1,1,0,0,0|1,0,0]=3 1751 B15R1.11 CCNC(=O)COCc1ccc(cc1)F 7a_100000210977_100000183381 [0,1,1,0,0,0|1,0,0]=3 1752 B15R1.11 CCNC(=O)COCc1ccc(cc1)I 34a_100000690907_100000183381 [0,1,1,0,0,0|1,0,0]=3 1753 B15R1.11 CCNC(=O)COCc1ccc(cc1)I 7a_100000690907_100000183381 [0,1,1,0,0,0|1,0,0]=3 1754 B15R1.11 CCNC(=O)COCc1ccc(cc1)N 34a_100011215238_100000183381 [0,1,1,0,0,0|1,0,0]=3 1755 B15R1.11 CCNC(=O)COCc1ccc(cn1)Br 34a_100000754261_100000183381 [0,1,1,0,0,0|2,0,0]=4 1756 B15R1.11 CCNC(=O)COCc1ccc(cn1)C 34a_100012001401_100000183381 [0,1,1,0,0,0|2,0,0]=4 1757 B15R1.11 CCNC(=O)COCc1ccc(cn1)Cl 34a_100000703999_100000183381 [0,1,1,0,0,0|2,0,0]=4 1758 B15R1.11 CCNC(=O)COCc1ccc(cn1)F 34a_100011999454_100000183381 [0,1,1,0,0,0|2,0,0]=4 1759 B15R1.11 CCNC(=O)COCc1ccc(cn1)N 34a_100011998161_100000183381 [0,1,1,0,0,0|2,0,0]=4 1760 B15R1.11 CCNC(=O)COCc1ccc(nc1)Br 34a_100009816760_100000183381 [0,1,1,0,0,0|2,0,0]=4 1761 B15R1.11 CCNC(=O)COCc1ccc(nc1)Br 7a_100009816760_100000183381 [0,1,1,0,0,0|2,0,0]=4 1762 B15R1.11 CCNC(=O)COCc1ccc(nc1)C 34a_100011248133_100000183381 [0,1,1,0,0,0|2,0,0]=4 1763 B15R1.11 CCNC(=O)COCc1ccc(nc1)Cl 34a_100000755211_100000183381 [0,1,1,0,0,0|2,0,0]=4 1764 B15R1.11 CCNC(=O)COCc1ccc(nc1)Cl 7a_100000755211_100000183381 [0,1,1,0,0,0|2,0,0]=4 1765 B15R1.11 CCNC(=O)COCc1ccc(nc1)F 34a_100000079959_100000183381 [0,1,1,0,0,0|2,0,0]=4 1766 B15R1.11 CCNC(=O)COCc1ccc(nc1)N 34a_100000704267_100000183381 [0,1,1,0,0,0|2,0,0]=4 1767 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Br 11a_100015525214_100000150267 [0,1,1,0,0,0|1,1,0]=4 1768 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Br 240690a_100015525214_100000150267 [0,1,1,0,0,0|1,1,0]=4 1769 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Br 527a_100015525214_100000150267 [0,1,1,0,0,0|1,1,0]=4 1770 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Br 62a_100000183381_100000189115 [0,1,1,0,0,0|1,1,0]=4 1771 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000183381 [0,1,1,0,0,0|1,1,0]=4 1772 B15R1.11 CCNC(=O)CSCc1ccc(cc1)C 62a_100000183381_100000210814 [0,1,1,0,0,0|1,1,0]=4 1773 B15R1.11 CCNC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000183381 [0,1,1,0,0,0|1,1,0]=4 1774 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Cl 11a_100015525214_100000150262 [0,1,1,0,0,0|1,1,0]=4 1775 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Cl 240690a_100015525214_100000150262 [0,1,1,0,0,0|1,1,0]=4 1776 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Cl 527a_100015525214_100000150262 [0,1,1,0,0,0|1,1,0]=4 1777 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Cl 62a_100000183381_100000187161 [0,1,1,0,0,0|1,1,0]=4 1778 B15R1.11 CCNC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000183381 [0,1,1,0,0,0|1,1,0]=4 1779 B15R1.11 CCNC(=O)CSCc1ccc(cc1)F 11a_100015525214_100000150272 [0,1,1,0,0,0|1,1,0]=4 1780 B15R1.11 CCNC(=O)CSCc1ccc(cc1)F 240690a_100015525214_100000150272 [0,1,1,0,0,0|1,1,0]=4 1781 B15R1.11 CCNC(=O)CSCc1ccc(cc1)F 527a_100015525214_100000150272 [0,1,1,0,0,0|1,1,0]=4 1782 B15R1.11 CCNC(=O)CSCc1ccc(cc1)F 62a_100000183381_100000187164 [0,1,1,0,0,0|1,1,0]=4 1783 B15R1.11 CCNC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000183381 [0,1,1,0,0,0|1,1,0]=4 1784 B15R1.11 CCNC(=O)CSCc1ccc(cc1)I 62a_100000183381_100000189116 [0,1,1,0,0,0|1,1,0]=4 1785 B15R1.11 CCNC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000183381 [0,1,1,0,0,0|1,1,0]=4 1786 B15R1.11 CCOC(=O)CCCc1ccc(cc1)O 271570a_203496583355_100010203577 [0,1,1,0,0,0|1,0,0]=3 1787 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100011206558 [0,1,1,0,0,0|2,0,0]=4 1788 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000765890 [0,1,1,0,0,0|2,0,0]=4 1789 B15R1.11 CCOC(=O)CCNc1ccc(cc1)C 34a_100000124888_100000765890 [0,1,1,0,0,0|2,0,0]=4 1790 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100011206558 [0,1,1,0,0,0|2,0,0]=4 1791 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000765890 [0,1,1,0,0,0|2,0,0]=4 1792 B15R1.11 CCOC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000765890 [0,1,1,0,0,0|2,0,0]=4 1793 B15R1.11 CCOC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000765890 [0,1,1,0,0,0|2,0,0]=4 1794 B15R1.11 CCOC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000765890 [0,1,1,0,0,0|2,0,0]=4 1795 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000765890 [0,1,1,0,0,0|2,0,0]=4 1796 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100011206558 [0,1,1,0,0,0|2,0,0]=4 1797 B15R1.11 CCOC(=O)CCOc1ccc(cc1)C 34a_100000210336_100000765890 [0,1,1,0,0,0|2,0,0]=4 1798 B15R1.11 CCOC(=O)CCOc1ccc(cc1)C 7a_100000210336_100011206558 [0,1,1,0,0,0|2,0,0]=4 1799 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000765890 [0,1,1,0,0,0|2,0,0]=4 1800 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100011206558 [0,1,1,0,0,0|2,0,0]=4 1801 B15R1.11 CCOC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000765890 [0,1,1,0,0,0|2,0,0]=4 1802 B15R1.11 CCOC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000765890 [0,1,1,0,0,0|2,0,0]=4 1803 B15R1.11 CCOC(=O)CCOc1ccc(cc1)I 7a_100000212066_100011206558 [0,1,1,0,0,0|2,0,0]=4 1804 B15R1.11 CCOC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000765890 [0,1,1,0,0,0|2,0,0]=4 1805 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000765890 [0,1,1,0,0,0|2,0,0]=4 1806 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Br 62a_100000765890_100000752885 [0,1,1,0,0,0|2,0,0]=4 1807 B15R1.11 CCOC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000765890 [0,1,1,0,0,0|2,0,0]=4 1808 B15R1.11 CCOC(=O)CCSc1ccc(cc1)C 62a_100000765890_100000186775 [0,1,1,0,0,0|2,0,0]=4 1809 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000765890 [0,1,1,0,0,0|2,0,0]=4 1810 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Cl 62a_100000765890_100000755918 [0,1,1,0,0,0|2,0,0]=4 1811 B15R1.11 CCOC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000765890 [0,1,1,0,0,0|2,0,0]=4 1812 B15R1.11 CCOC(=O)CCSc1ccc(cc1)F 62a_100000765890_100000211213 [0,1,1,0,0,0|2,0,0]=4 1813 B15R1.11 CCOC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000765890 [0,1,1,0,0,0|2,0,0]=4 1814 B15R1.11 CCOC(=O)CCSc1ccc(cc1)N 62a_100000765890_100000185761 [0,1,1,0,0,0|2,0,0]=4 1815 B15R1.11 CCOC(=O)CCSc1ccc(cc1)O 62a_100000765890_100000185759 [0,1,1,0,0,0|2,0,0]=4 1816 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000188475 [0,1,1,0,0,0|1,0,0]=3 1817 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000188475 [0,1,1,0,0,0|1,0,0]=3 1818 B15R1.11 CCOC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000188475 [0,1,1,0,0,0|1,0,0]=3 1819 B15R1.11 CCOC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000188475 [0,1,1,0,0,0|1,0,0]=3 1820 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000188475 [0,1,1,0,0,0|1,0,0]=3 1821 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000188475 [0,1,1,0,0,0|1,0,0]=3 1822 B15R1.11 CCOC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000188475 [0,1,1,0,0,0|1,0,0]=3 1823 B15R1.11 CCOC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000188475 [0,1,1,0,0,0|1,0,0]=3 1824 B15R1.11 CCOC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000188475 [0,1,1,0,0,0|1,0,0]=3 1825 B15R1.11 CCOC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000188475 [0,1,1,0,0,0|1,0,0]=3 1826 B15R1.11 CCOC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000188475 [0,1,1,0,0,0|1,0,0]=3 1827 B15R1.11 CCOC(=O)CNCc1ccc(cn1)Br 34a_100015188789_100000188475 [0,1,1,0,0,0|2,0,0]=4 1828 B15R1.11 CCOC(=O)CNCc1ccc(cn1)C 34a_100015187455_100000188475 [0,1,1,0,0,0|2,0,0]=4 1829 B15R1.11 CCOC(=O)CNCc1ccc(cn1)Cl 34a_100000697193_100000188475 [0,1,1,0,0,0|2,0,0]=4 1830 B15R1.11 CCOC(=O)CNCc1ccc(cn1)F 34a_100020620131_100000188475 [0,1,1,0,0,0|2,0,0]=4 1831 B15R1.11 CCOC(=O)CNCc1ccc(nc1)Br 2230a_100009817727_100000188475 [0,1,1,0,0,0|2,0,0]=4 1832 B15R1.11 CCOC(=O)CNCc1ccc(nc1)Br 34a_100009817727_100000188475 [0,1,1,0,0,0|2,0,0]=4 1833 B15R1.11 CCOC(=O)CNCc1ccc(nc1)C 34a_100000740942_100000188475 [0,1,1,0,0,0|2,0,0]=4 1834 B15R1.11 CCOC(=O)CNCc1ccc(nc1)Cl 2230a_100000735879_100000188475 [0,1,1,0,0,0|2,0,0]=4 1835 B15R1.11 CCOC(=O)CNCc1ccc(nc1)Cl 34a_100000735879_100000188475 [0,1,1,0,0,0|2,0,0]=4 1836 B15R1.11 CCOC(=O)CNCc1ccc(nc1)F 2230a_100000101913_100000188475 [0,1,1,0,0,0|2,0,0]=4 1837 B15R1.11 CCOC(=O)CNCc1ccc(nc1)F 34a_100000101913_100000188475 [0,1,1,0,0,0|2,0,0]=4 1838 B15R1.11 CCOC(=O)CNCc1ccc(nc1)O 2230a_100000757128_100000188475 [0,1,1,0,0,0|2,0,0]=4 1839 B15R1.11 CCOC(=O)COCc1cc[n+](cc1)C 34a_100009831711_100000188475 [0,1,1,0,0,0|1,0,0]=3 1840 B15R1.11 CCOC(=O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000188475 [0,1,1,0,0,0|1,0,0]=3 1841 B15R1.11 CCOC(=O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000188475 [0,1,1,0,0,0|1,0,0]=3 1842 B15R1.11 CCOC(=O)COCc1ccc(=O)[nH]c1 34a_100011999846_100000188475 [0,1,1,0,0,0|1,0,0]=3 1843 B15R1.11 CCOC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000188475 [0,1,1,0,0,0|0,0,0]=2 1844 B15R1.11 CCOC(=O)COCc1ccc(cc1)C 34a_100011215236_100000188475 [0,1,1,0,0,0|0,0,0]=2 1845 B15R1.11 CCOC(=O)COCc1ccc(cc1)C 7a_100011215236_100000188475 [0,1,1,0,0,0|0,0,0]=2 1846 B15R1.11 CCOC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000188475 [0,1,1,0,0,0|0,0,0]=2 1847 B15R1.11 CCOC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000188475 [0,1,1,0,0,0|0,0,0]=2 1848 B15R1.11 CCOC(=O)COCc1ccc(cc1)F 34a_100000210977_100000188475 [0,1,1,0,0,0|0,0,0]=2 1849 B15R1.11 CCOC(=O)COCc1ccc(cc1)F 7a_100000210977_100000188475 [0,1,1,0,0,0|0,0,0]=2 1850 B15R1.11 CCOC(=O)COCc1ccc(cc1)I 34a_100000690907_100000188475 [0,1,1,0,0,0|0,0,0]=2 1851 B15R1.11 CCOC(=O)COCc1ccc(cc1)I 7a_100000690907_100000188475 [0,1,1,0,0,0|0,0,0]=2 1852 B15R1.11 CCOC(=O)COCc1ccc(cc1)N 34a_100011215238_100000188475 [0,1,1,0,0,0|0,0,0]=2 1853 B15R1.11 CCOC(=O)COCc1ccc(cn1)Br 34a_100000754261_100000188475 [0,1,1,0,0,0|1,0,0]=3 1854 B15R1.11 CCOC(=O)COCc1ccc(cn1)C 34a_100012001401_100000188475 [0,1,1,0,0,0|1,0,0]=3 1855 B15R1.11 CCOC(=O)COCc1ccc(cn1)Cl 34a_100000703999_100000188475 [0,1,1,0,0,0|1,0,0]=3 1856 B15R1.11 CCOC(=O)COCc1ccc(cn1)F 34a_100011999454_100000188475 [0,1,1,0,0,0|1,0,0]=3 1857 B15R1.11 CCOC(=O)COCc1ccc(cn1)N 34a_100011998161_100000188475 [0,1,1,0,0,0|1,0,0]=3 1858 B15R1.11 CCOC(=O)COCc1ccc(nc1)Br 34a_100009816760_100000188475 [0,1,1,0,0,0|1,0,0]=3 1859 B15R1.11 CCOC(=O)COCc1ccc(nc1)Br 7a_100009816760_100000188475 [0,1,1,0,0,0|1,0,0]=3 1860 B15R1.11 CCOC(=O)COCc1ccc(nc1)C 34a_100011248133_100000188475 [0,1,1,0,0,0|1,0,0]=3 1861 B15R1.11 CCOC(=O)COCc1ccc(nc1)Cl 34a_100000755211_100000188475 [0,1,1,0,0,0|1,0,0]=3 1862 B15R1.11 CCOC(=O)COCc1ccc(nc1)Cl 7a_100000755211_100000188475 [0,1,1,0,0,0|1,0,0]=3 1863 B15R1.11 CCOC(=O)COCc1ccc(nc1)F 34a_100000079959_100000188475 [0,1,1,0,0,0|1,0,0]=3 1864 B15R1.11 CCOC(=O)COCc1ccc(nc1)N 34a_100000704267_100000188475 [0,1,1,0,0,0|1,0,0]=3 1865 B15R1.11 CCOC(=O)COCc1cnc(cn1)C 34a_100011273949_100000188475 [0,1,1,0,0,0|2,0,0]=4 1866 B15R1.11 CCOC(=O)COCc1cnc(cn1)Cl 34a_100012002382_100000188475 [0,1,1,0,0,0|2,0,0]=4 1867 B15R1.11 CCOC(=O)COCc1cnc(nc1)C 34a_100011746891_100000188475 [0,1,1,0,0,0|2,0,0]=4 1868 B15R1.11 CCOC(=O)COCc1cnc(nc1)Cl 34a_100009855073_100000188475 [0,1,1,0,0,0|2,0,0]=4 1869 B15R1.11 CCOC(=O)COCc1cnc(nc1)Cl 7a_100009855073_100000188475 [0,1,1,0,0,0|2,0,0]=4 1870 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Br 62a_100000188475_100000189115 [0,1,1,0,0,0|0,1,0]=3 1871 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000188475 [0,1,1,0,0,0|0,1,0]=3 1872 B15R1.11 CCOC(=O)CSCc1ccc(cc1)C 62a_100000188475_100000210814 [0,1,1,0,0,0|0,1,0]=3 1873 B15R1.11 CCOC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000188475 [0,1,1,0,0,0|0,1,0]=3 1874 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000188475 [0,1,1,0,0,0|0,1,0]=3 1875 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Cl 62a_100000188475_100000187161 [0,1,1,0,0,0|0,1,0]=3 1876 B15R1.11 CCOC(=O)CSCc1ccc(cc1)F 62a_100000188475_100000187164 [0,1,1,0,0,0|0,1,0]=3 1877 B15R1.11 CCOC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000188475 [0,1,1,0,0,0|0,1,0]=3 1878 B15R1.11 CCOC(=O)CSCc1ccc(cc1)I 62a_100000188475_100000189116 [0,1,1,0,0,0|0,1,0]=3 1879 B15R1.11 CCOC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000188475 [0,1,1,0,0,0|0,1,0]=3 1880 B15R1.11 CCOC(=O)CSCc1ccc(cn1)Br 62a_100000188475_100000702658 [0,1,1,0,0,0|1,1,0]=4 1881 B15R1.11 CCOC(=O)CSCc1ccc(cn1)Br 62a_100000702658_100000188475 [0,1,1,0,0,0|1,1,0]=4 1882 B15R1.11 CCOC(=O)CSCc1ccc(cn1)C 62a_100000188475_100000691093 [0,1,1,0,0,0|1,1,0]=4 1883 B15R1.11 CCOC(=O)CSCc1ccc(cn1)C 62a_100000691093_100000188475 [0,1,1,0,0,0|1,1,0]=4 1884 B15R1.11 CCOC(=O)CSCc1ccc(cn1)Cl 62a_100000188475_100000697101 [0,1,1,0,0,0|1,1,0]=4 1885 B15R1.11 CCOC(=O)CSCc1ccc(cn1)Cl 62a_100012066911_100000188475 [0,1,1,0,0,0|1,1,0]=4 1886 B15R1.11 CCOC(=O)CSCc1ccc(cn1)F 62a_100000188475_100000703193 [0,1,1,0,0,0|1,1,0]=4 1887 B15R1.11 CCOC(=O)CSCc1ccc(cn1)F 62a_100000703193_100000188475 [0,1,1,0,0,0|1,1,0]=4 1888 B15R1.11 CCOC(=O)CSCc1ccc(nc1)Br 62a_100000188475_100009831999 [0,1,1,0,0,0|1,1,0]=4 1889 B15R1.11 CCOC(=O)CSCc1ccc(nc1)Br 62a_100009831999_100000188475 [0,1,1,0,0,0|1,1,0]=4 1890 B15R1.11 CCOC(=O)CSCc1ccc(nc1)C 62a_100000188475_100016987292 [0,1,1,0,0,0|1,1,0]=4 1891 B15R1.11 CCOC(=O)CSCc1ccc(nc1)C 62a_100016987292_100000188475 [0,1,1,0,0,0|1,1,0]=4 1892 B15R1.11 CCOC(=O)CSCc1ccc(nc1)Cl 62a_100000188475_100000735431 [0,1,1,0,0,0|1,1,0]=4 1893 B15R1.11 CCOC(=O)CSCc1ccc(nc1)Cl 62a_100000735431_100000188475 [0,1,1,0,0,0|1,1,0]=4 1894 B15R1.11 CCOC(=O)CSCc1ccc(nc1)F 62a_100000188475_100000099788 [0,1,1,0,0,0|1,1,0]=4 1895 B15R1.11 CCOC(=O)CSCc1ccc(nc1)F 62a_100009820150_100000188475 [0,1,1,0,0,0|1,1,0]=4 1896 B15R1.11 CNNC(=O)COCc1ccc(cc1)Br 22a_100016993582_200012349173 [0,1,1,0,0,0|2,0,0]=4 1897 B15R1.11 Cc1ccc(cc1)COCC(=O)NCO 34a_100011215236_100000185155 [0,1,1,0,0,0|2,0,0]=4 1898 B15R1.11 Cc1ccc(cc1)COCC(=O)NCO 7a_100011215236_100000185155 [0,1,1,0,0,0|2,0,0]=4 1899 B15R1.11 Nc1ccc(cc1)COCC(=O)NCO 34a_100011215238_100000185155 [0,1,1,0,0,0|2,0,0]=4 1900 B15R1.11 O=C(CCF)COCc1ccc(cc1)Br 1458a_200012349173_100011217306 [0,1,1,0,0,0|2,0,0]=4 1901 B15R1.11 O=C(CCO)COCc1ccc(cc1)Br 1458a_200012349173_100000211926 [0,1,1,0,0,0|2,0,0]=4 1902 B15R1.11 O=C(COCc1ccc(cc1)Br)NCO 34a_100000695286_100000185155 [0,1,1,0,0,0|2,0,0]=4 1903 B15R1.11 O=C(COCc1ccc(cc1)Cl)NCO 34a_100000211118_100000185155 [0,1,1,0,0,0|2,0,0]=4 1904 B15R1.11 O=C(COCc1ccc(cc1)Cl)NCO 7a_100000211118_100000185155 [0,1,1,0,0,0|2,0,0]=4 1905 B15R1.11 O=C(COCc1ccc(cc1)F)NCO 34a_100000210977_100000185155 [0,1,1,0,0,0|2,0,0]=4 1906 B15R1.11 O=C(COCc1ccc(cc1)F)NCO 7a_100000210977_100000185155 [0,1,1,0,0,0|2,0,0]=4 1907 B15R1.11 O=C(COCc1ccc(cc1)I)NCO 34a_100000690907_100000185155 [0,1,1,0,0,0|2,0,0]=4 1908 B15R1.11 O=C(COCc1ccc(cc1)I)NCO 7a_100000690907_100000185155 [0,1,1,0,0,0|2,0,0]=4 1909 B15R1.89 C=COC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000036128 [0,1,1,0,0,0|0,0,2]=4 1910 B15R1.89 CCCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211992_100000729684 [0,1,1,0,0,0|2,0,0]=4 1911 B15R1.89 CCCC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000747444 [0,1,1,0,0,0|2,0,0]=4 1912 B15R1.89 CCCC(=O)COC(=O)c1ccccc1 1458a_100000211992_100000073877 [0,1,1,0,0,0|1,0,1]=4 1913 B15R1.89 CCCC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747444 [0,1,1,0,0,0|1,0,0]=3 1914 B15R1.89 CCCC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747444 [0,1,1,0,0,0|1,1,0]=4 1915 B15R1.89 CCCC(=O)CSC(C)c1ccccc1 62a_100000747444_100000230085 [0,1,1,0,0,0|1,1,0]=4 1916 B15R1.89 CCNC(=O)CNC(C)c1ccccc1 2230a_100016988866_100000230085 [0,1,1,0,0,0|2,0,0]=4 1917 B15R1.89 CCNC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000183381 [0,1,1,0,0,0|2,0,0]=4 1918 B15R1.89 CCNC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000183381 [0,1,1,0,0,0|1,0,0]=3 1919 B15R1.89 CCNC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000183381 [0,1,1,0,0,0|1,0,0]=3 1920 B15R1.89 CCNC(=O)CSC(C)c1ccccc1 62a_100000183381_100000230085 [0,1,1,0,0,0|1,1,0]=4 1921 B15R1.89 CCNC(=O)CSC(C)c1ccccc1 62a_100000230085_100000183381 [0,1,1,0,0,0|1,1,0]=4 1922 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 2230a_100000210012_100011206558 [0,1,1,0,0,0|2,0,0]=4 1923 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 269982a_100000210012_100011206558 [0,1,1,0,0,0|2,0,0]=4 1924 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 269982a_200011277725_200000210301 [0,1,1,0,0,0|2,0,0]=4 1925 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 34a_100000210012_100000765890 [0,1,1,0,0,0|2,0,0]=4 1926 B15R1.89 CCOC(=O)CCN([13CH3])c1ccccc1 269982a_200011277725_200025704644 [0,1,1,0,0,0|2,0,0]=4 1927 B15R1.89 CCOC(=O)CNC(=O)c1ccccc1 188690a_100000741813_100000185807 [0,1,1,0,0,0|1,0,1]=4 1928 B15R1.89 CCOC(=O)CNC(C)c1ccccn1 2230a_100000181244_100000188475 [0,1,1,0,0,0|2,0,0]=4 1929 B15R1.89 CCOC(=O)CNC(C)c1cccnc1 2230a_100000195435_100000188475 [0,1,1,0,0,0|2,0,0]=4 1930 B15R1.89 CCOC(=O)CNC(C)c1ccncc1 2230a_100000181269_100000188475 [0,1,1,0,0,0|2,0,0]=4 1931 B15R1.89 CCOC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000188475 [0,1,1,0,0,0|1,0,0]=3 1932 B15R1.89 CCOC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000188475 [0,1,1,0,0,0|0,0,0]=2 1933 B15R1.89 CCOC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000188475 [0,1,1,0,0,0|0,0,0]=2 1934 B15R1.89 CCOC(=O)CSC(C)c1ccccc1 62a_100000188475_100000230085 [0,1,1,0,0,0|0,1,0]=3 1935 B15R1.89 CCOC(=O)CSC(C)c1ccccc1 62a_100000230085_100000188475 [0,1,1,0,0,0|0,1,0]=3 1936 B15R1.89 C[C@@H](OCC(=O)NCO)c1ccccc1 34a_100000761318_100000185155 [0,1,1,0,0,0|2,0,0]=4 1937 B15R1.89 C[C@@H](OCC(=O)NCO)c1ccccc1 7a_100000761318_100000185155 [0,1,1,0,0,0|2,0,0]=4 1938 B15R1.157 C#CCCC(=O)COCc1ccccc1 1458a_100000230186_100000753159 [0,1,1,0,0,0|1,0,1]=4 1939 B15R1.157 C#CCNC(=O)COCc1ccccc1 11a_100000212058_100000230186 [0,1,1,0,0,0|1,0,1]=4 1940 B15R1.157 C#CCNC(=O)COCc1ccccc1 1626a_100000212058_100000230186 [0,1,1,0,0,0|1,0,1]=4 1941 B15R1.157 C#CCNC(=O)COCc1ccccc1 240690a_100000212058_100000230186 [0,1,1,0,0,0|1,0,1]=4 1942 B15R1.157 C#CCNC(=O)COCc1ccccc1 527a_100000212058_100000230186 [0,1,1,0,0,0|1,0,1]=4 1943 B15R1.157 C/C=C/CC(=O)COCc1ccccc1 1458a_100000230186_100102629194 [0,1,1,0,0,0|1,0,1]=4 1944 B15R1.157 C=C(CNCc1ccccc1)OCOC 34a_100015324214_100000042856 [0,1,1,0,0,0|2,0,0]=4 1945 B15R1.157 C=C(COCc1ccccc1)OCOC 34a_100000210790_100000042856 [0,1,1,0,0,0|1,0,0]=3 1946 B15R1.157 C=C(CSCc1ccccc1)OCOC 62a_100000042856_100015291786 [0,1,1,0,0,0|1,1,0]=4 1947 B15R1.157 C=C(CSCc1ccccc1)OCOC 62a_100000211182_100000042856 [0,1,1,0,0,0|1,1,0]=4 1948 B15R1.157 C=CCCC(=O)COCc1ccccc1 1458a_100000230186_100000754431 [0,1,1,0,0,0|1,0,1]=4 1949 B15R1.157 C=CCNC(=O)COCc1ccccc1 1626a_100020586998_100000230186 [0,1,1,0,0,0|1,0,1]=4 1950 B15R1.157 C=CCNC(=O)COCc1ccccc1 240690a_100020586998_100000230186 [0,1,1,0,0,0|1,0,1]=4 1951 B15R1.157 C=CCNC(=O)COCc1ccccc1 527a_100020586998_100000230186 [0,1,1,0,0,0|1,0,1]=4 1952 B15R1.157 C=CCNC(=O)COCc1ccccc1 7a_100000210790_100000183597 [0,1,1,0,0,0|1,0,1]=4 1953 B15R1.157 C=CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000033060 [0,1,1,0,0,0|1,0,1]=4 1954 B15R1.157 C=CCOC(=O)CNCc1ccccc1 34a_100015324214_100000033060 [0,1,1,0,0,0|1,0,1]=4 1955 B15R1.157 C=CCOC(=O)COCc1ccccc1 34a_100000210790_100000033060 [0,1,1,0,0,0|0,0,1]=3 1956 B15R1.157 C=CCOC(=O)COCc1ccccc1 7a_100000210790_100000033060 [0,1,1,0,0,0|0,0,1]=3 1957 B15R1.157 C=CCOC(=O)CSCc1ccccc1 62a_100000033060_100015291786 [0,1,1,0,0,0|0,1,1]=4 1958 B15R1.157 C=CCOC(=O)CSCc1ccccc1 62a_100000211182_100000033060 [0,1,1,0,0,0|0,1,1]=4 1959 B15R1.157 CC#CCC(=O)COCc1ccccc1 1458a_100000230186_100000748600 [0,1,1,0,0,0|1,0,1]=4 1960 B15R1.157 CC(COCc1ccccc1)OCCF 34a_100000764311_100011217306 [0,1,1,0,0,0|1,0,1]=4 1961 B15R1.157 CC(COCc1ccccc1)OCCF 7a_100000764311_100011217306 [0,1,1,0,0,0|1,0,1]=4 1962 B15R1.157 CC(COCc1ccccc1)OCCO 34a_100000764311_100000211926 [0,1,1,0,0,0|1,0,1]=4 1963 B15R1.157 CC(COCc1ccccc1)OCCO 7a_100000764311_100000211926 [0,1,1,0,0,0|1,0,1]=4 1964 B15R1.157 CC=CCC(=O)COCc1ccccc1 1458a_100000230186_100000070051 [0,1,1,0,0,0|1,0,1]=4 1965 B15R1.157 CCC#CC(=O)CCCc1ccccc1 1458a_100011827653_100000211621 [0,1,1,0,0,0|2,0,0]=4 1966 B15R1.157 CCC#CC(=O)CSCc1ccccc1 1458a_100011827653_200011217039 [0,1,1,0,0,0|1,1,0]=4 1967 B15R1.157 CCC=CC(=O)CCCc1ccccc1 1458a_100000212282_100000211621 [0,1,1,0,0,0|2,0,0]=4 1968 B15R1.157 CCC=CC(=O)CSCc1ccccc1 1458a_100000212282_200011217039 [0,1,1,0,0,0|1,1,0]=4 1969 B15R1.157 CCCCC(=O)CCCc1ccccc1 1458a_100000210183_100000211621 [0,1,1,0,0,0|2,0,0]=4 1970 B15R1.157 CCCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210211 [0,1,1,0,0,0|2,0,0]=4 1971 B15R1.157 CCCCC(=O)COCc1ccccc1 1458a_100000230186_100000210211 [0,1,1,0,0,0|1,0,0]=3 1972 B15R1.157 CCCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210211 [0,1,1,0,0,0|1,1,0]=4 1973 B15R1.157 CCCCC(=O)CSCc1ccccc1 1458a_100000210183_200011217039 [0,1,1,0,0,0|1,1,0]=4 1974 B15R1.157 CCCNC(=O)CCCc1ccccc1 11a_100020643023_100011207963 [0,1,1,0,0,0|2,0,0]=4 1975 B15R1.157 CCCNC(=O)CCCc1ccccc1 1626a_100020643023_100011207963 [0,1,1,0,0,0|2,0,0]=4 1976 B15R1.157 CCCNC(=O)CCCc1ccccc1 240690a_100020643023_100011207963 [0,1,1,0,0,0|2,0,0]=4 1977 B15R1.157 CCCNC(=O)CCCc1ccccc1 527a_100020643023_100011207963 [0,1,1,0,0,0|2,0,0]=4 1978 B15R1.157 CCCNC(=O)CNCc1ccccc1 2230a_100000174927_100015291786 [0,1,1,0,0,0|2,0,0]=4 1979 B15R1.157 CCCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183358 [0,1,1,0,0,0|2,0,0]=4 1980 B15R1.157 CCCNC(=O)CNCc1ccccc1 270004a_100000174927_100015611070 [0,1,1,0,0,0|2,0,0]=4 1981 B15R1.157 CCCNC(=O)CNCc1ccccc1 34a_100015324214_100000183358 [0,1,1,0,0,0|2,0,0]=4 1982 B15R1.157 CCCNC(=O)COCc1ccccc1 11a_100020643023_100000230186 [0,1,1,0,0,0|1,0,0]=3 1983 B15R1.157 CCCNC(=O)COCc1ccccc1 1626a_100020643023_100000230186 [0,1,1,0,0,0|1,0,0]=3 1984 B15R1.157 CCCNC(=O)COCc1ccccc1 240690a_100020643023_100000230186 [0,1,1,0,0,0|1,0,0]=3 1985 B15R1.157 CCCNC(=O)COCc1ccccc1 34a_100000210790_100000183358 [0,1,1,0,0,0|1,0,0]=3 1986 B15R1.157 CCCNC(=O)COCc1ccccc1 527a_100020643023_100000230186 [0,1,1,0,0,0|1,0,0]=3 1987 B15R1.157 CCCNC(=O)COCc1ccccc1 7a_100000210790_100000183358 [0,1,1,0,0,0|1,0,0]=3 1988 B15R1.157 CCCNC(=O)CSCc1ccccc1 11a_100020643023_100000150264 [0,1,1,0,0,0|1,1,0]=4 1989 B15R1.157 CCCNC(=O)CSCc1ccccc1 1626a_100020643023_100000150264 [0,1,1,0,0,0|1,1,0]=4 1990 B15R1.157 CCCNC(=O)CSCc1ccccc1 240690a_100020643023_100000150264 [0,1,1,0,0,0|1,1,0]=4 1991 B15R1.157 CCCNC(=O)CSCc1ccccc1 527a_100020643023_100000150264 [0,1,1,0,0,0|1,1,0]=4 1992 B15R1.157 CCCNC(=O)CSCc1ccccc1 62a_100000183358_100015291786 [0,1,1,0,0,0|1,1,0]=4 1993 B15R1.157 CCCNC(=O)CSCc1ccccc1 62a_100000211182_100000183358 [0,1,1,0,0,0|1,1,0]=4 1994 B15R1.157 CCCOC(=O)CNCc1ccccc1 2230a_100015324214_200011215008 [0,1,1,0,0,0|1,0,0]=3 1995 B15R1.157 CCCOC(=O)CNCc1ccccc1 34a_100015324214_200011215008 [0,1,1,0,0,0|1,0,0]=3 1996 B15R1.157 CCCOC(=O)COCc1ccccc1 34a_100000210790_200011215008 [0,1,1,0,0,0|0,0,0]=2 1997 B15R1.157 CCCOC(=O)COCc1ccccc1 7a_100000210790_200011215008 [0,1,1,0,0,0|0,0,0]=2 1998 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_100000211182_200011215008 [0,1,1,0,0,0|0,1,0]=3 1999 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_200011215008_100015291786 [0,1,1,0,0,0|0,1,0]=3 2000 B15R1.157 CCCOC(=O)CSCc1ccccn1 62a_100000721315_200011215008 [0,1,1,0,0,0|1,1,0]=4 2001 B15R1.157 CCCOC(=O)CSCc1ccccn1 62a_200011215008_100000721315 [0,1,1,0,0,0|1,1,0]=4 2002 B15R1.157 CCCOC(=O)CSCc1cccnc1 62a_100000741622_200011215008 [0,1,1,0,0,0|1,1,0]=4 2003 B15R1.157 CCCOC(=O)CSCc1cccnc1 62a_200011215008_100000741622 [0,1,1,0,0,0|1,1,0]=4 2004 B15R1.157 CCCOC(=O)CSCc1ccncc1 62a_100015193705_200011215008 [0,1,1,0,0,0|1,1,0]=4 2005 B15R1.157 CCCOC(=O)CSCc1ccncc1 62a_200011215008_100015193705 [0,1,1,0,0,0|1,1,0]=4 2006 B15R1.157 CCCOC(C)COCc1ccccc1 34a_100000764311_100000210303 [0,1,1,0,0,0|1,0,1]=4 2007 B15R1.157 CCCOC(C)COCc1ccccc1 7a_100000764311_100000210303 [0,1,1,0,0,0|1,0,1]=4 2008 B15R1.157 CCNCC(=O)NOCc1ccccc1 2230a_100015525214_100000230105 [0,1,1,0,0,0|2,0,0]=4 2009 B15R1.157 CCNN=C(C)COCc1ccccc1 4a_100000756455_100011215004 [0,1,1,0,0,0|2,0,0]=4 2010 B15R1.157 CCNNC(=O)CCCc1ccccc1 22a_100000756455_100011207963 [0,1,1,0,0,0|2,0,0]=4 2011 B15R1.157 CCNNC(=O)COCc1ccccc1 22a_100000756455_100000230186 [0,1,1,0,0,0|1,0,0]=3 2012 B15R1.157 CCNNC(=O)CSCc1ccccc1 22a_100000756455_100000150264 [0,1,1,0,0,0|1,1,0]=4 2013 B15R1.157 CCOCC(=O)C/C=C/c1ccccc1 1458a_100000211967_100016265936 [0,1,1,0,0,0|1,0,1]=4 2014 B15R1.157 CCOCC(=O)CC#Cc1ccccc1 1458a_100000211967_100011352542 [0,1,1,0,0,0|1,0,1]=4 2015 B15R1.157 CCOCC(=O)CCCc1ccccc1 1458a_100000211967_100000211621 [0,1,1,0,0,0|1,0,0]=3 2016 B15R1.157 CCOCC(=O)CCOc1ccccc1 1458a_100000211967_100000184471 [0,1,1,0,0,0|2,0,0]=4 2017 B15R1.157 CCOCC(=O)CCSc1ccccc1 1458a_100000211967_100000246102 [0,1,1,0,0,0|2,0,0]=4 2018 B15R1.157 CCOCC(=O)CSCc1ccccc1 1458a_100000211967_200011217039 [0,1,1,0,0,0|0,1,0]=3 2019 B15R1.157 CCOCC(=O)NCCc1ccccc1 11a_100000106460_100000211967 [0,1,1,0,0,0|2,0,0]=4 2020 B15R1.157 CCOCC(=O)NCCc1ccccc1 1626a_100000106460_100000211967 [0,1,1,0,0,0|2,0,0]=4 2021 B15R1.157 CCOCC(=O)NCCc1ccccc1 240690a_100000106460_100000211967 [0,1,1,0,0,0|2,0,0]=4 2022 B15R1.157 CCOCC(=O)NCCc1ccccc1 34a_100121572206_100000183012 [0,1,1,0,0,0|2,0,0]=4 2023 B15R1.157 CCOCC(=O)NCCc1ccccc1 527a_100000106460_100000211967 [0,1,1,0,0,0|2,0,0]=4 2024 B15R1.157 CCOCC(=O)NNCc1ccccc1 22a_100000007032_100000211967 [0,1,1,0,0,0|2,0,0]=4 2025 B15R1.157 CCOCC(=O)NOCc1ccccc1 34a_100121572206_100000230105 [0,1,1,0,0,0|1,0,0]=3 2026 B15R1.157 CCOCC(=O)OCCc1ccccc1 34a_100121572206_200000077782 [0,1,1,0,0,0|2,0,0]=4 2027 B15R1.157 CCOCC(C)COCc1ccccc1 34a_100121572206_100011216253 [0,1,1,0,0,0|1,0,1]=4 2028 B15R1.157 CCOCC(C)COCc1ccccc1 34a_200011216033_100000210202 [0,1,1,0,0,0|1,0,1]=4 2029 B15R1.157 CCOCC(C)COCc1ccccc1 7a_200011216033_100000210202 [0,1,1,0,0,0|1,0,1]=4 2030 B15R1.157 CCOC[C@@H](N)COCc1ccccc1 34a_100016995297_100000210202 [0,1,1,0,0,0|1,0,1]=4 2031 B15R1.157 CCSCC(=O)CCCc1ccccc1 1458a_100000230394_100000211621 [0,1,1,0,0,0|1,1,0]=4 2032 B15R1.157 CCSCC(=O)CSCc1ccccc1 1458a_100000230394_200011217039 [0,1,1,0,0,0|0,2,0]=4 2033 B15R1.157 CCSCC(=O)NOCc1ccccc1 62a_100000210202_100000230105 [0,1,1,0,0,0|1,1,0]=4 2034 B15R1.157 CCSCC(=O)NOCc1ccccc1 62a_100000230105_100000210202 [0,1,1,0,0,0|1,1,0]=4 2035 B15R1.157 COCCC(=O)CCCc1ccccc1 1458a_100000749529_100000211621 [0,1,1,0,0,0|2,0,0]=4 2036 B15R1.157 COCCC(=O)CCCc1ccccc1 1458a_100011207963_100000233755 [0,1,1,0,0,0|2,0,0]=4 2037 B15R1.157 COCCC(=O)COCc1ccccc1 1458a_100000230186_100000233755 [0,1,1,0,0,0|1,0,0]=3 2038 B15R1.157 COCCC(=O)CSCc1ccccc1 1458a_100000150264_100000233755 [0,1,1,0,0,0|1,1,0]=4 2039 B15R1.157 COCCC(=O)CSCc1ccccc1 1458a_100000749529_200011217039 [0,1,1,0,0,0|1,1,0]=4 2040 B15R1.157 COCO[C@H](C)COCc1ccccc1 34a_100016172286_100015291786 [0,1,1,0,0,0|1,0,1]=4 2041 B15R1.157 COCO[C@H](C)COCc1ccccc1 7a_100016172286_100000211182 [0,1,1,0,0,0|1,0,1]=4 2042 B15R1.157 CSCCC(=O)CCCc1ccccc1 1458a_100000174002_100000211621 [0,1,1,0,0,0|2,0,0]=4 2043 B15R1.157 CSCCC(=O)CCCc1ccccc1 1458a_100011207963_100000751147 [0,1,1,0,0,0|2,0,0]=4 2044 B15R1.157 CSCCC(=O)COCc1ccccc1 1458a_100000230186_100000751147 [0,1,1,0,0,0|1,0,0]=3 2045 B15R1.157 CSCCC(=O)CSCc1ccccc1 1458a_100000150264_100000751147 [0,1,1,0,0,0|1,1,0]=4 2046 B15R1.157 CSCCC(=O)CSCc1ccccc1 1458a_100000174002_200011217039 [0,1,1,0,0,0|1,1,0]=4 2047 B15R1.157 CSCOC(C)COCc1ccccc1 34a_100000764311_100011218213 [0,1,1,0,0,0|1,0,1]=4 2048 B15R1.157 N#CCCC(=O)COCc1ccccc1 1458a_100000230186_100011215226 [0,1,1,0,0,0|1,0,1]=4 2049 B15R1.157 N#CCNC(=O)COCc1ccccc1 1626a_100000734998_100000230186 [0,1,1,0,0,0|1,0,1]=4 2050 B15R1.157 N#CCNC(=O)COCc1ccccc1 527a_100000734998_100000230186 [0,1,1,0,0,0|1,0,1]=4 2051 B15R1.157 N#CCNC(=O)COCc1ccccc1 7a_100000210790_100000736037 [0,1,1,0,0,0|1,0,1]=4 2052 B15R1.157 O=C(CCCF)CCCc1ccccc1 1458a_100011207963_100011934791 [0,1,1,0,0,0|2,0,0]=4 2053 B15R1.157 O=C(CCCF)COCc1ccccc1 1458a_100000230186_100011934791 [0,1,1,0,0,0|1,0,0]=3 2054 B15R1.157 O=C(CCCF)CSCc1ccccc1 1458a_100000150264_100011934791 [0,1,1,0,0,0|1,1,0]=4 2055 B15R1.157 O=C(CCCO)CCCc1ccccc1 1458a_100011207963_100011215043 [0,1,1,0,0,0|2,0,0]=4 2056 B15R1.157 O=C(CCCO)COCc1ccccc1 1458a_100000230186_100011215043 [0,1,1,0,0,0|1,0,0]=3 2057 B15R1.157 O=C(CCCO)CSCc1ccccc1 1458a_100000150264_100011215043 [0,1,1,0,0,0|1,1,0]=4 2058 B15R1.157 O=C(CCCc1ccccc1)NCCF 11a_100000724931_100011207963 [0,1,1,0,0,0|2,0,0]=4 2059 B15R1.157 O=C(CCCc1ccccc1)NCCF 1626a_100000724931_100011207963 [0,1,1,0,0,0|2,0,0]=4 2060 B15R1.157 O=C(CCCc1ccccc1)NCCF 240690a_100000724931_100011207963 [0,1,1,0,0,0|2,0,0]=4 2061 B15R1.157 O=C(CCCc1ccccc1)NCCF 527a_100000724931_100011207963 [0,1,1,0,0,0|2,0,0]=4 2062 B15R1.157 O=C(CCCc1ccccc1)NCCO 240690a_100000210304_100011207963 [0,1,1,0,0,0|2,0,0]=4 2063 B15R1.157 O=C(CCCc1ccccc1)NCCO 527a_100000210304_100011207963 [0,1,1,0,0,0|2,0,0]=4 2064 B15R1.157 O=C(CNCc1ccccc1)NCCF 2230a_100000725713_100015291786 [0,1,1,0,0,0|2,0,0]=4 2065 B15R1.157 O=C(CNCc1ccccc1)NCCF 270004a_100000725713_100015611070 [0,1,1,0,0,0|2,0,0]=4 2066 B15R1.157 O=C(COCc1ccccc1)NCCF 11a_100000724931_100000230186 [0,1,1,0,0,0|1,0,0]=3 2067 B15R1.157 O=C(COCc1ccccc1)NCCF 1626a_100000724931_100000230186 [0,1,1,0,0,0|1,0,0]=3 2068 B15R1.157 O=C(COCc1ccccc1)NCCF 240690a_100000724931_100000230186 [0,1,1,0,0,0|1,0,0]=3 2069 B15R1.157 O=C(COCc1ccccc1)NCCF 527a_100000724931_100000230186 [0,1,1,0,0,0|1,0,0]=3 2070 B15R1.157 O=C(COCc1ccccc1)NCCO 240690a_100000210304_100000230186 [0,1,1,0,0,0|1,0,0]=3 2071 B15R1.157 O=C(COCc1ccccc1)NCCO 527a_100000210304_100000230186 [0,1,1,0,0,0|1,0,0]=3 2072 B15R1.157 O=C(CSCc1ccccc1)NCCF 11a_100000724931_100000150264 [0,1,1,0,0,0|1,1,0]=4 2073 B15R1.157 O=C(CSCc1ccccc1)NCCF 1626a_100000724931_100000150264 [0,1,1,0,0,0|1,1,0]=4 2074 B15R1.157 O=C(CSCc1ccccc1)NCCF 240690a_100000724931_100000150264 [0,1,1,0,0,0|1,1,0]=4 2075 B15R1.157 O=C(CSCc1ccccc1)NCCF 527a_100000724931_100000150264 [0,1,1,0,0,0|1,1,0]=4 2076 B15R1.157 O=C(CSCc1ccccc1)NCCO 240690a_100000210304_100000150264 [0,1,1,0,0,0|1,1,0]=4 2077 B15R1.157 O=C(CSCc1ccccc1)NCCO 527a_100000210304_100000150264 [0,1,1,0,0,0|1,1,0]=4 2078 B15R1.633 C=COC(=O)COCc1cccc(c1)Br 34a_100000687537_100000036128 [0,1,1,0,0,0|0,0,2]=4 2079 B15R1.633 C=COC(=O)COCc1cccc(c1)C 34a_100011217746_100000036128 [0,1,1,0,0,0|0,0,2]=4 2080 B15R1.633 C=COC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000036128 [0,1,1,0,0,0|0,0,2]=4 2081 B15R1.633 C=COC(=O)COCc1cccc(c1)F 34a_100000210976_100000036128 [0,1,1,0,0,0|0,0,2]=4 2082 B15R1.633 C=COC(=O)COCc1cccc(c1)I 34a_100011215336_100000036128 [0,1,1,0,0,0|0,0,2]=4 2083 B15R1.633 C=COC(=O)COCc1cccc(c1)N 34a_100000211919_100000036128 [0,1,1,0,0,0|0,0,2]=4 2084 B15R1.633 CCCC(=O)CCCc1cccc(c1)Br 1458a_100000211992_100011713683 [0,1,1,0,0,0|2,0,0]=4 2085 B15R1.633 CCCC(=O)CCCc1cccc(c1)Br 1458a_100000685939_100000210303 [0,1,1,0,0,0|2,0,0]=4 2086 B15R1.633 CCCC(=O)CCCc1cccc(c1)F 1458a_100000211992_200000698031 [0,1,1,0,0,0|2,0,0]=4 2087 B15R1.633 CCCC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747444 [0,1,1,0,0,0|2,0,0]=4 2088 B15R1.633 CCCC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000747444 [0,1,1,0,0,0|2,0,0]=4 2089 B15R1.633 CCCC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747444 [0,1,1,0,0,0|2,0,0]=4 2090 B15R1.633 CCCC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747444 [0,1,1,0,0,0|2,0,0]=4 2091 B15R1.633 CCCC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747444 [0,1,1,0,0,0|2,0,0]=4 2092 B15R1.633 CCCC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747444 [0,1,1,0,0,0|2,0,0]=4 2093 B15R1.633 CCCC(=O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000747444 [0,1,1,0,0,0|2,0,0]=4 2094 B15R1.633 CCCC(=O)COCc1cccc(c1)Br 7a_100000687537_100000747444 [0,1,1,0,0,0|1,0,0]=3 2095 B15R1.633 CCCC(=O)COCc1cccc(c1)C 7a_100011217746_100000747444 [0,1,1,0,0,0|1,0,0]=3 2096 B15R1.633 CCCC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000747444 [0,1,1,0,0,0|1,0,0]=3 2097 B15R1.633 CCCC(=O)COCc1cccc(c1)F 7a_100000210976_100000747444 [0,1,1,0,0,0|1,0,0]=3 2098 B15R1.633 CCCC(=O)COCc1cccc(c1)I 7a_100011215336_100000747444 [0,1,1,0,0,0|1,0,0]=3 2099 B15R1.633 CCCC(=O)COCc1ccnc(c1)Br 7a_100009814636_100000747444 [0,1,1,0,0,0|2,0,0]=4 2100 B15R1.633 CCCC(=O)COCc1cncc(c1)Br 7a_100011259137_100000747444 [0,1,1,0,0,0|2,0,0]=4 2101 B15R1.633 CCCC(=O)COCc1cncc(c1)C 7a_100011998709_100000747444 [0,1,1,0,0,0|2,0,0]=4 2102 B15R1.633 CCCC(=O)COCc1cncc(c1)Cl 7a_100000092867_100000747444 [0,1,1,0,0,0|2,0,0]=4 2103 B15R1.633 CCCC(=O)COCc1cncc(c1)F 7a_100011962875_100000747444 [0,1,1,0,0,0|2,0,0]=4 2104 B15R1.633 CCCC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747444 [0,1,1,0,0,0|1,1,0]=4 2105 B15R1.633 CCCC(=O)CSCc1cccc(c1)Br 62a_100000747444_100000211773 [0,1,1,0,0,0|1,1,0]=4 2106 B15R1.633 CCCC(=O)CSCc1cccc(c1)C 62a_100000211840_100000747444 [0,1,1,0,0,0|1,1,0]=4 2107 B15R1.633 CCCC(=O)CSCc1cccc(c1)C 62a_100000747444_100000211840 [0,1,1,0,0,0|1,1,0]=4 2108 B15R1.633 CCCC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_100000210303 [0,1,1,0,0,0|1,1,0]=4 2109 B15R1.633 CCCC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747444 [0,1,1,0,0,0|1,1,0]=4 2110 B15R1.633 CCCC(=O)CSCc1cccc(c1)Cl 62a_100000747444_100000187163 [0,1,1,0,0,0|1,1,0]=4 2111 B15R1.633 CCCC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747444 [0,1,1,0,0,0|1,1,0]=4 2112 B15R1.633 CCCC(=O)CSCc1cccc(c1)F 62a_100000747444_100000230114 [0,1,1,0,0,0|1,1,0]=4 2113 B15R1.633 CCCC(=O)CSCc1cccc(c1)I 62a_100000747444_100011218688 [0,1,1,0,0,0|1,1,0]=4 2114 B15R1.633 CCCC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747444 [0,1,1,0,0,0|1,1,0]=4 2115 B15R1.633 CCCC(=O)CSCc1cccc(c1)O 62a_100000747444_100011660834 [0,1,1,0,0,0|1,1,0]=4 2116 B15R1.633 CCCC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747444 [0,1,1,0,0,0|1,1,0]=4 2117 B15R1.633 CCNC(=O)CCCc1cccc(c1)Br 11a_100015525214_100000685939 [0,1,1,0,0,0|2,0,0]=4 2118 B15R1.633 CCNC(=O)CCCc1cccc(c1)Br 240690a_100015525214_100000685939 [0,1,1,0,0,0|2,0,0]=4 2119 B15R1.633 CCNC(=O)CCCc1cccc(c1)Br 527a_100015525214_100000685939 [0,1,1,0,0,0|2,0,0]=4 2120 B15R1.633 CCNC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000183381 [0,1,1,0,0,0|2,0,0]=4 2121 B15R1.633 CCNC(=O)CNCc1cccc(c1)Br 2230a_100016988866_100000698116 [0,1,1,0,0,0|2,0,0]=4 2122 B15R1.633 CCNC(=O)CNCc1cccc(c1)Br 270004a_100016988866_100000210085 [0,1,1,0,0,0|2,0,0]=4 2123 B15R1.633 CCNC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000183381 [0,1,1,0,0,0|2,0,0]=4 2124 B15R1.633 CCNC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000183381 [0,1,1,0,0,0|2,0,0]=4 2125 B15R1.633 CCNC(=O)CNCc1cccc(c1)C 2230a_100016988866_100000211840 [0,1,1,0,0,0|2,0,0]=4 2126 B15R1.633 CCNC(=O)CNCc1cccc(c1)C 270004a_100016988866_100000211157 [0,1,1,0,0,0|2,0,0]=4 2127 B15R1.633 CCNC(=O)CNCc1cccc(c1)C 34a_100000185548_100000183381 [0,1,1,0,0,0|2,0,0]=4 2128 B15R1.633 CCNC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000183381 [0,1,1,0,0,0|2,0,0]=4 2129 B15R1.633 CCNC(=O)CNCc1cccc(c1)Cl 2230a_100016988866_100000181238 [0,1,1,0,0,0|2,0,0]=4 2130 B15R1.633 CCNC(=O)CNCc1cccc(c1)Cl 270004a_100016988866_100000210801 [0,1,1,0,0,0|2,0,0]=4 2131 B15R1.633 CCNC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000183381 [0,1,1,0,0,0|2,0,0]=4 2132 B15R1.633 CCNC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000183381 [0,1,1,0,0,0|2,0,0]=4 2133 B15R1.633 CCNC(=O)CNCc1cccc(c1)F 2230a_100016988866_100000230114 [0,1,1,0,0,0|2,0,0]=4 2134 B15R1.633 CCNC(=O)CNCc1cccc(c1)F 270004a_100016988866_100000210812 [0,1,1,0,0,0|2,0,0]=4 2135 B15R1.633 CCNC(=O)CNCc1cccc(c1)F 34a_100000174948_100000183381 [0,1,1,0,0,0|2,0,0]=4 2136 B15R1.633 CCNC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000183381 [0,1,1,0,0,0|2,0,0]=4 2137 B15R1.633 CCNC(=O)CNCc1cccc(c1)I 2230a_100016988866_100011218688 [0,1,1,0,0,0|2,0,0]=4 2138 B15R1.633 CCNC(=O)CNCc1cccc(c1)I 270004a_100016988866_100000014684 [0,1,1,0,0,0|2,0,0]=4 2139 B15R1.633 CCNC(=O)CNCc1cccc(c1)I 34a_100000106179_100000183381 [0,1,1,0,0,0|2,0,0]=4 2140 B15R1.633 CCNC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000183381 [0,1,1,0,0,0|2,0,0]=4 2141 B15R1.633 CCNC(=O)CNCc1cccc(c1)O 2230a_100016988866_100011660834 [0,1,1,0,0,0|2,0,0]=4 2142 B15R1.633 CCNC(=O)CNCc1cccc(c1)O 270004a_100016988866_100000188321 [0,1,1,0,0,0|2,0,0]=4 2143 B15R1.633 CCNC(=O)CNCc1cccc(c1)O 34a_100000743036_100000183381 [0,1,1,0,0,0|2,0,0]=4 2144 B15R1.633 CCNC(=O)COCc1cc(ccn1)C 34a_100011998357_100000183381 [0,1,1,0,0,0|2,0,0]=4 2145 B15R1.633 CCNC(=O)COCc1cc(ccn1)Cl 34a_100000748867_100000183381 [0,1,1,0,0,0|2,0,0]=4 2146 B15R1.633 CCNC(=O)COCc1cc(ccn1)N 34a_100000692640_100000183381 [0,1,1,0,0,0|2,0,0]=4 2147 B15R1.633 CCNC(=O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000183381 [0,1,1,0,0,0|2,0,0]=4 2148 B15R1.633 CCNC(=O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000183381 [0,1,1,0,0,0|2,0,0]=4 2149 B15R1.633 CCNC(=O)COCc1cccc(c1)Br 34a_100000687537_100000183381 [0,1,1,0,0,0|1,0,0]=3 2150 B15R1.633 CCNC(=O)COCc1cccc(c1)Br 7a_100000687537_100000183381 [0,1,1,0,0,0|1,0,0]=3 2151 B15R1.633 CCNC(=O)COCc1cccc(c1)C 34a_100011217746_100000183381 [0,1,1,0,0,0|1,0,0]=3 2152 B15R1.633 CCNC(=O)COCc1cccc(c1)C 7a_100011217746_100000183381 [0,1,1,0,0,0|1,0,0]=3 2153 B15R1.633 CCNC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000183381 [0,1,1,0,0,0|1,0,0]=3 2154 B15R1.633 CCNC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000183381 [0,1,1,0,0,0|1,0,0]=3 2155 B15R1.633 CCNC(=O)COCc1cccc(c1)F 34a_100000210976_100000183381 [0,1,1,0,0,0|1,0,0]=3 2156 B15R1.633 CCNC(=O)COCc1cccc(c1)F 7a_100000210976_100000183381 [0,1,1,0,0,0|1,0,0]=3 2157 B15R1.633 CCNC(=O)COCc1cccc(c1)I 34a_100011215336_100000183381 [0,1,1,0,0,0|1,0,0]=3 2158 B15R1.633 CCNC(=O)COCc1cccc(c1)I 7a_100011215336_100000183381 [0,1,1,0,0,0|1,0,0]=3 2159 B15R1.633 CCNC(=O)COCc1cccc(c1)N 34a_100000211919_100000183381 [0,1,1,0,0,0|1,0,0]=3 2160 B15R1.633 CCNC(=O)COCc1cccc(n1)Br 34a_100000694195_100000183381 [0,1,1,0,0,0|2,0,0]=4 2161 B15R1.633 CCNC(=O)COCc1cccc(n1)C 34a_100000690600_100000183381 [0,1,1,0,0,0|2,0,0]=4 2162 B15R1.633 CCNC(=O)COCc1cccc(n1)Cl 34a_100011998359_100000183381 [0,1,1,0,0,0|2,0,0]=4 2163 B15R1.633 CCNC(=O)COCc1cccc(n1)F 34a_100000086748_100000183381 [0,1,1,0,0,0|2,0,0]=4 2164 B15R1.633 CCNC(=O)COCc1ccnc(c1)Br 34a_100009814636_100000183381 [0,1,1,0,0,0|2,0,0]=4 2165 B15R1.633 CCNC(=O)COCc1ccnc(c1)Br 7a_100009814636_100000183381 [0,1,1,0,0,0|2,0,0]=4 2166 B15R1.633 CCNC(=O)COCc1ccnc(c1)C 34a_100011998630_100000183381 [0,1,1,0,0,0|2,0,0]=4 2167 B15R1.633 CCNC(=O)COCc1ccnc(c1)Cl 34a_100000748751_100000183381 [0,1,1,0,0,0|2,0,0]=4 2168 B15R1.633 CCNC(=O)COCc1ccnc(c1)F 34a_100000082451_100000183381 [0,1,1,0,0,0|2,0,0]=4 2169 B15R1.633 CCNC(=O)COCc1cncc(c1)Br 34a_100011259137_100000183381 [0,1,1,0,0,0|2,0,0]=4 2170 B15R1.633 CCNC(=O)COCc1cncc(c1)Br 7a_100011259137_100000183381 [0,1,1,0,0,0|2,0,0]=4 2171 B15R1.633 CCNC(=O)COCc1cncc(c1)C 34a_100011998709_100000183381 [0,1,1,0,0,0|2,0,0]=4 2172 B15R1.633 CCNC(=O)COCc1cncc(c1)C 7a_100011998709_100000183381 [0,1,1,0,0,0|2,0,0]=4 2173 B15R1.633 CCNC(=O)COCc1cncc(c1)Cl 34a_100000092867_100000183381 [0,1,1,0,0,0|2,0,0]=4 2174 B15R1.633 CCNC(=O)COCc1cncc(c1)Cl 7a_100000092867_100000183381 [0,1,1,0,0,0|2,0,0]=4 2175 B15R1.633 CCNC(=O)COCc1cncc(c1)F 34a_100011962875_100000183381 [0,1,1,0,0,0|2,0,0]=4 2176 B15R1.633 CCNC(=O)COCc1cncc(c1)F 7a_100011962875_100000183381 [0,1,1,0,0,0|2,0,0]=4 2177 B15R1.633 CCNC(=O)COCc1cncc(c1)N 34a_100000085308_100000183381 [0,1,1,0,0,0|2,0,0]=4 2178 B15R1.633 CCNC(=O)CSCc1cccc(c1)Br 62a_100000183381_100000211773 [0,1,1,0,0,0|1,1,0]=4 2179 B15R1.633 CCNC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000183381 [0,1,1,0,0,0|1,1,0]=4 2180 B15R1.633 CCNC(=O)CSCc1cccc(c1)C 62a_100000183381_100000211840 [0,1,1,0,0,0|1,1,0]=4 2181 B15R1.633 CCNC(=O)CSCc1cccc(c1)C 62a_100000211840_100000183381 [0,1,1,0,0,0|1,1,0]=4 2182 B15R1.633 CCNC(=O)CSCc1cccc(c1)Cl 11a_100015525214_100000150269 [0,1,1,0,0,0|1,1,0]=4 2183 B15R1.633 CCNC(=O)CSCc1cccc(c1)Cl 240690a_100015525214_100000150269 [0,1,1,0,0,0|1,1,0]=4 2184 B15R1.633 CCNC(=O)CSCc1cccc(c1)Cl 527a_100015525214_100000150269 [0,1,1,0,0,0|1,1,0]=4 2185 B15R1.633 CCNC(=O)CSCc1cccc(c1)Cl 62a_100000183381_100000187163 [0,1,1,0,0,0|1,1,0]=4 2186 B15R1.633 CCNC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000183381 [0,1,1,0,0,0|1,1,0]=4 2187 B15R1.633 CCNC(=O)CSCc1cccc(c1)F 62a_100000183381_100000230114 [0,1,1,0,0,0|1,1,0]=4 2188 B15R1.633 CCNC(=O)CSCc1cccc(c1)F 62a_100000230114_100000183381 [0,1,1,0,0,0|1,1,0]=4 2189 B15R1.633 CCNC(=O)CSCc1cccc(c1)I 62a_100000183381_100011218688 [0,1,1,0,0,0|1,1,0]=4 2190 B15R1.633 CCNC(=O)CSCc1cccc(c1)I 62a_100011218688_100000183381 [0,1,1,0,0,0|1,1,0]=4 2191 B15R1.633 CCNC(=O)CSCc1cccc(c1)O 62a_100000183381_100011660834 [0,1,1,0,0,0|1,1,0]=4 2192 B15R1.633 CCNC(=O)CSCc1cccc(c1)O 62a_100011660834_100000183381 [0,1,1,0,0,0|1,1,0]=4 2193 B15R1.633 CCOC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000765890 [0,1,1,0,0,0|2,0,0]=4 2194 B15R1.633 CCOC(=O)CCNc1cccc(c1)C 2230a_100000188690_100011206558 [0,1,1,0,0,0|2,0,0]=4 2195 B15R1.633 CCOC(=O)CCNc1cccc(c1)C 34a_100000188690_100000765890 [0,1,1,0,0,0|2,0,0]=4 2196 B15R1.633 CCOC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000765890 [0,1,1,0,0,0|2,0,0]=4 2197 B15R1.633 CCOC(=O)CCNc1cccc(c1)F 34a_100000210047_100000765890 [0,1,1,0,0,0|2,0,0]=4 2198 B15R1.633 CCOC(=O)CCNc1cccc(c1)I 34a_100000211102_100000765890 [0,1,1,0,0,0|2,0,0]=4 2199 B15R1.633 CCOC(=O)CCNc1cccc(c1)O 34a_100000210217_100000765890 [0,1,1,0,0,0|2,0,0]=4 2200 B15R1.633 CCOC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000765890 [0,1,1,0,0,0|2,0,0]=4 2201 B15R1.633 CCOC(=O)CCOc1cccc(c1)Br 7a_100000210342_100011206558 [0,1,1,0,0,0|2,0,0]=4 2202 B15R1.633 CCOC(=O)CCOc1cccc(c1)C 34a_100000210337_100000765890 [0,1,1,0,0,0|2,0,0]=4 2203 B15R1.633 CCOC(=O)CCOc1cccc(c1)C 7a_100000210337_100011206558 [0,1,1,0,0,0|2,0,0]=4 2204 B15R1.633 CCOC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000765890 [0,1,1,0,0,0|2,0,0]=4 2205 B15R1.633 CCOC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100011206558 [0,1,1,0,0,0|2,0,0]=4 2206 B15R1.633 CCOC(=O)CCOc1cccc(c1)F 34a_100000210426_100000765890 [0,1,1,0,0,0|2,0,0]=4 2207 B15R1.633 CCOC(=O)CCOc1cccc(c1)F 7a_100000210426_100011206558 [0,1,1,0,0,0|2,0,0]=4 2208 B15R1.633 CCOC(=O)CCOc1cccc(c1)I 34a_100000211634_100000765890 [0,1,1,0,0,0|2,0,0]=4 2209 B15R1.633 CCOC(=O)CCOc1cccc(c1)I 7a_100000211634_100011206558 [0,1,1,0,0,0|2,0,0]=4 2210 B15R1.633 CCOC(=O)CCOc1cccc(c1)N 34a_100000210217_100000765890 [0,1,1,0,0,0|2,0,0]=4 2211 B15R1.633 CCOC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000765890 [0,1,1,0,0,0|2,0,0]=4 2212 B15R1.633 CCOC(=O)CCSc1cccc(c1)Br 62a_100000765890_100000691529 [0,1,1,0,0,0|2,0,0]=4 2213 B15R1.633 CCOC(=O)CCSc1cccc(c1)C 62a_100000765890_100011215228 [0,1,1,0,0,0|2,0,0]=4 2214 B15R1.633 CCOC(=O)CCSc1cccc(c1)C 62a_100011215228_100000765890 [0,1,1,0,0,0|2,0,0]=4 2215 B15R1.633 CCOC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000765890 [0,1,1,0,0,0|2,0,0]=4 2216 B15R1.633 CCOC(=O)CCSc1cccc(c1)Cl 62a_100000765890_100000699651 [0,1,1,0,0,0|2,0,0]=4 2217 B15R1.633 CCOC(=O)CCSc1cccc(c1)F 62a_100000685547_100000765890 [0,1,1,0,0,0|2,0,0]=4 2218 B15R1.633 CCOC(=O)CCSc1cccc(c1)F 62a_100000765890_100000685547 [0,1,1,0,0,0|2,0,0]=4 2219 B15R1.633 CCOC(=O)CCSc1cccc(c1)N 62a_100000210019_100000765890 [0,1,1,0,0,0|2,0,0]=4 2220 B15R1.633 CCOC(=O)CCSc1cccc(c1)N 62a_100000765890_100000210019 [0,1,1,0,0,0|2,0,0]=4 2221 B15R1.633 CCOC(=O)CCSc1cccc(c1)O 62a_100000765890_100000211634 [0,1,1,0,0,0|2,0,0]=4 2222 B15R1.633 CCOC(=O)CCSc1cccc(c1)[S] 62a_100000765890_114929384022 [0,1,1,0,0,0|2,0,0]=4 2223 B15R1.633 CCOC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000765890 [0,1,1,0,0,0|2,0,0]=4 2224 B15R1.633 CCOC(=O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100000188475 [0,1,1,0,0,0|2,0,0]=4 2225 B15R1.633 CCOC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000188475 [0,1,1,0,0,0|1,0,0]=3 2226 B15R1.633 CCOC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000188475 [0,1,1,0,0,0|1,0,0]=3 2227 B15R1.633 CCOC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000188475 [0,1,1,0,0,0|1,0,0]=3 2228 B15R1.633 CCOC(=O)CNCc1cccc(c1)C 34a_100000185548_100000188475 [0,1,1,0,0,0|1,0,0]=3 2229 B15R1.633 CCOC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000188475 [0,1,1,0,0,0|1,0,0]=3 2230 B15R1.633 CCOC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000188475 [0,1,1,0,0,0|1,0,0]=3 2231 B15R1.633 CCOC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000188475 [0,1,1,0,0,0|1,0,0]=3 2232 B15R1.633 CCOC(=O)CNCc1cccc(c1)F 34a_100000174948_100000188475 [0,1,1,0,0,0|1,0,0]=3 2233 B15R1.633 CCOC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000188475 [0,1,1,0,0,0|1,0,0]=3 2234 B15R1.633 CCOC(=O)CNCc1cccc(c1)I 34a_100000106179_100000188475 [0,1,1,0,0,0|1,0,0]=3 2235 B15R1.633 CCOC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000188475 [0,1,1,0,0,0|1,0,0]=3 2236 B15R1.633 CCOC(=O)CNCc1cccc(c1)O 34a_100000743036_100000188475 [0,1,1,0,0,0|1,0,0]=3 2237 B15R1.633 CCOC(=O)CNCc1cccc(n1)Br 2230a_100016987751_100000188475 [0,1,1,0,0,0|2,0,0]=4 2238 B15R1.633 CCOC(=O)CNCc1cccc(n1)C 34a_100000701342_100000188475 [0,1,1,0,0,0|2,0,0]=4 2239 B15R1.633 CCOC(=O)CNCc1cccc(n1)Cl 2230a_100016990191_100000188475 [0,1,1,0,0,0|2,0,0]=4 2240 B15R1.633 CCOC(=O)CNCc1cccc(n1)F 2230a_100015188798_100000188475 [0,1,1,0,0,0|2,0,0]=4 2241 B15R1.633 CCOC(=O)CNCc1cccc(n1)F 34a_100015188798_100000188475 [0,1,1,0,0,0|2,0,0]=4 2242 B15R1.633 CCOC(=O)CNCc1ccnc(c1)Br 2230a_100025757509_100000188475 [0,1,1,0,0,0|2,0,0]=4 2243 B15R1.633 CCOC(=O)CNCc1ccnc(c1)Br 34a_100025757509_100000188475 [0,1,1,0,0,0|2,0,0]=4 2244 B15R1.633 CCOC(=O)CNCc1ccnc(c1)C 34a_100011934566_100000188475 [0,1,1,0,0,0|2,0,0]=4 2245 B15R1.633 CCOC(=O)CNCc1ccnc(c1)Cl 2230a_100015205668_100000188475 [0,1,1,0,0,0|2,0,0]=4 2246 B15R1.633 CCOC(=O)CNCc1ccnc(c1)Cl 34a_100015205668_100000188475 [0,1,1,0,0,0|2,0,0]=4 2247 B15R1.633 CCOC(=O)CNCc1ccnc(c1)F 2230a_100015188774_100000188475 [0,1,1,0,0,0|2,0,0]=4 2248 B15R1.633 CCOC(=O)CNCc1ccnc(c1)F 34a_100015188774_100000188475 [0,1,1,0,0,0|2,0,0]=4 2249 B15R1.633 CCOC(=O)CNCc1cncc(c1)C 2230a_100000692839_100000188475 [0,1,1,0,0,0|2,0,0]=4 2250 B15R1.633 CCOC(=O)CNCc1cncc(c1)C 34a_100000692839_100000188475 [0,1,1,0,0,0|2,0,0]=4 2251 B15R1.633 CCOC(=O)CNCc1cncc(c1)Cl 2230a_200020614424_100000188475 [0,1,1,0,0,0|2,0,0]=4 2252 B15R1.633 CCOC(=O)CNCc1cncc(c1)F 2230a_100011962886_100000188475 [0,1,1,0,0,0|2,0,0]=4 2253 B15R1.633 CCOC(=O)CNCc1cncc(c1)F 34a_100011962886_100000188475 [0,1,1,0,0,0|2,0,0]=4 2254 B15R1.633 CCOC(=O)COCc1cc(ccn1)C 34a_100011998357_100000188475 [0,1,1,0,0,0|1,0,0]=3 2255 B15R1.633 CCOC(=O)COCc1cc(ccn1)Cl 34a_100000748867_100000188475 [0,1,1,0,0,0|1,0,0]=3 2256 B15R1.633 CCOC(=O)COCc1cc(ccn1)N 34a_100000692640_100000188475 [0,1,1,0,0,0|1,0,0]=3 2257 B15R1.633 CCOC(=O)COCc1cc(cnn1)C 34a_100016212594_100000188475 [0,1,1,0,0,0|2,0,0]=4 2258 B15R1.633 CCOC(=O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000188475 [0,1,1,0,0,0|1,0,0]=3 2259 B15R1.633 CCOC(=O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000188475 [0,1,1,0,0,0|1,0,0]=3 2260 B15R1.633 CCOC(=O)COCc1cccc(c1)Br 34a_100000687537_100000188475 [0,1,1,0,0,0|0,0,0]=2 2261 B15R1.633 CCOC(=O)COCc1cccc(c1)Br 7a_100000687537_100000188475 [0,1,1,0,0,0|0,0,0]=2 2262 B15R1.633 CCOC(=O)COCc1cccc(c1)C 34a_100011217746_100000188475 [0,1,1,0,0,0|0,0,0]=2 2263 B15R1.633 CCOC(=O)COCc1cccc(c1)C 7a_100011217746_100000188475 [0,1,1,0,0,0|0,0,0]=2 2264 B15R1.633 CCOC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000188475 [0,1,1,0,0,0|0,0,0]=2 2265 B15R1.633 CCOC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000188475 [0,1,1,0,0,0|0,0,0]=2 2266 B15R1.633 CCOC(=O)COCc1cccc(c1)F 34a_100000210976_100000188475 [0,1,1,0,0,0|0,0,0]=2 2267 B15R1.633 CCOC(=O)COCc1cccc(c1)F 7a_100000210976_100000188475 [0,1,1,0,0,0|0,0,0]=2 2268 B15R1.633 CCOC(=O)COCc1cccc(c1)I 34a_100011215336_100000188475 [0,1,1,0,0,0|0,0,0]=2 2269 B15R1.633 CCOC(=O)COCc1cccc(c1)I 7a_100011215336_100000188475 [0,1,1,0,0,0|0,0,0]=2 2270 B15R1.633 CCOC(=O)COCc1cccc(c1)N 34a_100000211919_100000188475 [0,1,1,0,0,0|0,0,0]=2 2271 B15R1.633 CCOC(=O)COCc1cccc(n1)Br 34a_100000694195_100000188475 [0,1,1,0,0,0|1,0,0]=3 2272 B15R1.633 CCOC(=O)COCc1cccc(n1)C 34a_100000690600_100000188475 [0,1,1,0,0,0|1,0,0]=3 2273 B15R1.633 CCOC(=O)COCc1cccc(n1)Cl 34a_100011998359_100000188475 [0,1,1,0,0,0|1,0,0]=3 2274 B15R1.633 CCOC(=O)COCc1cccc(n1)F 34a_100000086748_100000188475 [0,1,1,0,0,0|1,0,0]=3 2275 B15R1.633 CCOC(=O)COCc1ccnc(c1)Br 34a_100009814636_100000188475 [0,1,1,0,0,0|1,0,0]=3 2276 B15R1.633 CCOC(=O)COCc1ccnc(c1)Br 7a_100009814636_100000188475 [0,1,1,0,0,0|1,0,0]=3 2277 B15R1.633 CCOC(=O)COCc1ccnc(c1)C 34a_100011998630_100000188475 [0,1,1,0,0,0|1,0,0]=3 2278 B15R1.633 CCOC(=O)COCc1ccnc(c1)Cl 34a_100000748751_100000188475 [0,1,1,0,0,0|1,0,0]=3 2279 B15R1.633 CCOC(=O)COCc1ccnc(c1)F 34a_100000082451_100000188475 [0,1,1,0,0,0|1,0,0]=3 2280 B15R1.633 CCOC(=O)COCc1cncc(c1)Br 34a_100011259137_100000188475 [0,1,1,0,0,0|1,0,0]=3 2281 B15R1.633 CCOC(=O)COCc1cncc(c1)Br 7a_100011259137_100000188475 [0,1,1,0,0,0|1,0,0]=3 2282 B15R1.633 CCOC(=O)COCc1cncc(c1)C 34a_100011998709_100000188475 [0,1,1,0,0,0|1,0,0]=3 2283 B15R1.633 CCOC(=O)COCc1cncc(c1)C 7a_100011998709_100000188475 [0,1,1,0,0,0|1,0,0]=3 2284 B15R1.633 CCOC(=O)COCc1cncc(c1)Cl 34a_100000092867_100000188475 [0,1,1,0,0,0|1,0,0]=3 2285 B15R1.633 CCOC(=O)COCc1cncc(c1)Cl 7a_100000092867_100000188475 [0,1,1,0,0,0|1,0,0]=3 2286 B15R1.633 CCOC(=O)COCc1cncc(c1)F 34a_100011962875_100000188475 [0,1,1,0,0,0|1,0,0]=3 2287 B15R1.633 CCOC(=O)COCc1cncc(c1)F 7a_100011962875_100000188475 [0,1,1,0,0,0|1,0,0]=3 2288 B15R1.633 CCOC(=O)COCc1cncc(c1)N 34a_100000085308_100000188475 [0,1,1,0,0,0|1,0,0]=3 2289 B15R1.633 CCOC(=O)CSCc1cc(ccn1)Br 62a_100000188475_100010173614 [0,1,1,0,0,0|1,1,0]=4 2290 B15R1.633 CCOC(=O)CSCc1cc(ccn1)Br 62a_100010173614_100000188475 [0,1,1,0,0,0|1,1,0]=4 2291 B15R1.633 CCOC(=O)CSCc1cc(ccn1)C 62a_100000188475_100000718516 [0,1,1,0,0,0|1,1,0]=4 2292 B15R1.633 CCOC(=O)CSCc1cc(ccn1)C 62a_100000718516_100000188475 [0,1,1,0,0,0|1,1,0]=4 2293 B15R1.633 CCOC(=O)CSCc1cc(ccn1)Cl 62a_100000188475_100016988179 [0,1,1,0,0,0|1,1,0]=4 2294 B15R1.633 CCOC(=O)CSCc1cc(ccn1)Cl 62a_100016988179_100000188475 [0,1,1,0,0,0|1,1,0]=4 2295 B15R1.633 CCOC(=O)CSCc1cccc(c1)Br 62a_100000188475_100000211773 [0,1,1,0,0,0|0,1,0]=3 2296 B15R1.633 CCOC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000188475 [0,1,1,0,0,0|0,1,0]=3 2297 B15R1.633 CCOC(=O)CSCc1cccc(c1)C 62a_100000188475_100000211840 [0,1,1,0,0,0|0,1,0]=3 2298 B15R1.633 CCOC(=O)CSCc1cccc(c1)C 62a_100000211840_100000188475 [0,1,1,0,0,0|0,1,0]=3 2299 B15R1.633 CCOC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000188475 [0,1,1,0,0,0|0,1,0]=3 2300 B15R1.633 CCOC(=O)CSCc1cccc(c1)Cl 62a_100000188475_100000187163 [0,1,1,0,0,0|0,1,0]=3 2301 B15R1.633 CCOC(=O)CSCc1cccc(c1)F 62a_100000188475_100000230114 [0,1,1,0,0,0|0,1,0]=3 2302 B15R1.633 CCOC(=O)CSCc1cccc(c1)F 62a_100000230114_100000188475 [0,1,1,0,0,0|0,1,0]=3 2303 B15R1.633 CCOC(=O)CSCc1cccc(c1)I 62a_100000188475_100011218688 [0,1,1,0,0,0|0,1,0]=3 2304 B15R1.633 CCOC(=O)CSCc1cccc(c1)I 62a_100011218688_100000188475 [0,1,1,0,0,0|0,1,0]=3 2305 B15R1.633 CCOC(=O)CSCc1cccc(c1)O 62a_100000188475_100011660834 [0,1,1,0,0,0|0,1,0]=3 2306 B15R1.633 CCOC(=O)CSCc1cccc(c1)O 62a_100011660834_100000188475 [0,1,1,0,0,0|0,1,0]=3 2307 B15R1.633 CCOC(=O)CSCc1cccc(n1)Br 62a_100000188475_100009889011 [0,1,1,0,0,0|1,1,0]=4 2308 B15R1.633 CCOC(=O)CSCc1cccc(n1)Br 62a_100009889011_100000188475 [0,1,1,0,0,0|1,1,0]=4 2309 B15R1.633 CCOC(=O)CSCc1cccc(n1)C 62a_100000188475_100000757606 [0,1,1,0,0,0|1,1,0]=4 2310 B15R1.633 CCOC(=O)CSCc1cccc(n1)C 62a_100000757606_100000188475 [0,1,1,0,0,0|1,1,0]=4 2311 B15R1.633 CCOC(=O)CSCc1cccc(n1)Cl 62a_100000086093_100000188475 [0,1,1,0,0,0|1,1,0]=4 2312 B15R1.633 CCOC(=O)CSCc1cccc(n1)Cl 62a_100000188475_100000086093 [0,1,1,0,0,0|1,1,0]=4 2313 B15R1.633 CCOC(=O)CSCc1cccc(n1)F 62a_100000188475_100009819644 [0,1,1,0,0,0|1,1,0]=4 2314 B15R1.633 CCOC(=O)CSCc1cccc(n1)F 62a_100009819644_100000188475 [0,1,1,0,0,0|1,1,0]=4 2315 B15R1.633 CCOC(=O)CSCc1ccnc(c1)Br 62a_100000188475_100010243470 [0,1,1,0,0,0|1,1,0]=4 2316 B15R1.633 CCOC(=O)CSCc1ccnc(c1)Br 62a_100010254460_100000188475 [0,1,1,0,0,0|1,1,0]=4 2317 B15R1.633 CCOC(=O)CSCc1ccnc(c1)C 62a_100000188475_200020672517 [0,1,1,0,0,0|1,1,0]=4 2318 B15R1.633 CCOC(=O)CSCc1ccnc(c1)C 62a_200020672517_100000188475 [0,1,1,0,0,0|1,1,0]=4 2319 B15R1.633 CCOC(=O)CSCc1ccnc(c1)Cl 62a_100000188475_100000764220 [0,1,1,0,0,0|1,1,0]=4 2320 B15R1.633 CCOC(=O)CSCc1ccnc(c1)Cl 62a_100000764220_100000188475 [0,1,1,0,0,0|1,1,0]=4 2321 B15R1.633 CCOC(=O)CSCc1cncc(c1)Br 62a_100000188475_100000738771 [0,1,1,0,0,0|1,1,0]=4 2322 B15R1.633 CCOC(=O)CSCc1cncc(c1)Br 62a_100000738771_100000188475 [0,1,1,0,0,0|1,1,0]=4 2323 B15R1.633 CCOC(=O)CSCc1cncc(c1)C 62a_100000188475_100000716715 [0,1,1,0,0,0|1,1,0]=4 2324 B15R1.633 CCOC(=O)CSCc1cncc(c1)C 62a_100000716715_100000188475 [0,1,1,0,0,0|1,1,0]=4 2325 B15R1.633 CCOC(=O)CSCc1cncc(c1)Cl 62a_100000188475_100016992070 [0,1,1,0,0,0|1,1,0]=4 2326 B15R1.633 CCOC(=O)CSCc1cncc(c1)Cl 62a_100016992070_100000188475 [0,1,1,0,0,0|1,1,0]=4 2327 B15R1.633 CCOC(=O)CSCc1cncc(c1)F 62a_100000188475_100000725299 [0,1,1,0,0,0|1,1,0]=4 2328 B15R1.633 CCOC(=O)CSCc1cncc(c1)F 62a_100000725299_100000188475 [0,1,1,0,0,0|1,1,0]=4 2329 B15R1.633 Cc1cccc(c1)COCC(=O)NCO 34a_100011217746_100000185155 [0,1,1,0,0,0|2,0,0]=4 2330 B15R1.633 Cc1cccc(c1)COCC(=O)NCO 7a_100011217746_100000185155 [0,1,1,0,0,0|2,0,0]=4 2331 B15R1.633 Nc1cccc(c1)COCC(=O)NCO 34a_100000211919_100000185155 [0,1,1,0,0,0|2,0,0]=4 2332 B15R1.633 O=C(COCc1cccc(c1)Br)NCO 34a_100000687537_100000185155 [0,1,1,0,0,0|2,0,0]=4 2333 B15R1.633 O=C(COCc1cccc(c1)Br)NCO 7a_100000687537_100000185155 [0,1,1,0,0,0|2,0,0]=4 2334 B15R1.633 O=C(COCc1cccc(c1)Cl)NCO 34a_100000241301_100000185155 [0,1,1,0,0,0|2,0,0]=4 2335 B15R1.633 O=C(COCc1cccc(c1)Cl)NCO 7a_100000241301_100000185155 [0,1,1,0,0,0|2,0,0]=4 2336 B15R1.633 O=C(COCc1cccc(c1)F)NCO 34a_100000210976_100000185155 [0,1,1,0,0,0|2,0,0]=4 2337 B15R1.633 O=C(COCc1cccc(c1)F)NCO 7a_100000210976_100000185155 [0,1,1,0,0,0|2,0,0]=4 2338 B15R1.633 O=C(COCc1cccc(c1)I)NCO 34a_100011215336_100000185155 [0,1,1,0,0,0|2,0,0]=4 2339 B15R1.633 O=C(COCc1cccc(c1)I)NCO 7a_100011215336_100000185155 [0,1,1,0,0,0|2,0,0]=4 2340 B15R1.809 CCCC(=O)CC(=O)Cc1ccccc1 1458a_100000211992_100000233483 [0,1,1,0,0,0|2,0,0]=4 2341 B15R1.809 CCCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000210303 [0,1,1,0,0,0|2,0,0]=4 2342 B15R1.809 CCCC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747444 [0,1,1,0,0,0|2,0,0]=4 2343 B15R1.809 CCCC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747444 [0,1,1,0,0,0|2,0,0]=4 2344 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 11a_100015525214_100000745601 [0,1,1,0,0,0|2,0,0]=4 2345 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000183381 [0,1,1,0,0,0|2,0,0]=4 2346 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 2230a_100000741943_100015291786 [0,1,1,0,0,0|2,0,0]=4 2347 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 240690a_100015525214_100000745601 [0,1,1,0,0,0|2,0,0]=4 2348 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000183381 [0,1,1,0,0,0|2,0,0]=4 2349 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 269982a_100000741943_100000211182 [0,1,1,0,0,0|2,0,0]=4 2350 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 270004a_100000741943_100015611070 [0,1,1,0,0,0|2,0,0]=4 2351 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 527a_100015525214_100000745601 [0,1,1,0,0,0|2,0,0]=4 2352 B15R1.809 CCOC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000188475 [0,1,1,0,0,0|2,0,0]=4 2353 B15R1.809 CCOC(=O)CC(=O)Cc1ccccc1 1458a_100000243816_100015291786 [0,1,1,0,0,0|1,0,0]=3 2354 B15R1.809 CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000188475 [0,1,1,0,0,0|2,0,0]=4 2355 B15R1.809 CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000243816_100000721315 [0,1,1,0,0,0|2,0,0]=4 2356 B15R1.809 CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000243816_100000733263 [0,1,1,0,0,0|2,0,0]=4 2357 B15R1.809 CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000188475 [0,1,1,0,0,0|2,0,0]=4 2358 B15R1.809 CCOC(=O)CC(=O)Cc1ccncc1 1458a_100000243816_100000705612 [0,1,1,0,0,0|2,0,0]=4 2359 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000243816 [0,1,1,0,0,0|2,0,0]=4 2360 B15R1.809 CCOC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817359 [0,1,1,0,0,0|2,0,0]=4 2361 B15R1.809 CCOC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817359 [0,1,1,0,0,0|2,0,0]=4 2362 B15R1.809 CCOC(=O)CC(C)Sc1ccccc1 62a_100009817359_100000041952 [0,1,1,0,0,0|2,0,0]=4 2363 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000188475 [0,1,1,0,0,0|1,0,0]=3 2364 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000219878_200000210301 [0,1,1,0,0,0|1,0,0]=3 2365 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000220588_100015291786 [0,1,1,0,0,0|1,0,0]=3 2366 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000188475 [0,1,1,0,0,0|1,0,0]=3 2367 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 269982a_100000219878_200000210301 [0,1,1,0,0,0|1,0,0]=3 2368 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 270004a_100000220588_100015611070 [0,1,1,0,0,0|1,0,0]=3 2369 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 2230a_100000207498_100000188475 [0,1,1,0,0,0|2,0,0]=4 2370 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 2230a_100000220428_200000210301 [0,1,1,0,0,0|2,0,0]=4 2371 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 2230a_100000220588_100000721315 [0,1,1,0,0,0|2,0,0]=4 2372 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 269982a_100000207498_100000188475 [0,1,1,0,0,0|2,0,0]=4 2373 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 269982a_100000220428_200000210301 [0,1,1,0,0,0|2,0,0]=4 2374 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 270004a_100000220588_100000209966 [0,1,1,0,0,0|2,0,0]=4 2375 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 2230a_100000184577_100000188475 [0,1,1,0,0,0|2,0,0]=4 2376 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 2230a_100000220588_100000741622 [0,1,1,0,0,0|2,0,0]=4 2377 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 269982a_100000184577_100000188475 [0,1,1,0,0,0|2,0,0]=4 2378 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 270004a_100000220588_100000209961 [0,1,1,0,0,0|2,0,0]=4 2379 B15R1.809 CCOC(=O)CN(C)Cc1ccncc1 2230a_100000187231_100000188475 [0,1,1,0,0,0|2,0,0]=4 2380 B15R1.809 CCOC(=O)CN(C)Cc1ccncc1 2230a_100000220588_100015193705 [0,1,1,0,0,0|2,0,0]=4 2381 B15R1.809 CCOC(=O)CN(C)Cc1ccncc1 269982a_100000187231_100000188475 [0,1,1,0,0,0|2,0,0]=4 2382 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219878_200025704644 [0,1,1,0,0,0|1,0,0]=3 2383 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219878_200025704644 [0,1,1,0,0,0|1,0,0]=3 2384 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccn1 2230a_100000220428_200025704644 [0,1,1,0,0,0|2,0,0]=4 2385 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccn1 269982a_100000220428_200025704644 [0,1,1,0,0,0|2,0,0]=4 2386 B15R1.826 CCCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000210303 [0,1,1,0,0,0|2,0,0]=4 2387 B15R1.826 CCCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000210303 [0,1,1,0,0,0|1,1,0]=4 2388 B15R1.826 CCCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000210303 [0,1,1,0,0,0|2,0,0]=4 2389 B15R1.826 CCCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000210303 [0,1,1,0,0,0|1,0,0]=3 2390 B15R1.826 CCNC(=O)C(C)CCc1ccccc1 11a_100015525214_100011435293 [0,1,1,0,0,0|2,0,0]=4 2391 B15R1.826 CCNC(=O)C(C)CCc1ccccc1 240690a_100015525214_100011435293 [0,1,1,0,0,0|2,0,0]=4 2392 B15R1.826 CCNC(=O)C(C)CCc1ccccc1 527a_100015525214_100011435293 [0,1,1,0,0,0|2,0,0]=4 2393 B15R1.826 CCNC(=O)C(C)NCc1ccccc1 2230a_100000736553_100015291786 [0,1,1,0,0,0|2,0,0]=4 2394 B15R1.826 CCNC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000230173 [0,1,1,0,0,0|2,0,0]=4 2395 B15R1.826 CCNC(=O)C(C)NCc1ccccc1 270004a_100000736553_100015611070 [0,1,1,0,0,0|2,0,0]=4 2396 B15R1.826 CCNC(=O)C(C)NCc1ccccc1 34a_100000736553_100015291786 [0,1,1,0,0,0|2,0,0]=4 2397 B15R1.826 CCNC(=O)C(C)NCc1ccccc1 34a_100015324214_100000230173 [0,1,1,0,0,0|2,0,0]=4 2398 B15R1.826 CCNC(=O)C(C)OCc1ccccc1 34a_100000210790_100000230173 [0,1,1,0,0,0|1,0,0]=3 2399 B15R1.826 CCNC(=O)C(C)OCc1ccccc1 7a_100000210790_100000230173 [0,1,1,0,0,0|1,0,0]=3 2400 B15R1.826 CCNC(=O)C(C)SCc1ccccc1 11a_100015525214_100000149570 [0,1,1,0,0,0|1,1,0]=4 2401 B15R1.826 CCNC(=O)C(C)SCc1ccccc1 240690a_100015525214_100000149570 [0,1,1,0,0,0|1,1,0]=4 2402 B15R1.826 CCNC(=O)C(C)SCc1ccccc1 527a_100015525214_100000149570 [0,1,1,0,0,0|1,1,0]=4 2403 B15R1.826 CCNC(=O)C(C)SCc1ccccc1 62a_100000211182_100000230173 [0,1,1,0,0,0|1,1,0]=4 2404 B15R1.826 CCNC(=O)C(C)SCc1ccccc1 62a_100000230173_100015291786 [0,1,1,0,0,0|1,1,0]=4 2405 B15R1.826 CCNC(=O)C(O)CCc1ccccc1 240690a_100015525214_100000242596 [0,1,1,0,0,0|2,0,0]=4 2406 B15R1.826 CCNC(=O)[C@H](C)OCc1ccccc1 11a_100015525214_100000703211 [0,1,1,0,0,0|1,0,0]=3 2407 B15R1.826 CCNC(=O)[C@H](C)OCc1ccccc1 240690a_100015525214_100000703211 [0,1,1,0,0,0|1,0,0]=3 2408 B15R1.826 CCNC(=O)[C@H](C)OCc1ccccc1 527a_100015525214_100000703211 [0,1,1,0,0,0|1,0,0]=3 2409 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 11a_100015324214_100014798877 [0,1,1,0,0,0|1,0,1]=4 2410 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100014798877 [0,1,1,0,0,0|1,0,1]=4 2411 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100014798877 [0,1,1,0,0,0|1,0,1]=4 2412 B15R1.826 CCOC(=O)C(C)NCc1ccccc1 2230a_100015324214_100011215307 [0,1,1,0,0,0|1,0,0]=3 2413 B15R1.826 CCOC(=O)C(C)NCc1ccccc1 34a_100015324214_100011216346 [0,1,1,0,0,0|1,0,0]=3 2414 B15R1.826 CCOC(=O)C(C)OCc1ccccc1 34a_100000210790_100011216346 [0,1,1,0,0,0|0,0,0]=2 2415 B15R1.826 CCOC(=O)C(C)OCc1ccccc1 7a_100000210790_100011216346 [0,1,1,0,0,0|0,0,0]=2 2416 B15R1.826 CCOC(=O)C(C)SCc1ccccc1 62a_100000211182_100011216346 [0,1,1,0,0,0|0,1,0]=3 2417 B15R1.826 CCOC(=O)C(C)SCc1ccccc1 62a_100011216346_100015291786 [0,1,1,0,0,0|0,1,0]=3 2418 B15R1.826 CCOC(=O)C(C)SCc1ccccn1 62a_100000721315_100011216346 [0,1,1,0,0,0|1,1,0]=4 2419 B15R1.826 CCOC(=O)C(C)SCc1ccccn1 62a_100011216346_100000721315 [0,1,1,0,0,0|1,1,0]=4 2420 B15R1.826 CCOC(=O)C(C)SCc1cccnc1 62a_100000741622_100011216346 [0,1,1,0,0,0|1,1,0]=4 2421 B15R1.826 CCOC(=O)C(C)SCc1cccnc1 62a_100011216346_100000741622 [0,1,1,0,0,0|1,1,0]=4 2422 B15R1.826 CCOC(=O)C(C)SCc1ccncc1 62a_100011216346_100015193705 [0,1,1,0,0,0|1,1,0]=4 2423 B15R1.826 CCOC(=O)C(C)SCc1ccncc1 62a_100015193705_100011216346 [0,1,1,0,0,0|1,1,0]=4 2424 B15R1.826 CCOC(=O)C(F)NCc1ccccc1 2230a_100015324214_100000760018 [0,1,1,0,0,0|1,0,0]=3 2425 B15R1.826 CCOC(=O)C(F)NCc1ccccc1 34a_100015324214_100000760018 [0,1,1,0,0,0|1,0,0]=3 2426 B15R1.826 CCOC(=O)C(F)OCc1ccccc1 34a_100000210790_100000760018 [0,1,1,0,0,0|0,0,0]=2 2427 B15R1.826 CCOC(=O)C(F)OCc1ccccc1 7a_100000210790_100000040065 [0,1,1,0,0,0|0,0,0]=2 2428 B15R1.826 CCOC(=O)C(F)SCc1ccccc1 62a_100000211182_100000760018 [0,1,1,0,0,0|0,1,0]=3 2429 B15R1.826 CCOC(=O)C(F)SCc1ccccc1 62a_100000760018_100015291786 [0,1,1,0,0,0|0,1,0]=3 2430 B15R1.826 CCOC(=O)C(F)SCc1ccccn1 62a_100000721315_100000760018 [0,1,1,0,0,0|1,1,0]=4 2431 B15R1.826 CCOC(=O)C(F)SCc1ccccn1 62a_100000760018_100000721315 [0,1,1,0,0,0|1,1,0]=4 2432 B15R1.826 CCOC(=O)C(F)SCc1cccnc1 62a_100000741622_100000760018 [0,1,1,0,0,0|1,1,0]=4 2433 B15R1.826 CCOC(=O)C(F)SCc1cccnc1 62a_100000760018_100000741622 [0,1,1,0,0,0|1,1,0]=4 2434 B15R1.826 CCOC(=O)C(F)SCc1ccncc1 62a_100000760018_100015193705 [0,1,1,0,0,0|1,1,0]=4 2435 B15R1.826 CCOC(=O)C(F)SCc1ccncc1 62a_100015193705_100000760018 [0,1,1,0,0,0|1,1,0]=4 2436 B15R1.826 CCOC(=O)[C@H](C)OCc1ccccc1 7a_100000751109_100000211182 [0,1,1,0,0,0|0,0,0]=2 2437 B15R1.826 CCOC(=O)[C@H](C)OCc1ccccn1 7a_100000751109_100000721315 [0,1,1,0,0,0|1,0,0]=3 2438 B15R1.826 CCOC(=O)[C@H](C)OCc1cccnc1 7a_100000751109_100000741622 [0,1,1,0,0,0|1,0,0]=3 2439 B15R1.826 CCOC(=O)[C@H](C)OCc1cccnn1 7a_100000751109_100016990269 [0,1,1,0,0,0|2,0,0]=4 2440 B15R1.826 CCOC(=O)[C@H](C)OCc1ccncc1 7a_100000751109_100015193705 [0,1,1,0,0,0|1,0,0]=3 2441 B15R1.826 CCOC(=O)[C@H](C)OCc1cnccn1 7a_100000751109_100016995436 [0,1,1,0,0,0|2,0,0]=4 2442 B15R1.826 CCOC(=O)[C@H](C)OCc1cncnc1 7a_100000751109_100015196519 [0,1,1,0,0,0|2,0,0]=4 2443 B15R1.826 CCOC(=O)[C@H](C)OCc1ncccn1 7a_100000751109_100000703007 [0,1,1,0,0,0|2,0,0]=4 2444 B15R1.826 CCSC(=O)[C@H](C)NCc1ccccc1 2230a_100103168634_100015291786 [0,1,1,0,0,0|1,1,0]=4 2445 B15R1.826 CNNC(=O)[C@H](C)OCc1ccccc1 22a_100016993582_100000703211 [0,1,1,0,0,0|2,0,0]=4 2446 B15R1.826 C[C@H](OCc1ccccc1)C(=O)CCF 1458a_100000703211_100011217306 [0,1,1,0,0,0|2,0,0]=4 2447 B15R1.826 C[C@H](OCc1ccccc1)C(=O)CCO 1458a_100000703211_100000211926 [0,1,1,0,0,0|2,0,0]=4 2448 B15R1.1252 C=COC(=O)COCc1ccccc1Br 34a_100000756307_100000036128 [0,1,1,0,0,0|0,0,2]=4 2449 B15R1.1252 C=COC(=O)COCc1ccccc1C 34a_100000698903_100000036128 [0,1,1,0,0,0|0,0,2]=4 2450 B15R1.1252 C=COC(=O)COCc1ccccc1Cl 34a_100000210847_100000036128 [0,1,1,0,0,0|0,0,2]=4 2451 B15R1.1252 C=COC(=O)COCc1ccccc1F 34a_100000211962_100000036128 [0,1,1,0,0,0|0,0,2]=4 2452 B15R1.1252 C=COC(=O)COCc1ccccc1I 34a_100000187465_100000036128 [0,1,1,0,0,0|0,0,2]=4 2453 B15R1.1252 C=COC(=O)COCc1ccccc1N 34a_100000212039_100000036128 [0,1,1,0,0,0|0,0,2]=4 2454 B15R1.1252 CCCC(=O)CCCc1ccccc1Br 1458a_100000211992_200011713681 [0,1,1,0,0,0|2,0,0]=4 2455 B15R1.1252 CCCC(=O)CCCc1ccccc1Cl 1458a_100000700343_100000210303 [0,1,1,0,0,0|2,0,0]=4 2456 B15R1.1252 CCCC(=O)CCCc1ccccc1O 1458a_100009859317_100000210303 [0,1,1,0,0,0|2,0,0]=4 2457 B15R1.1252 CCCC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747444 [0,1,1,0,0,0|2,0,0]=4 2458 B15R1.1252 CCCC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747444 [0,1,1,0,0,0|2,0,0]=4 2459 B15R1.1252 CCCC(=O)COCc1ccccc1Br 7a_100000756307_100000747444 [0,1,1,0,0,0|1,0,0]=3 2460 B15R1.1252 CCCC(=O)COCc1ccccc1C 7a_100000698903_100000747444 [0,1,1,0,0,0|1,0,0]=3 2461 B15R1.1252 CCCC(=O)COCc1ccccc1Cl 7a_100000210847_100000747444 [0,1,1,0,0,0|1,0,0]=3 2462 B15R1.1252 CCCC(=O)COCc1ccccc1F 7a_100000211962_100000747444 [0,1,1,0,0,0|1,0,0]=3 2463 B15R1.1252 CCCC(=O)COCc1ccccc1I 7a_100000187465_100000747444 [0,1,1,0,0,0|1,0,0]=3 2464 B15R1.1252 CCCC(=O)COCc1cccnc1Br 7a_100000719692_100000747444 [0,1,1,0,0,0|2,0,0]=4 2465 B15R1.1252 CCCC(=O)COCc1cccnc1C 7a_100000729262_100000747444 [0,1,1,0,0,0|2,0,0]=4 2466 B15R1.1252 CCCC(=O)COCc1cccnc1Cl 7a_100000748726_100000747444 [0,1,1,0,0,0|2,0,0]=4 2467 B15R1.1252 CCCC(=O)COCc1cccnc1F 7a_100000079888_100000747444 [0,1,1,0,0,0|2,0,0]=4 2468 B15R1.1252 CCCC(=O)CSCc1ccccc1Br 62a_100000184730_100000747444 [0,1,1,0,0,0|1,1,0]=4 2469 B15R1.1252 CCCC(=O)CSCc1ccccc1Br 62a_100000747444_100000184730 [0,1,1,0,0,0|1,1,0]=4 2470 B15R1.1252 CCCC(=O)CSCc1ccccc1C 1458a_100000150258_100000210303 [0,1,1,0,0,0|1,1,0]=4 2471 B15R1.1252 CCCC(=O)CSCc1ccccc1C 62a_100000211839_100000747444 [0,1,1,0,0,0|1,1,0]=4 2472 B15R1.1252 CCCC(=O)CSCc1ccccc1C 62a_100000747444_100000211839 [0,1,1,0,0,0|1,1,0]=4 2473 B15R1.1252 CCCC(=O)CSCc1ccccc1Cl 1458a_100000150270_100000210303 [0,1,1,0,0,0|1,1,0]=4 2474 B15R1.1252 CCCC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747444 [0,1,1,0,0,0|1,1,0]=4 2475 B15R1.1252 CCCC(=O)CSCc1ccccc1Cl 62a_100000747444_100000187162 [0,1,1,0,0,0|1,1,0]=4 2476 B15R1.1252 CCCC(=O)CSCc1ccccc1F 1458a_100000150260_100000210303 [0,1,1,0,0,0|1,1,0]=4 2477 B15R1.1252 CCCC(=O)CSCc1ccccc1F 62a_100000211605_100000747444 [0,1,1,0,0,0|1,1,0]=4 2478 B15R1.1252 CCCC(=O)CSCc1ccccc1F 62a_100000747444_100000211605 [0,1,1,0,0,0|1,1,0]=4 2479 B15R1.1252 CCCC(=O)CSCc1ccccc1I 62a_100000747444_100011216222 [0,1,1,0,0,0|1,1,0]=4 2480 B15R1.1252 CCCC(=O)CSCc1ccccc1I 62a_100011216222_100000747444 [0,1,1,0,0,0|1,1,0]=4 2481 B15R1.1252 CCNC(=O)CCCc1ccccc1Cl 11a_100015525214_100000700343 [0,1,1,0,0,0|2,0,0]=4 2482 B15R1.1252 CCNC(=O)CCCc1ccccc1Cl 240690a_100015525214_100000700343 [0,1,1,0,0,0|2,0,0]=4 2483 B15R1.1252 CCNC(=O)CCCc1ccccc1Cl 527a_100015525214_100000700343 [0,1,1,0,0,0|2,0,0]=4 2484 B15R1.1252 CCNC(=O)CCCc1ccccc1O 240690a_100015525214_100009859317 [0,1,1,0,0,0|2,0,0]=4 2485 B15R1.1252 CCNC(=O)CCCc1ccccc1O 527a_100015525214_100009859317 [0,1,1,0,0,0|2,0,0]=4 2486 B15R1.1252 CCNC(=O)CNCc1ccccc1Br 2230a_100000689332_100000183381 [0,1,1,0,0,0|2,0,0]=4 2487 B15R1.1252 CCNC(=O)CNCc1ccccc1Br 2230a_100016988866_100000184730 [0,1,1,0,0,0|2,0,0]=4 2488 B15R1.1252 CCNC(=O)CNCc1ccccc1Br 270004a_100016988866_100000211189 [0,1,1,0,0,0|2,0,0]=4 2489 B15R1.1252 CCNC(=O)CNCc1ccccc1Br 34a_100000689332_100000183381 [0,1,1,0,0,0|2,0,0]=4 2490 B15R1.1252 CCNC(=O)CNCc1ccccc1C 2230a_100016988866_100000211839 [0,1,1,0,0,0|2,0,0]=4 2491 B15R1.1252 CCNC(=O)CNCc1ccccc1C 270004a_100016988866_100000211143 [0,1,1,0,0,0|2,0,0]=4 2492 B15R1.1252 CCNC(=O)CNCc1ccccc1C 34a_100000174972_100000183381 [0,1,1,0,0,0|2,0,0]=4 2493 B15R1.1252 CCNC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000183381 [0,1,1,0,0,0|2,0,0]=4 2494 B15R1.1252 CCNC(=O)CNCc1ccccc1Cl 2230a_100016988866_100000187162 [0,1,1,0,0,0|2,0,0]=4 2495 B15R1.1252 CCNC(=O)CNCc1ccccc1Cl 270004a_100016988866_100000210073 [0,1,1,0,0,0|2,0,0]=4 2496 B15R1.1252 CCNC(=O)CNCc1ccccc1Cl 34a_100000174879_100000183381 [0,1,1,0,0,0|2,0,0]=4 2497 B15R1.1252 CCNC(=O)CNCc1ccccc1F 2230a_100016988866_100000211605 [0,1,1,0,0,0|2,0,0]=4 2498 B15R1.1252 CCNC(=O)CNCc1ccccc1F 270004a_100016988866_100000210811 [0,1,1,0,0,0|2,0,0]=4 2499 B15R1.1252 CCNC(=O)CNCc1ccccc1F 34a_100000174869_100000183381 [0,1,1,0,0,0|2,0,0]=4 2500 B15R1.1252 CCNC(=O)CNCc1ccccc1I 2230a_100016988866_100011215278 [0,1,1,0,0,0|2,0,0]=4 2501 B15R1.1252 CCNC(=O)CNCc1ccccc1I 270004a_100016988866_100000010305 [0,1,1,0,0,0|2,0,0]=4 2502 B15R1.1252 CCNC(=O)CNCc1ccccc1O 34a_100000185550_100000183381 [0,1,1,0,0,0|2,0,0]=4 2503 B15R1.1252 CCNC(=O)COCc1ccccc1Br 34a_100000756307_100000183381 [0,1,1,0,0,0|1,0,0]=3 2504 B15R1.1252 CCNC(=O)COCc1ccccc1Br 7a_100000756307_100000183381 [0,1,1,0,0,0|1,0,0]=3 2505 B15R1.1252 CCNC(=O)COCc1ccccc1C 34a_100000698903_100000183381 [0,1,1,0,0,0|1,0,0]=3 2506 B15R1.1252 CCNC(=O)COCc1ccccc1C 7a_100000698903_100000183381 [0,1,1,0,0,0|1,0,0]=3 2507 B15R1.1252 CCNC(=O)COCc1ccccc1Cl 34a_100000210847_100000183381 [0,1,1,0,0,0|1,0,0]=3 2508 B15R1.1252 CCNC(=O)COCc1ccccc1Cl 7a_100000210847_100000183381 [0,1,1,0,0,0|1,0,0]=3 2509 B15R1.1252 CCNC(=O)COCc1ccccc1F 34a_100000211962_100000183381 [0,1,1,0,0,0|1,0,0]=3 2510 B15R1.1252 CCNC(=O)COCc1ccccc1F 7a_100000211962_100000183381 [0,1,1,0,0,0|1,0,0]=3 2511 B15R1.1252 CCNC(=O)COCc1ccccc1I 34a_100000187465_100000183381 [0,1,1,0,0,0|1,0,0]=3 2512 B15R1.1252 CCNC(=O)COCc1ccccc1I 7a_100000187465_100000183381 [0,1,1,0,0,0|1,0,0]=3 2513 B15R1.1252 CCNC(=O)COCc1ccccc1N 34a_100000212039_100000183381 [0,1,1,0,0,0|1,0,0]=3 2514 B15R1.1252 CCNC(=O)COCc1cccnc1Br 34a_100000719692_100000183381 [0,1,1,0,0,0|2,0,0]=4 2515 B15R1.1252 CCNC(=O)COCc1cccnc1Br 7a_100000719692_100000183381 [0,1,1,0,0,0|2,0,0]=4 2516 B15R1.1252 CCNC(=O)COCc1cccnc1C 34a_100000729262_100000183381 [0,1,1,0,0,0|2,0,0]=4 2517 B15R1.1252 CCNC(=O)COCc1cccnc1C 7a_100000729262_100000183381 [0,1,1,0,0,0|2,0,0]=4 2518 B15R1.1252 CCNC(=O)COCc1cccnc1Cl 34a_100000748726_100000183381 [0,1,1,0,0,0|2,0,0]=4 2519 B15R1.1252 CCNC(=O)COCc1cccnc1Cl 7a_100000748726_100000183381 [0,1,1,0,0,0|2,0,0]=4 2520 B15R1.1252 CCNC(=O)COCc1cccnc1F 34a_100000079888_100000183381 [0,1,1,0,0,0|2,0,0]=4 2521 B15R1.1252 CCNC(=O)COCc1cccnc1F 7a_100000079888_100000183381 [0,1,1,0,0,0|2,0,0]=4 2522 B15R1.1252 CCNC(=O)COCc1ccncc1C 34a_100011997032_100000183381 [0,1,1,0,0,0|2,0,0]=4 2523 B15R1.1252 CCNC(=O)COCc1ccncc1F 34a_100012172863_100000183381 [0,1,1,0,0,0|2,0,0]=4 2524 B15R1.1252 CCNC(=O)COCc1cnccc1C 34a_100011996381_100000183381 [0,1,1,0,0,0|2,0,0]=4 2525 B15R1.1252 CCNC(=O)COCc1cnccc1Cl 34a_100000117392_100000183381 [0,1,1,0,0,0|2,0,0]=4 2526 B15R1.1252 CCNC(=O)COCc1ncccc1Br 34a_100011996772_100000183381 [0,1,1,0,0,0|2,0,0]=4 2527 B15R1.1252 CCNC(=O)COCc1ncccc1C 34a_100000698912_100000183381 [0,1,1,0,0,0|2,0,0]=4 2528 B15R1.1252 CCNC(=O)COCc1ncccc1Cl 34a_100012002383_100000183381 [0,1,1,0,0,0|2,0,0]=4 2529 B15R1.1252 CCNC(=O)COCc1ncccc1F 34a_100011934865_100000183381 [0,1,1,0,0,0|2,0,0]=4 2530 B15R1.1252 CCNC(=O)COCc1ncccc1N 34a_114873767017_100000183381 [0,1,1,0,0,0|2,0,0]=4 2531 B15R1.1252 CCNC(=O)CSCc1ccccc1Br 62a_100000183381_100000184730 [0,1,1,0,0,0|1,1,0]=4 2532 B15R1.1252 CCNC(=O)CSCc1ccccc1Br 62a_100000184730_100000183381 [0,1,1,0,0,0|1,1,0]=4 2533 B15R1.1252 CCNC(=O)CSCc1ccccc1C 11a_100015525214_100000150258 [0,1,1,0,0,0|1,1,0]=4 2534 B15R1.1252 CCNC(=O)CSCc1ccccc1C 240690a_100015525214_100000150258 [0,1,1,0,0,0|1,1,0]=4 2535 B15R1.1252 CCNC(=O)CSCc1ccccc1C 527a_100015525214_100000150258 [0,1,1,0,0,0|1,1,0]=4 2536 B15R1.1252 CCNC(=O)CSCc1ccccc1C 62a_100000183381_100000211839 [0,1,1,0,0,0|1,1,0]=4 2537 B15R1.1252 CCNC(=O)CSCc1ccccc1C 62a_100000211839_100000183381 [0,1,1,0,0,0|1,1,0]=4 2538 B15R1.1252 CCNC(=O)CSCc1ccccc1Cl 11a_100015525214_100000150270 [0,1,1,0,0,0|1,1,0]=4 2539 B15R1.1252 CCNC(=O)CSCc1ccccc1Cl 240690a_100015525214_100000150270 [0,1,1,0,0,0|1,1,0]=4 2540 B15R1.1252 CCNC(=O)CSCc1ccccc1Cl 527a_100015525214_100000150270 [0,1,1,0,0,0|1,1,0]=4 2541 B15R1.1252 CCNC(=O)CSCc1ccccc1Cl 62a_100000183381_100000187162 [0,1,1,0,0,0|1,1,0]=4 2542 B15R1.1252 CCNC(=O)CSCc1ccccc1Cl 62a_100000187162_100000183381 [0,1,1,0,0,0|1,1,0]=4 2543 B15R1.1252 CCNC(=O)CSCc1ccccc1F 11a_100015525214_100000150260 [0,1,1,0,0,0|1,1,0]=4 2544 B15R1.1252 CCNC(=O)CSCc1ccccc1F 240690a_100015525214_100000150260 [0,1,1,0,0,0|1,1,0]=4 2545 B15R1.1252 CCNC(=O)CSCc1ccccc1F 527a_100015525214_100000150260 [0,1,1,0,0,0|1,1,0]=4 2546 B15R1.1252 CCNC(=O)CSCc1ccccc1F 62a_100000183381_100000211605 [0,1,1,0,0,0|1,1,0]=4 2547 B15R1.1252 CCNC(=O)CSCc1ccccc1F 62a_100000211605_100000183381 [0,1,1,0,0,0|1,1,0]=4 2548 B15R1.1252 CCNC(=O)CSCc1ccccc1I 62a_100000183381_100011216222 [0,1,1,0,0,0|1,1,0]=4 2549 B15R1.1252 CCNC(=O)CSCc1ccccc1I 62a_100011216222_100000183381 [0,1,1,0,0,0|1,1,0]=4 2550 B15R1.1252 CCOC(=O)CCNc1ccccc1Br 34a_100000210017_100000765890 [0,1,1,0,0,0|2,0,0]=4 2551 B15R1.1252 CCOC(=O)CCNc1ccccc1C 34a_100015192222_100000765890 [0,1,1,0,0,0|2,0,0]=4 2552 B15R1.1252 CCOC(=O)CCNc1ccccc1Cl 34a_100000185783_100000765890 [0,1,1,0,0,0|2,0,0]=4 2553 B15R1.1252 CCOC(=O)CCNc1ccccc1F 34a_100000210422_100000765890 [0,1,1,0,0,0|2,0,0]=4 2554 B15R1.1252 CCOC(=O)CCNc1ccccc1I 34a_100000210053_100000765890 [0,1,1,0,0,0|2,0,0]=4 2555 B15R1.1252 CCOC(=O)CCNc1ccccc1O 34a_100000185747_100000765890 [0,1,1,0,0,0|2,0,0]=4 2556 B15R1.1252 CCOC(=O)CCOc1ccccc1Br 34a_100000181306_100000765890 [0,1,1,0,0,0|2,0,0]=4 2557 B15R1.1252 CCOC(=O)CCOc1ccccc1Br 7a_100000181306_100011206558 [0,1,1,0,0,0|2,0,0]=4 2558 B15R1.1252 CCOC(=O)CCOc1ccccc1C 34a_100000210338_100000765890 [0,1,1,0,0,0|2,0,0]=4 2559 B15R1.1252 CCOC(=O)CCOc1ccccc1C 7a_100000210338_100011206558 [0,1,1,0,0,0|2,0,0]=4 2560 B15R1.1252 CCOC(=O)CCOc1ccccc1Cl 34a_100000210172_100000765890 [0,1,1,0,0,0|2,0,0]=4 2561 B15R1.1252 CCOC(=O)CCOc1ccccc1Cl 7a_100000210172_100011206558 [0,1,1,0,0,0|2,0,0]=4 2562 B15R1.1252 CCOC(=O)CCOc1ccccc1F 34a_100000210171_100000765890 [0,1,1,0,0,0|2,0,0]=4 2563 B15R1.1252 CCOC(=O)CCOc1ccccc1F 7a_100000210171_100011206558 [0,1,1,0,0,0|2,0,0]=4 2564 B15R1.1252 CCOC(=O)CCOc1ccccc1I 34a_100000739446_100000765890 [0,1,1,0,0,0|2,0,0]=4 2565 B15R1.1252 CCOC(=O)CCOc1ccccc1I 7a_100000739446_100011206558 [0,1,1,0,0,0|2,0,0]=4 2566 B15R1.1252 CCOC(=O)CCOc1ccccc1N 34a_100000185747_100000765890 [0,1,1,0,0,0|2,0,0]=4 2567 B15R1.1252 CCOC(=O)CCOc1ccccc1N 7a_100000185747_100011206558 [0,1,1,0,0,0|2,0,0]=4 2568 B15R1.1252 CCOC(=O)CCSc1ccccc1Br 62a_100000695589_100000765890 [0,1,1,0,0,0|2,0,0]=4 2569 B15R1.1252 CCOC(=O)CCSc1ccccc1Br 62a_100000765890_100000695589 [0,1,1,0,0,0|2,0,0]=4 2570 B15R1.1252 CCOC(=O)CCSc1ccccc1C 62a_100000210755_100000765890 [0,1,1,0,0,0|2,0,0]=4 2571 B15R1.1252 CCOC(=O)CCSc1ccccc1C 62a_100000765890_100000210755 [0,1,1,0,0,0|2,0,0]=4 2572 B15R1.1252 CCOC(=O)CCSc1ccccc1Cl 62a_100000764095_100000765890 [0,1,1,0,0,0|2,0,0]=4 2573 B15R1.1252 CCOC(=O)CCSc1ccccc1Cl 62a_100000765890_100000764095 [0,1,1,0,0,0|2,0,0]=4 2574 B15R1.1252 CCOC(=O)CCSc1ccccc1F 62a_100000765890_100011215700 [0,1,1,0,0,0|2,0,0]=4 2575 B15R1.1252 CCOC(=O)CCSc1ccccc1F 62a_100011215700_100000765890 [0,1,1,0,0,0|2,0,0]=4 2576 B15R1.1252 CCOC(=O)CCSc1ccccc1N 62a_100000210017_100000765890 [0,1,1,0,0,0|2,0,0]=4 2577 B15R1.1252 CCOC(=O)CCSc1ccccc1N 62a_100000765890_100000210017 [0,1,1,0,0,0|2,0,0]=4 2578 B15R1.1252 CCOC(=O)CCSc1ccccc1O 62a_100000739446_100000765890 [0,1,1,0,0,0|2,0,0]=4 2579 B15R1.1252 CCOC(=O)CCSc1ccccc1O 62a_100000765890_100000739446 [0,1,1,0,0,0|2,0,0]=4 2580 B15R1.1252 CCOC(=O)CNCc1ccccc1Br 2230a_100000689332_100000188475 [0,1,1,0,0,0|1,0,0]=3 2581 B15R1.1252 CCOC(=O)CNCc1ccccc1Br 34a_100000689332_100000188475 [0,1,1,0,0,0|1,0,0]=3 2582 B15R1.1252 CCOC(=O)CNCc1ccccc1C 34a_100000174972_100000188475 [0,1,1,0,0,0|1,0,0]=3 2583 B15R1.1252 CCOC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000188475 [0,1,1,0,0,0|1,0,0]=3 2584 B15R1.1252 CCOC(=O)CNCc1ccccc1Cl 34a_100000174879_100000188475 [0,1,1,0,0,0|1,0,0]=3 2585 B15R1.1252 CCOC(=O)CNCc1ccccc1F 34a_100000174869_100000188475 [0,1,1,0,0,0|1,0,0]=3 2586 B15R1.1252 CCOC(=O)CNCc1ccccc1O 34a_100000185550_100000188475 [0,1,1,0,0,0|1,0,0]=3 2587 B15R1.1252 CCOC(=O)CNCc1cccnc1Br 2230a_100009818023_100000188475 [0,1,1,0,0,0|2,0,0]=4 2588 B15R1.1252 CCOC(=O)CNCc1cccnc1Br 34a_100009818023_100000188475 [0,1,1,0,0,0|2,0,0]=4 2589 B15R1.1252 CCOC(=O)CNCc1cccnc1Cl 2230a_100015189234_100000188475 [0,1,1,0,0,0|2,0,0]=4 2590 B15R1.1252 CCOC(=O)CNCc1cccnc1Cl 34a_100015189234_100000188475 [0,1,1,0,0,0|2,0,0]=4 2591 B15R1.1252 CCOC(=O)CNCc1cccnc1F 34a_100000724633_100000188475 [0,1,1,0,0,0|2,0,0]=4 2592 B15R1.1252 CCOC(=O)CNCc1ccncc1F 34a_100011935246_100000188475 [0,1,1,0,0,0|2,0,0]=4 2593 B15R1.1252 CCOC(=O)CNCc1ncccc1C 34a_100011223789_100000188475 [0,1,1,0,0,0|2,0,0]=4 2594 B15R1.1252 CCOC(=O)CNCc1ncccc1Cl 2230a_100015189233_100000188475 [0,1,1,0,0,0|2,0,0]=4 2595 B15R1.1252 CCOC(=O)CNCc1ncccc1F 34a_100000690088_100000188475 [0,1,1,0,0,0|2,0,0]=4 2596 B15R1.1252 CCOC(=O)COCc1ccccc1Br 34a_100000756307_100000188475 [0,1,1,0,0,0|0,0,0]=2 2597 B15R1.1252 CCOC(=O)COCc1ccccc1Br 7a_100000756307_100000188475 [0,1,1,0,0,0|0,0,0]=2 2598 B15R1.1252 CCOC(=O)COCc1ccccc1C 34a_100000698903_100000188475 [0,1,1,0,0,0|0,0,0]=2 2599 B15R1.1252 CCOC(=O)COCc1ccccc1C 7a_100000698903_100000188475 [0,1,1,0,0,0|0,0,0]=2 2600 B15R1.1252 CCOC(=O)COCc1ccccc1Cl 34a_100000210847_100000188475 [0,1,1,0,0,0|0,0,0]=2 2601 B15R1.1252 CCOC(=O)COCc1ccccc1Cl 7a_100000210847_100000188475 [0,1,1,0,0,0|0,0,0]=2 2602 B15R1.1252 CCOC(=O)COCc1ccccc1F 34a_100000211962_100000188475 [0,1,1,0,0,0|0,0,0]=2 2603 B15R1.1252 CCOC(=O)COCc1ccccc1F 7a_100000211962_100000188475 [0,1,1,0,0,0|0,0,0]=2 2604 B15R1.1252 CCOC(=O)COCc1ccccc1I 34a_100000187465_100000188475 [0,1,1,0,0,0|0,0,0]=2 2605 B15R1.1252 CCOC(=O)COCc1ccccc1I 7a_100000187465_100000188475 [0,1,1,0,0,0|0,0,0]=2 2606 B15R1.1252 CCOC(=O)COCc1ccccc1N 34a_100000212039_100000188475 [0,1,1,0,0,0|0,0,0]=2 2607 B15R1.1252 CCOC(=O)COCc1cccnc1Br 34a_100000719692_100000188475 [0,1,1,0,0,0|1,0,0]=3 2608 B15R1.1252 CCOC(=O)COCc1cccnc1Br 7a_100000719692_100000188475 [0,1,1,0,0,0|1,0,0]=3 2609 B15R1.1252 CCOC(=O)COCc1cccnc1C 34a_100000729262_100000188475 [0,1,1,0,0,0|1,0,0]=3 2610 B15R1.1252 CCOC(=O)COCc1cccnc1C 7a_100000729262_100000188475 [0,1,1,0,0,0|1,0,0]=3 2611 B15R1.1252 CCOC(=O)COCc1cccnc1Cl 34a_100000748726_100000188475 [0,1,1,0,0,0|1,0,0]=3 2612 B15R1.1252 CCOC(=O)COCc1cccnc1Cl 7a_100000748726_100000188475 [0,1,1,0,0,0|1,0,0]=3 2613 B15R1.1252 CCOC(=O)COCc1cccnc1F 34a_100000079888_100000188475 [0,1,1,0,0,0|1,0,0]=3 2614 B15R1.1252 CCOC(=O)COCc1cccnc1F 7a_100000079888_100000188475 [0,1,1,0,0,0|1,0,0]=3 2615 B15R1.1252 CCOC(=O)COCc1ccncc1C 34a_100011997032_100000188475 [0,1,1,0,0,0|1,0,0]=3 2616 B15R1.1252 CCOC(=O)COCc1ccncc1F 34a_100012172863_100000188475 [0,1,1,0,0,0|1,0,0]=3 2617 B15R1.1252 CCOC(=O)COCc1cnccc1C 34a_100011996381_100000188475 [0,1,1,0,0,0|1,0,0]=3 2618 B15R1.1252 CCOC(=O)COCc1cnccc1Cl 34a_100000117392_100000188475 [0,1,1,0,0,0|1,0,0]=3 2619 B15R1.1252 CCOC(=O)COCc1ncccc1Br 34a_100011996772_100000188475 [0,1,1,0,0,0|1,0,0]=3 2620 B15R1.1252 CCOC(=O)COCc1ncccc1C 34a_100000698912_100000188475 [0,1,1,0,0,0|1,0,0]=3 2621 B15R1.1252 CCOC(=O)COCc1ncccc1Cl 34a_100012002383_100000188475 [0,1,1,0,0,0|1,0,0]=3 2622 B15R1.1252 CCOC(=O)COCc1ncccc1F 34a_100011934865_100000188475 [0,1,1,0,0,0|1,0,0]=3 2623 B15R1.1252 CCOC(=O)COCc1ncccc1N 34a_114873767017_100000188475 [0,1,1,0,0,0|1,0,0]=3 2624 B15R1.1252 CCOC(=O)COCc1nccnc1Cl 34a_100000057004_100000188475 [0,1,1,0,0,0|2,0,0]=4 2625 B15R1.1252 CCOC(=O)CSCc1ccccc1Br 62a_100000184730_100000188475 [0,1,1,0,0,0|0,1,0]=3 2626 B15R1.1252 CCOC(=O)CSCc1ccccc1Br 62a_100000188475_100000184730 [0,1,1,0,0,0|0,1,0]=3 2627 B15R1.1252 CCOC(=O)CSCc1ccccc1C 62a_100000188475_100000211839 [0,1,1,0,0,0|0,1,0]=3 2628 B15R1.1252 CCOC(=O)CSCc1ccccc1C 62a_100000211839_100000188475 [0,1,1,0,0,0|0,1,0]=3 2629 B15R1.1252 CCOC(=O)CSCc1ccccc1Cl 62a_100000187162_100000188475 [0,1,1,0,0,0|0,1,0]=3 2630 B15R1.1252 CCOC(=O)CSCc1ccccc1Cl 62a_100000188475_100000187162 [0,1,1,0,0,0|0,1,0]=3 2631 B15R1.1252 CCOC(=O)CSCc1ccccc1F 62a_100000188475_100000211605 [0,1,1,0,0,0|0,1,0]=3 2632 B15R1.1252 CCOC(=O)CSCc1ccccc1F 62a_100000211605_100000188475 [0,1,1,0,0,0|0,1,0]=3 2633 B15R1.1252 CCOC(=O)CSCc1ccccc1I 62a_100000188475_100011216222 [0,1,1,0,0,0|0,1,0]=3 2634 B15R1.1252 CCOC(=O)CSCc1ccccc1I 62a_100011216222_100000188475 [0,1,1,0,0,0|0,1,0]=3 2635 B15R1.1252 CCOC(=O)CSCc1cccnc1Br 62a_100000188475_100010140945 [0,1,1,0,0,0|1,1,0]=4 2636 B15R1.1252 CCOC(=O)CSCc1cccnc1Br 62a_100010140945_100000188475 [0,1,1,0,0,0|1,1,0]=4 2637 B15R1.1252 CCOC(=O)CSCc1cccnc1C 62a_100000188475_100000732876 [0,1,1,0,0,0|1,1,0]=4 2638 B15R1.1252 CCOC(=O)CSCc1cccnc1C 62a_100000732876_100000188475 [0,1,1,0,0,0|1,1,0]=4 2639 B15R1.1252 CCOC(=O)CSCc1cccnc1Cl 62a_100000045678_100000188475 [0,1,1,0,0,0|1,1,0]=4 2640 B15R1.1252 CCOC(=O)CSCc1cccnc1Cl 62a_100000188475_100000045678 [0,1,1,0,0,0|1,1,0]=4 2641 B15R1.1252 CCOC(=O)CSCc1cccnc1F 62a_100000099810_100000188475 [0,1,1,0,0,0|1,1,0]=4 2642 B15R1.1252 CCOC(=O)CSCc1cccnc1F 62a_100000188475_100000099810 [0,1,1,0,0,0|1,1,0]=4 2643 B15R1.1252 CCOC(=O)CSCc1ccncc1C 62a_100000188475_100020672808 [0,1,1,0,0,0|1,1,0]=4 2644 B15R1.1252 CCOC(=O)CSCc1ccncc1C 62a_100020672808_100000188475 [0,1,1,0,0,0|1,1,0]=4 2645 B15R1.1252 CCOC(=O)CSCc1ccncc1Cl 62a_100000188475_100000763264 [0,1,1,0,0,0|1,1,0]=4 2646 B15R1.1252 CCOC(=O)CSCc1ccncc1Cl 62a_100000763264_100000188475 [0,1,1,0,0,0|1,1,0]=4 2647 B15R1.1252 CCOC(=O)CSCc1cnccc1C 62a_100000188475_100000690890 [0,1,1,0,0,0|1,1,0]=4 2648 B15R1.1252 CCOC(=O)CSCc1cnccc1C 62a_100000690890_100000188475 [0,1,1,0,0,0|1,1,0]=4 2649 B15R1.1252 CCOC(=O)CSCc1ncccc1Br 62a_100000188475_100025702911 [0,1,1,0,0,0|1,1,0]=4 2650 B15R1.1252 CCOC(=O)CSCc1ncccc1Br 62a_100025702911_100000188475 [0,1,1,0,0,0|1,1,0]=4 2651 B15R1.1252 CCOC(=O)CSCc1ncccc1C 62a_100000188475_100000696600 [0,1,1,0,0,0|1,1,0]=4 2652 B15R1.1252 CCOC(=O)CSCc1ncccc1C 62a_100000696600_100000188475 [0,1,1,0,0,0|1,1,0]=4 2653 B15R1.1252 CCOC(=O)CSCc1ncccc1Cl 62a_100000099807_100000188475 [0,1,1,0,0,0|1,1,0]=4 2654 B15R1.1252 CCOC(=O)CSCc1ncccc1Cl 62a_100000188475_100000099807 [0,1,1,0,0,0|1,1,0]=4 2655 B15R1.1252 CCOC(=O)CSCc1ncccc1F 62a_100000104219_100000188475 [0,1,1,0,0,0|1,1,0]=4 2656 B15R1.1252 CCOC(=O)CSCc1ncccc1F 62a_100000188475_100000104219 [0,1,1,0,0,0|1,1,0]=4 2657 B15R1.1252 CCOC(=O)CSCc1ncccc1O 62a_100000188475_200020655725 [0,1,1,0,0,0|1,1,0]=4 2658 B15R1.1252 CCOC(=O)CSCc1ncccc1O 62a_200020655725_100000188475 [0,1,1,0,0,0|1,1,0]=4 2659 B15R1.1252 Cc1ccccc1COCC(=O)NCO 34a_100000698903_100000185155 [0,1,1,0,0,0|2,0,0]=4 2660 B15R1.1252 Cc1ccccc1COCC(=O)NCO 7a_100000698903_100000185155 [0,1,1,0,0,0|2,0,0]=4 2661 B15R1.1252 Nc1ccccc1COCC(=O)NCO 34a_100000212039_100000185155 [0,1,1,0,0,0|2,0,0]=4 2662 B15R1.1252 O=C(COCc1ccccc1Br)NCO 34a_100000756307_100000185155 [0,1,1,0,0,0|2,0,0]=4 2663 B15R1.1252 O=C(COCc1ccccc1Br)NCO 7a_100000756307_100000185155 [0,1,1,0,0,0|2,0,0]=4 2664 B15R1.1252 O=C(COCc1ccccc1Cl)NCO 34a_100000210847_100000185155 [0,1,1,0,0,0|2,0,0]=4 2665 B15R1.1252 O=C(COCc1ccccc1Cl)NCO 7a_100000210847_100000185155 [0,1,1,0,0,0|2,0,0]=4 2666 B15R1.1252 O=C(COCc1ccccc1F)NCO 34a_100000211962_100000185155 [0,1,1,0,0,0|2,0,0]=4 2667 B15R1.1252 O=C(COCc1ccccc1F)NCO 7a_100000211962_100000185155 [0,1,1,0,0,0|2,0,0]=4 2668 B15R1.1252 O=C(COCc1ccccc1I)NCO 34a_100000187465_100000185155 [0,1,1,0,0,0|2,0,0]=4 2669 B15R1.1252 O=C(COCc1ccccc1I)NCO 7a_100000187465_100000185155 [0,1,1,0,0,0|2,0,0]=4 2670 B15R1.1321 CCC(C)C(=O)CCCc1ccccc1 1458a_100011192722_100000211621 [0,1,1,0,0,0|2,0,0]=4 2671 B15R1.1321 CCC(C)C(=O)CCCc1ccccc1 1458a_100011207963_100000758301 [0,1,1,0,0,0|2,0,0]=4 2672 B15R1.1321 CCC(C)C(=O)COCc1ccccc1 1458a_100000230186_100000758301 [0,1,1,0,0,0|1,0,0]=3 2673 B15R1.1321 CCC(C)C(=O)CSCc1ccccc1 1458a_100000150264_100000758301 [0,1,1,0,0,0|1,1,0]=4 2674 B15R1.1321 CCC(C)C(=O)CSCc1ccccc1 1458a_100011192722_200011217039 [0,1,1,0,0,0|1,1,0]=4 2675 B15R1.1321 CCC(O)C(=O)CCCc1ccccc1 1458a_100011196387_100000211621 [0,1,1,0,0,0|2,0,0]=4 2676 B15R1.1321 CCC(O)C(=O)CSCc1ccccc1 1458a_100011196387_200011217039 [0,1,1,0,0,0|1,1,0]=4 2677 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 11a_100000225621_100011207963 [0,1,1,0,0,0|2,0,0]=4 2678 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 1626a_100000225621_100011207963 [0,1,1,0,0,0|2,0,0]=4 2679 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 240690a_100000225621_100011207963 [0,1,1,0,0,0|2,0,0]=4 2680 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 527a_100000225621_100011207963 [0,1,1,0,0,0|2,0,0]=4 2681 B15R1.1321 CCN(C)C(=O)CNCc1ccccc1 2230a_100015324214_100000738999 [0,1,1,0,0,0|2,0,0]=4 2682 B15R1.1321 CCN(C)C(=O)CNCc1ccccc1 34a_100015324214_100000738999 [0,1,1,0,0,0|2,0,0]=4 2683 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 11a_100000225621_100000230186 [0,1,1,0,0,0|1,0,0]=3 2684 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 1626a_100000225621_100000230186 [0,1,1,0,0,0|1,0,0]=3 2685 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 240690a_100000225621_100000230186 [0,1,1,0,0,0|1,0,0]=3 2686 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 34a_100000210790_100000738999 [0,1,1,0,0,0|1,0,0]=3 2687 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 527a_100000225621_100000230186 [0,1,1,0,0,0|1,0,0]=3 2688 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 7a_100000210790_100000738999 [0,1,1,0,0,0|1,0,0]=3 2689 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 11a_100000225621_100000150264 [0,1,1,0,0,0|1,1,0]=4 2690 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 1626a_100000225621_100000150264 [0,1,1,0,0,0|1,1,0]=4 2691 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 240690a_100000225621_100000150264 [0,1,1,0,0,0|1,1,0]=4 2692 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 527a_100000225621_100000150264 [0,1,1,0,0,0|1,1,0]=4 2693 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 62a_100000211182_100000738999 [0,1,1,0,0,0|1,1,0]=4 2694 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 62a_100000738999_100015291786 [0,1,1,0,0,0|1,1,0]=4 2695 B15R1.1321 COC(=O)C(=O)COCc1ccccc1 34a_100000210790_100011610305 [0,1,1,0,0,0|2,0,0]=4 2696 B15R1.1321 CON(C)C(=O)COCc1ccccc1 7a_100000210790_100000764215 [0,1,1,0,0,0|2,0,0]=4 2697 B15R1.9084 C=C(C)CC(=O)COCc1ccccc1 1458a_100000230186_100000748629 [0,1,1,0,0,0|1,0,1]=4 2698 B15R1.9084 CC(=O)NC(=O)COCc1ccccc1 7a_100000210790_100000183797 [0,1,1,0,0,0|1,0,1]=4 2699 B15R1.9084 CC(C)CC(=O)CCCc1ccccc1 1458a_100000210554_100000211621 [0,1,1,0,0,0|2,0,0]=4 2700 B15R1.9084 CC(C)CC(=O)CCCc1ccccc1 1458a_100011207963_100000210624 [0,1,1,0,0,0|2,0,0]=4 2701 B15R1.9084 CC(C)CC(=O)COCc1ccccc1 1458a_100000230186_100000210624 [0,1,1,0,0,0|1,0,0]=3 2702 B15R1.9084 CC(C)CC(=O)CSCc1ccccc1 1458a_100000150264_100000210624 [0,1,1,0,0,0|1,1,0]=4 2703 B15R1.9084 CC(C)CC(=O)CSCc1ccccc1 1458a_100000210554_200011217039 [0,1,1,0,0,0|1,1,0]=4 2704 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 11a_100138425928_100011207963 [0,1,1,0,0,0|2,0,0]=4 2705 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 1626a_100138425928_100011207963 [0,1,1,0,0,0|2,0,0]=4 2706 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 240690a_100138425928_100011207963 [0,1,1,0,0,0|2,0,0]=4 2707 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 527a_100138425928_100011207963 [0,1,1,0,0,0|2,0,0]=4 2708 B15R1.9084 CC(C)NC(=O)CNCc1ccccc1 207a_100000168517_100015611070 [0,1,1,0,0,0|2,0,0]=4 2709 B15R1.9084 CC(C)NC(=O)CNCc1ccccc1 2230a_100000168517_100015291786 [0,1,1,0,0,0|2,0,0]=4 2710 B15R1.9084 CC(C)NC(=O)CNCc1ccccc1 2230a_100015324214_100000183996 [0,1,1,0,0,0|2,0,0]=4 2711 B15R1.9084 CC(C)NC(=O)CNCc1ccccc1 270004a_100000168517_100015611070 [0,1,1,0,0,0|2,0,0]=4 2712 B15R1.9084 CC(C)NC(=O)CNCc1ccccc1 34a_100015324214_100000183996 [0,1,1,0,0,0|2,0,0]=4 2713 B15R1.9084 CC(C)NC(=O)COCc1ccccc1 11a_100138425928_100000230186 [0,1,1,0,0,0|1,0,0]=3 2714 B15R1.9084 CC(C)NC(=O)COCc1ccccc1 1626a_100138425928_100000230186 [0,1,1,0,0,0|1,0,0]=3 2715 B15R1.9084 CC(C)NC(=O)COCc1ccccc1 240690a_100138425928_100000230186 [0,1,1,0,0,0|1,0,0]=3 2716 B15R1.9084 CC(C)NC(=O)COCc1ccccc1 34a_100000210790_100000183996 [0,1,1,0,0,0|1,0,0]=3 2717 B15R1.9084 CC(C)NC(=O)COCc1ccccc1 527a_100138425928_100000230186 [0,1,1,0,0,0|1,0,0]=3 2718 B15R1.9084 CC(C)NC(=O)COCc1ccccc1 7a_100000210790_100000183996 [0,1,1,0,0,0|1,0,0]=3 2719 B15R1.9084 CC(C)NC(=O)CSCc1ccccc1 11a_100138425928_100000150264 [0,1,1,0,0,0|1,1,0]=4 2720 B15R1.9084 CC(C)NC(=O)CSCc1ccccc1 1626a_100138425928_100000150264 [0,1,1,0,0,0|1,1,0]=4 2721 B15R1.9084 CC(C)NC(=O)CSCc1ccccc1 240690a_100138425928_100000150264 [0,1,1,0,0,0|1,1,0]=4 2722 B15R1.9084 CC(C)NC(=O)CSCc1ccccc1 527a_100138425928_100000150264 [0,1,1,0,0,0|1,1,0]=4 2723 B15R1.9084 CC(C)NC(=O)CSCc1ccccc1 62a_100000183996_100015291786 [0,1,1,0,0,0|1,1,0]=4 2724 B15R1.9084 CC(C)NC(=O)CSCc1ccccc1 62a_100000211182_100000183996 [0,1,1,0,0,0|1,1,0]=4 2725 B15R1.9084 CC(C)OC(=O)CCOc1ccccc1 7a_100000210340_100000760027 [0,1,1,0,0,0|2,0,0]=4 2726 B15R1.9084 CC(C)OC(=O)CCSc1ccccc1 62a_100000719477_100000760027 [0,1,1,0,0,0|2,0,0]=4 2727 B15R1.9084 CC(C)OC(=O)CCSc1ccccc1 62a_100000760027_100000041952 [0,1,1,0,0,0|2,0,0]=4 2728 B15R1.9084 CC(C)OC(=O)CNCc1ccccc1 2230a_100015324214_100011215430 [0,1,1,0,0,0|1,0,0]=3 2729 B15R1.9084 CC(C)OC(=O)CNCc1ccccc1 34a_100015324214_100011215430 [0,1,1,0,0,0|1,0,0]=3 2730 B15R1.9084 CC(C)OC(=O)COCc1ccccc1 34a_100000210790_100011215430 [0,1,1,0,0,0|0,0,0]=2 2731 B15R1.9084 CC(C)OC(=O)COCc1ccccc1 7a_100000210790_100011215430 [0,1,1,0,0,0|0,0,0]=2 2732 B15R1.9084 CC(C)OC(=O)CSCc1ccccc1 62a_100000211182_100011215430 [0,1,1,0,0,0|0,1,0]=3 2733 B15R1.9084 CC(C)OC(=O)CSCc1ccccc1 62a_100011215430_100015291786 [0,1,1,0,0,0|0,1,0]=3 2734 B15R1.9084 CC(C)OC(=O)CSCc1ccccn1 62a_100000721315_100011215430 [0,1,1,0,0,0|1,1,0]=4 2735 B15R1.9084 CC(C)OC(=O)CSCc1ccccn1 62a_100011215430_100000721315 [0,1,1,0,0,0|1,1,0]=4 2736 B15R1.9084 CC(C)OC(=O)CSCc1cccnc1 62a_100000741622_100011215430 [0,1,1,0,0,0|1,1,0]=4 2737 B15R1.9084 CC(C)OC(=O)CSCc1cccnc1 62a_100011215430_100000741622 [0,1,1,0,0,0|1,1,0]=4 2738 B15R1.9084 CC(C)OC(=O)CSCc1ccncc1 62a_100011215430_100015193705 [0,1,1,0,0,0|1,1,0]=4 2739 B15R1.9084 CC(C)OC(=O)CSCc1ccncc1 62a_100015193705_100011215430 [0,1,1,0,0,0|1,1,0]=4 2740 B15R1.9084 CC(C)OC(C)COCc1ccccc1 34a_100000764311_100000210206 [0,1,1,0,0,0|1,0,1]=4 2741 B15R1.9084 CC(C)OC(C)COCc1ccccc1 7a_100000764311_100000210206 [0,1,1,0,0,0|1,0,1]=4 2742 B15R1.9084 CC(O)CC(=O)CCCc1ccccc1 1458a_100011207963_100011218427 [0,1,1,0,0,0|2,0,0]=4 2743 B15R1.9084 CC(O)CC(=O)COCc1ccccc1 1458a_100000230186_100011218427 [0,1,1,0,0,0|1,0,0]=3 2744 B15R1.9084 CC(O)CC(=O)CSCc1ccccc1 1458a_100000150264_100011218427 [0,1,1,0,0,0|1,1,0]=4 2745 B15R1.9084 C[C@@H](O)CC(=O)CCCc1ccccc1 1458a_100011933948_100000211621 [0,1,1,0,0,0|2,0,0]=4 2746 B15R1.9084 C[C@@H](O)CC(=O)CSCc1ccccc1 1458a_100011933948_200011217039 [0,1,1,0,0,0|1,1,0]=4 2747 B15R1.9084 O=C(COCc1ccccc1)CC(F)F 1458a_100000230186_100011934356 [0,1,1,0,0,0|2,0,0]=4 2748 B15R2.1226 CC(C)OCC1CC1c2ccccc2 34a_100011997005_100000210206 [1,1,0,0,0,0|1,0,1]=4 2749 B15R2.1226 CC(C)OCC1CC1c2ccccc2 7a_100011997005_100000210206 [1,1,0,0,0,0|1,0,1]=4 2750 B15R2.1226 CC(C)OCC1OC1c2ccccc2 34a_100000032844_100000210206 [1,1,0,0,0,0|0,0,1]=3 2751 B15R2.1226 CC(C)OCC1OC1c2ccccc2 7a_100000032844_100000210206 [1,1,0,0,0,0|0,0,1]=3 2752 B15R2.1262 C#CCOCC1OC1c2ccccc2 34a_100000032844_100000184674 [1,1,0,0,0,0|0,0,2]=4 2753 B15R2.1262 C#CCOCC1OC1c2ccccc2 7a_100000032844_100000038162 [1,1,0,0,0,0|0,0,2]=4 2754 B15R2.1262 C=CCOCC1OC1c2ccccc2 34a_100000032844_100015514636 [1,1,0,0,0,0|0,0,2]=4 2755 B15R2.1262 C=CCOCC1OC1c2ccccc2 7a_100000032844_100015514636 [1,1,0,0,0,0|0,0,2]=4 2756 B15R2.1262 CCCOCC1CC1c2ccccc2 34a_100011997005_100000210303 [1,1,0,0,0,0|1,0,1]=4 2757 B15R2.1262 CCCOCC1CC1c2ccccc2 7a_100011997005_100000210303 [1,1,0,0,0,0|1,0,1]=4 2758 B15R2.1262 CCCOCC1OC1c2ccccc2 34a_100000032844_100000210303 [1,1,0,0,0,0|0,0,1]=3 2759 B15R2.1262 CCCOCC1OC1c2ccccc2 7a_100000032844_100000210303 [1,1,0,0,0,0|0,0,1]=3 2760 B15R2.1262 CSCOCC1CC1c2ccccc2 34a_100011997005_100011218213 [1,1,0,0,0,0|1,0,1]=4 2761 B15R2.1262 CSCOCC1OC1c2ccccc2 34a_100000032844_100011218213 [1,1,0,0,0,0|0,0,1]=3 2762 B15R2.1262 FCCOCC1CC1c2ccccc2 34a_100011997005_100011217306 [1,1,0,0,0,0|1,0,1]=4 2763 B15R2.1262 FCCOCC1CC1c2ccccc2 7a_100011997005_100011217306 [1,1,0,0,0,0|1,0,1]=4 2764 B15R2.1262 FCCOCC1OC1c2ccccc2 34a_100000032844_100011217306 [1,1,0,0,0,0|0,0,1]=3 2765 B15R2.1262 FCCOCC1OC1c2ccccc2 7a_100000032844_100011217306 [1,1,0,0,0,0|0,0,1]=3 2766 B15R2.1262 N#CCOCC1OC1c2ccccc2 7a_100000032844_100011215382 [1,1,0,0,0,0|0,0,2]=4 2767 B15R2.1262 O=CCOCC1OC1c2ccccc2 34a_100000032844_200009817547 [1,1,0,0,0,0|0,0,2]=4 2768 B15R2.1262 O=CCOCC1OC1c2ccccc2 7a_100000032844_200015260668 [1,1,0,0,0,0|0,0,2]=4 2769 B15R2.1262 OCCOCC1CC1c2ccccc2 34a_100011997005_100000211926 [1,1,0,0,0,0|1,0,1]=4 2770 B15R2.1262 OCCOCC1CC1c2ccccc2 7a_100011997005_100000211926 [1,1,0,0,0,0|1,0,1]=4 2771 B15R2.1262 OCCOCC1OC1c2ccccc2 34a_100000032844_100000211926 [1,1,0,0,0,0|0,0,1]=3 2772 B15R2.1262 OCCOCC1OC1c2ccccc2 7a_100000032844_100000211926 [1,1,0,0,0,0|0,0,1]=3 2773 B15R2.1559 CCC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000210202 [1,1,0,0,0,0|1,0,0]=3 2774 B15R2.1559 CCC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000210202 [1,1,0,0,0,0|1,0,0]=3 2775 B15R2.1559 CCC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000210202 [1,1,0,0,0,0|1,0,0]=3 2776 B15R2.1559 CNC(=O)C1CC1c2ccc(cc2)Cl 11a_106832991635_100000235803 [1,1,0,0,0,0|2,0,0]=4 2777 B15R2.1559 CNC(=O)C1CC1c2ccc(cc2)Cl 527a_100102657272_100000235803 [1,1,0,0,0,0|2,0,0]=4 2778 B15R2.1559 CNC(=O)C1CC1c2ccc(cc2)F 11a_106832991635_200015190327 [1,1,0,0,0,0|2,0,0]=4 2779 B15R2.1559 CNC(=O)C1CC1c2ccc(cc2)F 240690a_100102657272_200015190327 [1,1,0,0,0,0|2,0,0]=4 2780 B15R2.1559 CNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 11a_106832991635_100010113649 [1,1,0,0,0,0|2,0,0]=4 2781 B15R2.1559 CNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1626a_100102657272_100010113649 [1,1,0,0,0,0|2,0,0]=4 2782 B15R2.1559 O=C(CF)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100015361967 [1,1,0,0,0,0|2,0,0]=4 2783 B15R2.1559 O=C(CF)C1CC1c2ccc(cc2)F 1458a_200015190327_100015361967 [1,1,0,0,0,0|2,0,0]=4 2784 B15R2.1559 O=C(CF)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100015361967 [1,1,0,0,0,0|2,0,0]=4 2785 B15R2.3809 CCC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000210202 [1,1,0,0,0,0|1,0,0]=3 2786 B15R2.3809 CNC(=O)C1CC1c2cccc(c2)Br 240690a_100102657272_100000747823 [1,1,0,0,0,0|2,0,0]=4 2787 B15R2.3809 CNC(=O)C1CC1c2cccc(c2)Cl 11a_106832991635_100000747819 [1,1,0,0,0,0|2,0,0]=4 2788 B15R2.3809 CNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 11a_106832991635_100015409224 [1,1,0,0,0,0|2,0,0]=4 2789 B15R2.3809 CNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 1626a_100102657272_100015409224 [1,1,0,0,0,0|2,0,0]=4 2790 B15R2.3809 CNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 527a_100102657272_100015409224 [1,1,0,0,0,0|2,0,0]=4 2791 B15R2.3809 O=C(CF)C1CC1c2cccc(c2)Br 1458a_100000747823_100015361967 [1,1,0,0,0,0|2,0,0]=4 2792 B15R2.4232 CC(C)C(=O)C1CC1c2cccnc2 1458a_100000746292_100000210206 [1,1,0,0,0,0|2,0,0]=4 2793 B15R2.4232 CC(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210206 [1,1,0,0,0,0|1,0,0]=3 2794 B15R2.4232 CN(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100102631434_100009815801 [1,1,0,0,0,0|2,0,0]=4 2795 B15R2.4232 CN(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102631434_100009815801 [1,1,0,0,0,0|2,0,0]=4 2796 B15R2.4232 CN(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102631434_100009815801 [1,1,0,0,0,0|2,0,0]=4 2797 B15R2.19074 CCC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000210202 [1,1,0,0,0,0|1,0,0]=3 2798 B15R2.19074 CCC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000210202 [1,1,0,0,0,0|1,0,0]=3 2799 B15R2.19074 CNC(=O)C1CC1c2ccccc2Br 240690a_100102657272_100000748278 [1,1,0,0,0,0|2,0,0]=4 2800 B15R2.19074 CNC(=O)C1CC1c2ccccc2Br 527a_100102657272_100000748278 [1,1,0,0,0,0|2,0,0]=4 2801 B15R2.19074 CNC(=O)C1CC1c2ccccc2Cl 11a_106832991635_100016119764 [1,1,0,0,0,0|2,0,0]=4 2802 B15R2.19074 CNC(=O)C1CC1c2ccccc2Cl 240690a_100102657272_100016119764 [1,1,0,0,0,0|2,0,0]=4 2803 B15R2.19074 CNC(=O)C1CC1c2ccccc2Cl 527a_100102657272_100016119764 [1,1,0,0,0,0|2,0,0]=4 2804 B15R2.19074 CNC(=O)C1CC1c2ccccc2F 11a_106832991635_100015190330 [1,1,0,0,0,0|2,0,0]=4 2805 B15R2.19074 CNC(=O)C1CC1c2ccccc2F 240690a_100102657272_100015190330 [1,1,0,0,0,0|2,0,0]=4 2806 B15R2.19074 CNC(=O)C1CC1c2ccccc2F 527a_100102657272_100015190330 [1,1,0,0,0,0|2,0,0]=4 2807 B15R2.19074 O=C(CF)C1CC1c2ccccc2Br 1458a_100000748278_100015361967 [1,1,0,0,0,0|2,0,0]=4 2808 B15R2.19074 O=C(CF)C1CC1c2ccccc2Cl 1458a_100016119764_100015361967 [1,1,0,0,0,0|2,0,0]=4 2809 B15R2.16994 CCOC(=O)C1CC1c2cc(cs2)C 271570a_100010780539_100009876951 [0,1,0,0,1,0|2,0,0]=4 2810 B15R2.16994 CCOC(=O)C1CC1c2ccc(s2)Br 271570a_100010780539_100010197418 [0,1,0,0,1,0|2,0,0]=4 2811 B15R2.16994 CCOC(=O)C1CC1c2ccc(s2)C 271570a_100010780539_100000761539 [0,1,0,0,1,0|2,0,0]=4 2812 B15R2.16994 CCOC(=O)C1CC1c2csc(c2)C 271570a_100010780539_100000759034 [0,1,0,0,1,0|2,0,0]=4 2813 B15R2.17185 CCOC(=O)C1CC1c2ccsc2C 271570a_100010780539_100000684487 [0,1,0,0,1,0|2,0,0]=4 2814 B15R2.17185 CCOC(=O)C1CC1c2cscc2Br 271570a_100010780539_100010143727 [0,1,0,0,1,0|2,0,0]=4 2815 B15R2.17185 CCOC(=O)C1CC1c2cscc2C 271570a_100010780539_100000759966 [0,1,0,0,1,0|2,0,0]=4 2816 B15R2.17185 CCOC(=O)C1CC1c2sccc2Br 271570a_100010780539_100012361411 [0,1,0,0,1,0|2,0,0]=4 2817 B15R2.17185 CCOC(=O)C1CC1c2sccc2C 271570a_100010780539_100000742657 [0,1,0,0,1,0|2,0,0]=4 2818 B17R2.2060 CCOCC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100000211967 [0,1,0,0,0,1|2,0,0]=4 2819 B17R2.2060 CCOCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100000211967 [0,1,0,0,0,1|2,0,0]=4 2820 B17R2.2060 CCOCC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100000211967 [0,1,0,0,0,1|2,0,0]=4 2821 B17R2.2060 CCOCC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100000211967 [0,1,0,0,0,1|2,0,0]=4 2822 B17R2.2099 CCCCC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000210211 [0,1,0,0,0,1|2,0,0]=4 2823 B17R2.2099 CCCNC(=O)C1CC(C1)c2ccccc2 11a_100020643023_100000746226 [0,1,0,0,0,1|2,0,0]=4 2824 B17R2.2099 CCCNC(=O)C1CC(C1)c2ccccc2 1626a_100020643023_100000746226 [0,1,0,0,0,1|2,0,0]=4 2825 B17R2.2099 CCCNC(=O)C1CC(C1)c2ccccc2 240690a_100020643023_100000746226 [0,1,0,0,0,1|2,0,0]=4 2826 B17R2.2099 CCCNC(=O)C1CC(C1)c2ccccc2 527a_100020643023_100000746226 [0,1,0,0,0,1|2,0,0]=4 2827 B17R2.2099 CCNNC(=O)C1CC(C1)c2ccccc2 22a_100000756455_100000746226 [0,1,0,0,0,1|2,0,0]=4 2828 B17R2.2099 COCCC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000233755 [0,1,0,0,0,1|2,0,0]=4 2829 B17R2.2099 CSCCC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000751147 [0,1,0,0,0,1|2,0,0]=4 2830 B17R2.2099 O=C(CCCF)C1CC(C1)c2ccccc2 1458a_100000746226_100011934791 [0,1,0,0,0,1|2,0,0]=4 2831 B17R2.2099 O=C(CCCO)C1CC(C1)c2ccccc2 1458a_100000746226_100011215043 [0,1,0,0,0,1|2,0,0]=4 2832 B17R2.2099 O=C(NCCF)C1CC(C1)c2ccccc2 11a_100000724931_100000746226 [0,1,0,0,0,1|2,0,0]=4 2833 B17R2.2099 O=C(NCCF)C1CC(C1)c2ccccc2 1626a_100000724931_100000746226 [0,1,0,0,0,1|2,0,0]=4 2834 B17R2.2099 O=C(NCCF)C1CC(C1)c2ccccc2 240690a_100000724931_100000746226 [0,1,0,0,0,1|2,0,0]=4 2835 B17R2.2099 O=C(NCCF)C1CC(C1)c2ccccc2 527a_100000724931_100000746226 [0,1,0,0,0,1|2,0,0]=4 2836 B17R2.2099 O=C(NCCO)C1CC(C1)c2ccccc2 240690a_100000210304_100000746226 [0,1,0,0,0,1|2,0,0]=4 2837 B17R2.2099 O=C(NCCO)C1CC(C1)c2ccccc2 527a_100000210304_100000746226 [0,1,0,0,0,1|2,0,0]=4 2838 B17R2.2233 CCC(C)C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000758301 [0,1,0,0,0,1|2,0,0]=4 2839 B17R2.2233 CCN(C)C(=O)C1CC(C1)c2ccccc2 11a_100000225621_100000746226 [0,1,0,0,0,1|2,0,0]=4 2840 B17R2.2233 CCN(C)C(=O)C1CC(C1)c2ccccc2 1626a_100000225621_100000746226 [0,1,0,0,0,1|2,0,0]=4 2841 B17R2.2233 CCN(C)C(=O)C1CC(C1)c2ccccc2 240690a_100000225621_100000746226 [0,1,0,0,0,1|2,0,0]=4 2842 B17R2.2233 CCN(C)C(=O)C1CC(C1)c2ccccc2 527a_100000225621_100000746226 [0,1,0,0,0,1|2,0,0]=4 2843 B17R2.18965 CC(C)CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000210624 [0,1,0,0,0,1|2,0,0]=4 2844 B17R2.18965 CC(C)NC(=O)C1CC(C1)c2ccccc2 11a_100138425928_100000746226 [0,1,0,0,0,1|2,0,0]=4 2845 B17R2.18965 CC(C)NC(=O)C1CC(C1)c2ccccc2 1626a_100138425928_100000746226 [0,1,0,0,0,1|2,0,0]=4 2846 B17R2.18965 CC(C)NC(=O)C1CC(C1)c2ccccc2 240690a_100138425928_100000746226 [0,1,0,0,0,1|2,0,0]=4 2847 B17R2.18965 CC(C)NC(=O)C1CC(C1)c2ccccc2 527a_100138425928_100000746226 [0,1,0,0,0,1|2,0,0]=4 2848 B17R2.18965 CC(O)CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100011218427 [0,1,0,0,0,1|2,0,0]=4 2849 B17R2.2103 CCOCC(=O)N1CCC1c2ccccc2 11a_100000739605_100000211967 [0,1,0,0,0,1|2,0,0]=4 2850 B17R2.2103 CCOCC(=O)N1CCC1c2ccccc2 1626a_100000739605_100000211967 [0,1,0,0,0,1|2,0,0]=4 2851 B17R2.2103 CCOCC(=O)N1CCC1c2ccccc2 240690a_100000739605_100000211967 [0,1,0,0,0,1|2,0,0]=4 2852 B17R2.2103 CCOCC(=O)N1CCC1c2ccccc2 527a_100000739605_100000211967 [0,1,0,0,0,1|2,0,0]=4 2853 B17R2.2127 CCC=CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000212282 [0,1,0,0,0,1|2,0,0]=4 2854 B17R2.2127 CCC=CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000212282 [0,1,0,0,0,1|2,0,0]=4 2855 B17R2.2127 CCC=CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000212282 [0,1,0,0,0,1|2,0,0]=4 2856 B17R2.2127 CCCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000210183 [0,1,0,0,0,1|2,0,0]=4 2857 B17R2.2127 CCCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000210183 [0,1,0,0,0,1|2,0,0]=4 2858 B17R2.2127 CCCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000210183 [0,1,0,0,0,1|2,0,0]=4 2859 B17R2.2127 CCCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000210183 [0,1,0,0,0,1|2,0,0]=4 2860 B17R2.2127 CCCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020588832_100020643023 [0,1,0,0,0,1|2,0,0]=4 2861 B17R2.2127 CCCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020643023_100020588832 [0,1,0,0,0,1|2,0,0]=4 2862 B17R2.2127 CCCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100020643023 [0,1,0,0,0,1|2,0,0]=4 2863 B17R2.2127 CCCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100020643023 [0,1,0,0,0,1|2,0,0]=4 2864 B17R2.2127 CCCNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100020643023_100020588832 [0,1,0,0,0,1|2,0,0]=4 2865 B17R2.2127 CCNNC(=O)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100000756455 [0,1,0,0,0,1|2,0,0]=4 2866 B17R2.2127 CCNNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100000756455_100020588832 [0,1,0,0,0,1|2,0,0]=4 2867 B17R2.2127 CCNNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100000756455 [0,1,0,0,0,1|2,0,0]=4 2868 B17R2.2127 CCOCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000211967 [0,1,0,0,0,1|1,0,0]=3 2869 B17R2.2127 CCOCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000211967 [0,1,0,0,0,1|1,0,0]=3 2870 B17R2.2127 CCOCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000211967 [0,1,0,0,0,1|1,0,0]=3 2871 B17R2.2127 CCOCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000211967 [0,1,0,0,0,1|1,0,0]=3 2872 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000230394 [0,1,0,0,0,1|1,1,0]=4 2873 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000230394 [0,1,0,0,0,1|1,1,0]=4 2874 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000230394 [0,1,0,0,0,1|1,1,0]=4 2875 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000230394 [0,1,0,0,0,1|1,1,0]=4 2876 B17R2.2127 COCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000749529 [0,1,0,0,0,1|2,0,0]=4 2877 B17R2.2127 COCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000749529 [0,1,0,0,0,1|2,0,0]=4 2878 B17R2.2127 COCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000749529 [0,1,0,0,0,1|2,0,0]=4 2879 B17R2.2127 COCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000749529 [0,1,0,0,0,1|2,0,0]=4 2880 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000174002 [0,1,0,0,0,1|2,0,0]=4 2881 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000174002 [0,1,0,0,0,1|2,0,0]=4 2882 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000174002 [0,1,0,0,0,1|2,0,0]=4 2883 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000174002 [0,1,0,0,0,1|2,0,0]=4 2884 B17R2.2127 O=C(NCCF)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020588832_100000724931 [0,1,0,0,0,1|2,0,0]=4 2885 B17R2.2127 O=C(NCCF)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100000724931 [0,1,0,0,0,1|2,0,0]=4 2886 B17R2.2127 O=C(NCCF)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100000724931 [0,1,0,0,0,1|2,0,0]=4 2887 B17R2.2127 O=C(NCCO)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020588832_100000210304 [0,1,0,0,0,1|2,0,0]=4 2888 B17R2.2127 O=C(NCCO)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100000210304 [0,1,0,0,0,1|2,0,0]=4 2889 B17R2.2127 O=C(NCCO)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100000210304 [0,1,0,0,0,1|2,0,0]=4 2890 B17R2.2258 CCC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100011192722 [0,1,0,0,0,1|2,0,0]=4 2891 B17R2.2258 CCC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100011192722 [0,1,0,0,0,1|2,0,0]=4 2892 B17R2.2258 CCC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100011192722 [0,1,0,0,0,1|2,0,0]=4 2893 B17R2.2258 CCC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100011192722 [0,1,0,0,0,1|2,0,0]=4 2894 B17R2.2258 CCC(O)C(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100011196387 [0,1,0,0,0,1|2,0,0]=4 2895 B17R2.2258 CCN(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020588832_100000225621 [0,1,0,0,0,1|2,0,0]=4 2896 B17R2.2258 CCN(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100000225621 [0,1,0,0,0,1|2,0,0]=4 2897 B17R2.6256 CCCC(=O)NC1CC1c2ccc(cc2)Br 11a_100000755575_100000211992 [0,1,0,0,0,1|2,0,0]=4 2898 B17R2.6256 CCCC(=O)NC1CC1c2ccc(cc2)Br 1626a_100000755575_100000211992 [0,1,0,0,0,1|2,0,0]=4 2899 B17R2.6256 CCCC(=O)NC1CC1c2ccc(cc2)Br 240690a_100000755575_100000211992 [0,1,0,0,0,1|2,0,0]=4 2900 B17R2.6256 CCCC(=O)N[C@@H]1C[C@H]1c2ccc(cc2)F 1626a_100025713227_100000211992 [0,1,0,0,0,1|2,0,0]=4 2901 B17R2.6256 CCCC(=O)N[C@@H]1C[C@H]1c2ccc(cc2)F 240690a_100025713227_100000211992 [0,1,0,0,0,1|2,0,0]=4 2902 B17R2.6256 CCNC(=O)NC1CC1c2ccc(cc2)Br 2708a_100000755575_100015525214 [0,1,0,0,0,1|2,0,0]=4 2903 B17R2.6256 CCNC(=O)NC1CC1c2ccc(cc2)Br 2708a_100015525214_100000755575 [0,1,0,0,0,1|2,0,0]=4 2904 B17R2.18976 CC(C)CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000210554 [0,1,0,0,0,1|2,0,0]=4 2905 B17R2.18976 CC(C)CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000210554 [0,1,0,0,0,1|2,0,0]=4 2906 B17R2.18976 CC(C)CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000210554 [0,1,0,0,0,1|2,0,0]=4 2907 B17R2.18976 CC(C)CC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000210554 [0,1,0,0,0,1|2,0,0]=4 2908 B17R2.18976 CC(C)NC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020588832_100138425928 [0,1,0,0,0,1|2,0,0]=4 2909 B17R2.18976 CC(C)NC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100138425928_100020588832 [0,1,0,0,0,1|2,0,0]=4 2910 B17R2.18976 CC(C)NC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100138425928 [0,1,0,0,0,1|2,0,0]=4 2911 B17R2.18976 CC(C)NC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100138425928_100020588832 [0,1,0,0,0,1|2,0,0]=4 2912 B17R2.18976 C[C@@H](O)CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100011933948 [0,1,0,0,0,1|2,0,0]=4 2913 B17R2.49501 CCCC(=O)NC1CC1c2ccccc2F 1626a_100000753450_100000211992 [0,1,0,0,0,1|2,0,0]=4 2914 B17R2.49501 CCCC(=O)NC1CC1c2ccccc2F 240690a_100000753450_100000211992 [0,1,0,0,0,1|2,0,0]=4 2915 B17R2.49501 CCCC(=O)NC1CC1c2ccccc2F 527a_100000753450_100000211992 [0,1,0,0,0,1|2,0,0]=4 2916 B17R2.49501 CCNC(=O)NC1CC1c2ccccc2F 2708a_100000753450_100015525214 [0,1,0,0,0,1|2,0,0]=4 2917 B17R2.49501 CCNC(=O)NC1CC1c2ccccc2F 2708a_100015525214_100000753450 [0,1,0,0,0,1|2,0,0]=4 2918 B17R2.49501 CCNC(=O)NC1CC1c2ccccc2F 273464a_100000753450_100015525214 [0,1,0,0,0,1|2,0,0]=4 2919 B17R2.49501 CCNC(=O)NC1CC1c2ccccc2F 512a_100000753450_100015525214 [0,1,0,0,0,1|2,0,0]=4 2920 B17R2.49501 CCNC(=O)NC1CC1c2ccccc2F 512a_100015525214_100000753450 [0,1,0,0,0,1|2,0,0]=4 2921 B17R2.2058 CCCCC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000210211 [0,2,0,0,0,0|2,0,0]=4 2922 B17R2.2058 CCCCC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000210211 [0,2,0,0,0,0|2,0,0]=4 2923 B17R2.2058 CCCCC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000210211 [0,2,0,0,0,0|2,0,0]=4 2924 B17R2.2058 CCCNC(=O)C1CC1c2ccc(cc2)Cl 11a_100020643023_100000235803 [0,2,0,0,0,0|2,0,0]=4 2925 B17R2.2058 CCCNC(=O)C1CC1c2ccc(cc2)Cl 527a_100020643023_100000235803 [0,2,0,0,0,0|2,0,0]=4 2926 B17R2.2058 CCCNC(=O)C1CC1c2ccc(cc2)F 11a_100020643023_200015190327 [0,2,0,0,0,0|2,0,0]=4 2927 B17R2.2058 CCCNC(=O)C1CC1c2ccc(cc2)F 240690a_100020643023_200015190327 [0,2,0,0,0,0|2,0,0]=4 2928 B17R2.2058 CCCNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 11a_100020643023_100010113649 [0,2,0,0,0,0|2,0,0]=4 2929 B17R2.2058 CCCNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1626a_100020643023_100010113649 [0,2,0,0,0,0|2,0,0]=4 2930 B17R2.2058 CCNNC(=O)C1CC1c2ccc(cc2)Cl 22a_100000756455_100000235803 [0,2,0,0,0,0|2,0,0]=4 2931 B17R2.2058 CCNNC(=O)C1CC1c2ccc(cc2)F 22a_100000756455_200015190327 [0,2,0,0,0,0|2,0,0]=4 2932 B17R2.2058 CCNNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 22a_100000756455_100010113649 [0,2,0,0,0,0|2,0,0]=4 2933 B17R2.2058 COCCC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000233755 [0,2,0,0,0,0|2,0,0]=4 2934 B17R2.2058 COCCC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000233755 [0,2,0,0,0,0|2,0,0]=4 2935 B17R2.2058 COCCC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000233755 [0,2,0,0,0,0|2,0,0]=4 2936 B17R2.2058 CSCCC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000751147 [0,2,0,0,0,0|2,0,0]=4 2937 B17R2.2058 CSCCC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000751147 [0,2,0,0,0,0|2,0,0]=4 2938 B17R2.2058 CSCCC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000751147 [0,2,0,0,0,0|2,0,0]=4 2939 B17R2.2058 O=C(CCCF)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100011934791 [0,2,0,0,0,0|2,0,0]=4 2940 B17R2.2058 O=C(CCCF)C1CC1c2ccc(cc2)F 1458a_200015190327_100011934791 [0,2,0,0,0,0|2,0,0]=4 2941 B17R2.2058 O=C(CCCF)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100011934791 [0,2,0,0,0,0|2,0,0]=4 2942 B17R2.2058 O=C(CCCO)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100011215043 [0,2,0,0,0,0|2,0,0]=4 2943 B17R2.2058 O=C(CCCO)C1CC1c2ccc(cc2)F 1458a_200015190327_100011215043 [0,2,0,0,0,0|2,0,0]=4 2944 B17R2.2058 O=C(CCCO)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100011215043 [0,2,0,0,0,0|2,0,0]=4 2945 B17R2.2058 O=C(NCCF)C1CC1c2ccc(cc2)Cl 11a_100000724931_100000235803 [0,2,0,0,0,0|2,0,0]=4 2946 B17R2.2058 O=C(NCCF)C1CC1c2ccc(cc2)Cl 527a_100000724931_100000235803 [0,2,0,0,0,0|2,0,0]=4 2947 B17R2.2058 O=C(NCCF)C1CC1c2ccc(cc2)F 11a_100000724931_200015190327 [0,2,0,0,0,0|2,0,0]=4 2948 B17R2.2058 O=C(NCCF)C1CC1c2ccc(cc2)F 240690a_100000724931_200015190327 [0,2,0,0,0,0|2,0,0]=4 2949 B17R2.2058 O=C(NCCF)[C@@H]1C[C@H]1c2ccc(cc2)Br 11a_100000724931_100010113649 [0,2,0,0,0,0|2,0,0]=4 2950 B17R2.2058 O=C(NCCF)[C@@H]1C[C@H]1c2ccc(cc2)Br 1626a_100000724931_100010113649 [0,2,0,0,0,0|2,0,0]=4 2951 B17R2.2058 O=C(NCCO)C1CC1c2ccc(cc2)Cl 527a_100000210304_100000235803 [0,2,0,0,0,0|2,0,0]=4 2952 B17R2.2058 O=C(NCCO)C1CC1c2ccc(cc2)F 240690a_100000210304_200015190327 [0,2,0,0,0,0|2,0,0]=4 2953 B17R2.2195 CCC(C)C(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000758301 [0,2,0,0,0,0|2,0,0]=4 2954 B17R2.2195 CCC(C)C(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000758301 [0,2,0,0,0,0|2,0,0]=4 2955 B17R2.2195 CCC(C)C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000758301 [0,2,0,0,0,0|2,0,0]=4 2956 B17R2.2195 CCN(C)C(=O)C1CC1c2ccc(cc2)Cl 11a_100000225621_100000235803 [0,2,0,0,0,0|2,0,0]=4 2957 B17R2.2195 CCN(C)C(=O)C1CC1c2ccc(cc2)Cl 527a_100000225621_100000235803 [0,2,0,0,0,0|2,0,0]=4 2958 B17R2.2195 CCN(C)C(=O)C1CC1c2ccc(cc2)F 11a_100000225621_200015190327 [0,2,0,0,0,0|2,0,0]=4 2959 B17R2.2195 CCN(C)C(=O)C1CC1c2ccc(cc2)F 240690a_100000225621_200015190327 [0,2,0,0,0,0|2,0,0]=4 2960 B17R2.2195 CCN(C)C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 11a_100000225621_100010113649 [0,2,0,0,0,0|2,0,0]=4 2961 B17R2.2195 CCN(C)C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1626a_100000225621_100010113649 [0,2,0,0,0,0|2,0,0]=4 2962 B17R2.18876 CC(C)CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000210624 [0,2,0,0,0,0|2,0,0]=4 2963 B17R2.18876 CC(C)CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000210624 [0,2,0,0,0,0|2,0,0]=4 2964 B17R2.18876 CC(C)CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000210624 [0,2,0,0,0,0|2,0,0]=4 2965 B17R2.18876 CC(C)NC(=O)C1CC1c2ccc(cc2)Cl 11a_100138425928_100000235803 [0,2,0,0,0,0|2,0,0]=4 2966 B17R2.18876 CC(C)NC(=O)C1CC1c2ccc(cc2)Cl 527a_100138425928_100000235803 [0,2,0,0,0,0|2,0,0]=4 2967 B17R2.18876 CC(C)NC(=O)C1CC1c2ccc(cc2)F 11a_100138425928_200015190327 [0,2,0,0,0,0|2,0,0]=4 2968 B17R2.18876 CC(C)NC(=O)C1CC1c2ccc(cc2)F 240690a_100138425928_200015190327 [0,2,0,0,0,0|2,0,0]=4 2969 B17R2.18876 CC(C)NC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 11a_100138425928_100010113649 [0,2,0,0,0,0|2,0,0]=4 2970 B17R2.18876 CC(C)NC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1626a_100138425928_100010113649 [0,2,0,0,0,0|2,0,0]=4 2971 B17R2.18876 CC(O)CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100011218427 [0,2,0,0,0,0|2,0,0]=4 2972 B17R2.18876 CC(O)CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100011218427 [0,2,0,0,0,0|2,0,0]=4 2973 B17R2.18876 CC(O)CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100011218427 [0,2,0,0,0,0|2,0,0]=4 2974 B17R2.49365 C=Cc1ccc(cn1)[C@@H]2C[C@H]2C(=O)OCC 271570a_100011290941_100020587616 [0,2,0,0,0,0|2,0,0]=4 2975 B17R2.49365 CCCC(=O)[C@@H]1C[C@H]1c2ccc(cc2)C#N 1458a_200034559048_100000210303 [0,2,0,0,0,0|2,0,0]=4 2976 B17R2.49365 CCNC(=O)C1CC1c2ccc(cc2)OC 11a_100015525214_100000749488 [0,2,0,0,0,0|2,0,0]=4 2977 B17R2.49365 CCNC(=O)C1CC1c2ccc(cc2)OC 240690a_100015525214_100000749488 [0,2,0,0,0,0|2,0,0]=4 2978 B17R2.49365 CCNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)C#N 11a_100015525214_200034559048 [0,2,0,0,0,0|2,0,0]=4 2979 B17R2.49365 CCNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)C#N 240690a_100015525214_200034559048 [0,2,0,0,0,0|2,0,0]=4 2980 B17R2.49365 CCNC(=O)[C@@H]1C[C@H]1c2ccc(cc2)C#N 527a_100015525214_200034559048 [0,2,0,0,0,0|2,0,0]=4 2981 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)C#N 271570a_100010780539_100000179745 [0,2,0,0,0,0|1,0,0]=3 2982 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)C=O 271570a_100010780539_100000186029 [0,2,0,0,0,0|1,0,0]=3 2983 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)CC 271570a_100010780539_100011215824 [0,2,0,0,0,0|1,0,0]=3 2984 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)CF 271570a_100010780539_100010268989 [0,2,0,0,0,0|1,0,0]=3 2985 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)CN 271570a_100010780539_100016989417 [0,2,0,0,0,0|1,0,0]=3 2986 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)CO 271570a_100010780539_100000690907 [0,2,0,0,0,0|1,0,0]=3 2987 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)NC 271570a_100010780539_100000219623 [0,2,0,0,0,0|1,0,0]=3 2988 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)NN 271570a_100010780539_100016988836 [0,2,0,0,0,0|1,0,0]=3 2989 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)OC 271570a_100010780539_100000171711 [0,2,0,0,0,0|1,0,0]=3 2990 B17R2.49365 CCOC(=O)C1CC1c2ccc(cc2)SC 271570a_100010780539_100011263217 [0,2,0,0,0,0|1,0,0]=3 2991 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)C#N 271570a_100010780539_100000241038 [0,2,0,0,0,0|2,0,0]=4 2992 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)C=O 271570a_100010780539_100000766901 [0,2,0,0,0,0|2,0,0]=4 2993 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)CC 271570a_100010780539_100009843584 [0,2,0,0,0,0|2,0,0]=4 2994 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)CN 271570a_100010780539_100009817727 [0,2,0,0,0,0|2,0,0]=4 2995 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)CO 271570a_100010780539_100009816760 [0,2,0,0,0,0|2,0,0]=4 2996 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)NC 271570a_100010780539_100000764248 [0,2,0,0,0,0|2,0,0]=4 2997 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)NN 271570a_100010780539_100000119030 [0,2,0,0,0,0|2,0,0]=4 2998 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)OC 271570a_100010780539_100000755202 [0,2,0,0,0,0|2,0,0]=4 2999 B17R2.49365 CCOC(=O)C1CC1c2ccc(cn2)SC 271570a_100010780539_100009820866 [0,2,0,0,0,0|2,0,0]=4 3000 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)C#N 271570a_100010780539_100000760455 [0,2,0,0,0,0|2,0,0]=4 3001 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)C=O 271570a_100010780539_100000754260 [0,2,0,0,0,0|2,0,0]=4 3002 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)CC 271570a_100010780539_100009820025 [0,2,0,0,0,0|2,0,0]=4 3003 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)CN 271570a_100010780539_100015188789 [0,2,0,0,0,0|2,0,0]=4 3004 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)CO 271570a_100010780539_100000754261 [0,2,0,0,0,0|2,0,0]=4 3005 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)NC 271570a_100010780539_100000741341 [0,2,0,0,0,0|2,0,0]=4 3006 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)NN 271570a_100010780539_100000750576 [0,2,0,0,0,0|2,0,0]=4 3007 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)OC 271570a_100010780539_100000047065 [0,2,0,0,0,0|2,0,0]=4 3008 B17R2.49365 CCOC(=O)C1CC1c2ccc(nc2)SC 271570a_100010780539_100011408404 [0,2,0,0,0,0|2,0,0]=4 3009 B17R2.49365 CCOC(=O)[C@@H]1C[C@H]1c2ccc(nc2)SC 62a_100020587616_200000210301 [0,2,0,0,0,0|2,0,0]=4 3010 B17R2.49365 CCOC(=O)[C@@H]1C[C@H]1c2ccc(nc2)SC 62a_200000210301_100020587616 [0,2,0,0,0,0|2,0,0]=4 3011 B17R2.49365 CCOC(=O)[C@@H]1C[C@H]1c2ccc(nc2)S[13CH3] 62a_100020587616_200025704644 [0,2,0,0,0,0|2,0,0]=4 3012 B17R2.49365 CCOC(=O)[C@@H]1C[C@H]1c2ccc(nc2)S[13CH3] 62a_200025704644_100020587616 [0,2,0,0,0,0|2,0,0]=4 3013 B17R2.311416 CCNC(=O)C1CC1c2ccc(cc2Cl)Cl 11a_100015525214_200000753209 [0,2,0,0,0,0|2,0,0]=4 3014 B17R2.311416 CCNC(=O)C1CC1c2ccc(cc2Cl)Cl 240690a_100015525214_200000753209 [0,2,0,0,0,0|2,0,0]=4 3015 B17R2.311416 CCNC(=O)C1CC1c2ccc(cc2Cl)Cl 527a_100015525214_200000753209 [0,2,0,0,0,0|2,0,0]=4 3016 B17R2.311416 CCOC(=O)C1CC1c2c[nH]c(=O)cc2F 271570a_100010780539_100015631685 [0,2,0,0,0,0|2,0,0]=4 3017 B17R2.311416 CCOC(=O)C1CC1c2cc[n+](cc2C)[O-] 271570a_100010780539_100000074940 [0,2,0,0,0,0|2,0,0]=4 3018 B17R2.311416 CCOC(=O)C1CC1c2ccc(=O)[nH]c2N 271570a_100010780539_100009884077 [0,2,0,0,0,0|2,0,0]=4 3019 B17R2.311416 CCOC(=O)C1CC1c2ccc(c[n+]2[O-])C 271570a_100010780539_100009819918 [0,2,0,0,0,0|2,0,0]=4 3020 B17R2.311416 CCOC(=O)C1CC1c2ccc(c[n+]2[O-])F 271570a_100010780539_100009817261 [0,2,0,0,0,0|2,0,0]=4 3021 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Br)Br 271570a_100010780539_100011484698 [0,2,0,0,0,0|1,0,0]=3 3022 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Br)C 271570a_100010780539_100009813563 [0,2,0,0,0,0|1,0,0]=3 3023 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Br)Cl 271570a_100010780539_100011219703 [0,2,0,0,0,0|1,0,0]=3 3024 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Br)F 271570a_100010780539_100011217111 [0,2,0,0,0,0|1,0,0]=3 3025 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Br)N 271570a_100010780539_100000750458 [0,2,0,0,0,0|1,0,0]=3 3026 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Br)O 271570a_100010780539_100000701344 [0,2,0,0,0,0|1,0,0]=3 3027 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2C)Br 271570a_100010780539_100000701812 [0,2,0,0,0,0|1,0,0]=3 3028 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2C)C 271570a_100010780539_100011217332 [0,2,0,0,0,0|1,0,0]=3 3029 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2C)Cl 271570a_100010780539_100011219607 [0,2,0,0,0,0|1,0,0]=3 3030 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2C)F 271570a_100010780539_100011205405 [0,2,0,0,0,0|1,0,0]=3 3031 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2C)N 271570a_100010780539_100000210723 [0,2,0,0,0,0|1,0,0]=3 3032 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2C)O 271570a_100010780539_100000729255 [0,2,0,0,0,0|1,0,0]=3 3033 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Cl)Br 271570a_100010780539_100011216062 [0,2,0,0,0,0|1,0,0]=3 3034 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Cl)C 271570a_100010780539_100011263221 [0,2,0,0,0,0|1,0,0]=3 3035 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Cl)Cl 271570a_100010780539_100000699841 [0,2,0,0,0,0|1,0,0]=3 3036 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Cl)F 271570a_100010780539_100000733362 [0,2,0,0,0,0|1,0,0]=3 3037 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Cl)N 271570a_100010780539_100000761885 [0,2,0,0,0,0|1,0,0]=3 3038 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2Cl)O 271570a_100010780539_100000047559 [0,2,0,0,0,0|1,0,0]=3 3039 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2F)Br 271570a_100010780539_100009814013 [0,2,0,0,0,0|1,0,0]=3 3040 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2F)C 271570a_100010780539_100011216119 [0,2,0,0,0,0|1,0,0]=3 3041 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2F)Cl 271570a_100010780539_100011216042 [0,2,0,0,0,0|1,0,0]=3 3042 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2F)F 271570a_100010780539_100000750030 [0,2,0,0,0,0|1,0,0]=3 3043 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2F)N 271570a_100010780539_100011356925 [0,2,0,0,0,0|1,0,0]=3 3044 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2F)O 271570a_100010780539_100000755031 [0,2,0,0,0,0|1,0,0]=3 3045 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2N)Br 271570a_100010780539_100000743836 [0,2,0,0,0,0|1,0,0]=3 3046 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2N)C 271570a_100010780539_100011216686 [0,2,0,0,0,0|1,0,0]=3 3047 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2N)Cl 271570a_100010780539_100000761886 [0,2,0,0,0,0|1,0,0]=3 3048 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2N)F 271570a_100010780539_100011218093 [0,2,0,0,0,0|1,0,0]=3 3049 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2N)N 271570a_100010780539_200012175722 [0,2,0,0,0,0|1,0,0]=3 3050 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2N)O 271570a_100010780539_100011999798 [0,2,0,0,0,0|1,0,0]=3 3051 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2O)Br 271570a_100010780539_100012344904 [0,2,0,0,0,0|1,0,0]=3 3052 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2O)C 271570a_100010780539_100012002257 [0,2,0,0,0,0|1,0,0]=3 3053 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2O)Cl 271570a_100010780539_100000050036 [0,2,0,0,0,0|1,0,0]=3 3054 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2O)F 271570a_100010780539_100000690578 [0,2,0,0,0,0|1,0,0]=3 3055 B17R2.311416 CCOC(=O)C1CC1c2ccc(cc2O)O 271570a_100010780539_100009813921 [0,2,0,0,0,0|1,0,0]=3 3056 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2Br)N 271570a_100010780539_100010734177 [0,2,0,0,0,0|2,0,0]=4 3057 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2C)C 271570a_100010780539_100009813853 [0,2,0,0,0,0|2,0,0]=4 3058 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2C)Cl 271570a_100010780539_100000062408 [0,2,0,0,0,0|2,0,0]=4 3059 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2C)F 271570a_100010780539_100000688911 [0,2,0,0,0,0|2,0,0]=4 3060 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2C)N 271570a_100010780539_100000013003 [0,2,0,0,0,0|2,0,0]=4 3061 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2C)O 271570a_100010780539_100000691680 [0,2,0,0,0,0|2,0,0]=4 3062 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2Cl)Br 271570a_100010780539_100010246183 [0,2,0,0,0,0|2,0,0]=4 3063 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2Cl)N 271570a_100010780539_100010270343 [0,2,0,0,0,0|2,0,0]=4 3064 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2F)C 271570a_100010780539_100010006597 [0,2,0,0,0,0|2,0,0]=4 3065 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2F)Cl 271570a_100010780539_100010168078 [0,2,0,0,0,0|2,0,0]=4 3066 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2F)F 271570a_100010780539_100000070099 [0,2,0,0,0,0|2,0,0]=4 3067 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2F)N 271570a_100010780539_100009882772 [0,2,0,0,0,0|2,0,0]=4 3068 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2F)O 271570a_100010780539_100009879308 [0,2,0,0,0,0|2,0,0]=4 3069 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2N)C 271570a_100010780539_100009816662 [0,2,0,0,0,0|2,0,0]=4 3070 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2N)Cl 271570a_100010780539_100010171640 [0,2,0,0,0,0|2,0,0]=4 3071 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2N)F 271570a_100010780539_100009854977 [0,2,0,0,0,0|2,0,0]=4 3072 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2N)N 271570a_100010780539_100011356871 [0,2,0,0,0,0|2,0,0]=4 3073 B17R2.311416 CCOC(=O)C1CC1c2ccc(nc2O)C 271570a_100010780539_100009817604 [0,2,0,0,0,0|2,0,0]=4 3074 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2Br)F 271570a_100010780539_100015451857 [0,2,0,0,0,0|2,0,0]=4 3075 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2Br)N 271570a_100010780539_100010074611 [0,2,0,0,0,0|2,0,0]=4 3076 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2C)Br 271570a_100010780539_100009816104 [0,2,0,0,0,0|2,0,0]=4 3077 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2C)C 271570a_100010780539_100009819613 [0,2,0,0,0,0|2,0,0]=4 3078 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2C)Cl 271570a_100010780539_100010172789 [0,2,0,0,0,0|2,0,0]=4 3079 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2C)F 271570a_100010780539_100009820716 [0,2,0,0,0,0|2,0,0]=4 3080 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2C)N 271570a_100010780539_100000050067 [0,2,0,0,0,0|2,0,0]=4 3081 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2C)O 271570a_100010780539_100010114363 [0,2,0,0,0,0|2,0,0]=4 3082 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2Cl)Br 271570a_100010780539_100010381092 [0,2,0,0,0,0|2,0,0]=4 3083 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2Cl)Cl 271570a_100010780539_100010200927 [0,2,0,0,0,0|2,0,0]=4 3084 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2Cl)N 271570a_100010780539_100000694920 [0,2,0,0,0,0|2,0,0]=4 3085 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2F)Cl 271570a_100010780539_100010128100 [0,2,0,0,0,0|2,0,0]=4 3086 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2F)N 271570a_100010780539_100009844730 [0,2,0,0,0,0|2,0,0]=4 3087 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2N)C 271570a_100010780539_100009817891 [0,2,0,0,0,0|2,0,0]=4 3088 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2N)N 271570a_100010780539_200009857908 [0,2,0,0,0,0|2,0,0]=4 3089 B17R2.311416 CCOC(=O)C1CC1c2cnc(cc2O)C 271570a_100010780539_100011016184 [0,2,0,0,0,0|2,0,0]=4 3090 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2Br)Cl 271570a_100010780539_100012154958 [0,2,0,0,0,0|2,0,0]=4 3091 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2C)Br 271570a_100010780539_100012353652 [0,2,0,0,0,0|2,0,0]=4 3092 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2C)C 271570a_100010780539_100009864548 [0,2,0,0,0,0|2,0,0]=4 3093 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2C)F 271570a_100010780539_100009817009 [0,2,0,0,0,0|2,0,0]=4 3094 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2C)N 271570a_100010780539_100000761747 [0,2,0,0,0,0|2,0,0]=4 3095 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2C)O 271570a_100010780539_100012000486 [0,2,0,0,0,0|2,0,0]=4 3096 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2F)Br 271570a_100010780539_100012348576 [0,2,0,0,0,0|2,0,0]=4 3097 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2F)C 271570a_100010780539_100009819633 [0,2,0,0,0,0|2,0,0]=4 3098 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2F)Cl 271570a_100010780539_100012348686 [0,2,0,0,0,0|2,0,0]=4 3099 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2F)F 271570a_100010780539_100011219543 [0,2,0,0,0,0|2,0,0]=4 3100 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2F)N 271570a_100010780539_100010280766 [0,2,0,0,0,0|2,0,0]=4 3101 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2F)O 271570a_100010780539_100000063512 [0,2,0,0,0,0|2,0,0]=4 3102 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2N)Br 271570a_100010780539_100010090555 [0,2,0,0,0,0|2,0,0]=4 3103 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2N)C 271570a_100010780539_100000733613 [0,2,0,0,0,0|2,0,0]=4 3104 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2N)F 271570a_100010780539_100009817643 [0,2,0,0,0,0|2,0,0]=4 3105 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2N)N 271570a_100010780539_200000093520 [0,2,0,0,0,0|2,0,0]=4 3106 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2O)Br 271570a_100010780539_100010210634 [0,2,0,0,0,0|2,0,0]=4 3107 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2O)C 271570a_100010780539_100012000487 [0,2,0,0,0,0|2,0,0]=4 3108 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2O)Cl 271570a_100010780539_100010233512 [0,2,0,0,0,0|2,0,0]=4 3109 B17R2.311416 CCOC(=O)C1CC1c2ncc(cc2O)F 271570a_100010780539_100000079967 [0,2,0,0,0,0|2,0,0]=4 3110 B17R2.311425 CCCC(=O)[C@@H]1C[C@H]1c2ccc(c(c2)Cl)Cl 1458a_100015345389_100000210303 [0,2,0,0,0,0|2,0,0]=4 3111 B17R2.311425 CCNC(=O)[C@@H]1C[C@H]1c2ccc(c(c2)Cl)Cl 11a_100015525214_100015345389 [0,2,0,0,0,0|2,0,0]=4 3112 B17R2.311425 CCNC(=O)[C@@H]1C[C@H]1c2ccc(c(c2)Cl)Cl 240690a_100015525214_100015345389 [0,2,0,0,0,0|2,0,0]=4 3113 B17R2.311425 CCNC(=O)[C@@H]1C[C@H]1c2ccc(c(c2)F)F 11a_100015525214_100009909640 [0,2,0,0,0,0|2,0,0]=4 3114 B17R2.311425 CCNC(=O)[C@@H]1C[C@H]1c2ccc(c(c2)F)F 240690a_100015525214_100009909640 [0,2,0,0,0,0|2,0,0]=4 3115 B17R2.311425 CCOC(=O)C1CC1c2c[nH]c(=O)c(c2)Br 271570a_100010780539_100010125443 [0,2,0,0,0,0|2,0,0]=4 3116 B17R2.311425 CCOC(=O)C1CC1c2c[nH]c(=O)c(c2)F 271570a_100010780539_100000723523 [0,2,0,0,0,0|2,0,0]=4 3117 B17R2.311425 CCOC(=O)C1CC1c2c[nH]c(=O)c(c2)O 271570a_100010780539_100009814561 [0,2,0,0,0,0|2,0,0]=4 3118 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)Br)C 271570a_100010780539_100012356354 [0,2,0,0,0,0|2,0,0]=4 3119 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)C)C 271570a_100010780539_100009850809 [0,2,0,0,0,0|2,0,0]=4 3120 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)C)F 271570a_100010780539_100009841206 [0,2,0,0,0,0|2,0,0]=4 3121 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)C)N 271570a_100010780539_100000690170 [0,2,0,0,0,0|2,0,0]=4 3122 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)C)O 271570a_100010780539_100000704368 [0,2,0,0,0,0|2,0,0]=4 3123 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)F)C 271570a_100010780539_100009818257 [0,2,0,0,0,0|2,0,0]=4 3124 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)F)N 271570a_100010780539_100000126464 [0,2,0,0,0,0|2,0,0]=4 3125 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)F)O 271570a_100010780539_100009854642 [0,2,0,0,0,0|2,0,0]=4 3126 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)N)C 271570a_100010780539_100000765520 [0,2,0,0,0,0|2,0,0]=4 3127 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)N)N 271570a_100010780539_100000067514 [0,2,0,0,0,0|2,0,0]=4 3128 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)O)C 271570a_100010780539_100000692680 [0,2,0,0,0,0|2,0,0]=4 3129 B17R2.311425 CCOC(=O)C1CC1c2cc(c(cn2)O)N 271570a_100010780539_100009819941 [0,2,0,0,0,0|2,0,0]=4 3130 B17R2.311425 CCOC(=O)C1CC1c2ccc(=O)n(c2)C 271570a_100010780539_100011245003 [0,2,0,0,0,0|2,0,0]=4 3131 B17R2.311425 CCOC(=O)C1CC1c2ccc([n+](c2)[O-])C 271570a_100010780539_100000703231 [0,2,0,0,0,0|2,0,0]=4 3132 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(=S)[nH]2)N 271570a_100010780539_100116329207 [0,2,0,0,0,0|2,0,0]=4 3133 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Br)Br 271570a_100010780539_100012356285 [0,2,0,0,0,0|1,0,0]=3 3134 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Br)C 271570a_100010780539_100011847877 [0,2,0,0,0,0|1,0,0]=3 3135 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Br)Cl 271570a_100010780539_100012353702 [0,2,0,0,0,0|1,0,0]=3 3136 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Br)F 271570a_100010780539_100012047266 [0,2,0,0,0,0|1,0,0]=3 3137 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Br)N 271570a_100010780539_100000750455 [0,2,0,0,0,0|1,0,0]=3 3138 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Br)O 271570a_100010780539_100012361655 [0,2,0,0,0,0|1,0,0]=3 3139 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)C)Br 271570a_100010780539_100009813585 [0,2,0,0,0,0|1,0,0]=3 3140 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)C)C 271570a_100010780539_100011215607 [0,2,0,0,0,0|1,0,0]=3 3141 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)C)Cl 271570a_100010780539_100000049509 [0,2,0,0,0,0|1,0,0]=3 3142 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)C)F 271570a_100010780539_100011218330 [0,2,0,0,0,0|1,0,0]=3 3143 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)C)N 271570a_100010780539_100000211769 [0,2,0,0,0,0|1,0,0]=3 3144 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)C)O 271570a_100010780539_100000186361 [0,2,0,0,0,0|1,0,0]=3 3145 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Cl)Br 271570a_100010780539_100012047281 [0,2,0,0,0,0|1,0,0]=3 3146 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Cl)C 271570a_100010780539_100011216363 [0,2,0,0,0,0|1,0,0]=3 3147 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Cl)Cl 271570a_100010780539_100011214914 [0,2,0,0,0,0|1,0,0]=3 3148 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Cl)F 271570a_100010780539_100011215976 [0,2,0,0,0,0|1,0,0]=3 3149 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Cl)N 271570a_100010780539_100011218065 [0,2,0,0,0,0|1,0,0]=3 3150 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)Cl)O 271570a_100010780539_100012360047 [0,2,0,0,0,0|1,0,0]=3 3151 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)F)Br 271570a_100010780539_100000685389 [0,2,0,0,0,0|1,0,0]=3 3152 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)F)C 271570a_100010780539_100000720648 [0,2,0,0,0,0|1,0,0]=3 3153 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)F)Cl 271570a_100010780539_100011216805 [0,2,0,0,0,0|1,0,0]=3 3154 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)F)F 271570a_100010780539_100000750028 [0,2,0,0,0,0|1,0,0]=3 3155 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)F)N 271570a_100010780539_100011215594 [0,2,0,0,0,0|1,0,0]=3 3156 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)F)O 271570a_100010780539_100000185481 [0,2,0,0,0,0|1,0,0]=3 3157 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)N)Br 271570a_100010780539_100000750456 [0,2,0,0,0,0|1,0,0]=3 3158 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)N)C 271570a_100010780539_100000761890 [0,2,0,0,0,0|1,0,0]=3 3159 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)N)Cl 271570a_100010780539_200000761891 [0,2,0,0,0,0|1,0,0]=3 3160 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)N)F 271570a_100010780539_100000740924 [0,2,0,0,0,0|1,0,0]=3 3161 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)N)N 271570a_100010780539_100000741789 [0,2,0,0,0,0|1,0,0]=3 3162 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)N)O 271570a_100010780539_100000752626 [0,2,0,0,0,0|1,0,0]=3 3163 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)O)Br 271570a_100010780539_100012356990 [0,2,0,0,0,0|1,0,0]=3 3164 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)O)C 271570a_100010780539_100000766334 [0,2,0,0,0,0|1,0,0]=3 3165 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)O)Cl 271570a_100010780539_100011356854 [0,2,0,0,0,0|1,0,0]=3 3166 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)O)F 271570a_100010780539_100000686035 [0,2,0,0,0,0|1,0,0]=3 3167 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)O)N 271570a_100010780539_100000739049 [0,2,0,0,0,0|1,0,0]=3 3168 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(c2)O)O 271570a_100010780539_100009813601 [0,2,0,0,0,0|1,0,0]=3 3169 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)Br)O 271570a_100010780539_100000725334 [0,2,0,0,0,0|2,0,0]=4 3170 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)C)Br 271570a_100010780539_100012360386 [0,2,0,0,0,0|2,0,0]=4 3171 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)C)C 271570a_100010780539_100000103781 [0,2,0,0,0,0|2,0,0]=4 3172 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)C)F 271570a_100010780539_100009814307 [0,2,0,0,0,0|2,0,0]=4 3173 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)C)N 271570a_100010780539_100000760127 [0,2,0,0,0,0|2,0,0]=4 3174 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)C)O 271570a_100010780539_100010233687 [0,2,0,0,0,0|2,0,0]=4 3175 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)Cl)N 271570a_100010780539_200010233646 [0,2,0,0,0,0|2,0,0]=4 3176 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)Cl)O 271570a_100010780539_100000721234 [0,2,0,0,0,0|2,0,0]=4 3177 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)F)Br 271570a_100010780539_100010134343 [0,2,0,0,0,0|2,0,0]=4 3178 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)F)N 271570a_100010780539_100009856439 [0,2,0,0,0,0|2,0,0]=4 3179 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)F)O 271570a_100010780539_100009819667 [0,2,0,0,0,0|2,0,0]=4 3180 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)N)C 271570a_100010780539_100009857032 [0,2,0,0,0,0|2,0,0]=4 3181 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)N)F 271570a_100010780539_100016091773 [0,2,0,0,0,0|2,0,0]=4 3182 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)N)N 271570a_100010780539_100000747239 [0,2,0,0,0,0|2,0,0]=4 3183 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)N)O 271570a_100010780539_100000685527 [0,2,0,0,0,0|2,0,0]=4 3184 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)O)F 271570a_100010780539_100010729010 [0,2,0,0,0,0|2,0,0]=4 3185 B17R2.311425 CCOC(=O)C1CC1c2ccc(c(n2)O)N 271570a_100010780539_100000718904 [0,2,0,0,0,0|2,0,0]=4 3186 B17R2.311425 CCOC(=O)C1CC1c2ccn(c(=O)c2)C 271570a_100010780539_100009820031 [0,2,0,0,0,0|2,0,0]=4 3187 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)Br)Cl 271570a_100010780539_100010172733 [0,2,0,0,0,0|2,0,0]=4 3188 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)Br)N 271570a_100010780539_100012353989 [0,2,0,0,0,0|2,0,0]=4 3189 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)C)Br 271570a_100010780539_100009816107 [0,2,0,0,0,0|2,0,0]=4 3190 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)C)C 271570a_100010780539_100000697892 [0,2,0,0,0,0|2,0,0]=4 3191 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)C)Cl 271570a_100010780539_100009922867 [0,2,0,0,0,0|2,0,0]=4 3192 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)C)F 271570a_100010780539_100000709442 [0,2,0,0,0,0|2,0,0]=4 3193 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)C)N 271570a_100010780539_100000186686 [0,2,0,0,0,0|2,0,0]=4 3194 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)C)O 271570a_100010780539_100000685391 [0,2,0,0,0,0|2,0,0]=4 3195 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)Cl)N 271570a_100010780539_100012356299 [0,2,0,0,0,0|2,0,0]=4 3196 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)Cl)O 271570a_100010780539_100010238531 [0,2,0,0,0,0|2,0,0]=4 3197 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)F)C 271570a_100010780539_100009845756 [0,2,0,0,0,0|2,0,0]=4 3198 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)F)F 271570a_100010780539_100009817721 [0,2,0,0,0,0|2,0,0]=4 3199 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)F)N 271570a_100010780539_100000693161 [0,2,0,0,0,0|2,0,0]=4 3200 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)N)C 271570a_100010780539_100011999542 [0,2,0,0,0,0|2,0,0]=4 3201 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)N)Cl 271570a_100010780539_100009828400 [0,2,0,0,0,0|2,0,0]=4 3202 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)N)F 271570a_100010780539_100009816798 [0,2,0,0,0,0|2,0,0]=4 3203 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)N)N 271570a_100010780539_100000184470 [0,2,0,0,0,0|2,0,0]=4 3204 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)N)O 271570a_100010780539_100000743729 [0,2,0,0,0,0|2,0,0]=4 3205 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)O)C 271570a_100010780539_100009864810 [0,2,0,0,0,0|2,0,0]=4 3206 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)O)F 271570a_100010780539_100009819871 [0,2,0,0,0,0|2,0,0]=4 3207 B17R2.311425 CCOC(=O)C1CC1c2cnc(c(c2)O)N 271570a_100010780539_100009819042 [0,2,0,0,0,0|2,0,0]=4 3208 B17R2.2308 C#CCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000731252 [0,2,0,0,0,0|2,0,0]=4 3209 B17R2.2308 C#CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000755551_100009815801 [0,2,0,0,0,0|2,0,0]=4 3210 B17R2.2308 C#CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000755551_100009815801 [0,2,0,0,0,0|2,0,0]=4 3211 B17R2.2308 C#CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000755551_100009815801 [0,2,0,0,0,0|2,0,0]=4 3212 B17R2.2308 C=CCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000757094 [0,2,0,0,0,0|2,0,0]=4 3213 B17R2.2308 C=CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100015191253_100009815801 [0,2,0,0,0,0|2,0,0]=4 3214 B17R2.2308 C=CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100015191253_100009815801 [0,2,0,0,0,0|2,0,0]=4 3215 B17R2.2308 C=CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100015191253_100009815801 [0,2,0,0,0,0|2,0,0]=4 3216 B17R2.2308 CC#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000685387_100009815801 [0,2,0,0,0,0|2,0,0]=4 3217 B17R2.2308 CC#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000685387_100009815801 [0,2,0,0,0,0|2,0,0]=4 3218 B17R2.2308 CC/C=C\CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100103147603 [0,2,0,0,0,0|2,0,0]=4 3219 B17R2.2308 CCC#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100009813939 [0,2,0,0,0,0|2,0,0]=4 3220 B17R2.2308 CCCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210326 [0,2,0,0,0,0|2,0,0]=4 3221 B17R2.2308 CCCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000102301_100009815801 [0,2,0,0,0,0|2,0,0]=4 3222 B17R2.2308 CCCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000102301_100009815801 [0,2,0,0,0,0|2,0,0]=4 3223 B17R2.2308 CCCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000102301_100009815801 [0,2,0,0,0,0|2,0,0]=4 3224 B17R2.2308 CCCNNC(=O)[C@@H]1C[C@H]1c2ccccc2 22a_100000740057_100009815801 [0,2,0,0,0,0|2,0,0]=4 3225 B17R2.2308 CCOCCC(=O)C1CC1c2cccnc2 1458a_100000746292_100011215890 [0,2,0,0,0,0|2,0,0]=4 3226 B17R2.2308 CCOCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011215890 [0,2,0,0,0,0|1,0,0]=3 3227 B17R2.2308 CCSCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000757381 [0,2,0,0,0,0|1,1,0]=4 3228 B17R2.2308 COCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000740836 [0,2,0,0,0,0|2,0,0]=4 3229 B17R2.2308 COCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000209980_100009815801 [0,2,0,0,0,0|2,0,0]=4 3230 B17R2.2308 COCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000209980_100009815801 [0,2,0,0,0,0|2,0,0]=4 3231 B17R2.2308 CSCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100020590264_100009815801 [0,2,0,0,0,0|2,0,0]=4 3232 B17R2.2308 CSCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100020590264_100009815801 [0,2,0,0,0,0|2,0,0]=4 3233 B17R2.2308 CSCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100020590264_100009815801 [0,2,0,0,0,0|2,0,0]=4 3234 B17R2.2308 N#CCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000211468 [0,2,0,0,0,0|2,0,0]=4 3235 B17R2.2308 N#CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000720768_100009815801 [0,2,0,0,0,0|2,0,0]=4 3236 B17R2.2308 N#CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000720768_100009815801 [0,2,0,0,0,0|2,0,0]=4 3237 B17R2.2308 N#CCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000720768_100009815801 [0,2,0,0,0,0|2,0,0]=4 3238 B17R2.2308 O=C(CCCCF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000729493 [0,2,0,0,0,0|2,0,0]=4 3239 B17R2.2308 O=C(CCCCO)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210776 [0,2,0,0,0,0|2,0,0]=4 3240 B17R2.2308 O=C(NCCCF)[C@@H]1C[C@H]1c2ccccc2 11a_100015189416_100009815801 [0,2,0,0,0,0|2,0,0]=4 3241 B17R2.2308 O=C(NCCCF)[C@@H]1C[C@H]1c2ccccc2 240690a_100015189416_100009815801 [0,2,0,0,0,0|2,0,0]=4 3242 B17R2.2308 O=C(NCCCF)[C@@H]1C[C@H]1c2ccccc2 527a_100015189416_100009815801 [0,2,0,0,0,0|2,0,0]=4 3243 B17R2.2308 O=C(NCCCO)[C@@H]1C[C@H]1c2ccccc2 240690a_100000182051_100009815801 [0,2,0,0,0,0|2,0,0]=4 3244 B17R2.2308 O=C(NCCCO)[C@@H]1C[C@H]1c2ccccc2 527a_100000182051_100009815801 [0,2,0,0,0,0|2,0,0]=4 3245 B17R2.2308 O=C(NNCCO)[C@@H]1C[C@H]1c2ccccc2 22a_100000210001_100009815801 [0,2,0,0,0,0|2,0,0]=4 3246 B17R2.6114 C#CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000707721_100009815801 [0,2,0,0,0,0|2,0,0]=4 3247 B17R2.6114 C#CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000707721_100009815801 [0,2,0,0,0,0|2,0,0]=4 3248 B17R2.6114 C#CC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000707721_100009815801 [0,2,0,0,0,0|2,0,0]=4 3249 B17R2.6114 CC(C#N)NC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000737613_100009815801 [0,2,0,0,0,0|2,0,0]=4 3250 B17R2.6114 CC(C#N)NC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000737613_100009815801 [0,2,0,0,0,0|2,0,0]=4 3251 B17R2.6114 CCC(=O)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000747405 [0,2,0,0,0,0|2,0,0]=4 3252 B17R2.6114 CCC(C)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000748023 [0,2,0,0,0,0|2,0,0]=4 3253 B17R2.6114 CCC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000209981_100009815801 [0,2,0,0,0,0|2,0,0]=4 3254 B17R2.6114 CCC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000209981_100009815801 [0,2,0,0,0,0|2,0,0]=4 3255 B17R2.6114 CCC(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000209981_100009815801 [0,2,0,0,0,0|2,0,0]=4 3256 B17R2.6114 CCC(O)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011218378 [0,2,0,0,0,0|2,0,0]=4 3257 B17R2.6114 CC[C@H](C)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100009816398 [0,2,0,0,0,0|2,0,0]=4 3258 B17R2.6114 C[C@@H](CO)CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000059175 [0,2,0,0,0,0|2,0,0]=4 3259 B17R2.6114 C[C@H](CF)NC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100102880703_100009815801 [0,2,0,0,0,0|2,0,0]=4 3260 B17R2.6114 C[C@H](CF)NC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102880703_100009815801 [0,2,0,0,0,0|2,0,0]=4 3261 B17R2.6114 C[C@H](CF)NC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102880703_100009815801 [0,2,0,0,0,0|2,0,0]=4 3262 B17R2.6114 C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000737577_100009815801 [0,2,0,0,0,0|2,0,0]=4 3263 B17R2.6114 C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000737577_100009815801 [0,2,0,0,0,0|2,0,0]=4 3264 B17R2.10098 C=C(C)CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000730704 [0,2,0,0,0,0|2,0,0]=4 3265 B17R2.10098 C=C(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000765925_100009815801 [0,2,0,0,0,0|2,0,0]=4 3266 B17R2.10098 C=C(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000765925_100009815801 [0,2,0,0,0,0|2,0,0]=4 3267 B17R2.10098 C=C(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000765925_100009815801 [0,2,0,0,0,0|2,0,0]=4 3268 B17R2.10098 CC(C)CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210312 [0,2,0,0,0,0|2,0,0]=4 3269 B17R2.10098 CC(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000210953_100009815801 [0,2,0,0,0,0|2,0,0]=4 3270 B17R2.10098 CC(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000210953_100009815801 [0,2,0,0,0,0|2,0,0]=4 3271 B17R2.10098 CC(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000210953_100009815801 [0,2,0,0,0,0|2,0,0]=4 3272 B17R2.10098 CC(C)NNC(=O)[C@@H]1C[C@H]1c2ccccc2 22a_100000741168_100009815801 [0,2,0,0,0,0|2,0,0]=4 3273 B17R2.10098 CC(O)CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100012276601 [0,2,0,0,0,0|2,0,0]=4 3274 B17R2.10098 CC(O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000210904_100009815801 [0,2,0,0,0,0|2,0,0]=4 3275 B17R2.10098 CC(O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000210904_100009815801 [0,2,0,0,0,0|2,0,0]=4 3276 B17R2.10098 CC(O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000210904_100009815801 [0,2,0,0,0,0|2,0,0]=4 3277 B17R2.10098 O=C(NCC(F)F)[C@@H]1C[C@H]1c2ccccc2 11a_100000765723_100009815801 [0,2,0,0,0,0|2,0,0]=4 3278 B17R2.10098 O=C(NCC(F)F)[C@@H]1C[C@H]1c2ccccc2 240690a_100000765723_100009815801 [0,2,0,0,0,0|2,0,0]=4 3279 B17R2.10098 O=C(NCC(F)F)[C@@H]1C[C@H]1c2ccccc2 527a_100000765723_100009815801 [0,2,0,0,0,0|2,0,0]=4 3280 B17R2.21313 CCCCC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000210211 [0,2,0,0,0,0|2,0,0]=4 3281 B17R2.21313 CCCNC(=O)C1CC1c2cccc(c2)Br 240690a_100020643023_100000747823 [0,2,0,0,0,0|2,0,0]=4 3282 B17R2.21313 CCCNC(=O)C1CC1c2cccc(c2)Cl 11a_100020643023_100000747819 [0,2,0,0,0,0|2,0,0]=4 3283 B17R2.21313 CCCNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 11a_100020643023_100015409224 [0,2,0,0,0,0|2,0,0]=4 3284 B17R2.21313 CCCNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 1626a_100020643023_100015409224 [0,2,0,0,0,0|2,0,0]=4 3285 B17R2.21313 CCCNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 527a_100020643023_100015409224 [0,2,0,0,0,0|2,0,0]=4 3286 B17R2.21313 CCNNC(=O)C1CC1c2cccc(c2)Br 22a_100000756455_100000747823 [0,2,0,0,0,0|2,0,0]=4 3287 B17R2.21313 CCNNC(=O)C1CC1c2cccc(c2)Cl 22a_100000756455_100000747819 [0,2,0,0,0,0|2,0,0]=4 3288 B17R2.21313 CCNNC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 22a_100000756455_100015409224 [0,2,0,0,0,0|2,0,0]=4 3289 B17R2.21313 COCCC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000233755 [0,2,0,0,0,0|2,0,0]=4 3290 B17R2.21313 CSCCC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000751147 [0,2,0,0,0,0|2,0,0]=4 3291 B17R2.21313 O=C(CCCF)C1CC1c2cccc(c2)Br 1458a_100000747823_100011934791 [0,2,0,0,0,0|2,0,0]=4 3292 B17R2.21313 O=C(CCCO)C1CC1c2cccc(c2)Br 1458a_100000747823_100011215043 [0,2,0,0,0,0|2,0,0]=4 3293 B17R2.21313 O=C(NCCF)C1CC1c2cccc(c2)Br 240690a_100000724931_100000747823 [0,2,0,0,0,0|2,0,0]=4 3294 B17R2.21313 O=C(NCCF)C1CC1c2cccc(c2)Cl 11a_100000724931_100000747819 [0,2,0,0,0,0|2,0,0]=4 3295 B17R2.21313 O=C(NCCF)[C@@H]1C[C@H]1c2cccc(c2)F 11a_100000724931_100015409224 [0,2,0,0,0,0|2,0,0]=4 3296 B17R2.21313 O=C(NCCF)[C@@H]1C[C@H]1c2cccc(c2)F 1626a_100000724931_100015409224 [0,2,0,0,0,0|2,0,0]=4 3297 B17R2.21313 O=C(NCCF)[C@@H]1C[C@H]1c2cccc(c2)F 527a_100000724931_100015409224 [0,2,0,0,0,0|2,0,0]=4 3298 B17R2.21313 O=C(NCCO)C1CC1c2cccc(c2)Br 240690a_100000210304_100000747823 [0,2,0,0,0,0|2,0,0]=4 3299 B17R2.21313 O=C(NCCO)[C@@H]1C[C@H]1c2cccc(c2)F 527a_100000210304_100015409224 [0,2,0,0,0,0|2,0,0]=4 3300 B17R2.74343 CCCCC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000210211 [0,2,0,0,0,0|2,0,0]=4 3301 B17R2.74343 CCCCC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000210211 [0,2,0,0,0,0|2,0,0]=4 3302 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2Br 240690a_100020643023_100000748278 [0,2,0,0,0,0|2,0,0]=4 3303 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2Br 527a_100020643023_100000748278 [0,2,0,0,0,0|2,0,0]=4 3304 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2Cl 11a_100020643023_100016119764 [0,2,0,0,0,0|2,0,0]=4 3305 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2Cl 240690a_100020643023_100016119764 [0,2,0,0,0,0|2,0,0]=4 3306 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2Cl 527a_100020643023_100016119764 [0,2,0,0,0,0|2,0,0]=4 3307 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2F 11a_100020643023_100015190330 [0,2,0,0,0,0|2,0,0]=4 3308 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2F 240690a_100020643023_100015190330 [0,2,0,0,0,0|2,0,0]=4 3309 B17R2.74343 CCCNC(=O)C1CC1c2ccccc2F 527a_100020643023_100015190330 [0,2,0,0,0,0|2,0,0]=4 3310 B17R2.74343 CCNNC(=O)C1CC1c2ccccc2Br 22a_100000756455_100000748278 [0,2,0,0,0,0|2,0,0]=4 3311 B17R2.74343 CCNNC(=O)C1CC1c2ccccc2Cl 22a_100000756455_100016119764 [0,2,0,0,0,0|2,0,0]=4 3312 B17R2.74343 CCNNC(=O)C1CC1c2ccccc2F 22a_100000756455_100015190330 [0,2,0,0,0,0|2,0,0]=4 3313 B17R2.74343 COCCC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000233755 [0,2,0,0,0,0|2,0,0]=4 3314 B17R2.74343 COCCC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000233755 [0,2,0,0,0,0|2,0,0]=4 3315 B17R2.74343 CSCCC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000751147 [0,2,0,0,0,0|2,0,0]=4 3316 B17R2.74343 CSCCC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000751147 [0,2,0,0,0,0|2,0,0]=4 3317 B17R2.74343 O=C(CCCF)C1CC1c2ccccc2Br 1458a_100000748278_100011934791 [0,2,0,0,0,0|2,0,0]=4 3318 B17R2.74343 O=C(CCCF)C1CC1c2ccccc2Cl 1458a_100016119764_100011934791 [0,2,0,0,0,0|2,0,0]=4 3319 B17R2.74343 O=C(CCCO)C1CC1c2ccccc2Br 1458a_100000748278_100011215043 [0,2,0,0,0,0|2,0,0]=4 3320 B17R2.74343 O=C(CCCO)C1CC1c2ccccc2Cl 1458a_100016119764_100011215043 [0,2,0,0,0,0|2,0,0]=4 3321 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2Br 240690a_100000724931_100000748278 [0,2,0,0,0,0|2,0,0]=4 3322 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2Br 527a_100000724931_100000748278 [0,2,0,0,0,0|2,0,0]=4 3323 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2Cl 11a_100000724931_100016119764 [0,2,0,0,0,0|2,0,0]=4 3324 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2Cl 240690a_100000724931_100016119764 [0,2,0,0,0,0|2,0,0]=4 3325 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2Cl 527a_100000724931_100016119764 [0,2,0,0,0,0|2,0,0]=4 3326 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2F 11a_100000724931_100015190330 [0,2,0,0,0,0|2,0,0]=4 3327 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2F 240690a_100000724931_100015190330 [0,2,0,0,0,0|2,0,0]=4 3328 B17R2.74343 O=C(NCCF)C1CC1c2ccccc2F 527a_100000724931_100015190330 [0,2,0,0,0,0|2,0,0]=4 3329 B17R2.74343 O=C(NCCO)C1CC1c2ccccc2Br 240690a_100000210304_100000748278 [0,2,0,0,0,0|2,0,0]=4 3330 B17R2.74343 O=C(NCCO)C1CC1c2ccccc2Br 527a_100000210304_100000748278 [0,2,0,0,0,0|2,0,0]=4 3331 B17R2.74343 O=C(NCCO)C1CC1c2ccccc2Cl 240690a_100000210304_100016119764 [0,2,0,0,0,0|2,0,0]=4 3332 B17R2.74343 O=C(NCCO)C1CC1c2ccccc2Cl 527a_100000210304_100016119764 [0,2,0,0,0,0|2,0,0]=4 3333 B17R2.74343 O=C(NCCO)C1CC1c2ccccc2F 240690a_100000210304_100015190330 [0,2,0,0,0,0|2,0,0]=4 3334 B17R2.74343 O=C(NCCO)C1CC1c2ccccc2F 527a_100000210304_100015190330 [0,2,0,0,0,0|2,0,0]=4 3335 B17R2.6790 CCC(C)C(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000758301 [0,2,0,0,0,0|2,0,0]=4 3336 B17R2.6790 CCN(C)C(=O)C1CC1c2cccc(c2)Br 240690a_100000225621_100000747823 [0,2,0,0,0,0|2,0,0]=4 3337 B17R2.6790 CCN(C)C(=O)C1CC1c2cccc(c2)Cl 11a_100000225621_100000747819 [0,2,0,0,0,0|2,0,0]=4 3338 B17R2.6790 CCN(C)C(=O)[C@@H]1C[C@H]1c2cccc(c2)F 11a_100000225621_100015409224 [0,2,0,0,0,0|2,0,0]=4 3339 B17R2.6790 CCN(C)C(=O)[C@@H]1C[C@H]1c2cccc(c2)F 1626a_100000225621_100015409224 [0,2,0,0,0,0|2,0,0]=4 3340 B17R2.6790 CCN(C)C(=O)[C@@H]1C[C@H]1c2cccc(c2)F 527a_100000225621_100015409224 [0,2,0,0,0,0|2,0,0]=4 3341 B17R2.6821 CCC(C)C(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000758301 [0,2,0,0,0,0|2,0,0]=4 3342 B17R2.6821 CCC(C)C(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000758301 [0,2,0,0,0,0|2,0,0]=4 3343 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2Br 240690a_100000225621_100000748278 [0,2,0,0,0,0|2,0,0]=4 3344 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2Br 527a_100000225621_100000748278 [0,2,0,0,0,0|2,0,0]=4 3345 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2Cl 11a_100000225621_100016119764 [0,2,0,0,0,0|2,0,0]=4 3346 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2Cl 240690a_100000225621_100016119764 [0,2,0,0,0,0|2,0,0]=4 3347 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2Cl 527a_100000225621_100016119764 [0,2,0,0,0,0|2,0,0]=4 3348 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2F 11a_100000225621_100015190330 [0,2,0,0,0,0|2,0,0]=4 3349 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2F 240690a_100000225621_100015190330 [0,2,0,0,0,0|2,0,0]=4 3350 B17R2.6821 CCN(C)C(=O)C1CC1c2ccccc2F 527a_100000225621_100015190330 [0,2,0,0,0,0|2,0,0]=4 3351 B17R2.12174 CCC(CC)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210505 [0,2,0,0,0,0|2,0,0]=4 3352 B17R2.12174 CCN(CC)C(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000724800_100009815801 [0,2,0,0,0,0|2,0,0]=4 3353 B17R2.12174 CCN(CC)C(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000724800_100009815801 [0,2,0,0,0,0|2,0,0]=4 3354 B17R2.12174 CCN(CC)C(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000724800_100009815801 [0,2,0,0,0,0|2,0,0]=4 3355 B17R2.20005 CC(C)N(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 11a_200000211004_100009815801 [0,2,0,0,0,0|2,0,0]=4 3356 B17R2.20005 CC(C)N(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_200000211004_100009815801 [0,2,0,0,0,0|2,0,0]=4 3357 B17R2.20005 CC(C)N(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 527a_200000211004_100009815801 [0,2,0,0,0,0|2,0,0]=4 3358 B17R2.19509 CC(C)CC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000210624 [0,2,0,0,0,0|2,0,0]=4 3359 B17R2.19509 CC(C)NC(=O)C1CC1c2cccc(c2)Br 240690a_100138425928_100000747823 [0,2,0,0,0,0|2,0,0]=4 3360 B17R2.19509 CC(C)NC(=O)C1CC1c2cccc(c2)Cl 11a_100138425928_100000747819 [0,2,0,0,0,0|2,0,0]=4 3361 B17R2.19509 CC(C)NC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 11a_100138425928_100015409224 [0,2,0,0,0,0|2,0,0]=4 3362 B17R2.19509 CC(C)NC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 1626a_100138425928_100015409224 [0,2,0,0,0,0|2,0,0]=4 3363 B17R2.19509 CC(C)NC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 527a_100138425928_100015409224 [0,2,0,0,0,0|2,0,0]=4 3364 B17R2.19509 CC(O)CC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100011218427 [0,2,0,0,0,0|2,0,0]=4 3365 B17R2.24303 CC(C)CC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000210624 [0,2,0,0,0,0|2,0,0]=4 3366 B17R2.24303 CC(C)CC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000210624 [0,2,0,0,0,0|2,0,0]=4 3367 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2Br 240690a_100138425928_100000748278 [0,2,0,0,0,0|2,0,0]=4 3368 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2Br 527a_100138425928_100000748278 [0,2,0,0,0,0|2,0,0]=4 3369 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2Cl 11a_100138425928_100016119764 [0,2,0,0,0,0|2,0,0]=4 3370 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2Cl 240690a_100138425928_100016119764 [0,2,0,0,0,0|2,0,0]=4 3371 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2Cl 527a_100138425928_100016119764 [0,2,0,0,0,0|2,0,0]=4 3372 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2F 11a_100138425928_100015190330 [0,2,0,0,0,0|2,0,0]=4 3373 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2F 240690a_100138425928_100015190330 [0,2,0,0,0,0|2,0,0]=4 3374 B17R2.24303 CC(C)NC(=O)C1CC1c2ccccc2F 527a_100138425928_100015190330 [0,2,0,0,0,0|2,0,0]=4 3375 B17R2.24303 CC(O)CC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100011218427 [0,2,0,0,0,0|2,0,0]=4 3376 B17R2.24303 CC(O)CC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100011218427 [0,2,0,0,0,0|2,0,0]=4 3377 B17R2.45600 CC(C)(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000715429_100009815801 [0,2,0,0,0,0|2,0,0]=4 3378 B17R2.45600 CC(C)(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000715429_100009815801 [0,2,0,0,0,0|2,0,0]=4 3379 B17R2.45600 CC(C)(C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000715429_100009815801 [0,2,0,0,0,0|2,0,0]=4 3380 B17R2.311418 CCOC(=O)C1CC1c2cc(=O)[nH]cc2F 271570a_100010780539_100009817642 [0,2,0,0,0,0|2,0,0]=4 3381 B17R2.311418 CCOC(=O)C1CC1c2cc(c[nH]c2=O)F 271570a_100010780539_100009817720 [0,2,0,0,0,0|2,0,0]=4 3382 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Br)Br 271570a_100010780539_100011483371 [0,2,0,0,0,0|1,0,0]=3 3383 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Br)C 271570a_100010780539_100012353751 [0,2,0,0,0,0|1,0,0]=3 3384 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Br)Cl 271570a_100010780539_100012339723 [0,2,0,0,0,0|1,0,0]=3 3385 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Br)F 271570a_100010780539_100011217576 [0,2,0,0,0,0|1,0,0]=3 3386 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Br)N 271570a_100010780539_100000750459 [0,2,0,0,0,0|1,0,0]=3 3387 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Br)O 271570a_100010780539_100012339312 [0,2,0,0,0,0|1,0,0]=3 3388 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2C)Br 271570a_100010780539_100011344865 [0,2,0,0,0,0|1,0,0]=3 3389 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2C)C 271570a_100010780539_100000210833 [0,2,0,0,0,0|1,0,0]=3 3390 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2C)Cl 271570a_100010780539_100011263213 [0,2,0,0,0,0|1,0,0]=3 3391 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2C)F 271570a_100010780539_100011218078 [0,2,0,0,0,0|1,0,0]=3 3392 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2C)N 271570a_100010780539_100000736455 [0,2,0,0,0,0|1,0,0]=3 3393 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2C)O 271570a_100010780539_100011380479 [0,2,0,0,0,0|1,0,0]=3 3394 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Cl)Br 271570a_100010780539_100011772130 [0,2,0,0,0,0|1,0,0]=3 3395 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Cl)C 271570a_100010780539_100012356289 [0,2,0,0,0,0|1,0,0]=3 3396 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Cl)Cl 271570a_100010780539_100000707729 [0,2,0,0,0,0|1,0,0]=3 3397 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Cl)F 271570a_100010780539_100011217299 [0,2,0,0,0,0|1,0,0]=3 3398 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Cl)N 271570a_100010780539_100012360549 [0,2,0,0,0,0|1,0,0]=3 3399 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2Cl)O 271570a_100010780539_100000049588 [0,2,0,0,0,0|1,0,0]=3 3400 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2F)Br 271570a_100010780539_100011217312 [0,2,0,0,0,0|1,0,0]=3 3401 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2F)C 271570a_100010780539_100000736223 [0,2,0,0,0,0|1,0,0]=3 3402 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2F)Cl 271570a_100010780539_100011218116 [0,2,0,0,0,0|1,0,0]=3 3403 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2F)F 271570a_100010780539_100000750033 [0,2,0,0,0,0|1,0,0]=3 3404 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2F)N 271570a_100010780539_100000760356 [0,2,0,0,0,0|1,0,0]=3 3405 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2F)O 271570a_100010780539_100000693481 [0,2,0,0,0,0|1,0,0]=3 3406 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2N)Br 271570a_100010780539_100000187925 [0,2,0,0,0,0|1,0,0]=3 3407 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2N)C 271570a_100010780539_100000210942 [0,2,0,0,0,0|1,0,0]=3 3408 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2N)Cl 271570a_100010780539_100000761889 [0,2,0,0,0,0|1,0,0]=3 3409 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2N)F 271570a_100010780539_100000760547 [0,2,0,0,0,0|1,0,0]=3 3410 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2N)N 271570a_100010780539_100011534242 [0,2,0,0,0,0|1,0,0]=3 3411 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2N)O 271570a_100010780539_100012001276 [0,2,0,0,0,0|1,0,0]=3 3412 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2O)Br 271570a_100010780539_100012355227 [0,2,0,0,0,0|1,0,0]=3 3413 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2O)C 271570a_100010780539_100000765521 [0,2,0,0,0,0|1,0,0]=3 3414 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2O)Cl 271570a_100010780539_100011356953 [0,2,0,0,0,0|1,0,0]=3 3415 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2O)F 271570a_100010780539_100000211999 [0,2,0,0,0,0|1,0,0]=3 3416 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2O)N 271570a_100010780539_100011534360 [0,2,0,0,0,0|1,0,0]=3 3417 B17R2.311418 CCOC(=O)C1CC1c2cc(ccc2O)O 271570a_100010780539_100009813629 [0,2,0,0,0,0|1,0,0]=3 3418 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2Br)N 271570a_100010780539_100010201102 [0,2,0,0,0,0|2,0,0]=4 3419 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2C)Br 271570a_100010780539_200010090566 [0,2,0,0,0,0|2,0,0]=4 3420 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2C)C 271570a_100010780539_100009817436 [0,2,0,0,0,0|2,0,0]=4 3421 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2C)F 271570a_100010780539_100009860710 [0,2,0,0,0,0|2,0,0]=4 3422 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2C)N 271570a_100010780539_100011998591 [0,2,0,0,0,0|2,0,0]=4 3423 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2C)O 271570a_100010780539_100009819603 [0,2,0,0,0,0|2,0,0]=4 3424 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2Cl)Br 271570a_100010780539_100009814771 [0,2,0,0,0,0|2,0,0]=4 3425 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2Cl)C 271570a_100010780539_100010210167 [0,2,0,0,0,0|2,0,0]=4 3426 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2Cl)Cl 271570a_100010780539_200000062399 [0,2,0,0,0,0|2,0,0]=4 3427 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2Cl)N 271570a_100010780539_100010253917 [0,2,0,0,0,0|2,0,0]=4 3428 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2F)Br 271570a_100010780539_100010172738 [0,2,0,0,0,0|2,0,0]=4 3429 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2F)C 271570a_100010780539_100000049784 [0,2,0,0,0,0|2,0,0]=4 3430 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2F)Cl 271570a_100010780539_100010188783 [0,2,0,0,0,0|2,0,0]=4 3431 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2F)F 271570a_100010780539_100009820768 [0,2,0,0,0,0|2,0,0]=4 3432 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2F)N 271570a_100010780539_100009840397 [0,2,0,0,0,0|2,0,0]=4 3433 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2F)O 271570a_100010780539_100009817267 [0,2,0,0,0,0|2,0,0]=4 3434 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2N)Br 271570a_100010780539_100000760472 [0,2,0,0,0,0|2,0,0]=4 3435 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2N)C 271570a_100010780539_100000049664 [0,2,0,0,0,0|2,0,0]=4 3436 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2N)Cl 271570a_100010780539_100000050159 [0,2,0,0,0,0|2,0,0]=4 3437 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2N)F 271570a_100010780539_100009814671 [0,2,0,0,0,0|2,0,0]=4 3438 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2N)N 271570a_100010780539_200011934315 [0,2,0,0,0,0|2,0,0]=4 3439 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2O)Br 271570a_100010780539_100010197142 [0,2,0,0,0,0|2,0,0]=4 3440 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2O)C 271570a_100010780539_100000049931 [0,2,0,0,0,0|2,0,0]=4 3441 B17R2.311418 CCOC(=O)C1CC1c2cc(cnc2O)Cl 271570a_100010780539_100010188700 [0,2,0,0,0,0|2,0,0]=4 3442 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2Br)Br 271570a_100010780539_100010171693 [0,2,0,0,0,0|2,0,0]=4 3443 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2Br)Cl 271570a_100010780539_100009815598 [0,2,0,0,0,0|2,0,0]=4 3444 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2C)Br 271570a_100010780539_100010067628 [0,2,0,0,0,0|2,0,0]=4 3445 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2C)C 271570a_100010780539_100009862788 [0,2,0,0,0,0|2,0,0]=4 3446 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2C)Cl 271570a_100010780539_100010068021 [0,2,0,0,0,0|2,0,0]=4 3447 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2C)F 271570a_100010780539_100000049870 [0,2,0,0,0,0|2,0,0]=4 3448 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2C)N 271570a_100010780539_100009819938 [0,2,0,0,0,0|2,0,0]=4 3449 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2C)O 271570a_100010780539_100009831917 [0,2,0,0,0,0|2,0,0]=4 3450 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2Cl)Br 271570a_100010780539_100010223331 [0,2,0,0,0,0|2,0,0]=4 3451 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2Cl)Cl 271570a_100010780539_100010172835 [0,2,0,0,0,0|2,0,0]=4 3452 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2Cl)F 271570a_100010780539_100009892587 [0,2,0,0,0,0|2,0,0]=4 3453 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2Cl)N 271570a_100010780539_100010134119 [0,2,0,0,0,0|2,0,0]=4 3454 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2F)Br 271570a_100010780539_100010193852 [0,2,0,0,0,0|2,0,0]=4 3455 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2F)C 271570a_100010780539_100009867690 [0,2,0,0,0,0|2,0,0]=4 3456 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2F)Cl 271570a_100010780539_100000708277 [0,2,0,0,0,0|2,0,0]=4 3457 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2F)F 271570a_100010780539_100010233071 [0,2,0,0,0,0|2,0,0]=4 3458 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2F)N 271570a_100010780539_100015713587 [0,2,0,0,0,0|2,0,0]=4 3459 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2N)Cl 271570a_100010780539_100000050123 [0,2,0,0,0,0|2,0,0]=4 3460 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2O)C 271570a_100010780539_100009843476 [0,2,0,0,0,0|2,0,0]=4 3461 B17R2.311418 CCOC(=O)C1CC1c2cc(ncc2O)Cl 271570a_100010780539_100000698892 [0,2,0,0,0,0|2,0,0]=4 3462 B17R2.311418 CCOC(=O)C1CC1c2cn(ccc2=O)C 271570a_100010780539_100010750718 [0,2,0,0,0,0|2,0,0]=4 3463 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2Br)N 271570a_100010780539_100010192275 [0,2,0,0,0,0|2,0,0]=4 3464 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2C)C 271570a_100010780539_100009854376 [0,2,0,0,0,0|2,0,0]=4 3465 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2C)N 271570a_100010780539_100000126722 [0,2,0,0,0,0|2,0,0]=4 3466 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2F)C 271570a_100010780539_100009817602 [0,2,0,0,0,0|2,0,0]=4 3467 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2F)Cl 271570a_100010780539_100010136221 [0,2,0,0,0,0|2,0,0]=4 3468 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2F)F 271570a_100010780539_100010997973 [0,2,0,0,0,0|2,0,0]=4 3469 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2F)N 271570a_100010780539_100010892222 [0,2,0,0,0,0|2,0,0]=4 3470 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2N)Br 271570a_100010780539_100010168765 [0,2,0,0,0,0|2,0,0]=4 3471 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2N)C 271570a_100010780539_100000685570 [0,2,0,0,0,0|2,0,0]=4 3472 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2N)Cl 271570a_100010780539_100010233647 [0,2,0,0,0,0|2,0,0]=4 3473 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2N)F 271570a_100010780539_100009879877 [0,2,0,0,0,0|2,0,0]=4 3474 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2N)N 271570a_100010780539_200009884323 [0,2,0,0,0,0|2,0,0]=4 3475 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2O)Br 271570a_100010780539_100010253912 [0,2,0,0,0,0|2,0,0]=4 3476 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2O)C 271570a_100010780539_100000702858 [0,2,0,0,0,0|2,0,0]=4 3477 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2O)Cl 271570a_100010780539_100000696390 [0,2,0,0,0,0|2,0,0]=4 3478 B17R2.311418 CCOC(=O)C1CC1c2nc(ccc2O)F 271570a_100010780539_100010382442 [0,2,0,0,0,0|2,0,0]=4 3479 B17R2.311429 CCCC(=O)C1CC1c2cccc(c2Cl)Cl 1458a_100000754477_100000210303 [0,2,0,0,0,0|2,0,0]=4 3480 B17R2.311429 CCNC(=O)C1CC1c2cccc(c2Cl)Cl 240690a_100015525214_100000754477 [0,2,0,0,0,0|2,0,0]=4 3481 B17R2.311429 CCOC(=O)C1CC1c2cccc(=O)n2C 271570a_100010780539_100000726605 [0,2,0,0,0,0|2,0,0]=4 3482 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2Br)O 271570a_100010780539_100010187914 [0,2,0,0,0,0|1,0,0]=3 3483 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2C)Br 271570a_100010780539_100012353703 [0,2,0,0,0,0|1,0,0]=3 3484 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2C)C 271570a_100010780539_100011214922 [0,2,0,0,0,0|1,0,0]=3 3485 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2C)Cl 271570a_100010780539_100000726075 [0,2,0,0,0,0|1,0,0]=3 3486 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2C)F 271570a_100010780539_100011216893 [0,2,0,0,0,0|1,0,0]=3 3487 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2C)N 271570a_100010780539_100000761887 [0,2,0,0,0,0|1,0,0]=3 3488 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2C)O 271570a_100010780539_100012002258 [0,2,0,0,0,0|1,0,0]=3 3489 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2Cl)Br 271570a_100010780539_100010142854 [0,2,0,0,0,0|1,0,0]=3 3490 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2Cl)C 271570a_100010780539_200012352035 [0,2,0,0,0,0|1,0,0]=3 3491 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2Cl)Cl 271570a_100010780539_100011215384 [0,2,0,0,0,0|1,0,0]=3 3492 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2Cl)F 271570a_100010780539_200010234923 [0,2,0,0,0,0|1,0,0]=3 3493 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2Cl)O 271570a_100010780539_100000049636 [0,2,0,0,0,0|1,0,0]=3 3494 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2F)Br 271570a_100010780539_100000702267 [0,2,0,0,0,0|1,0,0]=3 3495 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2F)C 271570a_100010780539_100000717567 [0,2,0,0,0,0|1,0,0]=3 3496 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2F)Cl 271570a_100010780539_100011217346 [0,2,0,0,0,0|1,0,0]=3 3497 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2F)F 271570a_100010780539_100000694657 [0,2,0,0,0,0|1,0,0]=3 3498 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2F)N 271570a_100010780539_100011935091 [0,2,0,0,0,0|1,0,0]=3 3499 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2F)O 271570a_100010780539_100009817021 [0,2,0,0,0,0|1,0,0]=3 3500 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2N)Br 271570a_100010780539_100010146558 [0,2,0,0,0,0|1,0,0]=3 3501 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2N)C 271570a_100010780539_100011834072 [0,2,0,0,0,0|1,0,0]=3 3502 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2N)Cl 271570a_100010780539_100010190421 [0,2,0,0,0,0|1,0,0]=3 3503 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2N)F 271570a_100010780539_100000042321 [0,2,0,0,0,0|1,0,0]=3 3504 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2N)N 271570a_100010780539_100015191791 [0,2,0,0,0,0|1,0,0]=3 3505 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2N)O 271570a_100010780539_100011934926 [0,2,0,0,0,0|1,0,0]=3 3506 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2O)Br 271570a_100010780539_100010084509 [0,2,0,0,0,0|1,0,0]=3 3507 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2O)C 271570a_100010780539_100009817157 [0,2,0,0,0,0|1,0,0]=3 3508 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2O)Cl 271570a_100010780539_100010202889 [0,2,0,0,0,0|1,0,0]=3 3509 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2O)F 271570a_100010780539_100009813666 [0,2,0,0,0,0|1,0,0]=3 3510 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2O)N 271570a_100010780539_100011934915 [0,2,0,0,0,0|1,0,0]=3 3511 B17R2.311429 CCOC(=O)C1CC1c2cccc(c2O)O 271570a_100010780539_100009815950 [0,2,0,0,0,0|1,0,0]=3 3512 B17R2.311429 CCOC(=O)C1CC1c2cccn(c2=O)C 271570a_100010780539_100000687173 [0,2,0,0,0,0|2,0,0]=4 3513 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2C)C 271570a_100010780539_100009846815 [0,2,0,0,0,0|2,0,0]=4 3514 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2C)Cl 271570a_100010780539_100000047055 [0,2,0,0,0,0|2,0,0]=4 3515 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2C)F 271570a_100010780539_100010006593 [0,2,0,0,0,0|2,0,0]=4 3516 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2C)N 271570a_100010780539_100009865460 [0,2,0,0,0,0|2,0,0]=4 3517 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2C)O 271570a_100010780539_100009858498 [0,2,0,0,0,0|2,0,0]=4 3518 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2Cl)C 271570a_100010780539_100000698670 [0,2,0,0,0,0|2,0,0]=4 3519 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2Cl)Cl 271570a_100010780539_100010246212 [0,2,0,0,0,0|2,0,0]=4 3520 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2Cl)F 271570a_100010780539_100010067886 [0,2,0,0,0,0|2,0,0]=4 3521 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2Cl)N 271570a_100010780539_100010735111 [0,2,0,0,0,0|2,0,0]=4 3522 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2F)Br 271570a_100010780539_200015269031 [0,2,0,0,0,0|2,0,0]=4 3523 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2F)C 271570a_100010780539_100009849794 [0,2,0,0,0,0|2,0,0]=4 3524 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2F)Cl 271570a_100010780539_100010150473 [0,2,0,0,0,0|2,0,0]=4 3525 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2F)F 271570a_100010780539_100010214882 [0,2,0,0,0,0|2,0,0]=4 3526 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2F)N 271570a_100010780539_100010077785 [0,2,0,0,0,0|2,0,0]=4 3527 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2N)C 271570a_100010780539_100009885578 [0,2,0,0,0,0|2,0,0]=4 3528 B17R2.311429 CCOC(=O)C1CC1c2ccnc(c2N)N 271570a_100010780539_100000124095 [0,2,0,0,0,0|2,0,0]=4 3529 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2C)Br 271570a_100010780539_100010109657 [0,2,0,0,0,0|2,0,0]=4 3530 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2C)C 271570a_100010780539_100009864703 [0,2,0,0,0,0|2,0,0]=4 3531 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2C)F 271570a_100010780539_100009881546 [0,2,0,0,0,0|2,0,0]=4 3532 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2C)N 271570a_100010780539_100011998293 [0,2,0,0,0,0|2,0,0]=4 3533 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2N)Br 271570a_100010780539_100011290786 [0,2,0,0,0,0|2,0,0]=4 3534 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2N)C 271570a_100010780539_100009818025 [0,2,0,0,0,0|2,0,0]=4 3535 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2N)Cl 271570a_100010780539_100000684942 [0,2,0,0,0,0|2,0,0]=4 3536 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2N)F 271570a_100010780539_100009880649 [0,2,0,0,0,0|2,0,0]=4 3537 B17R2.311429 CCOC(=O)C1CC1c2cncc(c2N)N 271570a_100010780539_100000694774 [0,2,0,0,0,0|2,0,0]=4 3538 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2C)C 271570a_100010780539_100009847204 [0,2,0,0,0,0|2,0,0]=4 3539 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2C)F 271570a_100010780539_100009846374 [0,2,0,0,0,0|2,0,0]=4 3540 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2C)N 271570a_100010780539_100009980296 [0,2,0,0,0,0|2,0,0]=4 3541 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2F)C 271570a_100010780539_100009817629 [0,2,0,0,0,0|2,0,0]=4 3542 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2F)N 271570a_100010780539_100015205195 [0,2,0,0,0,0|2,0,0]=4 3543 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2F)O 271570a_100010780539_100009876375 [0,2,0,0,0,0|2,0,0]=4 3544 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2N)C 271570a_100010780539_100000763560 [0,2,0,0,0,0|2,0,0]=4 3545 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2N)N 271570a_100010780539_100000085203 [0,2,0,0,0,0|2,0,0]=4 3546 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2N)O 271570a_100010780539_100000128729 [0,2,0,0,0,0|2,0,0]=4 3547 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2O)C 271570a_100010780539_100000696282 [0,2,0,0,0,0|2,0,0]=4 3548 B17R2.311429 CCOC(=O)C1CC1c2nccc(c2O)F 271570a_100010780539_100009867227 [0,2,0,0,0,0|2,0,0]=4 3549 B17R2.311431 C=Cc1cccc(c1)[C@@H]2C[C@H]2C(=O)OCC 271570a_100011290941_100103306034 [0,2,0,0,0,0|1,0,0]=3 3550 B17R2.311431 CCOC(=O)C1CC1c2cc(ccn2)C#N 271570a_100010780539_100011291639 [0,2,0,0,0,0|2,0,0]=4 3551 B17R2.311431 CCOC(=O)C1CC1c2cc(ccn2)C=O 271570a_100010780539_100011290808 [0,2,0,0,0,0|2,0,0]=4 3552 B17R2.311431 CCOC(=O)C1CC1c2cc(ccn2)CC 271570a_100010780539_100009817561 [0,2,0,0,0,0|2,0,0]=4 3553 B17R2.311431 CCOC(=O)C1CC1c2cc(ccn2)CO 271570a_100010780539_100009814636 [0,2,0,0,0,0|2,0,0]=4 3554 B17R2.311431 CCOC(=O)C1CC1c2cc(ccn2)NC 271570a_100010780539_100009869472 [0,2,0,0,0,0|2,0,0]=4 3555 B17R2.311431 CCOC(=O)C1CC1c2cc(ccn2)OC 271570a_100010780539_100011216251 [0,2,0,0,0,0|2,0,0]=4 3556 B17R2.311431 CCOC(=O)C1CC1c2cc(ccn2)SC 271570a_100010780539_100010883326 [0,2,0,0,0,0|2,0,0]=4 3557 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)C#N 271570a_100010780539_100000189340 [0,2,0,0,0,0|1,0,0]=3 3558 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)C=O 271570a_100010780539_100000014684 [0,2,0,0,0,0|1,0,0]=3 3559 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)CC 271570a_100010780539_100000684523 [0,2,0,0,0,0|1,0,0]=3 3560 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)CF 271570a_100010780539_100010878472 [0,2,0,0,0,0|1,0,0]=3 3561 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)CN 271570a_100010780539_100000106179 [0,2,0,0,0,0|1,0,0]=3 3562 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)CO 271570a_100010780539_100000687537 [0,2,0,0,0,0|1,0,0]=3 3563 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)NC 271570a_100010780539_100000219648 [0,2,0,0,0,0|1,0,0]=3 3564 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)NN 271570a_100010780539_100000217339 [0,2,0,0,0,0|1,0,0]=3 3565 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)OC 271570a_100010780539_100000170001 [0,2,0,0,0,0|1,0,0]=3 3566 B17R2.311431 CCOC(=O)C1CC1c2cccc(c2)SC 271570a_100010780539_100011215954 [0,2,0,0,0,0|1,0,0]=3 3567 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)C#N 271570a_100010780539_100011934037 [0,2,0,0,0,0|2,0,0]=4 3568 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)C=O 271570a_100010780539_100000688028 [0,2,0,0,0,0|2,0,0]=4 3569 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)CC 271570a_100010780539_100009856026 [0,2,0,0,0,0|2,0,0]=4 3570 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)CN 271570a_100010780539_100016990191 [0,2,0,0,0,0|2,0,0]=4 3571 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)CO 271570a_100010780539_100000694195 [0,2,0,0,0,0|2,0,0]=4 3572 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)NC 271570a_100010780539_100000703281 [0,2,0,0,0,0|2,0,0]=4 3573 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)NN 271570a_100010780539_100009817029 [0,2,0,0,0,0|2,0,0]=4 3574 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)OC 271570a_100010780539_100000760917 [0,2,0,0,0,0|2,0,0]=4 3575 B17R2.311431 CCOC(=O)C1CC1c2cccc(n2)SC 271570a_100010780539_100011960944 [0,2,0,0,0,0|2,0,0]=4 3576 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)C#N 271570a_100010780539_100000685610 [0,2,0,0,0,0|2,0,0]=4 3577 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)C=O 271570a_100010780539_100011998288 [0,2,0,0,0,0|2,0,0]=4 3578 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)CC 271570a_100010780539_100009820011 [0,2,0,0,0,0|2,0,0]=4 3579 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)CN 271570a_100010780539_100000085674 [0,2,0,0,0,0|2,0,0]=4 3580 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)CO 271570a_100010780539_100009819072 [0,2,0,0,0,0|2,0,0]=4 3581 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)NC 271570a_100010780539_100009819592 [0,2,0,0,0,0|2,0,0]=4 3582 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)NN 271570a_100010780539_100000764631 [0,2,0,0,0,0|2,0,0]=4 3583 B17R2.311431 CCOC(=O)C1CC1c2ccnc(c2)OC 271570a_100010780539_100000117307 [0,2,0,0,0,0|2,0,0]=4 3584 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)C#N 271570a_100010780539_100000686085 [0,2,0,0,0,0|2,0,0]=4 3585 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)C=O 271570a_100010780539_100000687066 [0,2,0,0,0,0|2,0,0]=4 3586 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)CC 271570a_100010780539_200009819073 [0,2,0,0,0,0|2,0,0]=4 3587 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)CN 271570a_100010780539_100011249555 [0,2,0,0,0,0|2,0,0]=4 3588 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)CO 271570a_100010780539_100011259137 [0,2,0,0,0,0|2,0,0]=4 3589 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)NC 271570a_100010780539_100012184536 [0,2,0,0,0,0|2,0,0]=4 3590 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)NN 271570a_100010780539_100000727789 [0,2,0,0,0,0|2,0,0]=4 3591 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)OC 271570a_100010780539_100000684773 [0,2,0,0,0,0|2,0,0]=4 3592 B17R2.311431 CCOC(=O)C1CC1c2cncc(c2)SC 271570a_100010780539_100009816972 [0,2,0,0,0,0|2,0,0]=4 3593 B17R2.311431 CCOC(=O)[C@@H]1C[C@H]1c2cccc(c2)SC 62a_100103306034_200000210301 [0,2,0,0,0,0|1,0,0]=3 3594 B17R2.311431 CCOC(=O)[C@@H]1C[C@H]1c2cccc(c2)SC 62a_200000210301_100103306034 [0,2,0,0,0,0|1,0,0]=3 3595 B17R2.311431 CCOC(=O)[C@@H]1C[C@H]1c2cccc(c2)S[13CH3] 62a_100103306034_200025704644 [0,2,0,0,0,0|1,0,0]=3 3596 B17R2.311431 CCOC(=O)[C@@H]1C[C@H]1c2cccc(c2)S[13CH3] 62a_200025704644_100103306034 [0,2,0,0,0,0|1,0,0]=3 3597 B17R2.1045668 CCOC(=O)C1CC1c2cc([nH]c(=O)c2)C 271570a_100010780539_100009861981 [0,2,0,0,0,0|2,0,0]=4 3598 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Br)Br 271570a_100010780539_100009814770 [0,2,0,0,0,0|1,0,0]=3 3599 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Br)Cl 271570a_100010780539_100009814755 [0,2,0,0,0,0|1,0,0]=3 3600 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Br)F 271570a_100010780539_100009814764 [0,2,0,0,0,0|1,0,0]=3 3601 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Br)N 271570a_100010780539_100009814763 [0,2,0,0,0,0|1,0,0]=3 3602 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Br)O 271570a_100010780539_100010068917 [0,2,0,0,0,0|1,0,0]=3 3603 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)C)C 271570a_100010780539_100011215608 [0,2,0,0,0,0|1,0,0]=3 3604 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Cl)C 271570a_100010780539_100010172791 [0,2,0,0,0,0|1,0,0]=3 3605 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Cl)Cl 271570a_100010780539_100000747138 [0,2,0,0,0,0|1,0,0]=3 3606 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Cl)F 271570a_100010780539_100013859453 [0,2,0,0,0,0|1,0,0]=3 3607 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Cl)N 271570a_100010780539_100010147676 [0,2,0,0,0,0|1,0,0]=3 3608 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)Cl)O 271570a_100010780539_100010068924 [0,2,0,0,0,0|1,0,0]=3 3609 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)F)C 271570a_100010780539_100011356977 [0,2,0,0,0,0|1,0,0]=3 3610 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)F)F 271570a_100010780539_100011218498 [0,2,0,0,0,0|1,0,0]=3 3611 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)F)N 271570a_100010780539_100011356972 [0,2,0,0,0,0|1,0,0]=3 3612 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)F)O 271570a_100010780539_100000717995 [0,2,0,0,0,0|1,0,0]=3 3613 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)N)C 271570a_100010780539_100000695972 [0,2,0,0,0,0|1,0,0]=3 3614 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)N)N 271570a_100010780539_100011999608 [0,2,0,0,0,0|1,0,0]=3 3615 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)O)C 271570a_100010780539_100011999630 [0,2,0,0,0,0|1,0,0]=3 3616 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(c2)O)O 271570a_100010780539_100009868816 [0,2,0,0,0,0|1,0,0]=3 3617 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(n2)C)C 271570a_100010780539_100000069240 [0,2,0,0,0,0|2,0,0]=4 3618 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(n2)F)C 271570a_100010780539_100009819601 [0,2,0,0,0,0|2,0,0]=4 3619 B17R2.1045668 CCOC(=O)C1CC1c2cc(cc(n2)N)C 271570a_100010780539_100009819863 [0,2,0,0,0,0|2,0,0]=4 3620 B17R2.1045668 CCOC(=O)C1CC1c2cc(nc(c2)C)C 271570a_100010780539_100009816552 [0,2,0,0,0,0|2,0,0]=4 3621 B17R2.1045668 CCOC(=O)C1CC1c2cc(nc(c2)F)C 271570a_100010780539_100010006595 [0,2,0,0,0,0|2,0,0]=4 3622 B17R2.1045668 CCOC(=O)C1CC1c2cc(nc(c2)F)F 271570a_100010780539_100000049587 [0,2,0,0,0,0|2,0,0]=4 3623 B17R2.1045668 CCOC(=O)C1CC1c2cc(nc(c2)N)C 271570a_100010780539_100000076705 [0,2,0,0,0,0|2,0,0]=4 3624 B17R2.1045668 CCOC(=O)C1CC1c2cc(nc(c2)N)N 271570a_100010780539_100009816676 [0,2,0,0,0,0|2,0,0]=4 3625 B17R2.49403 CCOC(=O)C1CC1c2ccccc2C#N 271570a_100010780539_100000188569 [0,2,0,0,0,0|1,0,0]=3 3626 B17R2.49403 CCOC(=O)C1CC1c2ccccc2C=O 271570a_100010780539_100000211189 [0,2,0,0,0,0|1,0,0]=3 3627 B17R2.49403 CCOC(=O)C1CC1c2ccccc2CC 271570a_100010780539_100011215823 [0,2,0,0,0,0|1,0,0]=3 3628 B17R2.49403 CCOC(=O)C1CC1c2ccccc2CN 271570a_100010780539_100000689332 [0,2,0,0,0,0|1,0,0]=3 3629 B17R2.49403 CCOC(=O)C1CC1c2ccccc2CO 271570a_100010780539_100000187465 [0,2,0,0,0,0|1,0,0]=3 3630 B17R2.49403 CCOC(=O)C1CC1c2ccccc2NC 271570a_100010780539_100020606079 [0,2,0,0,0,0|1,0,0]=3 3631 B17R2.49403 CCOC(=O)C1CC1c2ccccc2NN 271570a_100010780539_100000241748 [0,2,0,0,0,0|1,0,0]=3 3632 B17R2.49403 CCOC(=O)C1CC1c2ccccc2OC 271570a_100010780539_100000174000 [0,2,0,0,0,0|1,0,0]=3 3633 B17R2.49403 CCOC(=O)C1CC1c2ccccc2SC 271570a_100010780539_100011217816 [0,2,0,0,0,0|1,0,0]=3 3634 B17R2.49403 CCOC(=O)C1CC1c2cccnc2C#N 271570a_100010780539_100000685805 [0,2,0,0,0,0|2,0,0]=4 3635 B17R2.49403 CCOC(=O)C1CC1c2cccnc2C=O 271570a_100010780539_100011934733 [0,2,0,0,0,0|2,0,0]=4 3636 B17R2.49403 CCOC(=O)C1CC1c2cccnc2CC 271570a_100010780539_100009877225 [0,2,0,0,0,0|2,0,0]=4 3637 B17R2.49403 CCOC(=O)C1CC1c2cccnc2CN 271570a_100010780539_100020591323 [0,2,0,0,0,0|2,0,0]=4 3638 B17R2.49403 CCOC(=O)C1CC1c2cccnc2CO 271570a_100010780539_100011996772 [0,2,0,0,0,0|2,0,0]=4 3639 B17R2.49403 CCOC(=O)C1CC1c2cccnc2NC 271570a_100010780539_100000700899 [0,2,0,0,0,0|2,0,0]=4 3640 B17R2.49403 CCOC(=O)C1CC1c2cccnc2NN 271570a_100010780539_100011464834 [0,2,0,0,0,0|2,0,0]=4 3641 B17R2.49403 CCOC(=O)C1CC1c2cccnc2OC 271570a_100010780539_100000047025 [0,2,0,0,0,0|2,0,0]=4 3642 B17R2.49403 CCOC(=O)C1CC1c2cccnc2SC 271570a_100010780539_100011465278 [0,2,0,0,0,0|2,0,0]=4 3643 B17R2.49403 CCOC(=O)C1CC1c2ccncc2C#N 271570a_100010780539_100000687039 [0,2,0,0,0,0|2,0,0]=4 3644 B17R2.49403 CCOC(=O)C1CC1c2ccncc2C=O 271570a_100010780539_100000050567 [0,2,0,0,0,0|2,0,0]=4 3645 B17R2.49403 CCOC(=O)C1CC1c2ccncc2CC 271570a_100010780539_100025704421 [0,2,0,0,0,0|2,0,0]=4 3646 B17R2.49403 CCOC(=O)C1CC1c2ccncc2CO 271570a_100010780539_100000117392 [0,2,0,0,0,0|2,0,0]=4 3647 B17R2.49403 CCOC(=O)C1CC1c2ccncc2OC 271570a_100010780539_100016988167 [0,2,0,0,0,0|2,0,0]=4 3648 B17R2.49403 CCOC(=O)C1CC1c2cnccc2C#N 271570a_100010780539_100000684818 [0,2,0,0,0,0|2,0,0]=4 3649 B17R2.49403 CCOC(=O)C1CC1c2cnccc2C=O 271570a_100010780539_100011934409 [0,2,0,0,0,0|2,0,0]=4 3650 B17R2.49403 CCOC(=O)C1CC1c2cnccc2CC 271570a_100010780539_100009819861 [0,2,0,0,0,0|2,0,0]=4 3651 B17R2.49403 CCOC(=O)C1CC1c2cnccc2CN 271570a_100010780539_100020640021 [0,2,0,0,0,0|2,0,0]=4 3652 B17R2.49403 CCOC(=O)C1CC1c2cnccc2CO 271570a_100010780539_100009873359 [0,2,0,0,0,0|2,0,0]=4 3653 B17R2.49403 CCOC(=O)C1CC1c2cnccc2NC 271570a_100010780539_100010069531 [0,2,0,0,0,0|2,0,0]=4 3654 B17R2.49403 CCOC(=O)C1CC1c2cnccc2NN 271570a_100010780539_100013404636 [0,2,0,0,0,0|2,0,0]=4 3655 B17R2.49403 CCOC(=O)C1CC1c2cnccc2OC 271570a_100010780539_100011997281 [0,2,0,0,0,0|2,0,0]=4 3656 B17R2.49403 CCOC(=O)C1CC1c2ncccc2C#N 271570a_100010780539_100000211984 [0,2,0,0,0,0|2,0,0]=4 3657 B17R2.49403 CCOC(=O)C1CC1c2ncccc2C=O 271570a_100010780539_100009816751 [0,2,0,0,0,0|2,0,0]=4 3658 B17R2.49403 CCOC(=O)C1CC1c2ncccc2CN 271570a_100010780539_100015189234 [0,2,0,0,0,0|2,0,0]=4 3659 B17R2.49403 CCOC(=O)C1CC1c2ncccc2CO 271570a_100010780539_100000748726 [0,2,0,0,0,0|2,0,0]=4 3660 B17R2.49403 CCOC(=O)C1CC1c2ncccc2NC 271570a_100010780539_200011806188 [0,2,0,0,0,0|2,0,0]=4 3661 B17R2.49403 CCOC(=O)C1CC1c2ncccc2OC 271570a_100010780539_100000690851 [0,2,0,0,0,0|2,0,0]=4 3662 B17R2.319609 CCOC(=O)C1CC1c2c(ccc[n+]2[O-])C 271570a_100010780539_100116209805 [0,2,0,0,0,0|2,0,0]=4 3663 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Br)Br 271570a_100010780539_100009994525 [0,2,0,0,0,0|1,0,0]=3 3664 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Br)Cl 271570a_100010780539_100010214488 [0,2,0,0,0,0|1,0,0]=3 3665 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Br)F 271570a_100010780539_100011219512 [0,2,0,0,0,0|1,0,0]=3 3666 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Br)N 271570a_100010780539_100020590159 [0,2,0,0,0,0|1,0,0]=3 3667 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Br)O 271570a_100010780539_100010187912 [0,2,0,0,0,0|1,0,0]=3 3668 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2C)C 271570a_100010780539_100000033847 [0,2,0,0,0,0|1,0,0]=3 3669 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Cl)C 271570a_100010780539_100000043165 [0,2,0,0,0,0|1,0,0]=3 3670 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Cl)Cl 271570a_100010780539_100000034237 [0,2,0,0,0,0|1,0,0]=3 3671 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Cl)F 271570a_100010780539_100000050007 [0,2,0,0,0,0|1,0,0]=3 3672 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Cl)N 271570a_100010780539_100000049713 [0,2,0,0,0,0|1,0,0]=3 3673 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2Cl)O 271570a_100010780539_100000050174 [0,2,0,0,0,0|1,0,0]=3 3674 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2F)C 271570a_100010780539_100012349962 [0,2,0,0,0,0|1,0,0]=3 3675 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2F)F 271570a_100010780539_100000693133 [0,2,0,0,0,0|1,0,0]=3 3676 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2F)N 271570a_100010780539_100011934729 [0,2,0,0,0,0|1,0,0]=3 3677 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2F)O 271570a_100010780539_100009820682 [0,2,0,0,0,0|1,0,0]=3 3678 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2N)C 271570a_100010780539_100000684715 [0,2,0,0,0,0|1,0,0]=3 3679 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2O)C 271570a_100010780539_100000686692 [0,2,0,0,0,0|1,0,0]=3 3680 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2O)N 271570a_100010780539_100012183704 [0,2,0,0,0,0|1,0,0]=3 3681 B17R2.319609 CCOC(=O)C1CC1c2c(cccc2O)O 271570a_100010780539_100010205330 [0,2,0,0,0,0|1,0,0]=3 3682 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2C)C 271570a_100010780539_100012000501 [0,2,0,0,0,0|2,0,0]=4 3683 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2C)N 271570a_100010780539_100010243816 [0,2,0,0,0,0|2,0,0]=4 3684 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2F)C 271570a_100010780539_100009818256 [0,2,0,0,0,0|2,0,0]=4 3685 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2F)F 271570a_100010780539_100009874084 [0,2,0,0,0,0|2,0,0]=4 3686 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2F)N 271570a_100010780539_100010381272 [0,2,0,0,0,0|2,0,0]=4 3687 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2N)C 271570a_100010780539_100011998619 [0,2,0,0,0,0|2,0,0]=4 3688 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2N)Cl 271570a_100010780539_100010199028 [0,2,0,0,0,0|2,0,0]=4 3689 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2O)C 271570a_100010780539_100012000493 [0,2,0,0,0,0|2,0,0]=4 3690 B17R2.319609 CCOC(=O)C1CC1c2c(ccnc2O)O 271570a_100010780539_200009817435 [0,2,0,0,0,0|2,0,0]=4 3691 B17R2.319609 CCOC(=O)C1CC1c2c(cncc2Br)Br 271570a_100010780539_100010172828 [0,2,0,0,0,0|2,0,0]=4 3692 B17R2.319609 CCOC(=O)C1CC1c2c(cncc2C)C 271570a_100010780539_100009817138 [0,2,0,0,0,0|2,0,0]=4 3693 B17R2.319609 CCOC(=O)C1CC1c2c(cncc2Cl)Cl 271570a_100010780539_100000036193 [0,2,0,0,0,0|2,0,0]=4 3694 B17R2.319609 CCOC(=O)C1CC1c2c(cncc2F)F 271570a_100010780539_100000760538 [0,2,0,0,0,0|2,0,0]=4 3695 B13R0.39 C=CC=CC(=O)C(C)CC(=O)OCC 1458a_100016291481_100009817359 [0,0,2,0,0,0|2,0,0]=4 3696 B13R0.175 C=CC=CC(=O)CCCC(=O)OCC 1458a_100016291481_100011215271 [0,0,2,0,0,0|2,0,0]=4 3697 B15R2.395 CN(c1ccccc1)C2CCOC2=O 2230a_100000210012_100000211211 [0,0,1,1,0,0|2,0,0]=4 3698 B15R2.395 CN(c1ccccc1)C2CCOC2=O 269982a_100000210012_100000211211 [0,0,1,1,0,0|2,0,0]=4 3699 B15R2.395 CN(c1ccccc1)C2CCOC2=O 34a_100000210012_100000211211 [0,0,1,1,0,0|2,0,0]=4 3700 B15R2.395 O=C1OCCC1C(=O)c2ccccc2 1458a_100000185807_100000211211 [0,0,1,1,0,0|0,0,2]=4 3701 B15R2.41154 CC(CC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000756946 [0,0,1,1,0,0|2,0,0]=4 3702 B15R2.41154 O=C(CC(O)c1ccccc1)C2CC2 1458a_100000210395_100000185958 [0,0,1,1,0,0|1,0,0]=3 3703 B15R2.41154 O=C(CC(O)c1ccccc1)C2CO2 1458a_100000701028_100000185958 [0,0,1,1,0,0|2,0,0]=4 3704 B15R2.41154 O=C(C[C@@H](O)c1ccccc1)C2CC2 1458a_100000210395_100011933945 [0,0,1,1,0,0|1,0,0]=3 3705 B15R2.41154 O=C(C[C@@H](O)c1ccccc1)C2CO2 1458a_100000701028_100011933945 [0,0,1,1,0,0|2,0,0]=4 3706 B15R2.325 CC1CC(C(=O)O1)Nc2ccccc2 34a_100000106764_200000216747 [0,0,1,1,0,0|2,0,0]=4 3707 B15R2.325 CC1CC(C(=O)O1)Oc2ccccc2 34a_100000210340_200000216747 [0,0,1,1,0,0|2,0,0]=4 3708 B15R2.325 CC1CC(C(=O)O1)Oc2ccccc2 7a_100000210340_200000216747 [0,0,1,1,0,0|2,0,0]=4 3709 B15R2.325 CC1CC(C(=O)O1)Sc2ccccc2 62a_100000719477_200000216747 [0,0,1,1,0,0|2,0,0]=4 3710 B15R2.325 CC1CC(C(=O)O1)Sc2ccccc2 62a_200000216747_100000041952 [0,0,1,1,0,0|2,0,0]=4 3711 B15R2.1356 CCCC(=O)C1Cc2ccccc2C1 1458a_100000211992_100000753484 [0,0,1,1,0,0|2,0,0]=4 3712 B15R2.1356 CCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000210303 [0,0,1,1,0,0|2,0,0]=4 3713 B15R2.1356 CCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210303 [0,0,1,1,0,0|1,0,0]=3 3714 B15R2.1356 CCCC(=O)C1Cc2ccccc2S1 1458a_100000024912_100000210303 [0,0,1,1,0,0|1,1,0]=4 3715 B15R2.1356 CCNC(=O)C1Cc2ccccc2C1 11a_100015525214_100000685393 [0,0,1,1,0,0|2,0,0]=4 3716 B15R2.1356 CCNC(=O)C1Cc2ccccc2C1 240690a_100015525214_100000685393 [0,0,1,1,0,0|2,0,0]=4 3717 B15R2.1356 CCNC(=O)C1Cc2ccccc2C1 527a_100015525214_100000685393 [0,0,1,1,0,0|2,0,0]=4 3718 B15R2.1356 CCNC(=O)C1Cc2ccccc2O1 11a_100015525214_100000209886 [0,0,1,1,0,0|1,0,0]=3 3719 B15R2.1356 CCNC(=O)C1Cc2ccccc2O1 240690a_100015525214_100000209886 [0,0,1,1,0,0|1,0,0]=3 3720 B15R2.1356 CCNC(=O)C1Cc2ccccc2O1 527a_100015525214_100000209886 [0,0,1,1,0,0|1,0,0]=3 3721 B15R2.1356 CCNC(=O)C1Cc2ccccc2S1 11a_100015525214_100000024912 [0,0,1,1,0,0|1,1,0]=4 3722 B15R2.1356 CCNC(=O)C1Cc2ccccc2S1 240690a_100015525214_100000024912 [0,0,1,1,0,0|1,1,0]=4 3723 B15R2.1356 CCNC(=O)C1Cc2ccccc2S1 527a_100015525214_100000024912 [0,0,1,1,0,0|1,1,0]=4 3724 B15R2.1356 CNNC(=O)C1Cc2ccccc2O1 22a_100016993582_100000209886 [0,0,1,1,0,0|2,0,0]=4 3725 B15R2.1356 O=C(CCF)C1Cc2ccccc2O1 1458a_100000209886_100011217306 [0,0,1,1,0,0|2,0,0]=4 3726 B15R2.1356 O=C(CCO)C1Cc2ccccc2O1 1458a_100000209886_100000211926 [0,0,1,1,0,0|2,0,0]=4 3727 B15R2.16454 CC(Cc1ccccc1)C(=O)C2CC2 1458a_100000210395_200011218536 [0,0,1,1,0,0|2,0,0]=4 3728 B15R2.31 O=C1CN(CCN1)Cc2ccccc2 2230a_100000184651_100015291786 [0,0,1,1,0,0|2,0,0]=4 3729 B15R2.31 O=C1CN(CCN1)Cc2ccccc2 270004a_100000184651_100015611070 [0,0,1,1,0,0|2,0,0]=4 3730 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 2230a_100000131268_100015291786 [0,0,1,1,0,0|1,0,0]=3 3731 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 270004a_100000131268_100015611070 [0,0,1,1,0,0|1,0,0]=3 3732 B15R2.31 O=C1CN(CCO1)Cc2ccccn2 2230a_100000131268_100000721315 [0,0,1,1,0,0|2,0,0]=4 3733 B15R2.31 O=C1CN(CCO1)Cc2ccccn2 270004a_100000131268_100000209966 [0,0,1,1,0,0|2,0,0]=4 3734 B15R2.31 O=C1CN(CCO1)Cc2cccnc2 2230a_100000131268_100000741622 [0,0,1,1,0,0|2,0,0]=4 3735 B15R2.31 O=C1CN(CCO1)Cc2cccnc2 270004a_100000131268_100000209961 [0,0,1,1,0,0|2,0,0]=4 3736 B15R2.31 O=C1CN(CCO1)Cc2ccncc2 2230a_100000131268_100015193705 [0,0,1,1,0,0|2,0,0]=4 3737 B15R2.55 O=C1CCCC1NCc2ccccc2 2230a_100015324214_100000211823 [0,0,1,1,0,0|2,0,0]=4 3738 B15R2.55 O=C1CCCC1NCc2ccccc2 34a_100015324214_100000709159 [0,0,1,1,0,0|2,0,0]=4 3739 B15R2.55 O=C1CCCC1OCc2ccccc2 34a_100000210790_100000709159 [0,0,1,1,0,0|1,0,0]=3 3740 B15R2.55 O=C1CCCC1OCc2ccccc2 34a_200000719330_100015291786 [0,0,1,1,0,0|1,0,0]=3 3741 B15R2.55 O=C1CCCC1OCc2ccccc2 7a_100000210790_100000211823 [0,0,1,1,0,0|1,0,0]=3 3742 B15R2.55 O=C1CCCC1OCc2ccccn2 34a_200000719330_100000721315 [0,0,1,1,0,0|2,0,0]=4 3743 B15R2.55 O=C1CCCC1OCc2cccnc2 34a_200000719330_100000733263 [0,0,1,1,0,0|2,0,0]=4 3744 B15R2.55 O=C1CCCC1SCc2ccccc2 62a_100000211182_100000211823 [0,0,1,1,0,0|1,1,0]=4 3745 B15R2.55 O=C1CCCC1SCc2ccccc2 62a_100000211823_100015291786 [0,0,1,1,0,0|1,1,0]=4 3746 B15R2.55 O=C1NCCC1NCc2ccccc2 2230a_100016995588_100015291786 [0,0,1,1,0,0|2,0,0]=4 3747 B15R2.55 O=C1NCCC1NCc2ccccc2 270004a_100016995588_100015611070 [0,0,1,1,0,0|2,0,0]=4 3748 B15R2.55 O=C1NCCC1NCc2ccccc2 34a_100016995588_100015291786 [0,0,1,1,0,0|2,0,0]=4 3749 B15R2.55 O=C1NCC[C@@H]1OCc2ccccc2 34a_100000688343_100015291786 [0,0,1,1,0,0|1,0,0]=3 3750 B15R2.55 O=C1NCC[C@@H]1OCc2ccccn2 34a_100000688343_100000721315 [0,0,1,1,0,0|2,0,0]=4 3751 B15R2.55 O=C1NCC[C@@H]1OCc2cccnc2 34a_100000688343_100000733263 [0,0,1,1,0,0|2,0,0]=4 3752 B15R2.55 O=C1OCCC1NCc2ccccc2 2230a_100015324214_100000211211 [0,0,1,1,0,0|1,0,0]=3 3753 B15R2.55 O=C1OCCC1NCc2ccccc2 34a_100015324214_100000211211 [0,0,1,1,0,0|1,0,0]=3 3754 B15R2.55 O=C1OCCC1OCc2ccccc2 34a_100000210790_100000211211 [0,0,1,1,0,0|0,0,0]=2 3755 B15R2.55 O=C1OCCC1OCc2ccccc2 7a_100000210790_100000211211 [0,0,1,1,0,0|0,0,0]=2 3756 B15R2.55 O=C1OCCC1SCc2ccccc2 62a_100000211182_100000211211 [0,0,1,1,0,0|0,1,0]=3 3757 B15R2.55 O=C1OCCC1SCc2ccccc2 62a_100000211211_100015291786 [0,0,1,1,0,0|0,1,0]=3 3758 B15R2.55 O=C1OCCC1SCc2ccccn2 62a_100000211211_100000721315 [0,0,1,1,0,0|1,1,0]=4 3759 B15R2.55 O=C1OCCC1SCc2ccccn2 62a_100000721315_100000211211 [0,0,1,1,0,0|1,1,0]=4 3760 B15R2.55 O=C1OCCC1SCc2cccnc2 62a_100000211211_100000741622 [0,0,1,1,0,0|1,1,0]=4 3761 B15R2.55 O=C1OCCC1SCc2cccnc2 62a_100000741622_100000211211 [0,0,1,1,0,0|1,1,0]=4 3762 B15R2.55 O=C1OCCC1SCc2ccncc2 62a_100000211211_100015193705 [0,0,1,1,0,0|1,1,0]=4 3763 B15R2.55 O=C1OCCC1SCc2ccncc2 62a_100015193705_100000211211 [0,0,1,1,0,0|1,1,0]=4 3764 B15R2.73 CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210303 [0,0,1,1,0,0|2,0,0]=4 3765 B15R2.73 CCNC(=O)C1CCc2c1cccc2 11a_100015525214_100000750891 [0,0,1,1,0,0|2,0,0]=4 3766 B15R2.73 CCNC(=O)C1CCc2c1cccc2 240690a_100015525214_100000750891 [0,0,1,1,0,0|2,0,0]=4 3767 B15R2.73 CCNC(=O)C1CCc2c1cccc2 527a_100015525214_100000750891 [0,0,1,1,0,0|2,0,0]=4 3768 B15R2.2196 c1ccc(cc1)COCC2=NCCN2 34a_100000210790_100000737910 [0,0,1,1,0,0|2,0,0]=4 3769 B15R2.2196 c1ccc(cc1)COCC2=NCCN2 7a_100000210790_100000737910 [0,0,1,1,0,0|2,0,0]=4 3770 B15R2.2196 c1ccc(cc1)COCC2CCCO2 34a_100000210270_100015291786 [0,0,1,1,0,0|1,0,1]=4 3771 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210270_100000211182 [0,0,1,1,0,0|1,0,1]=4 3772 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210790_100000203698 [0,0,1,1,0,0|1,0,1]=4 3773 B15R2.2196 c1ccc(cc1)COCC2OCCO2 34a_100000087154_100015291786 [0,0,1,1,0,0|0,0,2]=4 3774 B15R2.2196 c1ccc(cc1)COCC2OCCO2 34a_100000210790_100000755774 [0,0,1,1,0,0|0,0,2]=4 3775 B15R2.2196 c1ccc(cc1)COCC2OCCO2 7a_100000210790_100000755774 [0,0,1,1,0,0|0,0,2]=4 3776 B15R2.16438 O=C(CCCc1ccccc1)C2CC2 1458a_100000210395_100000211621 [0,0,1,1,0,0|2,0,0]=4 3777 B15R2.16438 O=C(CNCc1ccccc1)C2CC2 2230a_100015324214_100000746382 [0,0,1,1,0,0|2,0,0]=4 3778 B15R2.16438 O=C(CNCc1ccccc1)C2CC2 34a_100015324214_100000746382 [0,0,1,1,0,0|2,0,0]=4 3779 B15R2.16438 O=C(COCc1ccccc1)C2CC2 34a_100000210790_100000746382 [0,0,1,1,0,0|1,0,0]=3 3780 B15R2.16438 O=C(COCc1ccccc1)C2CC2 34a_100000686663_100015291786 [0,0,1,1,0,0|1,0,0]=3 3781 B15R2.16438 O=C(COCc1ccccc1)C2CC2 7a_100000210790_100000746382 [0,0,1,1,0,0|1,0,0]=3 3782 B15R2.16438 O=C(COCc1ccccn1)C2CC2 34a_100000686663_100000721315 [0,0,1,1,0,0|2,0,0]=4 3783 B15R2.16438 O=C(COCc1cccnc1)C2CC2 34a_100000686663_100000733263 [0,0,1,1,0,0|2,0,0]=4 3784 B15R2.16438 O=C(CSCc1ccccc1)C2CC2 1458a_100000210395_200011217039 [0,0,1,1,0,0|1,1,0]=4 3785 B15R2.16438 O=C(CSCc1ccccc1)C2CC2 62a_100000211182_100000746382 [0,0,1,1,0,0|1,1,0]=4 3786 B15R2.16438 O=C(CSCc1ccccc1)C2CC2 62a_100000746382_100015291786 [0,0,1,1,0,0|1,1,0]=4 3787 B17R3.483823 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC3 11a_100020588832_100000210395 [0,0,0,1,0,1|2,0,0]=4 3788 B17R3.483823 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC3 1626a_100020588832_100000210395 [0,0,0,1,0,1|2,0,0]=4 3789 B17R3.483823 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC3 240690a_100020588832_100000210395 [0,0,0,1,0,1|2,0,0]=4 3790 B17R3.483823 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC3 527a_100020588832_100000210395 [0,0,0,1,0,1|2,0,0]=4 3791 B17R3.7012 O=C(C1CCC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000749161 [0,1,0,1,0,0|2,0,0]=4 3792 B17R3.7012 O=C(C1COC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000687716 [0,1,0,1,0,0|2,0,0]=4 3793 B17R3.7012 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCC3 11a_100000754969_100009815801 [0,1,0,1,0,0|2,0,0]=4 3794 B17R3.7012 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCC3 240690a_100000754969_100009815801 [0,1,0,1,0,0|2,0,0]=4 3795 B17R3.7012 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCC3 527a_100000754969_100009815801 [0,1,0,1,0,0|2,0,0]=4 3796 B17R3.128614 O=C(CC1CC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000742324 [0,1,0,1,0,0|2,0,0]=4 3797 B17R3.128614 O=C(CC1CO1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100011216344 [0,1,0,1,0,0|2,0,0]=4 3798 B17R3.128614 O=C(CC1CS1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000031435 [0,1,0,1,0,0|2,0,0]=4 3799 B17R3.128614 O=C(C[C@@H]1CO1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000745022 [0,1,0,1,0,0|2,0,0]=4 3800 B17R3.128614 O=C(NC1CC1)[C@@H]2C[C@H]2c3ccccc3 240690a_100000212008_100009815801 [0,1,0,1,0,0|2,0,0]=4 3801 B17R3.128614 O=C(NC1CC1)[C@@H]2C[C@H]2c3ccccc3 527a_100000212008_100009815801 [0,1,0,1,0,0|2,0,0]=4 3802 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,0,1,0,1,0|2,0,0]=4 3803 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,0,1,0,1,0|2,0,0]=4 3804 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,0,1,0,1,0|2,0,0]=4 3805 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,0,1,0,1,0|1,0,0]=3 3806 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,0,1,0,1,0|2,0,0]=4 3807 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,0,1,0,1,0|2,0,0]=4 3808 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,0,1,0,1,0|2,0,0]=4 3809 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,0,1,0,1,0|2,0,0]=4 3810 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,0,1,0,1,0|2,0,0]=4 3811 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,0,1,0,1,0|2,0,0]=4 3812 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,0,1,0,1,0|1,0,0]=3 3813 B13R1.47 CNNC(=O)[C@H](O)c1ccccc1 22a_100016993582_100000684486 [0,0,1,0,1,0|2,0,0]=4 3814 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,0,1,0,1,0|2,0,0]=4 3815 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,0,1,0,1,0|2,0,0]=4 3816 B13R1.404 CCNC(=O)COCc1ccco1 34a_100000210059_100000183381 [0,0,1,0,1,0|2,0,0]=4 3817 B13R1.404 CCNC(=O)COCc1cccs1 34a_100000211240_100000183381 [0,0,1,0,1,0|2,0,0]=4 3818 B13R1.404 CCNC(=O)COCc1ccoc1 34a_100011215357_100000183381 [0,0,1,0,1,0|2,0,0]=4 3819 B13R1.404 CCNC(=O)COCc1ccsc1 34a_100011215551_100000183381 [0,0,1,0,1,0|2,0,0]=4 3820 B13R1.404 CCOC(=O)CNCc1ccco1 2230a_100000185738_100000188475 [0,0,1,0,1,0|2,0,0]=4 3821 B13R1.404 CCOC(=O)CNCc1ccco1 34a_100000185738_100000188475 [0,0,1,0,1,0|2,0,0]=4 3822 B13R1.404 CCOC(=O)CNCc1cccs1 2230a_100000211653_100000188475 [0,0,1,0,1,0|2,0,0]=4 3823 B13R1.404 CCOC(=O)CNCc1ccoc1 2230a_100015206860_100000188475 [0,0,1,0,1,0|2,0,0]=4 3824 B13R1.404 CCOC(=O)CNCc1ccoc1 34a_100015206860_100000188475 [0,0,1,0,1,0|2,0,0]=4 3825 B13R1.404 CCOC(=O)CNCc1ccsc1 2230a_100000186416_100000188475 [0,0,1,0,1,0|2,0,0]=4 3826 B13R1.404 CCOC(=O)CNCc1ccsc1 34a_100000186416_100000188475 [0,0,1,0,1,0|2,0,0]=4 3827 B13R1.404 CCOC(=O)COCc1ccco1 34a_100000210059_100000188475 [0,0,1,0,1,0|1,0,0]=3 3828 B13R1.404 CCOC(=O)COCc1cccs1 34a_100000211240_100000188475 [0,0,1,0,1,0|1,0,0]=3 3829 B13R1.404 CCOC(=O)COCc1ccno1 34a_100000740478_100000188475 [0,0,1,0,1,0|2,0,0]=4 3830 B13R1.404 CCOC(=O)COCc1ccoc1 34a_100011215357_100000188475 [0,0,1,0,1,0|1,0,0]=3 3831 B13R1.404 CCOC(=O)COCc1ccsc1 34a_100011215551_100000188475 [0,0,1,0,1,0|1,0,0]=3 3832 B13R1.404 CCOC(=O)COCc1ncco1 34a_100000062594_100000188475 [0,0,1,0,1,0|2,0,0]=4 3833 B13R1.404 CCOC(=O)COCn1cccn1 34a_100000731028_100000188475 [0,0,1,0,1,0|2,0,0]=4 3834 B13R1.404 CCOC(=O)CSCc1ccsc1 62a_100000188475_100011233845 [0,0,1,0,1,0|1,1,0]=4 3835 B13R1.404 CCOC(=O)CSCc1ccsc1 62a_100011261437_100000188475 [0,0,1,0,1,0|1,1,0]=4 3836 B15R1.778 C=COC(=O)COCCc1ccccc1 34a_100000210268_100000036128 [0,0,1,0,0,1|0,0,2]=4 3837 B15R1.778 CC#CC(=O)CCOCc1ccccc1 1458a_100000763181_100000234347 [0,0,1,0,0,1|1,0,1]=4 3838 B15R1.778 CC=CC(=O)CCOCc1ccccc1 1458a_100000210699_100000234347 [0,0,1,0,0,1|1,0,1]=4 3839 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100000211992_100000701786 [0,0,1,0,0,1|2,0,0]=4 3840 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210303 [0,0,1,0,0,1|2,0,0]=4 3841 B15R1.778 CCCC(=O)CCCOc1ccccc1 1458a_100000211992_100000199009 [0,0,1,0,0,1|2,0,0]=4 3842 B15R1.778 CCCC(=O)CCCOc1ccccc1 1458a_100000212059_100000210303 [0,0,1,0,0,1|2,0,0]=4 3843 B15R1.778 CCCC(=O)CCCSc1ccccc1 1458a_100000182835_100000210303 [0,0,1,0,0,1|2,0,0]=4 3844 B15R1.778 CCCC(=O)CCCSc1ccccc1 1458a_100000211992_200011203293 [0,0,1,0,0,1|2,0,0]=4 3845 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000211992_100000234347 [0,0,1,0,0,1|1,0,0]=3 3846 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210303 [0,0,1,0,0,1|1,0,0]=3 3847 B15R1.778 CCCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210303 [0,0,1,0,0,1|1,1,0]=4 3848 B15R1.778 CCCC(=O)CCSCc1ccccc1 1458a_100000211992_200011297719 [0,0,1,0,0,1|1,1,0]=4 3849 B15R1.778 CCCC(=O)CNCCc1ccccc1 2230a_100000106460_100000747444 [0,0,1,0,0,1|2,0,0]=4 3850 B15R1.778 CCCC(=O)COCCc1ccccc1 7a_100000210268_100000747444 [0,0,1,0,0,1|1,0,0]=3 3851 B15R1.778 CCCC(=O)CSCCc1ccccc1 62a_100000747444_100011218657 [0,0,1,0,0,1|1,1,0]=4 3852 B15R1.778 CCCC(=O)CSCCc1ccccc1 62a_100000765856_100000747444 [0,0,1,0,0,1|1,1,0]=4 3853 B15R1.778 CCCC(=O)CSCSc1ccccc1 62a_100000747444_100011218342 [0,0,1,0,0,1|1,1,0]=4 3854 B15R1.778 CCCC(=O)CSCSc1ccccc1 62a_100011218342_100000747444 [0,0,1,0,0,1|1,1,0]=4 3855 B15R1.778 CCCC(=O)NCCCc1ccccc1 11a_100000211184_100000211992 [0,0,1,0,0,1|2,0,0]=4 3856 B15R1.778 CCCC(=O)NCCCc1ccccc1 1626a_100000211184_100000211992 [0,0,1,0,0,1|2,0,0]=4 3857 B15R1.778 CCCC(=O)NCCCc1ccccc1 240690a_100000211184_100000211992 [0,0,1,0,0,1|2,0,0]=4 3858 B15R1.778 CCCC(=O)NCCCc1ccccc1 527a_100000211184_100000211992 [0,0,1,0,0,1|2,0,0]=4 3859 B15R1.778 CCCC(=O)OCNCc1ccccc1 2230a_100015324214_100000034017 [0,0,1,0,0,1|2,0,0]=4 3860 B15R1.778 CCCC(=O)OCNCc1ccccc1 34a_100015324214_100000034017 [0,0,1,0,0,1|2,0,0]=4 3861 B15R1.778 CCCC(=O)OCOCc1ccccc1 34a_100000210790_100000034017 [0,0,1,0,0,1|1,0,0]=3 3862 B15R1.778 CCCC(=O)OCSCc1ccccc1 62a_100000211182_100000034017 [0,0,1,0,0,1|1,1,0]=4 3863 B15R1.778 CCNC(=O)CCCCc1ccccc1 11a_100015525214_100011215911 [0,0,1,0,0,1|2,0,0]=4 3864 B15R1.778 CCNC(=O)CCCCc1ccccc1 240690a_100015525214_100011215911 [0,0,1,0,0,1|2,0,0]=4 3865 B15R1.778 CCNC(=O)CCCCc1ccccc1 527a_100015525214_100011215911 [0,0,1,0,0,1|2,0,0]=4 3866 B15R1.778 CCNC(=O)CCCOc1ccccc1 11a_100015525214_100000212059 [0,0,1,0,0,1|2,0,0]=4 3867 B15R1.778 CCNC(=O)CCCOc1ccccc1 240690a_100015525214_100000212059 [0,0,1,0,0,1|2,0,0]=4 3868 B15R1.778 CCNC(=O)CCCOc1ccccc1 527a_100015525214_100000212059 [0,0,1,0,0,1|2,0,0]=4 3869 B15R1.778 CCNC(=O)CCCSc1ccccc1 11a_100015525214_100000182835 [0,0,1,0,0,1|2,0,0]=4 3870 B15R1.778 CCNC(=O)CCCSc1ccccc1 240690a_100015525214_100000182835 [0,0,1,0,0,1|2,0,0]=4 3871 B15R1.778 CCNC(=O)CCCSc1ccccc1 527a_100015525214_100000182835 [0,0,1,0,0,1|2,0,0]=4 3872 B15R1.778 CCNC(=O)CCNCc1ccccc1 207a_100025743525_100015611070 [0,0,1,0,0,1|2,0,0]=4 3873 B15R1.778 CCNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737597 [0,0,1,0,0,1|2,0,0]=4 3874 B15R1.778 CCNC(=O)CCNCc1ccccc1 270004a_100025743525_100015611070 [0,0,1,0,0,1|2,0,0]=4 3875 B15R1.778 CCNC(=O)CCNCc1ccccc1 34a_100025743525_100015291786 [0,0,1,0,0,1|2,0,0]=4 3876 B15R1.778 CCNC(=O)CCOCc1ccccc1 11a_100015525214_100000743319 [0,0,1,0,0,1|1,0,0]=3 3877 B15R1.778 CCNC(=O)CCOCc1ccccc1 240690a_100015525214_100000743319 [0,0,1,0,0,1|1,0,0]=3 3878 B15R1.778 CCNC(=O)CCOCc1ccccc1 527a_100015525214_100000743319 [0,0,1,0,0,1|1,0,0]=3 3879 B15R1.778 CCNC(=O)CCOCc1ccccc1 7a_100000210790_100000737597 [0,0,1,0,0,1|1,0,0]=3 3880 B15R1.778 CCNC(=O)CCSCc1ccccc1 11a_100015525214_100000173759 [0,0,1,0,0,1|1,1,0]=4 3881 B15R1.778 CCNC(=O)CCSCc1ccccc1 240690a_100015525214_100000173759 [0,0,1,0,0,1|1,1,0]=4 3882 B15R1.778 CCNC(=O)CCSCc1ccccc1 527a_100015525214_100000173759 [0,0,1,0,0,1|1,1,0]=4 3883 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000211182_100000737597 [0,0,1,0,0,1|1,1,0]=4 3884 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000737597_100015291786 [0,0,1,0,0,1|1,1,0]=4 3885 B15R1.778 CCNC(=O)CNCCc1ccccc1 2230a_100000106460_100000183381 [0,0,1,0,0,1|2,0,0]=4 3886 B15R1.778 CCNC(=O)CNCCc1ccccc1 2230a_100016988866_100000765856 [0,0,1,0,0,1|2,0,0]=4 3887 B15R1.778 CCNC(=O)CNCCc1ccccc1 34a_100000106460_100000183381 [0,0,1,0,0,1|2,0,0]=4 3888 B15R1.778 CCNC(=O)CNCSc1ccccc1 2230a_100016988866_100011218342 [0,0,1,0,0,1|2,0,0]=4 3889 B15R1.778 CCNC(=O)COCCc1ccccc1 34a_100000210268_100000183381 [0,0,1,0,0,1|1,0,0]=3 3890 B15R1.778 CCNC(=O)COCCc1ccccc1 7a_100000210268_100000183381 [0,0,1,0,0,1|1,0,0]=3 3891 B15R1.778 CCNC(=O)COCCc1ccccn1 34a_100000210271_100000183381 [0,0,1,0,0,1|2,0,0]=4 3892 B15R1.778 CCNC(=O)COCCc1cccnc1 34a_100011217484_100000183381 [0,0,1,0,0,1|2,0,0]=4 3893 B15R1.778 CCNC(=O)COCCc1ccncc1 34a_100011216225_100000183381 [0,0,1,0,0,1|2,0,0]=4 3894 B15R1.778 CCNC(=O)CSCCc1ccccc1 62a_100000183381_100011218657 [0,0,1,0,0,1|1,1,0]=4 3895 B15R1.778 CCNC(=O)CSCCc1ccccc1 62a_100000765856_100000183381 [0,0,1,0,0,1|1,1,0]=4 3896 B15R1.778 CCNC(=O)CSCSc1ccccc1 62a_100000183381_100011218342 [0,0,1,0,0,1|1,1,0]=4 3897 B15R1.778 CCNC(=O)CSCSc1ccccc1 62a_100011218342_100000183381 [0,0,1,0,0,1|1,1,0]=4 3898 B15R1.778 CCNC(=O)NCCCc1ccccc1 2708a_100000211184_100015525214 [0,0,1,0,0,1|2,0,0]=4 3899 B15R1.778 CCNC(=O)NCCCc1ccccc1 2708a_100015525214_100000211184 [0,0,1,0,0,1|2,0,0]=4 3900 B15R1.778 CCNC(=O)NCCCc1ccccc1 273464a_100000211184_100015525214 [0,0,1,0,0,1|2,0,0]=4 3901 B15R1.778 CCNC(=O)NCCCc1ccccc1 273464a_100015525214_100000211184 [0,0,1,0,0,1|2,0,0]=4 3902 B15R1.778 CCNC(=O)NCCCc1ccccc1 512a_100000211184_100015525214 [0,0,1,0,0,1|2,0,0]=4 3903 B15R1.778 CCNC(=O)NCCCc1ccccc1 512a_100015525214_100000211184 [0,0,1,0,0,1|2,0,0]=4 3904 B15R1.778 CCOC(=O)/C=C/CNc1ccccc1 34a_100000106764_100016267167 [0,0,1,0,0,1|1,0,1]=4 3905 B15R1.778 CCOC(=O)/C=C/COc1ccccc1 34a_100000210340_100016267167 [0,0,1,0,0,1|1,0,1]=4 3906 B15R1.778 CCOC(=O)/C=C/COc1ccccc1 7a_100000210340_100016267167 [0,0,1,0,0,1|1,0,1]=4 3907 B15R1.778 CCOC(=O)/C=C/CSc1ccccc1 62a_100000719477_100016267167 [0,0,1,0,0,1|1,0,1]=4 3908 B15R1.778 CCOC(=O)/C=C/CSc1ccccc1 62a_100016267167_100000041952 [0,0,1,0,0,1|1,0,1]=4 3909 B15R1.778 CCOC(=O)C=NNCc1ccccc1 4a_100000007032_100000742314 [0,0,1,0,0,1|1,0,1]=4 3910 B15R1.778 CCOC(=O)CCCNc1ccccc1 34a_100000106764_100009991533 [0,0,1,0,0,1|1,0,0]=3 3911 B15R1.778 CCOC(=O)CCCOc1ccccc1 34a_100000210340_100009991533 [0,0,1,0,0,1|1,0,0]=3 3912 B15R1.778 CCOC(=O)CCCOc1ccccc1 7a_100000210340_100011215271 [0,0,1,0,0,1|1,0,0]=3 3913 B15R1.778 CCOC(=O)CCCOc1cccnc1 34a_100000210849_100009991533 [0,0,1,0,0,1|2,0,0]=4 3914 B15R1.778 CCOC(=O)CCCOc1cccnc1 7a_100000210849_100011215271 [0,0,1,0,0,1|2,0,0]=4 3915 B15R1.778 CCOC(=O)CCCOc1ccncc1 34a_100000212176_100009991533 [0,0,1,0,0,1|2,0,0]=4 3916 B15R1.778 CCOC(=O)CCCSc1ccccc1 62a_100000719477_100009991533 [0,0,1,0,0,1|1,0,0]=3 3917 B15R1.778 CCOC(=O)CCCSc1ccccc1 62a_100009991533_100000041952 [0,0,1,0,0,1|1,0,0]=3 3918 B15R1.778 CCOC(=O)CCCSc1ccccn1 62a_100009991533_100011216584 [0,0,1,0,0,1|2,0,0]=4 3919 B15R1.778 CCOC(=O)CCCSc1ccccn1 62a_100011216584_100009991533 [0,0,1,0,0,1|2,0,0]=4 3920 B15R1.778 CCOC(=O)CCCSc1cccnc1 62a_100000210063_100009991533 [0,0,1,0,0,1|2,0,0]=4 3921 B15R1.778 CCOC(=O)CCCSc1cccnc1 62a_100009991533_100000210063 [0,0,1,0,0,1|2,0,0]=4 3922 B15R1.778 CCOC(=O)CCCSc1ccncc1 62a_100000728582_100009991533 [0,0,1,0,0,1|2,0,0]=4 3923 B15R1.778 CCOC(=O)CCCSc1ccncc1 62a_100009991533_100000728582 [0,0,1,0,0,1|2,0,0]=4 3924 B15R1.778 CCOC(=O)CCNCc1ccccc1 2230a_100015324214_100011206558 [0,0,1,0,0,1|1,0,0]=3 3925 B15R1.778 CCOC(=O)CCNCc1ccccc1 34a_100015324214_100000765890 [0,0,1,0,0,1|1,0,0]=3 3926 B15R1.778 CCOC(=O)CCOCc1ccccc1 34a_100000210790_100000765890 [0,0,1,0,0,1|0,0,0]=2 3927 B15R1.778 CCOC(=O)CCOCc1ccccc1 7a_100000210790_100011206558 [0,0,1,0,0,1|0,0,0]=2 3928 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000211182_100000765890 [0,0,1,0,0,1|0,1,0]=3 3929 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000765890_100015291786 [0,0,1,0,0,1|0,1,0]=3 3930 B15R1.778 CCOC(=O)CCSCc1ccccn1 62a_100000721315_100000765890 [0,0,1,0,0,1|1,1,0]=4 3931 B15R1.778 CCOC(=O)CCSCc1ccccn1 62a_100000765890_100000721315 [0,0,1,0,0,1|1,1,0]=4 3932 B15R1.778 CCOC(=O)CCSCc1cccnc1 62a_100000741622_100000765890 [0,0,1,0,0,1|1,1,0]=4 3933 B15R1.778 CCOC(=O)CCSCc1cccnc1 62a_100000765890_100000741622 [0,0,1,0,0,1|1,1,0]=4 3934 B15R1.778 CCOC(=O)CCSCc1ccncc1 62a_100000765890_100015193705 [0,0,1,0,0,1|1,1,0]=4 3935 B15R1.778 CCOC(=O)CCSCc1ccncc1 62a_100015193705_100000765890 [0,0,1,0,0,1|1,1,0]=4 3936 B15R1.778 CCOC(=O)CNCCc1ccccc1 2230a_100000106460_100000188475 [0,0,1,0,0,1|1,0,0]=3 3937 B15R1.778 CCOC(=O)CNCCc1ccccc1 34a_100000106460_100000188475 [0,0,1,0,0,1|1,0,0]=3 3938 B15R1.778 CCOC(=O)CNCCc1cccnc1 2230a_100000736294_100000188475 [0,0,1,0,0,1|2,0,0]=4 3939 B15R1.778 CCOC(=O)COCCc1ccccc1 34a_100000210268_100000188475 [0,0,1,0,0,1|0,0,0]=2 3940 B15R1.778 CCOC(=O)COCCc1ccccc1 7a_100000210268_100000188475 [0,0,1,0,0,1|0,0,0]=2 3941 B15R1.778 CCOC(=O)COCCc1ccccn1 34a_100000210271_100000188475 [0,0,1,0,0,1|1,0,0]=3 3942 B15R1.778 CCOC(=O)COCCc1cccnc1 34a_100011217484_100000188475 [0,0,1,0,0,1|1,0,0]=3 3943 B15R1.778 CCOC(=O)COCCc1ccncc1 34a_100011216225_100000188475 [0,0,1,0,0,1|1,0,0]=3 3944 B15R1.778 CCOC(=O)COCCc1cnccn1 34a_100011349526_100000188475 [0,0,1,0,0,1|2,0,0]=4 3945 B15R1.778 CCOC(=O)COCCc1cncnc1 34a_100011709255_100000188475 [0,0,1,0,0,1|2,0,0]=4 3946 B15R1.778 CCOC(=O)CSCCc1ccccc1 62a_100000188475_100011218657 [0,0,1,0,0,1|0,1,0]=3 3947 B15R1.778 CCOC(=O)CSCCc1ccccc1 62a_100000765856_100000188475 [0,0,1,0,0,1|0,1,0]=3 3948 B15R1.778 CCOC(=O)CSCCc1ccccn1 62a_100000188475_100015183660 [0,0,1,0,0,1|1,1,0]=4 3949 B15R1.778 CCOC(=O)CSCCc1ccccn1 62a_100015183660_100000188475 [0,0,1,0,0,1|1,1,0]=4 3950 B15R1.778 CCOC(=O)CSCCc1cccnc1 62a_100000188475_200011713674 [0,0,1,0,0,1|1,1,0]=4 3951 B15R1.778 CCOC(=O)CSCCc1cccnc1 62a_200011713674_100000188475 [0,0,1,0,0,1|1,1,0]=4 3952 B15R1.778 CCOC(=O)CSCCc1ccncc1 62a_100000188475_100000723409 [0,0,1,0,0,1|1,1,0]=4 3953 B15R1.778 CCOC(=O)CSCCc1ccncc1 62a_100000723409_100000188475 [0,0,1,0,0,1|1,1,0]=4 3954 B15R1.778 CCOC(=O)CSCSc1ccccc1 62a_100000188475_100011218342 [0,0,1,0,0,1|0,1,0]=3 3955 B15R1.778 CCOC(=O)CSCSc1ccccc1 62a_100011218342_100000188475 [0,0,1,0,0,1|0,1,0]=3 3956 B15R1.778 CCOC(=O)NCCOc1ccccc1 7a_100000210340_200011445536 [0,0,1,0,0,1|2,0,0]=4 3957 B15R1.778 CCOC(=O)NCCSc1ccccc1 62a_100000719477_200011445536 [0,0,1,0,0,1|2,0,0]=4 3958 B15R1.778 CCOC(=O)OCSCc1ccccc1 62a_100000211182_100000075025 [0,0,1,0,0,1|0,1,0]=3 3959 B15R1.778 CCOC(=O)OCSCc1ccccn1 62a_100000721315_100000075025 [0,0,1,0,0,1|1,1,0]=4 3960 B15R1.778 CCOC(=O)OCSCc1cccnc1 62a_100000741622_100000075025 [0,0,1,0,0,1|1,1,0]=4 3961 B15R1.778 CCOC(=O)OCSCc1ccncc1 62a_100015193705_100000075025 [0,0,1,0,0,1|1,1,0]=4 3962 B15R1.778 CNNC(=O)CCOCc1ccccc1 22a_100016993582_100000743319 [0,0,1,0,0,1|2,0,0]=4 3963 B15R1.778 COCC(=O)CCOCc1ccccc1 1458a_100000210968_100000234347 [0,0,1,0,0,1|2,0,0]=4 3964 B15R1.778 CSCC(=O)CCOCc1ccccc1 1458a_100000184570_100000234347 [0,0,1,0,0,1|2,0,0]=4 3965 B15R1.778 O=C(CCF)CCOCc1ccccc1 1458a_100000743319_100011217306 [0,0,1,0,0,1|2,0,0]=4 3966 B15R1.778 O=C(CCO)CCOCc1ccccc1 1458a_100000743319_100000211926 [0,0,1,0,0,1|2,0,0]=4 3967 B15R1.778 O=C(CCO)CCOCc1ccccc1 1458a_100011216618_100000234347 [0,0,1,0,0,1|2,0,0]=4 3968 B15R1.778 O=C(COCCc1ccccc1)NCO 34a_100000210268_100000185155 [0,0,1,0,0,1|2,0,0]=4 3969 B15R1.778 O=C(COCCc1ccccc1)NCO 7a_100000210268_100000185155 [0,0,1,0,0,1|2,0,0]=4 3970 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100000210414 [1,0,0,0,0,1|2,0,0]=4 3971 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100000210414 [1,0,0,0,0,1|2,0,0]=4 3972 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100000210414 [1,0,0,0,0,1|2,0,0]=4 3973 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100000210414 [1,0,0,0,0,1|2,0,0]=4 3974 B15R2.1561 COC(=O)C1CN1Cc2ccccc2 2230a_200009830135_100015291786 [1,0,0,0,0,1|2,0,0]=4 3975 B15R2.1561 COC(=O)C1CN1Cc2ccccc2 270004a_200009830135_100015611070 [1,0,0,0,0,1|2,0,0]=4 3976 B15R2.1596 CCC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000210202 [1,0,0,0,0,1|1,0,0]=3 3977 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 11a_106832991635_100000746226 [1,0,0,0,0,1|2,0,0]=4 3978 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 1626a_100102657272_100000746226 [1,0,0,0,0,1|2,0,0]=4 3979 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 240690a_100102657272_100000746226 [1,0,0,0,0,1|2,0,0]=4 3980 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 527a_100102657272_100000746226 [1,0,0,0,0,1|2,0,0]=4 3981 B15R2.1596 O=C(CF)C1CC(C1)c2ccccc2 1458a_100000746226_100015361967 [1,0,0,0,0,1|2,0,0]=4 3982 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 11a_100000739605_100000210414 [1,0,0,0,0,1|2,0,0]=4 3983 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 1626a_100000739605_100000210414 [1,0,0,0,0,1|2,0,0]=4 3984 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 240690a_100000739605_100000210414 [1,0,0,0,0,1|2,0,0]=4 3985 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 527a_100000739605_100000210414 [1,0,0,0,0,1|2,0,0]=4 3986 B17R2.6152 CCOC(=O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000188475 [0,0,0,0,0,2|2,0,0]=4 3987 B17R2.6152 CCOC(=O)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000188475 [0,0,0,0,0,2|2,0,0]=4 3988 B17R2.6152 CCOC(=O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000188475 [0,0,0,0,0,2|2,0,0]=4 3989 B17R2.6220 CCOC(=O)C1CN(C1)Cc2ccccc2 269982a_100015188541_100000211182 [0,0,0,0,0,2|2,0,0]=4 3990 B17R2.6220 CCOC(=O)C1CN(C1)Cc2ccccc2 270004a_100015188541_100015611070 [0,0,0,0,0,2|2,0,0]=4 3991 B17R2.172 CCCC(=O)C1CC(=NO1)c2ccccc2 1458a_100000738527_100000210303 [0,0,0,0,0,2|1,0,1]=4 3992 B17R2.172 CCNC(=O)C1CC(=NO1)c2ccccc2 11a_100015525214_100000738527 [0,0,0,0,0,2|1,0,1]=4 3993 B17R2.172 CCNC(=O)C1CC(=NO1)c2ccccc2 240690a_100015525214_100000738527 [0,0,0,0,0,2|1,0,1]=4 3994 B17R2.172 CCNC(=O)C1CC(=NO1)c2ccccc2 527a_100015525214_100000738527 [0,0,0,0,0,2|1,0,1]=4 3995 B17R2.172 CCOC(=O)c1ccc(o1)c2ccccc2 271570a_100011218836_200000170220 [0,0,0,0,0,2|0,0,2]=4 3996 B17R2.172 CCOC(=O)c1ccc(o1)c2ccccc2 271570a_200000099502_100000210277 [0,0,0,0,0,2|0,0,2]=4 3997 B17R2.172 CCOC(=O)c1cnc(o1)c2ccccc2 271570a_100011218836_100010205802 [0,0,0,0,0,2|0,0,2]=4 3998 B17R2.172 CCOC(=O)c1coc(n1)c2ccccc2 271570a_100011218836_100011935043 [0,0,0,0,0,2|0,0,2]=4 3999 B17R2.172 CCOC(=O)c1nc(no1)c2ccccc2 271570a_100011218836_100010175899 [0,0,0,0,0,2|0,0,2]=4 4000 B17R2.172 CCOC(=O)c1nnc(o1)c2ccccc2 271570a_100011218836_100010391765 [0,0,0,0,0,2|0,0,2]=4 4001 B17R2.6158 CCCC(=O)N[C@H]1C[C@H](C1)c2ccccc2 11a_102125402554_100000211992 [0,0,0,0,0,2|2,0,0]=4 4002 B17R2.6158 CCCC(=O)N[C@H]1C[C@H](C1)c2ccccc2 1626a_102125402554_100000211992 [0,0,0,0,0,2|2,0,0]=4 4003 B17R2.6158 CCCC(=O)N[C@H]1C[C@H](C1)c2ccccc2 527a_102125402554_100000211992 [0,0,0,0,0,2|2,0,0]=4 4004 B17R2.6158 CCNC(=O)N[C@H]1C[C@H](C1)c2ccccc2 2708a_100015525214_102125402554 [0,0,0,0,0,2|2,0,0]=4 4005 B17R2.6158 CCNC(=O)N[C@H]1C[C@H](C1)c2ccccc2 2708a_102125402554_100015525214 [0,0,0,0,0,2|2,0,0]=4 4006 B17R2.6158 CCNC(=O)N[C@H]1C[C@H](C1)c2ccccc2 273464a_100015525214_102125402554 [0,0,0,0,0,2|2,0,0]=4 4007 B17R2.6158 CCNC(=O)N[C@H]1C[C@H](C1)c2ccccc2 273464a_102125402554_100015525214 [0,0,0,0,0,2|2,0,0]=4 4008 B17R2.6158 CCNC(=O)N[C@H]1C[C@H](C1)c2ccccc2 512a_100015525214_102125402554 [0,0,0,0,0,2|2,0,0]=4 4009 B17R2.6158 CCNC(=O)N[C@H]1C[C@H](C1)c2ccccc2 512a_102125402554_100015525214 [0,0,0,0,0,2|2,0,0]=4 4010 B17R2.179 CCOC(=O)c1occc1c2ccccc2 271570a_100000106686_100000210277 [0,0,0,0,0,2|0,0,2]=4 4011 B17R2.179 CCOC(=O)c1ocnc1c2ccccc2 271570a_100011218836_100010260153 [0,0,0,0,0,2|0,0,2]=4 4012 B17R2.6154 CCOC(=O)CN1CCC1c2ccccc2 2230a_100000739605_100000188475 [0,0,0,0,0,2|2,0,0]=4 4013 B17R2.6154 CCOC(=O)CN1CCC1c2ccccc2 269982a_100000739605_100000188475 [0,0,0,0,0,2|2,0,0]=4 4014 B17R2.6163 CCCC(=O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000747444 [0,0,0,0,0,2|2,0,0]=4 4015 B17R2.6163 CCNC(=O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000183381 [0,0,0,0,0,2|2,0,0]=4 4016 B17R2.6163 CCNC(=O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000183381 [0,0,0,0,0,2|2,0,0]=4 4017 B17R2.6163 CCOC(=O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000188475 [0,0,0,0,0,2|1,0,0]=3 4018 B17R2.6163 CCOC(=O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000188475 [0,0,0,0,0,2|1,0,0]=3