0 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.60 C#CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000184674 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.60 C#CCC(=O)C(C)Cc1ccccc1 1458a_100011220946_200011218536 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.60 C#CCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000184674 [0,0,0,0,0,0|3,0,0]=3 4 B14R1.60 C#CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000184674 [0,0,0,0,0,0|3,0,0]=3 5 B14R1.60 C#CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000184674 [0,0,0,0,0,0|3,0,0]=3 6 B14R1.60 C#CCC(=O)C(C)Sc1ccccn1 1458a_100000156770_100000184674 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.60 C#CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100011220946 [0,0,0,0,0,0|3,0,0]=3 8 B14R1.60 C#CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100011220946 [0,0,0,0,0,0|3,0,0]=3 9 B14R1.60 C#CCC(=O)N(C)Cc1ccccn1 527a_100000207498_100011220946 [0,0,0,0,0,0|4,0,0]=4 10 B14R1.60 C#CCC(=O)N(C)Cc1cccnc1 527a_100000184577_100011220946 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.60 C#CCC(=O)N(C)Cc1ccncc1 527a_100000187231_100011220946 [0,0,0,0,0,0|4,0,0]=4 12 B14R1.60 C#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000184674 [0,0,0,0,0,0|3,0,0]=3 13 B14R1.60 C#CCN(C)C(=O)C[n+]1ccccc1 11a_100000225692_200000086051 [0,0,0,0,0,0|2,0,1]=3 14 B14R1.60 C#CCN(C)C(=O)C[n+]1ccccc1 527a_100000225692_200000086051 [0,0,0,0,0,0|2,0,1]=3 15 B14R1.60 C#CCN(C)C(=O)Cc1ccccn1 11a_100000225692_100000233486 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.60 C#CCN(C)C(=O)Cc1cccnc1 11a_100000225692_100000737805 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.60 C#CCN(C)C(=O)Cc1cccnc1 527a_100000225692_100000737805 [0,0,0,0,0,0|2,0,1]=3 18 B14R1.60 C#CCN(C)C(=O)Cc1ccncc1 11a_100000225692_100011201483 [0,0,0,0,0,0|2,0,1]=3 19 B14R1.60 C#CCN(C)C(=O)Cc1cnccn1 11a_100000225692_100000726051 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.60 C#CCN(C)C(=O)Cc1cnccn1 527a_100000225692_100000726051 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.60 C#CCN(C)C(=O)Cc1cncnc1 11a_100000225692_100000721575 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.60 C#CCN(C)C(=O)Cc1cncnc1 527a_100000225692_100000721575 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.60 C#CCN(C)C(=O)Nc1ccccc1 2430a_100000106764_100000225692 [0,0,0,0,0,0|2,0,1]=3 24 B14R1.60 C#CCN(C)C(C)C[n+]1ccccc1 270004a_100000225692_100000034229 [0,0,0,0,0,0|1,0,0]=1 25 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 2230a_100000705463_200000210301 [0,0,0,0,0,0|0,0,0]=0 26 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 269982a_100000705463_200000210301 [0,0,0,0,0,0|0,0,0]=0 27 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000225692_200011218536 [0,0,0,0,0,0|0,0,0]=0 28 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000705463_200000210301 [0,0,0,0,0,0|0,0,0]=0 29 B14R1.60 C#CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000038162 [0,0,0,0,0,0|1,0,0]=1 30 B14R1.60 C#CCN(C)C(C)Cc1cccnc1 270004a_100000225692_100015187140 [0,0,0,0,0,0|1,0,0]=1 31 B14R1.60 C#CCN(C)C(C)Cc1ccncc1 270004a_100000225692_100000238508 [0,0,0,0,0,0|1,0,0]=1 32 B14R1.60 C#CCN(C)C(C)Cc1cnccn1 270004a_100000225692_100015184882 [0,0,0,0,0,0|2,0,0]=2 33 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 2230a_100000705463_200025704644 [0,0,0,0,0,0|0,0,0]=0 34 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 269982a_100000705463_200025704644 [0,0,0,0,0,0|0,0,0]=0 35 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 34a_100000705463_200025704644 [0,0,0,0,0,0|0,0,0]=0 36 B14R1.60 C=CCC(=O)C(C)Cc1ccccc1 1458a_100000210193_200011218536 [0,0,0,0,0,0|2,0,2]=4 37 B14R1.60 C=CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210623 [0,0,0,0,0,0|2,0,2]=4 38 B14R1.60 C=CCN(C)C(C)C[n+]1ccccc1 270004a_100000225617_100000034229 [0,0,0,0,0,0|1,0,2]=3 39 B14R1.60 C=CCN(C)C(C)Cc1ccccc1 269982a_100000225617_200011218536 [0,0,0,0,0,0|0,0,2]=2 40 B14R1.60 C=CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210623 [0,0,0,0,0,0|1,0,2]=3 41 B14R1.60 C=CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210623 [0,0,0,0,0,0|1,0,2]=3 42 B14R1.60 C=CCN(C)C(C)Cc1cccnc1 270004a_100000225617_100015187140 [0,0,0,0,0,0|1,0,2]=3 43 B14R1.60 C=CCN(C)C(C)Cc1ccncc1 270004a_100000225617_100000238508 [0,0,0,0,0,0|1,0,2]=3 44 B14R1.60 C=CCN(C)C(C)Cc1cnccn1 270004a_100000225617_100015184882 [0,0,0,0,0,0|2,0,2]=4 45 B14R1.60 CC#CC(=O)C(C)Cc1ccccc1 1458a_100000763181_200011218536 [0,0,0,0,0,0|2,0,2]=4 46 B14R1.60 CC(CC#N)N(C)Cc1ccccc1 2230a_100000186898_100009813641 [0,0,0,0,0,0|3,0,0]=3 47 B14R1.60 CC(CC#N)N(C)Cc1ccccc1 269982a_100000186898_100009813641 [0,0,0,0,0,0|3,0,0]=3 48 B14R1.60 CC(CC#N)N(C)Cc1ccccn1 2230a_100000207498_100009813641 [0,0,0,0,0,0|4,0,0]=4 49 B14R1.60 CC(CC#N)N(C)Cc1ccccn1 269982a_100000207498_100009813641 [0,0,0,0,0,0|4,0,0]=4 50 B14R1.60 CC(CC#N)N(C)Cc1cccnc1 2230a_100000184577_100009813641 [0,0,0,0,0,0|4,0,0]=4 51 B14R1.60 CC(CC#N)N(C)Cc1cccnc1 269982a_100000184577_100009813641 [0,0,0,0,0,0|4,0,0]=4 52 B14R1.60 CC(CC#N)N(C)Cc1ccncc1 2230a_100000187231_100009813641 [0,0,0,0,0,0|4,0,0]=4 53 B14R1.60 CC(CC#N)N(C)Cc1ccncc1 269982a_100000187231_100009813641 [0,0,0,0,0,0|4,0,0]=4 54 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000186898_100009893172 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000731037_100015291786 [0,0,0,0,0,0|3,0,1]=4 56 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000186898_100009893172 [0,0,0,0,0,0|3,0,1]=4 57 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000731037_100000211182 [0,0,0,0,0,0|3,0,1]=4 58 B14R1.60 CC(CCO)N(C)Cc1ccccc1 270004a_100000731037_100015611070 [0,0,0,0,0,0|3,0,1]=4 59 B14R1.60 CC(C[n+]1ccccc1)N(C)CCO 270004a_100000210263_100000034229 [0,0,0,0,0,0|2,0,1]=3 60 B14R1.60 CC(Cc1ccccc1)C(=O)CC#N 1458a_100000754839_100011214920 [0,0,0,0,0,0|3,0,0]=3 61 B14R1.60 CC(Cc1ccccc1)C(=O)CC#N 1458a_100051588842_200011218536 [0,0,0,0,0,0|3,0,0]=3 62 B14R1.60 CC(Cc1ccccc1)C(=O)CCF 1458a_100000754839_100011217306 [0,0,0,0,0,0|3,0,1]=4 63 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [0,0,0,0,0,0|3,0,1]=4 64 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [0,0,0,0,0,0|3,0,1]=4 65 B14R1.60 CC(Cc1ccccc1)N(C)CCO 269982a_100000210263_200011218536 [0,0,0,0,0,0|1,0,1]=2 66 B14R1.60 CC(Cc1ccccn1)C(=O)CC#N 1458a_100012000792_100011214920 [0,0,0,0,0,0|4,0,0]=4 67 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 2230a_200011351704_100011215382 [0,0,0,0,0,0|2,0,0]=2 68 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 269982a_200011351704_100011214920 [0,0,0,0,0,0|2,0,0]=2 69 B14R1.60 CC(Cc1ccccn1)N(C)CC=O 2230a_200011351704_200015260668 [0,0,0,0,0,0|2,0,1]=3 70 B14R1.60 CC(Cc1ccccn1)N(C)CC=O 269982a_200011351704_200015260668 [0,0,0,0,0,0|2,0,1]=3 71 B14R1.60 CC(Cc1ccccn1)N(C)CCF 2230a_200011351704_100011217306 [0,0,0,0,0,0|2,0,1]=3 72 B14R1.60 CC(Cc1ccccn1)N(C)CCF 269982a_200011351704_100011217306 [0,0,0,0,0,0|2,0,1]=3 73 B14R1.60 CC(Cc1ccccn1)N(C)CCO 2230a_200011351704_100000211926 [0,0,0,0,0,0|2,0,1]=3 74 B14R1.60 CC(Cc1ccccn1)N(C)CCO 269982a_200011351704_100000211926 [0,0,0,0,0,0|2,0,1]=3 75 B14R1.60 CC(Cc1cccnc1)N(C)CCO 270004a_100000210263_100015187140 [0,0,0,0,0,0|2,0,1]=3 76 B14R1.60 CC(Cc1ccncc1)N(C)CCO 270004a_100000210263_100000238508 [0,0,0,0,0,0|2,0,1]=3 77 B14R1.60 CC(Cc1cnccn1)N(C)CCO 270004a_100000210263_100015184882 [0,0,0,0,0,0|3,0,1]=4 78 B14R1.60 CC(Oc1ccccc1)C(=O)CC#N 1458a_100000188414_100011214920 [0,0,0,0,0,0|4,0,0]=4 79 B14R1.60 CC(Sc1ccccc1)C(=O)CC#N 1458a_100000199063_100011214920 [0,0,0,0,0,0|4,0,0]=4 80 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [0,0,0,0,0,0|2,0,2]=4 81 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [0,0,0,0,0,0|2,0,2]=4 82 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000766640 [0,0,0,0,0,0|2,0,2]=4 83 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_200015183821_200000210301 [0,0,0,0,0,0|2,0,2]=4 84 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000766640 [0,0,0,0,0,0|2,0,2]=4 85 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_200015183821_200000210301 [0,0,0,0,0,0|2,0,2]=4 86 B14R1.60 CCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000211909 [0,0,0,0,0,0|2,0,2]=4 87 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 2230a_200015183821_200025704644 [0,0,0,0,0,0|2,0,2]=4 88 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 269982a_200015183821_200025704644 [0,0,0,0,0,0|2,0,2]=4 89 B14R1.60 CCCN(C)C(C)C[n+]1ccccc1 270004a_100000747261_100000034229 [0,0,0,0,0,0|1,0,2]=3 90 B14R1.60 CCCN(C)C(C)Cc1ccccc1 269982a_100000747261_200011218536 [0,0,0,0,0,0|0,0,2]=2 91 B14R1.60 CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210303 [0,0,0,0,0,0|1,0,2]=3 92 B14R1.60 CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210303 [0,0,0,0,0,0|1,0,2]=3 93 B14R1.60 CCCN(C)C(C)Cc1cccnc1 270004a_100000747261_100015187140 [0,0,0,0,0,0|1,0,2]=3 94 B14R1.60 CCCN(C)C(C)Cc1ccncc1 270004a_100000747261_100000238508 [0,0,0,0,0,0|1,0,2]=3 95 B14R1.60 CCCN(C)C(C)Cc1cnccn1 270004a_100000747261_100015184882 [0,0,0,0,0,0|2,0,2]=4 96 B14R1.60 CCNC(C)C(C)Cc1ccccc1 269862a_100015525214_200011390852 [0,0,0,0,0,0|2,0,2]=4 97 B14R1.60 CCNC(C)C(C)Cc1ccccc1 270004a_100015525214_200011390852 [0,0,0,0,0,0|2,0,2]=4 98 B14R1.60 CN(CC#N)C(=O)C[n+]1ccccc1 11a_100000748184_200000086051 [0,0,0,0,0,0|3,0,1]=4 99 B14R1.60 CN(CC#N)C(=O)Cc1ccccn1 11a_100000748184_100000233486 [0,0,0,0,0,0|3,0,1]=4 100 B14R1.60 CN(CC#N)C(=O)Cc1cccnc1 11a_100000748184_100000737805 [0,0,0,0,0,0|3,0,1]=4 101 B14R1.60 CN(CC#N)C(=O)Cc1ccncc1 11a_100000748184_100011201483 [0,0,0,0,0,0|3,0,1]=4 102 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N 1626a_100000186898_100051588842 [0,0,0,0,0,0|4,0,0]=4 103 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N 240690a_100000186898_100051588842 [0,0,0,0,0,0|4,0,0]=4 104 B14R1.60 COCC(=O)C(C)Cc1ccccc1 1458a_100000210968_200011218536 [0,0,0,0,0,0|3,0,1]=4 105 B14R1.60 COCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000765312 [0,0,0,0,0,0|3,0,1]=4 106 B14R1.60 COCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000765312 [0,0,0,0,0,0|3,0,1]=4 107 B14R1.60 COCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000749346 [0,0,0,0,0,0|3,0,1]=4 108 B14R1.60 COCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000766300 [0,0,0,0,0,0|2,0,1]=3 109 B14R1.60 COCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000766300 [0,0,0,0,0,0|2,0,1]=3 110 B14R1.60 CSCC(=O)C(C)Cc1ccccc1 1458a_100000184570_200011218536 [0,0,0,0,0,0|3,0,1]=4 111 B14R1.60 CSCC(C)N(C)Cc1ccccc1 270004a_100000186898_100011216314 [0,0,0,0,0,0|3,0,1]=4 112 B14R1.60 CSCN(C)C(C)Cc1ccccn1 2230a_200011351704_100011218213 [0,0,0,0,0,0|2,0,1]=3 113 B14R1.60 CSCN(C)C(C)Cc1ccccn1 269982a_200011351704_100011218213 [0,0,0,0,0,0|2,0,1]=3 114 B14R1.60 N#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011214920 [0,0,0,0,0,0|4,0,0]=4 115 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100000185753_100000184674 [1,0,0,0,0,0|2,0,0]=3 116 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100011220946_100000765856 [1,0,0,0,0,0|2,0,0]=3 117 B13R1.42 C#CCC(=O)CCc1ccccn1 1458a_100011220946_100015183660 [1,0,0,0,0,0|3,0,0]=4 118 B13R1.42 C#CCC(=O)CCc1ccccn1 1458a_100015195070_100000184674 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.42 C#CCC(=O)CCc1cccnc1 1458a_100000198484_100000184674 [1,0,0,0,0,0|3,0,0]=4 120 B13R1.42 C#CCC(=O)CCc1cccnc1 1458a_100011220946_200011713674 [1,0,0,0,0,0|3,0,0]=4 121 B13R1.42 C#CCC(=O)CCc1ccncc1 1458a_100011220946_100000723409 [1,0,0,0,0,0|3,0,0]=4 122 B13R1.42 C#CCC(=O)CCc1ccncc1 1458a_100011225043_100000184674 [1,0,0,0,0,0|3,0,0]=4 123 B13R1.42 C#CCC(=O)COc1ccccc1 1458a_100000186222_100000184674 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.42 C#CCC(=O)CSc1ccccc1 1458a_100000211596_100000184674 [1,0,0,0,0,0|3,0,0]=4 125 B13R1.42 C#CCC(=O)NCc1ccccc1 1626a_100015324214_100011220946 [1,0,0,0,0,0|3,0,0]=4 126 B13R1.42 C#CCC(=O)NCc1ccccc1 527a_100015324214_100011220946 [1,0,0,0,0,0|3,0,0]=4 127 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [1,0,0,0,0,0|2,0,0]=3 128 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [1,0,0,0,0,0|2,0,0]=3 129 B13R1.42 C#CCC(C)OCc1ccccn1 34a_100000685586_100000721315 [1,0,0,0,0,0|3,0,0]=4 130 B13R1.42 C#CCC(C)OCc1ccccn1 7a_100000685586_100000721315 [1,0,0,0,0,0|3,0,0]=4 131 B13R1.42 C#CCC(C)OCc1cccnc1 34a_100000685586_100000733263 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.42 C#CCC(C)OCc1cccnc1 7a_100000685586_100000741622 [1,0,0,0,0,0|3,0,0]=4 133 B13R1.42 C#CCC(C)OCc1ccncc1 7a_100000685586_100015193705 [1,0,0,0,0,0|3,0,0]=4 134 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000207497_100000038162 [1,0,0,0,0,0|0,0,0]=1 135 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000225692_100000765856 [1,0,0,0,0,0|0,0,0]=1 136 B13R1.42 C#CCN(C)CCc1ccccc1 34a_100000225692_100000765856 [1,0,0,0,0,0|0,0,0]=1 137 B13R1.42 C#CCN(C)CCc1ccccn1 2230a_100000225692_100015183660 [1,0,0,0,0,0|1,0,0]=2 138 B13R1.42 C#CCN(C)CCc1ccccn1 2230a_100000737206_100000038162 [1,0,0,0,0,0|1,0,0]=2 139 B13R1.42 C#CCN(C)CCc1cccnc1 2230a_100000225692_200011713674 [1,0,0,0,0,0|1,0,0]=2 140 B13R1.42 C#CCN(C)CCc1cccnc1 2230a_100000763209_100000038162 [1,0,0,0,0,0|1,0,0]=2 141 B13R1.42 C#CCN(C)CCc1ccncc1 2230a_100000225692_100000723409 [1,0,0,0,0,0|1,0,0]=2 142 B13R1.42 C#CCN(C)CCc1ccncc1 2230a_100000742850_100000038162 [1,0,0,0,0,0|1,0,0]=2 143 B13R1.42 C#CCN(C)CSc1ccccc1 2230a_100000225692_100011218342 [1,0,0,0,0,0|1,0,0]=2 144 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [1,0,0,0,0,0|0,0,2]=3 145 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [1,0,0,0,0,0|0,0,2]=3 146 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [1,0,0,0,0,0|0,0,2]=3 147 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [1,0,0,0,0,0|0,0,2]=3 148 B13R1.42 C=CCN(C)CCc1ccccn1 2230a_100000225617_100015183660 [1,0,0,0,0,0|1,0,2]=4 149 B13R1.42 C=CCN(C)CCc1ccccn1 2230a_100000737206_100000210623 [1,0,0,0,0,0|1,0,2]=4 150 B13R1.42 C=CCN(C)CCc1ccccn1 269982a_100000225617_100015183660 [1,0,0,0,0,0|1,0,2]=4 151 B13R1.42 C=CCN(C)CCc1ccccn1 269982a_100000737206_100000210623 [1,0,0,0,0,0|1,0,2]=4 152 B13R1.42 C=CCN(C)CCc1cccnc1 2230a_100000225617_200011713674 [1,0,0,0,0,0|1,0,2]=4 153 B13R1.42 C=CCN(C)CCc1cccnc1 2230a_100000763209_100000210623 [1,0,0,0,0,0|1,0,2]=4 154 B13R1.42 C=CCN(C)CCc1cccnc1 269982a_100000225617_200011713674 [1,0,0,0,0,0|1,0,2]=4 155 B13R1.42 C=CCN(C)CCc1cccnc1 269982a_100000763209_100000210623 [1,0,0,0,0,0|1,0,2]=4 156 B13R1.42 C=CCN(C)CCc1ccncc1 2230a_100000225617_100000723409 [1,0,0,0,0,0|1,0,2]=4 157 B13R1.42 C=CCN(C)CCc1ccncc1 2230a_100000742850_100000210623 [1,0,0,0,0,0|1,0,2]=4 158 B13R1.42 C=CCN(C)CCc1ccncc1 269982a_100000225617_100000723409 [1,0,0,0,0,0|1,0,2]=4 159 B13R1.42 C=CCN(C)CCc1ccncc1 269982a_100000742850_100000210623 [1,0,0,0,0,0|1,0,2]=4 160 B13R1.42 C=CCN(C)CSc1ccccc1 2230a_100000225617_100011218342 [1,0,0,0,0,0|1,0,2]=4 161 B13R1.42 C=CCN(C)CSc1ccccc1 269982a_100000225617_100011218342 [1,0,0,0,0,0|1,0,2]=4 162 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [1,0,0,0,0,0|3,0,0]=4 163 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [1,0,0,0,0,0|3,0,0]=4 164 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [1,0,0,0,0,0|3,0,0]=4 165 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [1,0,0,0,0,0|3,0,0]=4 166 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [1,0,0,0,0,0|0,0,2]=3 167 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [1,0,0,0,0,0|0,0,2]=3 168 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [1,0,0,0,0,0|0,0,2]=3 169 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [1,0,0,0,0,0|0,0,2]=3 170 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000176852_200000210301 [1,0,0,0,0,0|1,0,2]=4 171 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000737206_100000210303 [1,0,0,0,0,0|1,0,2]=4 172 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000747261_100015183660 [1,0,0,0,0,0|1,0,2]=4 173 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000176852_200000210301 [1,0,0,0,0,0|1,0,2]=4 174 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000737206_100000210303 [1,0,0,0,0,0|1,0,2]=4 175 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000747261_100015183660 [1,0,0,0,0,0|1,0,2]=4 176 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [1,0,0,0,0,0|1,0,2]=4 177 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [1,0,0,0,0,0|1,0,2]=4 178 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [1,0,0,0,0,0|1,0,2]=4 179 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [1,0,0,0,0,0|1,0,2]=4 180 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000742850_100000210303 [1,0,0,0,0,0|1,0,2]=4 181 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000747261_100000723409 [1,0,0,0,0,0|1,0,2]=4 182 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000742850_100000210303 [1,0,0,0,0,0|1,0,2]=4 183 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000747261_100000723409 [1,0,0,0,0,0|1,0,2]=4 184 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [1,0,0,0,0,0|1,0,2]=4 185 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [1,0,0,0,0,0|1,0,2]=4 186 B13R1.42 CCCN([13CH3])CCc1ccccn1 2230a_100000176852_200025704644 [1,0,0,0,0,0|1,0,2]=4 187 B13R1.42 CCCN([13CH3])CCc1ccccn1 269982a_100000176852_200025704644 [1,0,0,0,0,0|1,0,2]=4 188 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000207497_100011215382 [1,0,0,0,0,0|1,0,0]=2 189 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000748184_100000765856 [1,0,0,0,0,0|1,0,0]=2 190 B13R1.42 CN(CC#N)CCc1ccccc1 269982a_100000207497_100011214920 [1,0,0,0,0,0|1,0,0]=2 191 B13R1.42 CN(CC#N)CCc1ccccn1 2230a_100000737206_100011215382 [1,0,0,0,0,0|2,0,0]=3 192 B13R1.42 CN(CC#N)CCc1ccccn1 2230a_100000748184_100015183660 [1,0,0,0,0,0|2,0,0]=3 193 B13R1.42 CN(CC#N)CCc1ccccn1 269982a_100000737206_100011214920 [1,0,0,0,0,0|2,0,0]=3 194 B13R1.42 CN(CC#N)CCc1cccnc1 2230a_100000748184_200011713674 [1,0,0,0,0,0|2,0,0]=3 195 B13R1.42 CN(CC#N)CCc1cccnc1 2230a_100000763209_100011215382 [1,0,0,0,0,0|2,0,0]=3 196 B13R1.42 CN(CC#N)CCc1cccnc1 269982a_100000763209_100011214920 [1,0,0,0,0,0|2,0,0]=3 197 B13R1.42 CN(CC#N)CCc1ccncc1 2230a_100000742850_100011215382 [1,0,0,0,0,0|2,0,0]=3 198 B13R1.42 CN(CC#N)CCc1ccncc1 2230a_100000748184_100000723409 [1,0,0,0,0,0|2,0,0]=3 199 B13R1.42 CN(CC#N)CCc1ccncc1 269982a_100000742850_100011214920 [1,0,0,0,0,0|2,0,0]=3 200 B13R1.42 CN(CC#N)CSc1ccccc1 2230a_100000748184_100011218342 [1,0,0,0,0,0|2,0,0]=3 201 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [1,0,0,0,0,0|1,0,1]=3 202 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [1,0,0,0,0,0|1,0,1]=3 203 B13R1.42 CN(CC=O)CCc1ccccn1 2230a_100000737206_200015260668 [1,0,0,0,0,0|2,0,1]=4 204 B13R1.42 CN(CC=O)CCc1ccccn1 269982a_100000737206_200015260668 [1,0,0,0,0,0|2,0,1]=4 205 B13R1.42 CN(CC=O)CCc1cccnc1 2230a_100000763209_200015260668 [1,0,0,0,0,0|2,0,1]=4 206 B13R1.42 CN(CC=O)CCc1cccnc1 269982a_100000763209_200015260668 [1,0,0,0,0,0|2,0,1]=4 207 B13R1.42 CN(CC=O)CCc1ccncc1 2230a_100000742850_200015260668 [1,0,0,0,0,0|2,0,1]=4 208 B13R1.42 CN(CC=O)CCc1ccncc1 269982a_100000742850_200015260668 [1,0,0,0,0,0|2,0,1]=4 209 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [1,0,0,0,0,0|1,0,1]=3 210 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [1,0,0,0,0,0|1,0,1]=3 211 B13R1.42 CN(CCF)CCc1ccccn1 2230a_100000737206_100011217306 [1,0,0,0,0,0|2,0,1]=4 212 B13R1.42 CN(CCF)CCc1ccccn1 269982a_100000737206_100011217306 [1,0,0,0,0,0|2,0,1]=4 213 B13R1.42 CN(CCF)CCc1cccnc1 2230a_100000763209_100011217306 [1,0,0,0,0,0|2,0,1]=4 214 B13R1.42 CN(CCF)CCc1cccnc1 269982a_100000763209_100011217306 [1,0,0,0,0,0|2,0,1]=4 215 B13R1.42 CN(CCF)CCc1ccncc1 2230a_100000742850_100011217306 [1,0,0,0,0,0|2,0,1]=4 216 B13R1.42 CN(CCF)CCc1ccncc1 269982a_100000742850_100011217306 [1,0,0,0,0,0|2,0,1]=4 217 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [1,0,0,0,0,0|1,0,1]=3 218 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [1,0,0,0,0,0|1,0,1]=3 219 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [1,0,0,0,0,0|1,0,1]=3 220 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [1,0,0,0,0,0|1,0,1]=3 221 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000210263_100015183660 [1,0,0,0,0,0|2,0,1]=4 222 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000737206_100000211926 [1,0,0,0,0,0|2,0,1]=4 223 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000210263_100015183660 [1,0,0,0,0,0|2,0,1]=4 224 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000737206_100000211926 [1,0,0,0,0,0|2,0,1]=4 225 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000210263_200011713674 [1,0,0,0,0,0|2,0,1]=4 226 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000763209_100000211926 [1,0,0,0,0,0|2,0,1]=4 227 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000210263_200011713674 [1,0,0,0,0,0|2,0,1]=4 228 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000763209_100000211926 [1,0,0,0,0,0|2,0,1]=4 229 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000210263_100000723409 [1,0,0,0,0,0|2,0,1]=4 230 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000742850_100000211926 [1,0,0,0,0,0|2,0,1]=4 231 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000210263_100000723409 [1,0,0,0,0,0|2,0,1]=4 232 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000742850_100000211926 [1,0,0,0,0,0|2,0,1]=4 233 B13R1.42 CN(CCO)CSc1ccccc1 2230a_100000210263_100011218342 [1,0,0,0,0,0|2,0,1]=4 234 B13R1.42 CN(CCO)CSc1ccccc1 269982a_100000210263_100011218342 [1,0,0,0,0,0|2,0,1]=4 235 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [1,0,0,0,0,0|1,0,1]=3 236 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [1,0,0,0,0,0|1,0,1]=3 237 B13R1.42 COCN(C)CCc1ccccn1 2230a_100000737206_100000766300 [1,0,0,0,0,0|2,0,1]=4 238 B13R1.42 COCN(C)CCc1ccccn1 269982a_100000737206_100000766300 [1,0,0,0,0,0|2,0,1]=4 239 B13R1.42 COCN(C)CCc1cccnc1 2230a_100000763209_100000766300 [1,0,0,0,0,0|2,0,1]=4 240 B13R1.42 COCN(C)CCc1cccnc1 269982a_100000763209_100000766300 [1,0,0,0,0,0|2,0,1]=4 241 B13R1.42 COCN(C)CCc1ccncc1 2230a_100000742850_100000766300 [1,0,0,0,0,0|2,0,1]=4 242 B13R1.42 COCN(C)CCc1ccncc1 269982a_100000742850_100000766300 [1,0,0,0,0,0|2,0,1]=4 243 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [1,0,0,0,0,0|1,0,1]=3 244 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [1,0,0,0,0,0|1,0,1]=3 245 B13R1.42 CSCN(C)CCc1ccccn1 2230a_100000737206_100011218213 [1,0,0,0,0,0|2,0,1]=4 246 B13R1.42 CSCN(C)CCc1ccccn1 269982a_100000737206_100011218213 [1,0,0,0,0,0|2,0,1]=4 247 B13R1.42 CSCN(C)CCc1cccnc1 2230a_100000763209_100011218213 [1,0,0,0,0,0|2,0,1]=4 248 B13R1.42 CSCN(C)CCc1cccnc1 269982a_100000763209_100011218213 [1,0,0,0,0,0|2,0,1]=4 249 B13R1.42 CSCN(C)CCc1ccncc1 2230a_100000742850_100011218213 [1,0,0,0,0,0|2,0,1]=4 250 B13R1.42 CSCN(C)CCc1ccncc1 269982a_100000742850_100011218213 [1,0,0,0,0,0|2,0,1]=4 251 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [1,0,0,0,0,0|3,0,0]=4 252 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [1,0,0,0,0,0|3,0,0]=4 253 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100000185753_100011214920 [1,0,0,0,0,0|3,0,0]=4 254 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100051588842_100000765856 [1,0,0,0,0,0|3,0,0]=4 255 B13R1.44 C#CCCC(=O)Cc1ccccc1 1458a_100000692101_100015291786 [1,0,0,0,0,0|2,0,1]=4 256 B13R1.44 C#CCCN(C)Cc1ccccc1 2230a_100000186898_100000688953 [1,0,0,0,0,0|2,0,0]=3 257 B13R1.44 C#CCCN(C)Cc1ccccc1 269982a_100000186898_100000730999 [1,0,0,0,0,0|2,0,0]=3 258 B13R1.44 C#CCCN(C)Cc1ccccn1 2230a_100000207498_100000688953 [1,0,0,0,0,0|3,0,0]=4 259 B13R1.44 C#CCCN(C)Cc1ccccn1 269982a_100000207498_100000730999 [1,0,0,0,0,0|3,0,0]=4 260 B13R1.44 C#CCCN(C)Cc1cccnc1 2230a_100000184577_100000688953 [1,0,0,0,0,0|3,0,0]=4 261 B13R1.44 C#CCCN(C)Cc1cccnc1 269982a_100000184577_100000730999 [1,0,0,0,0,0|3,0,0]=4 262 B13R1.44 C#CCCN(C)Cc1ccncc1 2230a_100000187231_100000688953 [1,0,0,0,0,0|3,0,0]=4 263 B13R1.44 C#CCCN(C)Cc1ccncc1 269982a_100000187231_100000730999 [1,0,0,0,0,0|3,0,0]=4 264 B13R1.44 C#CCNC(=O)C[n+]1ccccc1 11a_100000212058_200000086051 [1,0,0,0,0,0|2,0,1]=4 265 B13R1.44 C#CCNC(=O)C[n+]1ccccc1 240690a_100000212058_200000086051 [1,0,0,0,0,0|2,0,1]=4 266 B13R1.44 C#CCNC(=O)C[n+]1ccccc1 527a_100000212058_200000086051 [1,0,0,0,0,0|2,0,1]=4 267 B13R1.44 C#CCNC(=O)Cc1ccccn1 11a_100000212058_100000233486 [1,0,0,0,0,0|2,0,1]=4 268 B13R1.44 C#CCNC(=O)Cc1cccnc1 11a_100000212058_100000737805 [1,0,0,0,0,0|2,0,1]=4 269 B13R1.44 C#CCNC(=O)Cc1cccnc1 240690a_100000212058_100000737805 [1,0,0,0,0,0|2,0,1]=4 270 B13R1.44 C#CCNC(=O)Cc1cccnc1 527a_100000212058_100000737805 [1,0,0,0,0,0|2,0,1]=4 271 B13R1.44 C#CCNC(=O)Cc1ccncc1 11a_100000212058_100011201483 [1,0,0,0,0,0|2,0,1]=4 272 B13R1.44 C#CCNC(=O)Cc1ccncc1 240690a_100000212058_100011201483 [1,0,0,0,0,0|2,0,1]=4 273 B13R1.44 C#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000212058 [1,0,0,0,0,0|2,0,1]=4 274 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [1,0,0,0,0,0|0,0,0]=1 275 B13R1.44 C#CCNC(C)Cc1ccccn1 2230a_100000238496_100000038162 [1,0,0,0,0,0|1,0,0]=2 276 B13R1.44 C#CCNC(C)Cc1cccnc1 2230a_100011207255_100000038162 [1,0,0,0,0,0|1,0,0]=2 277 B13R1.44 C#CCNC(C)Cc1cnccn1 2230a_100011277835_100000038162 [1,0,0,0,0,0|2,0,0]=3 278 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [1,0,0,0,0,0|1,0,0]=2 279 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [1,0,0,0,0,0|1,0,0]=2 280 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [1,0,0,0,0,0|1,0,0]=2 281 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [1,0,0,0,0,0|1,0,0]=2 282 B13R1.44 C=CCNC(C)C[n+]1ccccc1 270004a_100020586998_100000034229 [1,0,0,0,0,0|1,0,2]=4 283 B13R1.44 C=CCNC(C)Cc1ccccn1 2230a_100000238496_100000210623 [1,0,0,0,0,0|1,0,2]=4 284 B13R1.44 C=CCNC(C)Cc1cccnc1 2230a_100011207255_100000210623 [1,0,0,0,0,0|1,0,2]=4 285 B13R1.44 C=CCNC(C)Cc1cccnc1 270004a_100020586998_100015187140 [1,0,0,0,0,0|1,0,2]=4 286 B13R1.44 C=CCNC(C)Cc1ccncc1 270004a_100020586998_100000238508 [1,0,0,0,0,0|1,0,2]=4 287 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [1,0,0,0,0,0|1,0,2]=4 288 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [1,0,0,0,0,0|1,0,2]=4 289 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [1,0,0,0,0,0|1,0,2]=4 290 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [1,0,0,0,0,0|1,0,2]=4 291 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [1,0,0,0,0,0|1,0,2]=4 292 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [1,0,0,0,0,0|2,0,1]=4 293 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [1,0,0,0,0,0|1,0,1]=3 294 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [1,0,0,0,0,0|1,0,1]=3 295 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [1,0,0,0,0,0|2,0,0]=3 296 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [1,0,0,0,0,0|2,0,1]=4 297 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [1,0,0,0,0,0|2,0,1]=4 298 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [1,0,0,0,0,0|2,0,1]=4 299 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [1,0,0,0,0,0|2,0,1]=4 300 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [1,0,0,0,0,0|2,0,1]=4 301 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [1,0,0,0,0,0|2,0,1]=4 302 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [1,0,0,0,0,0|2,0,1]=4 303 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [1,0,0,0,0,0|2,0,0]=3 305 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [1,0,0,0,0,0|2,0,0]=3 306 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [1,0,0,0,0,0|2,0,1]=4 308 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [1,0,0,0,0,0|2,0,1]=4 309 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [1,0,0,0,0,0|2,0,1]=4 310 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [1,0,0,0,0,0|2,0,1]=4 311 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [1,0,0,0,0,0|2,0,1]=4 312 B13R1.44 CC(Cc1ccccn1)NCC#N 2230a_100000238496_100011215382 [1,0,0,0,0,0|2,0,0]=3 313 B13R1.44 CC(Cc1ccccn1)NCC=O 2230a_100000238496_200015260668 [1,0,0,0,0,0|2,0,1]=4 314 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [1,0,0,0,0,0|2,0,1]=4 315 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [1,0,0,0,0,0|2,0,1]=4 316 B13R1.44 CC(Cc1cccnc1)NCC#N 2230a_100011207255_100011215382 [1,0,0,0,0,0|2,0,0]=3 317 B13R1.44 CC(Cc1cccnc1)NCC=O 2230a_100011207255_200015260668 [1,0,0,0,0,0|2,0,1]=4 318 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [1,0,0,0,0,0|2,0,1]=4 319 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [1,0,0,0,0,0|2,0,1]=4 320 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [1,0,0,0,0,0|2,0,1]=4 321 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [1,0,0,0,0,0|2,0,1]=4 322 B13R1.44 CC(Cc1cnccn1)NCC#N 2230a_100011277835_100011215382 [1,0,0,0,0,0|3,0,0]=4 323 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [1,0,0,0,0,0|1,0,2]=4 324 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [1,0,0,0,0,0|1,0,2]=4 325 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [1,0,0,0,0,0|1,0,2]=4 326 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [1,0,0,0,0,0|1,0,2]=4 327 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [1,0,0,0,0,0|1,0,2]=4 328 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [1,0,0,0,0,0|1,0,2]=4 329 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [1,0,0,0,0,0|1,0,2]=4 330 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [1,0,0,0,0,0|1,0,2]=4 331 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [1,0,0,0,0,0|1,0,2]=4 332 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [1,0,0,0,0,0|1,0,2]=4 333 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000177507_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000184479_100015291786 [1,0,0,0,0,0|3,0,0]=4 335 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000186898_100011215226 [1,0,0,0,0,0|3,0,0]=4 336 B13R1.44 CN(CCC#N)Cc1ccccc1 269982a_100000186898_100011215226 [1,0,0,0,0,0|3,0,0]=4 337 B13R1.44 CN(CCC#N)Cc1ccccc1 270004a_100000184479_100015611070 [1,0,0,0,0,0|3,0,0]=4 338 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [1,0,0,0,0,0|2,0,1]=4 339 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [1,0,0,0,0,0|2,0,1]=4 340 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [1,0,0,0,0,0|2,0,1]=4 341 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [1,0,0,0,0,0|2,0,1]=4 342 B13R1.44 CSCNC(C)Cc1ccccn1 2230a_100000238496_100011218213 [1,0,0,0,0,0|2,0,1]=4 343 B13R1.44 CSCNC(C)Cc1cccnc1 2230a_100011207255_100011218213 [1,0,0,0,0,0|2,0,1]=4 344 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [1,0,0,0,0,0|2,0,1]=4 345 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [1,0,0,0,0,0|2,0,1]=4 346 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [1,0,0,0,0,0|2,0,1]=4 347 B13R1.44 [13CH3]N(CCC#N)Cc1ccccc1 2230a_100000177507_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [1,0,0,0,0,0|2,0,0]=3 349 B13R1.135 CC(C#N)N(C)Cc1ccccc1 2230a_100000186898_100000184139 [1,0,0,0,0,0|3,0,0]=4 350 B13R1.135 CC(C#N)N(C)Cc1ccccc1 269982a_100000186898_100000703298 [1,0,0,0,0,0|3,0,0]=4 351 B13R1.135 CC(C#N)N(C)Cc1ccccc1 270004a_100000745055_100015611070 [1,0,0,0,0,0|3,0,0]=4 352 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [1,0,0,0,0,0|3,0,0]=4 353 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [1,0,0,0,0,0|3,0,0]=4 354 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [1,0,0,0,0,0|3,0,0]=4 355 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [1,0,0,0,0,0|3,0,0]=4 356 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [1,0,0,0,0,0|3,0,0]=4 357 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [1,0,0,0,0,0|3,0,0]=4 358 B13R1.135 CC(Cc1ccccn1)N(C)CF 269982a_200011351704_100015361967 [1,0,0,0,0,0|2,0,0]=3 359 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [1,0,0,0,0,0|2,0,1]=4 360 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [1,0,0,0,0,0|2,0,1]=4 361 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [1,0,0,0,0,0|2,0,1]=4 362 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [1,0,0,0,0,0|2,0,1]=4 363 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [1,0,0,0,0,0|2,0,1]=4 364 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [1,0,0,0,0,0|2,0,1]=4 365 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [1,0,0,0,0,0|2,0,1]=4 366 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [1,0,0,0,0,0|2,0,1]=4 367 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [1,0,0,0,0,0|2,0,1]=4 368 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [1,0,0,0,0,0|2,0,1]=4 369 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [1,0,0,0,0,0|2,0,1]=4 370 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [1,0,0,0,0,0|0,0,1]=2 371 B13R1.135 CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210202 [1,0,0,0,0,0|1,0,1]=3 372 B13R1.135 CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000204670 [1,0,0,0,0,0|1,0,1]=3 373 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [1,0,0,0,0,0|2,0,1]=4 374 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [1,0,0,0,0,0|2,0,1]=4 375 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [1,0,0,0,0,0|3,0,0]=4 377 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [1,0,0,0,0,0|3,0,0]=4 378 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [1,0,0,0,0,0|3,0,0]=4 379 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [1,0,0,0,0,0|3,0,0]=4 380 B15R1.48 C#CCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000184674 [0,1,0,0,0,0|2,0,0]=3 381 B15R1.48 C#CCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000184674 [0,1,0,0,0,0|2,0,0]=3 382 B15R1.48 C#CCC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_100000184674 [0,1,0,0,0,0|3,0,0]=4 383 B15R1.48 C#CCC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_100000184674 [0,1,0,0,0,0|3,0,0]=4 384 B15R1.48 C#CCC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_100000184674 [0,1,0,0,0,0|3,0,0]=4 385 B15R1.48 C#CCC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_100000184674 [0,1,0,0,0,0|3,0,0]=4 386 B15R1.48 C#CCC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_100000184674 [0,1,0,0,0,0|3,0,0]=4 387 B15R1.48 C#CCC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_100000184674 [0,1,0,0,0,0|3,0,0]=4 388 B15R1.48 C#CCC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_100000184674 [0,1,0,0,0,0|3,0,0]=4 389 B15R1.48 C#CCC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100000184674 [0,1,0,0,0,0|3,0,0]=4 390 B15R1.48 C#CCC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_100000184674 [0,1,0,0,0,0|3,0,0]=4 391 B15R1.48 C#CCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000184674 [0,1,0,0,0,0|3,0,0]=4 392 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100011220946 [0,1,0,0,0,0|3,0,0]=4 393 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100011220946 [0,1,0,0,0,0|3,0,0]=4 394 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100011220946 [0,1,0,0,0,0|3,0,0]=4 395 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100011220946 [0,1,0,0,0,0|3,0,0]=4 396 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100011220946 [0,1,0,0,0,0|3,0,0]=4 397 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100011220946 [0,1,0,0,0,0|3,0,0]=4 398 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100011220946 [0,1,0,0,0,0|3,0,0]=4 399 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100011220946 [0,1,0,0,0,0|3,0,0]=4 400 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100011220946 [0,1,0,0,0,0|3,0,0]=4 401 B15R1.48 C#CCC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_100000184674 [0,1,0,0,0,0|3,0,0]=4 402 B15R1.48 C#CCC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100000184674 [0,1,0,0,0,0|3,0,0]=4 403 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)Br 11a_100000225692_100000198978 [0,1,0,0,0,0|1,0,1]=3 404 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)Br 527a_100000225692_100000198978 [0,1,0,0,0,0|1,0,1]=3 405 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)C 11a_100000225692_100000212244 [0,1,0,0,0,0|1,0,1]=3 406 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)C 527a_100000225692_100000212244 [0,1,0,0,0,0|1,0,1]=3 407 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)Cl 11a_100000225692_100000211027 [0,1,0,0,0,0|1,0,1]=3 408 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)Cl 527a_100000225692_100000211027 [0,1,0,0,0,0|1,0,1]=3 409 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)F 11a_100000225692_100000210951 [0,1,0,0,0,0|1,0,1]=3 410 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)F 1626a_100000225692_100000210951 [0,1,0,0,0,0|1,0,1]=3 411 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)F 527a_100000225692_100000210951 [0,1,0,0,0,0|1,0,1]=3 412 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)I 11a_100000225692_100000688869 [0,1,0,0,0,0|1,0,1]=3 413 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)I 1626a_100000225692_100000688869 [0,1,0,0,0,0|1,0,1]=3 414 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)I 527a_100000225692_100000688869 [0,1,0,0,0,0|1,0,1]=3 415 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)O 1626a_100000225692_100000198540 [0,1,0,0,0,0|1,0,1]=3 416 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cc1)O 527a_100000225692_100000198540 [0,1,0,0,0,0|1,0,1]=3 417 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cn1)Br 11a_100000225692_100020629044 [0,1,0,0,0,0|2,0,1]=4 418 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cn1)C 11a_100000225692_100025705728 [0,1,0,0,0,0|2,0,1]=4 419 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cn1)C 1626a_100000225692_100025705728 [0,1,0,0,0,0|2,0,1]=4 420 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cn1)Cl 11a_100000225692_100000728320 [0,1,0,0,0,0|2,0,1]=4 421 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cn1)Cl 1626a_100000225692_100000728320 [0,1,0,0,0,0|2,0,1]=4 422 B15R1.48 C#CCN(C)C(=O)Cc1ccc(cn1)Cl 527a_100000225692_100000728320 [0,1,0,0,0,0|2,0,1]=4 423 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)Br 11a_100000225692_100010067268 [0,1,0,0,0,0|2,0,1]=4 424 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)Br 527a_100000225692_100010067268 [0,1,0,0,0,0|2,0,1]=4 425 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)C 11a_100000225692_100000740413 [0,1,0,0,0,0|2,0,1]=4 426 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)C 1626a_100000225692_100000740413 [0,1,0,0,0,0|2,0,1]=4 427 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)C 527a_100000225692_100000740413 [0,1,0,0,0,0|2,0,1]=4 428 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)Cl 11a_100000225692_100000061944 [0,1,0,0,0,0|2,0,1]=4 429 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)Cl 1626a_100000225692_100000061944 [0,1,0,0,0,0|2,0,1]=4 430 B15R1.48 C#CCN(C)C(=O)Cc1ccc(nc1)Cl 527a_100000225692_100000061944 [0,1,0,0,0,0|2,0,1]=4 431 B15R1.48 C#CCN(C)C(=O)Cn1ccc(=O)cc1 11a_100000225692_200000238563 [0,1,0,0,0,0|2,0,1]=4 432 B15R1.48 C#CCN(C)C(=O)Cn1ccc(=O)cc1 1626a_100000225692_200000238563 [0,1,0,0,0,0|2,0,1]=4 433 B15R1.48 C#CCN(C)C(=O)Cn1ccc(=O)cc1 527a_100000225692_200000238563 [0,1,0,0,0,0|2,0,1]=4 434 B15R1.48 C#CCN(C)C(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000225692 [0,1,0,0,0,0|2,0,1]=4 435 B15R1.48 C#CCN(C)C(=O)Nc1ccc(cc1)C 2430a_100000124888_100000225692 [0,1,0,0,0,0|2,0,1]=4 436 B15R1.48 C#CCN(C)C(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000225692 [0,1,0,0,0,0|2,0,1]=4 437 B15R1.48 C#CCN(C)C(=O)Nc1ccc(cc1)F 2430a_100000185862_100000225692 [0,1,0,0,0,0|2,0,1]=4 438 B15R1.48 C#CCN(C)C(=O)Nc1ccc(cc1)I 2430a_100000185761_100000225692 [0,1,0,0,0,0|2,0,1]=4 439 B15R1.48 C#CCN(C)C(=O)Nc1ccc(cc1)O 2430a_100000185829_100000225692 [0,1,0,0,0,0|2,0,1]=4 440 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000225692_100000691760 [0,1,0,0,0,0|0,0,0]=1 441 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)C 270004a_100000225692_100000751045 [0,1,0,0,0,0|0,0,0]=1 442 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000225692_100000747806 [0,1,0,0,0,0|0,0,0]=1 443 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)F 270004a_100000225692_100000745281 [0,1,0,0,0,0|0,0,0]=1 444 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)O 270004a_100000225692_100011218180 [0,1,0,0,0,0|0,0,0]=1 445 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000225617_100000691760 [0,1,0,0,0,0|0,0,2]=3 446 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)C 270004a_100000225617_100000751045 [0,1,0,0,0,0|0,0,2]=3 447 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000225617_100000747806 [0,1,0,0,0,0|0,0,2]=3 448 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)F 270004a_100000225617_100000745281 [0,1,0,0,0,0|0,0,2]=3 449 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)O 270004a_100000225617_100011218180 [0,1,0,0,0,0|0,0,2]=3 450 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)Br 2230a_100000180866_100009813641 [0,1,0,0,0,0|3,0,0]=4 451 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)Br 269982a_100000180866_100009813641 [0,1,0,0,0,0|3,0,0]=4 452 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)Cl 2230a_100000184517_100009813641 [0,1,0,0,0,0|3,0,0]=4 453 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)Cl 269982a_100000184517_100009813641 [0,1,0,0,0,0|3,0,0]=4 454 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)F 2230a_100000184576_100009813641 [0,1,0,0,0,0|3,0,0]=4 455 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)F 269982a_100000184576_100009813641 [0,1,0,0,0,0|3,0,0]=4 456 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)O 2230a_100000207500_100009813641 [0,1,0,0,0,0|3,0,0]=4 457 B15R1.48 CC(CC#N)N(C)Cc1ccc(cc1)O 269982a_100000207500_100009813641 [0,1,0,0,0,0|3,0,0]=4 458 B15R1.48 CC(Cc1ccc(cc1)Br)C(=O)CC#N 1458a_100000695199_100011214920 [0,1,0,0,0,0|3,0,0]=4 459 B15R1.48 CC(Cc1ccc(cc1)Br)N(C)CCO 270004a_100000210263_100000691760 [0,1,0,0,0,0|1,0,1]=3 460 B15R1.48 CC(Cc1ccc(cc1)Cl)N(C)CCO 270004a_100000210263_100000747806 [0,1,0,0,0,0|1,0,1]=3 461 B15R1.48 CC(Cc1ccc(cc1)F)C(=O)CC#N 1458a_100000746122_100011214920 [0,1,0,0,0,0|3,0,0]=4 462 B15R1.48 CC(Cc1ccc(cc1)F)N(C)CCO 270004a_100000210263_100000745281 [0,1,0,0,0,0|1,0,1]=3 463 B15R1.48 CC(Cc1ccc(cc1)O)N(C)CCO 270004a_100000210263_100011218180 [0,1,0,0,0,0|1,0,1]=3 464 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000747261_100000691760 [0,1,0,0,0,0|0,0,2]=3 465 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000747261_100000751045 [0,1,0,0,0,0|0,0,2]=3 466 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000747806 [0,1,0,0,0,0|0,0,2]=3 467 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000747261_100000745281 [0,1,0,0,0,0|0,0,2]=3 468 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000747261_100011218180 [0,1,0,0,0,0|0,0,2]=3 469 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)Br 11a_100000748184_100000198978 [0,1,0,0,0,0|2,0,1]=4 470 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)Cl 11a_100000748184_100000211027 [0,1,0,0,0,0|2,0,1]=4 471 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)F 11a_100000748184_100000210951 [0,1,0,0,0,0|2,0,1]=4 472 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)F 1626a_100000748184_100000210951 [0,1,0,0,0,0|2,0,1]=4 473 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)I 11a_100000748184_100000688869 [0,1,0,0,0,0|2,0,1]=4 474 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)I 1626a_100000748184_100000688869 [0,1,0,0,0,0|2,0,1]=4 475 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)O 1626a_100000748184_100000198540 [0,1,0,0,0,0|2,0,1]=4 476 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CC#N 11a_100000748184_100000212244 [0,1,0,0,0,0|2,0,1]=4 477 B15R1.48 Cc1ccc(cc1)CC(C)N(C)CCO 270004a_100000210263_100000751045 [0,1,0,0,0,0|1,0,1]=3 478 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CC#N 2230a_100000744650_100009813641 [0,1,0,0,0,0|3,0,0]=4 479 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CC#N 269982a_100000744650_100009813641 [0,1,0,0,0,0|3,0,0]=4 480 B15R1.49 C#CCC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_100000184674 [0,1,0,0,0,0|3,0,0]=4 481 B15R1.49 C#CCC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_100000184674 [0,1,0,0,0,0|3,0,0]=4 482 B15R1.49 C#CCC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_100000184674 [0,1,0,0,0,0|3,0,0]=4 483 B15R1.49 C#CCC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_100000184674 [0,1,0,0,0,0|3,0,0]=4 484 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)Br 1626a_100000187585_100011220946 [0,1,0,0,0,0|3,0,0]=4 485 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)Br 527a_100000187585_100011220946 [0,1,0,0,0,0|3,0,0]=4 486 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100011220946 [0,1,0,0,0,0|3,0,0]=4 487 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100011220946 [0,1,0,0,0,0|3,0,0]=4 488 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)Cl 1626a_100020629429_100011220946 [0,1,0,0,0,0|3,0,0]=4 489 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)Cl 527a_100020629429_100011220946 [0,1,0,0,0,0|3,0,0]=4 490 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100011220946 [0,1,0,0,0,0|3,0,0]=4 491 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100011220946 [0,1,0,0,0,0|3,0,0]=4 492 B15R1.49 C#CCC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100011220946 [0,1,0,0,0,0|3,0,0]=4 493 B15R1.49 C#CCC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100000184674 [0,1,0,0,0,0|3,0,0]=4 494 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)Br 11a_100000225692_100000747190 [0,1,0,0,0,0|1,0,1]=3 495 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)Br 527a_100000225692_100000747190 [0,1,0,0,0,0|1,0,1]=3 496 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)C 11a_100000225692_100011206899 [0,1,0,0,0,0|1,0,1]=3 497 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)C 1626a_100000225692_100011206899 [0,1,0,0,0,0|1,0,1]=3 498 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)C 527a_100000225692_100011206899 [0,1,0,0,0,0|1,0,1]=3 499 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)Cl 11a_100000225692_100000749307 [0,1,0,0,0,0|1,0,1]=3 500 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)Cl 1626a_100000225692_100000749307 [0,1,0,0,0,0|1,0,1]=3 501 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)Cl 527a_100000225692_100000749307 [0,1,0,0,0,0|1,0,1]=3 502 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)F 11a_100000225692_100000211661 [0,1,0,0,0,0|1,0,1]=3 503 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)F 1626a_100000225692_100000211661 [0,1,0,0,0,0|1,0,1]=3 504 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)F 527a_100000225692_100000211661 [0,1,0,0,0,0|1,0,1]=3 505 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)I 11a_100000225692_100000238430 [0,1,0,0,0,0|1,0,1]=3 506 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)I 1626a_100000225692_100000238430 [0,1,0,0,0,0|1,0,1]=3 507 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)I 527a_100000225692_100000238430 [0,1,0,0,0,0|1,0,1]=3 508 B15R1.49 C#CCN(C)C(=O)Cc1cccc(c1)O 527a_100000225692_100000745134 [0,1,0,0,0,0|1,0,1]=3 509 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)Br 11a_100000225692_100010201708 [0,1,0,0,0,0|2,0,1]=4 510 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)Br 527a_100000225692_100010201708 [0,1,0,0,0,0|2,0,1]=4 511 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)C 11a_100000225692_100012001110 [0,1,0,0,0,0|2,0,1]=4 512 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)C 1626a_100000225692_100012001110 [0,1,0,0,0,0|2,0,1]=4 513 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)C 527a_100000225692_100012001110 [0,1,0,0,0,0|2,0,1]=4 514 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)Cl 11a_100000225692_100000090259 [0,1,0,0,0,0|2,0,1]=4 515 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)Cl 1626a_100000225692_100000090259 [0,1,0,0,0,0|2,0,1]=4 516 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)F 11a_100000225692_100000096803 [0,1,0,0,0,0|2,0,1]=4 517 B15R1.49 C#CCN(C)C(=O)Cc1cccc(n1)F 1626a_100000225692_100000096803 [0,1,0,0,0,0|2,0,1]=4 518 B15R1.49 C#CCN(C)C(=O)Cc1ccnc(c1)Br 11a_100000225692_100010126891 [0,1,0,0,0,0|2,0,1]=4 519 B15R1.49 C#CCN(C)C(=O)Cc1ccnc(c1)Br 527a_100000225692_100010126891 [0,1,0,0,0,0|2,0,1]=4 520 B15R1.49 C#CCN(C)C(=O)Cc1ccnc(c1)Cl 11a_100000225692_100000085289 [0,1,0,0,0,0|2,0,1]=4 521 B15R1.49 C#CCN(C)C(=O)Cc1ccnc(c1)Cl 1626a_100000225692_100000085289 [0,1,0,0,0,0|2,0,1]=4 522 B15R1.49 C#CCN(C)C(=O)Cc1ccnc(c1)Cl 527a_100000225692_100000085289 [0,1,0,0,0,0|2,0,1]=4 523 B15R1.49 C#CCN(C)C(=O)Cc1cncc(c1)Br 11a_100000225692_100000239331 [0,1,0,0,0,0|2,0,1]=4 524 B15R1.49 C#CCN(C)C(=O)Cc1cncc(c1)Br 527a_100000225692_100000239331 [0,1,0,0,0,0|2,0,1]=4 525 B15R1.49 C#CCN(C)C(=O)Cc1cncc(c1)F 11a_100000225692_100011667516 [0,1,0,0,0,0|2,0,1]=4 526 B15R1.49 C#CCN(C)C(=O)Cc1cncc(c1)F 527a_100000225692_100011667516 [0,1,0,0,0,0|2,0,1]=4 527 B15R1.49 C#CCN(C)C(=O)Nc1cccc(c1)Br 2430a_100000210019_100000225692 [0,1,0,0,0,0|2,0,1]=4 528 B15R1.49 C#CCN(C)C(=O)Nc1cccc(c1)C 2430a_100000188690_100000225692 [0,1,0,0,0,0|2,0,1]=4 529 B15R1.49 C#CCN(C)C(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000225692 [0,1,0,0,0,0|2,0,1]=4 530 B15R1.49 C#CCN(C)C(=O)Nc1cccc(c1)F 2430a_100000210047_100000225692 [0,1,0,0,0,0|2,0,1]=4 531 B15R1.49 C#CCN(C)C(=O)Nc1cccc(c1)I 2430a_100000211102_100000225692 [0,1,0,0,0,0|2,0,1]=4 532 B15R1.49 C#CCN(C)C(=O)Nc1cccc(c1)O 2430a_100000210217_100000225692 [0,1,0,0,0,0|2,0,1]=4 533 B15R1.49 C#CCN(C)C(C)Cc1cc(ccn1)C 270004a_100000225692_200015184229 [0,1,0,0,0,0|1,0,0]=2 534 B15R1.49 C#CCN(C)C(C)Cc1cccc(c1)Br 270004a_100000225692_100000689217 [0,1,0,0,0,0|0,0,0]=1 535 B15R1.49 C#CCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000225692_100000727212 [0,1,0,0,0,0|0,0,0]=1 536 B15R1.49 C#CCN(C)C(C)Cc1cccc(c1)F 270004a_100000225692_100000687711 [0,1,0,0,0,0|0,0,0]=1 537 B15R1.49 C=CCN(C)C(C)Cc1cc(ccn1)C 270004a_100000225617_200015184229 [0,1,0,0,0,0|1,0,2]=4 538 B15R1.49 C=CCN(C)C(C)Cc1cccc(c1)Br 270004a_100000225617_100000689217 [0,1,0,0,0,0|0,0,2]=3 539 B15R1.49 C=CCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000225617_100000727212 [0,1,0,0,0,0|0,0,2]=3 540 B15R1.49 C=CCN(C)C(C)Cc1cccc(c1)F 270004a_100000225617_100000687711 [0,1,0,0,0,0|0,0,2]=3 541 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)Br 2230a_100000187585_100009813641 [0,1,0,0,0,0|3,0,0]=4 542 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)Br 269982a_100000187585_100009813641 [0,1,0,0,0,0|3,0,0]=4 543 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)Cl 2230a_100020629429_100009813641 [0,1,0,0,0,0|3,0,0]=4 544 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)Cl 269982a_100020629429_100009813641 [0,1,0,0,0,0|3,0,0]=4 545 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)F 2230a_100000184398_100009813641 [0,1,0,0,0,0|3,0,0]=4 546 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)F 269982a_100000184398_100009813641 [0,1,0,0,0,0|3,0,0]=4 547 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)O 2230a_100000207540_100009813641 [0,1,0,0,0,0|3,0,0]=4 548 B15R1.49 CC(CC#N)N(C)Cc1cccc(c1)O 269982a_100000207540_100009813641 [0,1,0,0,0,0|3,0,0]=4 549 B15R1.49 CC(Cc1cccc(c1)Br)N(C)CCO 270004a_100000210263_100000689217 [0,1,0,0,0,0|1,0,1]=3 550 B15R1.49 CC(Cc1cccc(c1)Cl)N(C)CCO 270004a_100000210263_100000727212 [0,1,0,0,0,0|1,0,1]=3 551 B15R1.49 CC(Cc1cccc(c1)F)N(C)CCO 270004a_100000210263_100000687711 [0,1,0,0,0,0|1,0,1]=3 552 B15R1.49 CCCN(C)C(C)Cc1cc(ccn1)C 270004a_100000747261_200015184229 [0,1,0,0,0,0|1,0,2]=4 553 B15R1.49 CCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000747261_100000689217 [0,1,0,0,0,0|0,0,2]=3 554 B15R1.49 CCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000747261_100000727212 [0,1,0,0,0,0|0,0,2]=3 555 B15R1.49 CCCN(C)C(C)Cc1cccc(c1)F 270004a_100000747261_100000687711 [0,1,0,0,0,0|0,0,2]=3 556 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)Br 11a_100000748184_100000747190 [0,1,0,0,0,0|2,0,1]=4 557 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)Cl 11a_100000748184_100000749307 [0,1,0,0,0,0|2,0,1]=4 558 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)Cl 1626a_100000748184_100000749307 [0,1,0,0,0,0|2,0,1]=4 559 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)F 11a_100000748184_100000211661 [0,1,0,0,0,0|2,0,1]=4 560 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)F 1626a_100000748184_100000211661 [0,1,0,0,0,0|2,0,1]=4 561 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)I 11a_100000748184_100000238430 [0,1,0,0,0,0|2,0,1]=4 562 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)I 1626a_100000748184_100000238430 [0,1,0,0,0,0|2,0,1]=4 563 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CC#N 11a_100000748184_100011206899 [0,1,0,0,0,0|2,0,1]=4 564 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CC#N 1626a_100000748184_100011206899 [0,1,0,0,0,0|2,0,1]=4 565 B15R1.49 Cc1cccc(c1)CN(C)C(C)CC#N 2230a_102495364743_100009813641 [0,1,0,0,0,0|3,0,0]=4 566 B15R1.49 Cc1cccc(c1)CN(C)C(C)CC#N 269982a_102495364743_100009813641 [0,1,0,0,0,0|3,0,0]=4 567 B15R1.49 Cc1ccnc(c1)CC(C)N(C)CCO 270004a_100000210263_200015184229 [0,1,0,0,0,0|2,0,1]=4 568 B15R1.496 C=C(C)CN(C)C(C)C[n+]1ccccc1 270004a_100000225649_100000034229 [0,1,0,0,0,0|1,0,2]=4 569 B15R1.496 C=C(C)CN(C)C(C)Cc1ccccc1 269982a_100000225649_200011218536 [0,1,0,0,0,0|0,0,2]=3 570 B15R1.496 C=C(C)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100000748629 [0,1,0,0,0,0|1,0,2]=4 571 B15R1.496 C=C(C)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100000748629 [0,1,0,0,0,0|1,0,2]=4 572 B15R1.496 C=C(C)CN(C)C(C)Cc1cccnc1 270004a_100000225649_100015187140 [0,1,0,0,0,0|1,0,2]=4 573 B15R1.496 C=C(C)CN(C)C(C)Cc1ccncc1 270004a_100000225649_100000238508 [0,1,0,0,0,0|1,0,2]=4 574 B15R1.496 C=C(F)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100009893438 [0,1,0,0,0,0|1,0,2]=4 575 B15R1.496 C=C(F)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100009893438 [0,1,0,0,0,0|1,0,2]=4 576 B15R1.496 CC(C)CN(C)C(C)C[n+]1ccccc1 270004a_100000747067_100000034229 [0,1,0,0,0,0|1,0,2]=4 577 B15R1.496 CC(C)CN(C)C(C)Cc1ccccc1 269982a_100000747067_200011218536 [0,1,0,0,0,0|0,0,2]=3 578 B15R1.496 CC(C)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210760 [0,1,0,0,0,0|1,0,2]=4 579 B15R1.496 CC(C)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210624 [0,1,0,0,0,0|1,0,2]=4 580 B15R1.496 CC(C)CN(C)C(C)Cc1ccccn1 270004a_200011351704_100000210432 [0,1,0,0,0,0|1,0,2]=4 581 B15R1.496 CC(C)CN(C)C(C)Cc1cccnc1 270004a_100000747067_100015187140 [0,1,0,0,0,0|1,0,2]=4 582 B15R1.496 CC(C)CN(C)C(C)Cc1ccncc1 270004a_100000747067_100000238508 [0,1,0,0,0,0|1,0,2]=4 583 B15R1.496 CC(C[n+]1ccccc1)N(C)CC(=O)N 270004a_100000739694_100000034229 [0,1,0,0,0,0|2,0,1]=4 584 B15R1.496 CC(Cc1ccccc1)N(C)CC(=O)O 269956a_100000746989_200011218536 [0,1,0,0,0,0|1,0,1]=3 585 B15R1.496 CC(Cc1ccccn1)N(C)CC(=O)N 2230a_200011351704_100000747473 [0,1,0,0,0,0|2,0,1]=4 586 B15R1.496 CC(Cc1ccccn1)N(C)CC(=O)N 269982a_200011351704_100000187820 [0,1,0,0,0,0|2,0,1]=4 587 B15R1.496 CC(Cc1ccccn1)N(C)CC(=O)[O-] 269982a_200011351704_100020667443 [0,1,0,0,0,0|2,0,1]=4 588 B15R1.496 CC(Cc1ccccn1)N(C)CC(F)F 2230a_200011351704_100011934356 [0,1,0,0,0,0|2,0,1]=4 589 B15R1.496 CC(Cc1ccccn1)N(C)CC(F)F 269982a_200011351704_100011934356 [0,1,0,0,0,0|2,0,1]=4 590 B15R1.496 CC(Cc1ccccn1)N(C)C[C@@H](C)O 2230a_200011351704_100009817552 [0,1,0,0,0,0|1,0,2]=4 591 B15R1.496 CC(Cc1ccccn1)N(C)C[C@@H](C)O 269982a_200011351704_100009817552 [0,1,0,0,0,0|1,0,2]=4 592 B15R1.496 CC(Cc1ccccn1)N(C)C[N+](=O)[O-] 269982a_200011351704_100000761209 [0,1,0,0,0,0|3,0,0]=4 593 B15R1.496 CC(Cc1cccnc1)N(C)CC(=O)N 270004a_100000739694_100015187140 [0,1,0,0,0,0|2,0,1]=4 594 B15R1.496 CC(Cc1ccncc1)N(C)CC(=O)N 270004a_100000739694_100000238508 [0,1,0,0,0,0|2,0,1]=4 595 B15R1.496 CC(O)CN(C)C(C)C[n+]1ccccc1 270004a_100000227577_100000034229 [0,1,0,0,0,0|1,0,2]=4 596 B15R1.496 CC(O)CN(C)C(C)Cc1ccccc1 269982a_100000227577_200011218536 [0,1,0,0,0,0|0,0,2]=3 597 B15R1.496 CC(O)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100011218427 [0,1,0,0,0,0|1,0,2]=4 598 B15R1.496 CC(O)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100011218427 [0,1,0,0,0,0|1,0,2]=4 599 B15R1.496 CC(O)CN(C)C(C)Cc1cccnc1 270004a_100000227577_100015187140 [0,1,0,0,0,0|1,0,2]=4 600 B15R1.496 CC(O)CN(C)C(C)Cc1ccncc1 270004a_100000227577_100000238508 [0,1,0,0,0,0|1,0,2]=4 601 B15R1.551 C#CCCC(=O)C(C)Cc1ccccc1 1458a_100000692101_200011218536 [0,1,0,0,0,0|2,0,0]=3 602 B15R1.551 C#CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000753159 [0,1,0,0,0,0|2,0,0]=3 603 B15R1.551 C#CCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000753159 [0,1,0,0,0,0|3,0,0]=4 604 B15R1.551 C#CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000753159 [0,1,0,0,0,0|3,0,0]=4 605 B15R1.551 C#CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000753159 [0,1,0,0,0,0|3,0,0]=4 606 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 607 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 608 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 609 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 610 B15R1.551 C#CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000753159 [0,1,0,0,0,0|3,0,0]=4 611 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000688953 [0,1,0,0,0,0|1,0,0]=2 612 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000730999 [0,1,0,0,0,0|1,0,0]=2 613 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 11a_100000212058_100000754839 [0,1,0,0,0,0|2,0,0]=3 614 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 1626a_100000212058_100000754839 [0,1,0,0,0,0|2,0,0]=3 615 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 240690a_100000212058_100000754839 [0,1,0,0,0,0|2,0,0]=3 616 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 527a_100000212058_100000754839 [0,1,0,0,0,0|2,0,0]=3 617 B15R1.551 C#CCNC(=O)C(C)Cc1ccccn1 1626a_100000212058_100012000792 [0,1,0,0,0,0|3,0,0]=4 618 B15R1.551 C#CCNC(=O)C(C)Cc1ccccn1 240690a_100000212058_100012000792 [0,1,0,0,0,0|3,0,0]=4 619 B15R1.551 C#CCNC(=O)C(C)Cc1ccccn1 527a_100000212058_100012000792 [0,1,0,0,0,0|3,0,0]=4 620 B15R1.551 C#CCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000735948 [0,1,0,0,0,0|3,0,0]=4 621 B15R1.551 C#CCNC(=O)C(C)Oc1ccccc1 11a_100000212058_100000188414 [0,1,0,0,0,0|3,0,0]=4 622 B15R1.551 C#CCNC(=O)C(C)Oc1ccccc1 1626a_100000212058_100000188414 [0,1,0,0,0,0|3,0,0]=4 623 B15R1.551 C#CCNC(=O)C(C)Oc1ccccc1 240690a_100000212058_100000188414 [0,1,0,0,0,0|3,0,0]=4 624 B15R1.551 C#CCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000735948 [0,1,0,0,0,0|3,0,0]=4 625 B15R1.551 C#CCNC(=O)C(C)Oc1ccccc1 527a_100000212058_100000188414 [0,1,0,0,0,0|3,0,0]=4 626 B15R1.551 C#CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000735948 [0,1,0,0,0,0|3,0,0]=4 627 B15R1.551 C#CCNC(=O)C(C)Sc1ccccc1 11a_100000212058_100000199063 [0,1,0,0,0,0|3,0,0]=4 628 B15R1.551 C#CCNC(=O)C(C)Sc1ccccc1 1626a_100000212058_100000199063 [0,1,0,0,0,0|3,0,0]=4 629 B15R1.551 C#CCNC(=O)C(C)Sc1ccccc1 240690a_100000212058_100000199063 [0,1,0,0,0,0|3,0,0]=4 630 B15R1.551 C#CCNC(=O)C(C)Sc1ccccc1 527a_100000212058_100000199063 [0,1,0,0,0,0|3,0,0]=4 631 B15R1.551 C#CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000735948 [0,1,0,0,0,0|3,0,0]=4 632 B15R1.551 C#CCNC(=O)C(C)Sc1ccccc1 62a_100000735948_100000041952 [0,1,0,0,0,0|3,0,0]=4 633 B15R1.551 C#CCNC(=O)N(C)Cc1ccccc1 2708a_100000212058_100000186898 [0,1,0,0,0,0|3,0,0]=4 634 B15R1.551 C#CCNC(=O)N(C)Cc1ccccc1 273464a_100000212058_100000186898 [0,1,0,0,0,0|3,0,0]=4 635 B15R1.551 C#CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100000212058_100009816399 [0,1,0,0,0,0|3,0,0]=4 636 B15R1.551 C/C=C/CN(C)C(C)Cc1ccccn1 269982a_200011351704_100102629194 [0,1,0,0,0,0|1,0,2]=4 637 B15R1.551 C=CCCN(C)C(C)C[n+]1ccccc1 270004a_100020639649_100000034229 [0,1,0,0,0,0|1,0,2]=4 638 B15R1.551 C=CCCN(C)C(C)Cc1ccccc1 269982a_100020639649_200011218536 [0,1,0,0,0,0|0,0,2]=3 639 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000754431 [0,1,0,0,0,0|1,0,2]=4 640 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000754431 [0,1,0,0,0,0|1,0,2]=4 641 B15R1.551 C=CCCN(C)C(C)Cc1cccnc1 270004a_100020639649_100015187140 [0,1,0,0,0,0|1,0,2]=4 642 B15R1.551 C=CCCN(C)C(C)Cc1ccncc1 270004a_100020639649_100000238508 [0,1,0,0,0,0|1,0,2]=4 643 B15R1.551 C=CCNC(C)C(C)Cc1ccccc1 270004a_100020586998_200011390852 [0,1,0,0,0,0|1,0,2]=4 644 B15R1.551 CC#CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000748600 [0,1,0,0,0,0|2,0,0]=3 645 B15R1.551 CC#CCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000748600 [0,1,0,0,0,0|3,0,0]=4 646 B15R1.551 CC#CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000748600 [0,1,0,0,0,0|3,0,0]=4 647 B15R1.551 CC#CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000748600 [0,1,0,0,0,0|3,0,0]=4 648 B15R1.551 CC#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000748600 [0,1,0,0,0,0|3,0,0]=4 649 B15R1.551 CC#CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000748600 [0,1,0,0,0,0|1,0,0]=2 650 B15R1.551 CC(C[n+]1ccccc1)N(C)CCC#N 270004a_100000184479_100000034229 [0,1,0,0,0,0|1,0,1]=3 651 B15R1.551 CC(C[n+]1ccccc1)N(C)CCCO 270004a_100000213112_100000034229 [0,1,0,0,0,0|1,0,2]=4 652 B15R1.551 CC(Cc1ccccc1)C(=O)CCC#N 1458a_100000754839_100011215226 [0,1,0,0,0,0|2,0,1]=4 653 B15R1.551 CC(Cc1ccccc1)C(=O)CCC#N 1458a_100011934036_200011218536 [0,1,0,0,0,0|2,0,1]=4 654 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000754839 [0,1,0,0,0,0|3,0,0]=4 655 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N 527a_100000734998_100000754839 [0,1,0,0,0,0|3,0,0]=4 656 B15R1.551 CC(Cc1ccccc1)C(C)NCCF 269862a_100000724931_200011390852 [0,1,0,0,0,0|2,0,1]=4 657 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 269862a_100000210304_200011390852 [0,1,0,0,0,0|2,0,1]=4 658 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 270004a_100000210304_200011390852 [0,1,0,0,0,0|2,0,1]=4 659 B15R1.551 CC(Cc1ccccc1)N(C)CCCO 269982a_100000213112_200011218536 [0,1,0,0,0,0|0,0,2]=3 660 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 2230a_200011351704_100011215226 [0,1,0,0,0,0|1,0,1]=3 661 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 269982a_200011351704_100011215226 [0,1,0,0,0,0|1,0,1]=3 662 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 2230a_200011351704_100011934791 [0,1,0,0,0,0|1,0,2]=4 663 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 269982a_200011351704_100011934791 [0,1,0,0,0,0|1,0,2]=4 664 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 2230a_200011351704_100000230001 [0,1,0,0,0,0|1,0,2]=4 665 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 269982a_200011351704_100011215043 [0,1,0,0,0,0|1,0,2]=4 666 B15R1.551 CC(Cc1ccccn1)N(C)CSC#N 269982a_200011351704_100000211825 [0,1,0,0,0,0|2,0,0]=3 667 B15R1.551 CC(Cc1cccnc1)N(C)CCC#N 270004a_100000184479_100015187140 [0,1,0,0,0,0|1,0,1]=3 668 B15R1.551 CC(Cc1cccnc1)N(C)CCCO 270004a_100000213112_100015187140 [0,1,0,0,0,0|1,0,2]=4 669 B15R1.551 CC(Cc1ccncc1)N(C)CCC#N 270004a_100000184479_100000238508 [0,1,0,0,0,0|1,0,1]=3 670 B15R1.551 CC(Cc1ccncc1)N(C)CCCO 270004a_100000213112_100000238508 [0,1,0,0,0,0|1,0,2]=4 671 B15R1.551 CC(Cc1cnccn1)N(C)CCC#N 270004a_100000184479_100015184882 [0,1,0,0,0,0|2,0,1]=4 672 B15R1.551 CC=CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000070051 [0,1,0,0,0,0|1,0,2]=4 673 B15R1.551 CCCCN(C)C(C)C[n+]1ccccc1 270004a_100000207549_100000034229 [0,1,0,0,0,0|1,0,2]=4 674 B15R1.551 CCCCN(C)C(C)Cc1ccccc1 269982a_100000207549_200011218536 [0,1,0,0,0,0|0,0,2]=3 675 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210211 [0,1,0,0,0,0|1,0,2]=4 676 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210211 [0,1,0,0,0,0|1,0,2]=4 677 B15R1.551 CCCCN(C)C(C)Cc1cccnc1 270004a_100000207549_100015187140 [0,1,0,0,0,0|1,0,2]=4 678 B15R1.551 CCCCN(C)C(C)Cc1ccncc1 270004a_100000207549_100000238508 [0,1,0,0,0,0|1,0,2]=4 679 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 269862a_100020643023_200011390852 [0,1,0,0,0,0|1,0,2]=4 680 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 270004a_100020643023_200011390852 [0,1,0,0,0,0|1,0,2]=4 681 B15R1.551 CCOCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000739092 [0,1,0,0,0,0|1,0,2]=4 682 B15R1.551 COCCN(C)C(C)C[n+]1ccccc1 270004a_100000743101_100000034229 [0,1,0,0,0,0|1,0,2]=4 683 B15R1.551 COCCN(C)C(C)Cc1ccccc1 269982a_100000743101_200011218536 [0,1,0,0,0,0|0,0,2]=3 684 B15R1.551 COCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100011201679 [0,1,0,0,0,0|1,0,2]=4 685 B15R1.551 COCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000233755 [0,1,0,0,0,0|1,0,2]=4 686 B15R1.551 COCCN(C)C(C)Cc1cccnc1 270004a_100000743101_100015187140 [0,1,0,0,0,0|1,0,2]=4 687 B15R1.551 COCCN(C)C(C)Cc1ccncc1 270004a_100000743101_100000238508 [0,1,0,0,0,0|1,0,2]=4 688 B15R1.551 CSCCN(C)C(C)C[n+]1ccccc1 270004a_100000686725_100000034229 [0,1,0,0,0,0|1,0,2]=4 689 B15R1.551 CSCCN(C)C(C)Cc1ccccc1 269982a_100000686725_200011218536 [0,1,0,0,0,0|0,0,2]=3 690 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000751147 [0,1,0,0,0,0|1,0,2]=4 691 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000212216 [0,1,0,0,0,0|1,0,2]=4 692 B15R1.551 CSCCN(C)C(C)Cc1cccnc1 270004a_100000686725_100015187140 [0,1,0,0,0,0|1,0,2]=4 693 B15R1.551 CSCCN(C)C(C)Cc1ccncc1 270004a_100000686725_100000238508 [0,1,0,0,0,0|1,0,2]=4 694 B15R1.578 C#CCC(=O)C(C)C(=O)c1ccccc1 1458a_100011220946_100000239700 [0,1,0,0,0,0|2,0,1]=4 695 B15R1.578 C#CCC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100011220946 [0,1,0,0,0,0|3,0,0]=4 696 B15R1.578 C#CCC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100011220946 [0,1,0,0,0,0|3,0,0]=4 697 B15R1.578 C#CCN(C)C(=O)C(=C)c1ccccc1 1626a_100000225692_100000065200 [0,1,0,0,0,0|1,0,2]=4 698 B15R1.578 C#CCN(C)C(=O)C(C)c1ccccn1 11a_100000225692_100000722050 [0,1,0,0,0,0|2,0,1]=4 699 B15R1.578 C#CCN(C)C(=O)C(C)c1ccccn1 1626a_100000225692_100000722050 [0,1,0,0,0,0|2,0,1]=4 700 B15R1.578 C#CCN(C)C(=O)C(C)c1ccccn1 527a_100000225692_100000722050 [0,1,0,0,0,0|2,0,1]=4 701 B15R1.578 C#CCN(C)C(=O)C(F)c1ccccc1 11a_100000225692_100000698975 [0,1,0,0,0,0|1,0,1]=3 702 B15R1.578 C#CCN(C)C(=O)C(F)c1ccccc1 1626a_100000225692_100000698975 [0,1,0,0,0,0|1,0,1]=3 703 B15R1.578 C#CCN(C)C(=O)C(F)c1ccccc1 527a_100000225692_100000698975 [0,1,0,0,0,0|1,0,1]=3 704 B15R1.578 C#CCN(C)C(=O)[C@@H](C)c1ccccc1 11a_100000225692_100000751047 [0,1,0,0,0,0|1,0,1]=3 705 B15R1.578 C#CCN(C)C(=O)[C@@H](C)c1ccccc1 1626a_100000225692_100000751047 [0,1,0,0,0,0|1,0,1]=3 706 B15R1.578 C#CCN(C)C(=O)[C@@H](C)c1ccccc1 527a_100000225692_100000751047 [0,1,0,0,0,0|1,0,1]=3 707 B15R1.578 C#CCN(C)C(C)C(=O)c1ccccc1 2230a_100000225692_100000239700 [0,1,0,0,0,0|0,0,1]=2 708 B15R1.578 C=CCN(C)C(C)C(=O)c1ccccc1 2230a_100000225617_100000239700 [0,1,0,0,0,0|0,0,3]=4 709 B15R1.578 C=CCN(C)C(C)C(=O)c1ccccc1 269982a_100000225617_100000239700 [0,1,0,0,0,0|0,0,3]=4 710 B15R1.578 CC(C(=O)c1ccccc1)N(C)CC#N 2230a_100000748184_100000239700 [0,1,0,0,0,0|1,0,1]=3 711 B15R1.578 CC(C(=O)c1ccccc1)N(C)CCO 2230a_100000210263_100000239700 [0,1,0,0,0,0|1,0,2]=4 712 B15R1.578 CC(C(=O)c1ccccc1)N(C)CCO 269982a_100000210263_100000239700 [0,1,0,0,0,0|1,0,2]=4 713 B15R1.578 CC(CC#N)N(C)C(C)c1ccccc1 2230a_100000195388_100009813641 [0,1,0,0,0,0|3,0,0]=4 714 B15R1.578 CC(CC#N)N(C)C(C)c1ccccc1 269982a_100000195388_100009813641 [0,1,0,0,0,0|3,0,0]=4 715 B15R1.578 CCCN(C)C(C)C(=O)c1ccccc1 2230a_100000747261_100000239700 [0,1,0,0,0,0|0,0,3]=4 716 B15R1.578 CCCN(C)C(C)C(=O)c1ccccc1 269982a_100000747261_100000239700 [0,1,0,0,0,0|0,0,3]=4 717 B15R1.578 CN(CC#N)C(=O)C(F)c1ccccc1 11a_100000748184_100000698975 [0,1,0,0,0,0|2,0,1]=4 718 B15R1.578 CN(CC#N)C(=O)C(F)c1ccccc1 1626a_100000748184_100000698975 [0,1,0,0,0,0|2,0,1]=4 719 B15R1.578 C[C@H](C(=O)N(C)CC#N)c1ccccc1 11a_100000748184_100000751047 [0,1,0,0,0,0|2,0,1]=4 720 B15R1.578 C[C@H](C(=O)N(C)CC#N)c1ccccc1 1626a_100000748184_100000751047 [0,1,0,0,0,0|2,0,1]=4 721 B15R1.640 C#CCC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_100000184674 [0,1,0,0,0,0|2,0,1]=4 722 B15R1.640 C#CCC(=O)C(C#N)Cc1ccccc1 1458a_100011220946_100000183401 [0,1,0,0,0,0|2,0,1]=4 723 B15R1.640 C#CCC(=O)C(CC)Oc1ccccc1 1458a_100000211556_100000184674 [0,1,0,0,0,0|3,0,0]=4 724 B15R1.640 C#CCC(=O)C(CC)Sc1ccccc1 1458a_100000230495_100000184674 [0,1,0,0,0,0|3,0,0]=4 725 B15R1.640 C#CCC(=O)N(CC)Cc1ccccc1 1626a_100000186914_100011220946 [0,1,0,0,0,0|3,0,0]=4 726 B15R1.640 C#CCC(=O)N(CC)Cc1ccccc1 527a_100000186914_100011220946 [0,1,0,0,0,0|3,0,0]=4 727 B15R1.640 C#CCN(C)C(CC)Cc1ccccc1 270004a_100000225692_100000212045 [0,1,0,0,0,0|0,0,0]=1 728 B15R1.640 C#CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000038162 [0,1,0,0,0,0|0,0,0]=1 729 B15R1.640 C=CCN(C)C(CC)Cc1ccccc1 270004a_100000225617_100000212045 [0,1,0,0,0,0|0,0,2]=3 730 B15R1.640 C=CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210623 [0,1,0,0,0,0|0,0,2]=3 731 B15R1.640 C=CCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210623 [0,1,0,0,0,0|0,0,2]=3 732 B15R1.640 CCC(Cc1ccccc1)N(C)CCO 270004a_100000210263_100000212045 [0,1,0,0,0,0|1,0,1]=3 733 B15R1.640 CCCN(C)C(CC)Cc1ccccc1 270004a_100000747261_100000212045 [0,1,0,0,0,0|0,0,2]=3 734 B15R1.640 CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210303 [0,1,0,0,0,0|0,0,2]=3 735 B15R1.640 CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210303 [0,1,0,0,0,0|0,0,2]=3 736 B15R1.640 CCN(Cc1ccccc1)C(C)CC#N 2230a_100000186914_100009813641 [0,1,0,0,0,0|3,0,0]=4 737 B15R1.640 CCN(Cc1ccccc1)C(C)CC#N 269982a_100000186914_100009813641 [0,1,0,0,0,0|3,0,0]=4 738 B15R1.640 CN(CC#N)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011215382 [0,1,0,0,0,0|1,0,0]=2 739 B15R1.640 CN(CC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011214920 [0,1,0,0,0,0|1,0,0]=2 740 B15R1.640 CN(CC=O)[C@H](CO)Cc1ccccc1 2230a_100016995599_200015260668 [0,1,0,0,0,0|1,0,1]=3 741 B15R1.640 CN(CC=O)[C@H](CO)Cc1ccccc1 269982a_100016995599_200015260668 [0,1,0,0,0,0|1,0,1]=3 742 B15R1.640 CN(CCF)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011217306 [0,1,0,0,0,0|1,0,1]=3 743 B15R1.640 CN(CCF)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011217306 [0,1,0,0,0,0|1,0,1]=3 744 B15R1.640 CN(CCO)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000211926 [0,1,0,0,0,0|1,0,1]=3 745 B15R1.640 CN(CCO)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000211926 [0,1,0,0,0,0|1,0,1]=3 746 B15R1.640 COCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000766300 [0,1,0,0,0,0|1,0,1]=3 747 B15R1.640 COCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000766300 [0,1,0,0,0,0|1,0,1]=3 748 B15R1.640 CSCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011218213 [0,1,0,0,0,0|1,0,1]=3 749 B15R1.640 CSCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011218213 [0,1,0,0,0,0|1,0,1]=3 750 B15R1.973 C#CC(C)C(=O)C(C)Cc1ccccc1 1458a_100000754839_200000035995 [0,1,0,0,0,0|2,0,0]=3 751 B15R1.973 C#CC(C)C(=O)C(C)Cc1ccccn1 1458a_100012000792_200000035995 [0,1,0,0,0,0|3,0,0]=4 752 B15R1.973 C#CC(C)C(=O)C(C)Oc1ccccc1 1458a_100000188414_200000035995 [0,1,0,0,0,0|3,0,0]=4 753 B15R1.973 C#CC(C)C(=O)C(C)Sc1ccccc1 1458a_100000199063_200000035995 [0,1,0,0,0,0|3,0,0]=4 754 B15R1.973 C#CC(C)C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000035995 [0,1,0,0,0,0|3,0,0]=4 755 B15R1.973 C=CC(C)N(C)C(C)Cc1ccccn1 269982a_200011351704_100011215867 [0,1,0,0,0,0|1,0,2]=4 756 B15R1.973 CC(C#N)C(=O)C(C)Cc1ccccc1 1458a_100000753662_200011218536 [0,1,0,0,0,0|3,0,0]=4 757 B15R1.973 CC(C#N)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100000703298 [0,1,0,0,0,0|3,0,0]=4 758 B15R1.973 CC(C#N)N(C)C(C)C[n+]1ccccc1 270004a_100000745055_100000034229 [0,1,0,0,0,0|2,0,0]=3 759 B15R1.973 CC(C#N)N(C)C(C)Cc1ccccn1 2230a_200011351704_100000184139 [0,1,0,0,0,0|2,0,0]=3 760 B15R1.973 CC(C#N)N(C)C(C)Cc1ccccn1 269982a_200011351704_100000703298 [0,1,0,0,0,0|2,0,0]=3 761 B15R1.973 CC(C#N)N(C)C(C)Cc1cccnc1 270004a_100000745055_100015187140 [0,1,0,0,0,0|2,0,0]=3 762 B15R1.973 CC(C#N)N(C)C(C)Cc1ccncc1 270004a_100000745055_100000238508 [0,1,0,0,0,0|2,0,0]=3 763 B15R1.973 CC(C#N)N(C)C(C)Cc1cnccn1 270004a_100000745055_100015184882 [0,1,0,0,0,0|3,0,0]=4 764 B15R1.973 CC(CO)N(C)C(C)C[n+]1ccccc1 270004a_100000693034_100000034229 [0,1,0,0,0,0|2,0,1]=4 765 B15R1.973 CC(CO)N(C)C(C)Cc1ccccc1 269982a_100000693034_200011218536 [0,1,0,0,0,0|1,0,1]=3 766 B15R1.973 CC(CO)N(C)C(C)Cc1ccccn1 2230a_200011351704_100012180447 [0,1,0,0,0,0|2,0,1]=4 767 B15R1.973 CC(CO)N(C)C(C)Cc1cccnc1 270004a_100000693034_100015187140 [0,1,0,0,0,0|2,0,1]=4 768 B15R1.973 CC(CO)N(C)C(C)Cc1ccncc1 270004a_100000693034_100000238508 [0,1,0,0,0,0|2,0,1]=4 769 B15R1.973 CC(Cc1ccccn1)N(C)[C@H](C)CO 269982a_200011351704_100016084084 [0,1,0,0,0,0|2,0,1]=4 770 B15R1.973 CCC(C)N(C)C(C)C[n+]1ccccc1 270004a_100000741768_100000034229 [0,1,0,0,0,0|1,0,2]=4 771 B15R1.973 CCC(C)N(C)C(C)Cc1ccccc1 269982a_100000741768_200011218536 [0,1,0,0,0,0|0,0,2]=3 772 B15R1.973 CCC(C)N(C)C(C)Cc1ccccn1 2230a_200011351704_100000758301 [0,1,0,0,0,0|1,0,2]=4 773 B15R1.973 CCC(C)N(C)C(C)Cc1ccccn1 269982a_200011351704_100000758301 [0,1,0,0,0,0|1,0,2]=4 774 B15R1.973 CCC(C)N(C)C(C)Cc1cccnc1 270004a_100000741768_100015187140 [0,1,0,0,0,0|1,0,2]=4 775 B15R1.973 CCC(C)N(C)C(C)Cc1ccncc1 270004a_100000741768_100000238508 [0,1,0,0,0,0|1,0,2]=4 776 B15R1.973 COC(C)N(C)C(C)Cc1ccccn1 269982a_200011351704_100009879195 [0,1,0,0,0,0|2,0,1]=4 777 B15R1.1289 C#CCN(CC)C(=O)C[n+]1ccccc1 11a_100000744766_200000086051 [0,1,0,0,0,0|2,0,1]=4 778 B15R1.1289 C#CCN(CC)C(=O)C[n+]1ccccc1 240690a_100000744766_200000086051 [0,1,0,0,0,0|2,0,1]=4 779 B15R1.1289 C#CCN(CC)C(=O)C[n+]1ccccc1 527a_100000744766_200000086051 [0,1,0,0,0,0|2,0,1]=4 780 B15R1.1289 C#CCN(CC)C(=O)Cc1ccccn1 11a_100000744766_100000233486 [0,1,0,0,0,0|2,0,1]=4 781 B15R1.1289 C#CCN(CC)C(=O)Cc1cccnc1 11a_100000744766_100000737805 [0,1,0,0,0,0|2,0,1]=4 782 B15R1.1289 C#CCN(CC)C(=O)Cc1cccnc1 240690a_100000744766_100000737805 [0,1,0,0,0,0|2,0,1]=4 783 B15R1.1289 C#CCN(CC)C(=O)Cc1cccnc1 527a_100000744766_100000737805 [0,1,0,0,0,0|2,0,1]=4 784 B15R1.1289 C#CCN(CC)C(=O)Cc1ccncc1 11a_100000744766_100011201483 [0,1,0,0,0,0|2,0,1]=4 785 B15R1.1289 C#CCN(CC)C(=O)Cc1ccncc1 240690a_100000744766_100011201483 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.1289 C#CCN(CC)C(=O)Nc1ccccc1 2430a_100000106764_100000744766 [0,1,0,0,0,0|2,0,1]=4 787 B15R1.1289 C#CCN(CC)C(C)C[n+]1ccccc1 270004a_100000744766_100000034229 [0,1,0,0,0,0|1,0,0]=2 788 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 2230a_100000705463_100000210202 [0,1,0,0,0,0|0,0,0]=1 789 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 269982a_100000705463_100000204670 [0,1,0,0,0,0|0,0,0]=1 790 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 269982a_100000744766_200011218536 [0,1,0,0,0,0|0,0,0]=1 791 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 34a_100000705463_100000210202 [0,1,0,0,0,0|0,0,0]=1 792 B15R1.1289 C#CCN(CC)C(C)Cc1cccnc1 270004a_100000744766_100015187140 [0,1,0,0,0,0|1,0,0]=2 793 B15R1.1289 C#CCN(CC)C(C)Cc1ccncc1 270004a_100000744766_100000238508 [0,1,0,0,0,0|1,0,0]=2 794 B15R1.1289 C#CCN(CC)C(C)Cc1cnccn1 270004a_100000744766_100015184882 [0,1,0,0,0,0|2,0,0]=3 795 B15R1.1289 C#CCN(CF)C(C)Cc1ccccc1 269982a_100000705463_100015361967 [0,1,0,0,0,0|0,0,0]=1 796 B15R1.1289 C#CCN(CF)C(C)Cc1ccccc1 34a_100000705463_100015361967 [0,1,0,0,0,0|0,0,0]=1 797 B15R1.1289 CCCN(CC)C(C)C[n+]1ccccc1 270004a_100000226822_100000034229 [0,1,0,0,0,0|1,0,2]=4 798 B15R1.1289 CCCN(CC)C(C)Cc1ccccc1 269982a_100000226822_200011218536 [0,1,0,0,0,0|0,0,2]=3 799 B15R1.1289 CCCN(CC)C(C)Cc1cccnc1 270004a_100000226822_100015187140 [0,1,0,0,0,0|1,0,2]=4 800 B15R1.1289 CCCN(CC)C(C)Cc1ccncc1 270004a_100000226822_100000238508 [0,1,0,0,0,0|1,0,2]=4 801 B15R1.1289 CCN(CCO)C(C)C[n+]1ccccc1 270004a_100000210973_100000034229 [0,1,0,0,0,0|2,0,1]=4 802 B15R1.1289 CCN(CCO)C(C)Cc1ccccc1 269982a_100000210973_200011218536 [0,1,0,0,0,0|1,0,1]=3 803 B15R1.1289 CCN(CCO)C(C)Cc1cccnc1 270004a_100000210973_100015187140 [0,1,0,0,0,0|2,0,1]=4 804 B15R1.1289 CCN(CCO)C(C)Cc1ccncc1 270004a_100000210973_100000238508 [0,1,0,0,0,0|2,0,1]=4 805 B15R1.3960 C#CCC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_100000184674 [0,1,0,0,0,0|3,0,0]=4 806 B15R1.3960 C#CCC(=O)C(C)Oc1ccccc1C 1458a_100000189243_100000184674 [0,1,0,0,0,0|3,0,0]=4 807 B15R1.3960 C#CCC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_100000184674 [0,1,0,0,0,0|3,0,0]=4 808 B15R1.3960 C#CCC(=O)C(C)Oc1ccccc1F 1458a_100000191191_100000184674 [0,1,0,0,0,0|3,0,0]=4 809 B15R1.3960 C#CCC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_100000184674 [0,1,0,0,0,0|3,0,0]=4 810 B15R1.3960 C#CCC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_100000184674 [0,1,0,0,0,0|3,0,0]=4 811 B15R1.3960 C#CCC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_100000184674 [0,1,0,0,0,0|3,0,0]=4 812 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Br 1626a_100000184654_100011220946 [0,1,0,0,0,0|3,0,0]=4 813 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Br 527a_100000184654_100011220946 [0,1,0,0,0,0|3,0,0]=4 814 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1C 1626a_100000184421_100011220946 [0,1,0,0,0,0|3,0,0]=4 815 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1C 527a_100000184421_100011220946 [0,1,0,0,0,0|3,0,0]=4 816 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100011220946 [0,1,0,0,0,0|3,0,0]=4 817 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100011220946 [0,1,0,0,0,0|3,0,0]=4 818 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1F 1626a_100000742528_100011220946 [0,1,0,0,0,0|3,0,0]=4 819 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1F 527a_100000742528_100011220946 [0,1,0,0,0,0|3,0,0]=4 820 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1O 527a_100015189988_100011220946 [0,1,0,0,0,0|3,0,0]=4 821 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1Br 11a_100000225692_100000751119 [0,1,0,0,0,0|1,0,1]=3 822 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1Br 527a_100000225692_100000751119 [0,1,0,0,0,0|1,0,1]=3 823 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1C 11a_100000225692_100000212180 [0,1,0,0,0,0|1,0,1]=3 824 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1C 1626a_100000225692_100000212180 [0,1,0,0,0,0|1,0,1]=3 825 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1C 527a_100000225692_100000212180 [0,1,0,0,0,0|1,0,1]=3 826 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1Cl 11a_100000225692_100000183793 [0,1,0,0,0,0|1,0,1]=3 827 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1Cl 1626a_100000225692_100000183793 [0,1,0,0,0,0|1,0,1]=3 828 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1Cl 527a_100000225692_100000183793 [0,1,0,0,0,0|1,0,1]=3 829 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1F 11a_100000225692_100000212012 [0,1,0,0,0,0|1,0,1]=3 830 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1F 1626a_100000225692_100000212012 [0,1,0,0,0,0|1,0,1]=3 831 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1F 527a_100000225692_100000212012 [0,1,0,0,0,0|1,0,1]=3 832 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1I 11a_100000225692_100000036491 [0,1,0,0,0,0|1,0,1]=3 833 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1I 1626a_100000225692_100000036491 [0,1,0,0,0,0|1,0,1]=3 834 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1I 527a_100000225692_100000036491 [0,1,0,0,0,0|1,0,1]=3 835 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1O 527a_100000225692_100000743006 [0,1,0,0,0,0|1,0,1]=3 836 B15R1.3960 C#CCN(C)C(=O)Cc1cccnc1Cl 11a_100000225692_100000093521 [0,1,0,0,0,0|2,0,1]=4 837 B15R1.3960 C#CCN(C)C(=O)Cc1cccnc1Cl 1626a_100000225692_100000093521 [0,1,0,0,0,0|2,0,1]=4 838 B15R1.3960 C#CCN(C)C(=O)Cc1cccnc1Cl 527a_100000225692_100000093521 [0,1,0,0,0,0|2,0,1]=4 839 B15R1.3960 C#CCN(C)C(=O)Cc1ncccc1Br 11a_100000225692_200012357574 [0,1,0,0,0,0|2,0,1]=4 840 B15R1.3960 C#CCN(C)C(=O)Cc1ncccc1C 11a_100000225692_200000722269 [0,1,0,0,0,0|2,0,1]=4 841 B15R1.3960 C#CCN(C)C(=O)Cc1ncccc1C 1626a_100000225692_200000722269 [0,1,0,0,0,0|2,0,1]=4 842 B15R1.3960 C#CCN(C)C(=O)Cc1ncccc1Cl 11a_100000225692_100011998755 [0,1,0,0,0,0|2,0,1]=4 843 B15R1.3960 C#CCN(C)C(=O)Cc1ncccc1Cl 527a_100000225692_100011998755 [0,1,0,0,0,0|2,0,1]=4 844 B15R1.3960 C#CCN(C)C(=O)Cn1ccccc1=O 1626a_100000225692_100000189665 [0,1,0,0,0,0|2,0,1]=4 845 B15R1.3960 C#CCN(C)C(=O)Cn1ccccc1=O 527a_100000225692_100000189665 [0,1,0,0,0,0|2,0,1]=4 846 B15R1.3960 C#CCN(C)C(=O)Nc1ccccc1Br 2430a_100000210017_100000225692 [0,1,0,0,0,0|2,0,1]=4 847 B15R1.3960 C#CCN(C)C(=O)Nc1ccccc1C 2430a_100015192222_100000225692 [0,1,0,0,0,0|2,0,1]=4 848 B15R1.3960 C#CCN(C)C(=O)Nc1ccccc1Cl 2430a_100000185783_100000225692 [0,1,0,0,0,0|2,0,1]=4 849 B15R1.3960 C#CCN(C)C(=O)Nc1ccccc1F 2430a_100000210422_100000225692 [0,1,0,0,0,0|2,0,1]=4 850 B15R1.3960 C#CCN(C)C(=O)Nc1ccccc1I 2430a_100000210053_100000225692 [0,1,0,0,0,0|2,0,1]=4 851 B15R1.3960 C#CCN(C)C(=O)Nc1ccccc1O 2430a_100000185747_100000225692 [0,1,0,0,0,0|2,0,1]=4 852 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1Br 270004a_100000225692_100011350739 [0,1,0,0,0,0|0,0,0]=1 853 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1C 270004a_100000225692_200000764500 [0,1,0,0,0,0|0,0,0]=1 854 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1Cl 270004a_100000225692_100000758791 [0,1,0,0,0,0|0,0,0]=1 855 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1F 270004a_100000225692_100000709178 [0,1,0,0,0,0|0,0,0]=1 856 B15R1.3960 C#CCN(C)C(C)Cc1ncccc1C 270004a_100000225692_100011823981 [0,1,0,0,0,0|1,0,0]=2 857 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1Br 270004a_100000225617_100011350739 [0,1,0,0,0,0|0,0,2]=3 858 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1C 270004a_100000225617_200000764500 [0,1,0,0,0,0|0,0,2]=3 859 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1Cl 270004a_100000225617_100000758791 [0,1,0,0,0,0|0,0,2]=3 860 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1F 270004a_100000225617_100000709178 [0,1,0,0,0,0|0,0,2]=3 861 B15R1.3960 C=CCN(C)C(C)Cc1ncccc1C 270004a_100000225617_100011823981 [0,1,0,0,0,0|1,0,2]=4 862 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1Br 2230a_100000184654_100009813641 [0,1,0,0,0,0|3,0,0]=4 863 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1Br 269982a_100000184654_100009813641 [0,1,0,0,0,0|3,0,0]=4 864 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1Cl 2230a_100000184507_100009813641 [0,1,0,0,0,0|3,0,0]=4 865 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1Cl 269982a_100000184507_100009813641 [0,1,0,0,0,0|3,0,0]=4 866 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1F 2230a_100000742528_100009813641 [0,1,0,0,0,0|3,0,0]=4 867 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1F 269982a_100000742528_100009813641 [0,1,0,0,0,0|3,0,0]=4 868 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1O 2230a_100015189988_100009813641 [0,1,0,0,0,0|3,0,0]=4 869 B15R1.3960 CC(CC#N)N(C)Cc1ccccc1O 269982a_100015189988_100009813641 [0,1,0,0,0,0|3,0,0]=4 870 B15R1.3960 CC(Cc1ccccc1Br)N(C)CCO 270004a_100000210263_100011350739 [0,1,0,0,0,0|1,0,1]=3 871 B15R1.3960 CC(Cc1ccccc1Cl)N(C)CCO 270004a_100000210263_100000758791 [0,1,0,0,0,0|1,0,1]=3 872 B15R1.3960 CC(Cc1ccccc1F)N(C)CCO 270004a_100000210263_100000709178 [0,1,0,0,0,0|1,0,1]=3 873 B15R1.3960 CCCN(C)C(C)Cc1ccccc1Br 270004a_100000747261_100011350739 [0,1,0,0,0,0|0,0,2]=3 874 B15R1.3960 CCCN(C)C(C)Cc1ccccc1C 270004a_100000747261_200000764500 [0,1,0,0,0,0|0,0,2]=3 875 B15R1.3960 CCCN(C)C(C)Cc1ccccc1Cl 270004a_100000747261_100000758791 [0,1,0,0,0,0|0,0,2]=3 876 B15R1.3960 CCCN(C)C(C)Cc1ccccc1F 270004a_100000747261_100000709178 [0,1,0,0,0,0|0,0,2]=3 877 B15R1.3960 CCCN(C)C(C)Cc1ncccc1C 270004a_100000747261_100011823981 [0,1,0,0,0,0|1,0,2]=4 878 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1Br 11a_100000748184_100000751119 [0,1,0,0,0,0|2,0,1]=4 879 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1Cl 11a_100000748184_100000183793 [0,1,0,0,0,0|2,0,1]=4 880 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1Cl 1626a_100000748184_100000183793 [0,1,0,0,0,0|2,0,1]=4 881 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1F 11a_100000748184_100000212012 [0,1,0,0,0,0|2,0,1]=4 882 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1F 1626a_100000748184_100000212012 [0,1,0,0,0,0|2,0,1]=4 883 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1I 11a_100000748184_100000036491 [0,1,0,0,0,0|2,0,1]=4 884 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1I 1626a_100000748184_100000036491 [0,1,0,0,0,0|2,0,1]=4 885 B15R1.3960 Cc1ccccc1CC(=O)N(C)CC#N 11a_100000748184_100000212180 [0,1,0,0,0,0|2,0,1]=4 886 B15R1.3960 Cc1ccccc1CC(=O)N(C)CC#N 1626a_100000748184_100000212180 [0,1,0,0,0,0|2,0,1]=4 887 B15R1.3960 Cc1ccccc1CC(C)N(C)CCO 270004a_100000210263_200000764500 [0,1,0,0,0,0|1,0,1]=3 888 B15R1.3960 Cc1ccccc1CN(C)C(C)CC#N 2230a_100000184421_100009813641 [0,1,0,0,0,0|3,0,0]=4 889 B15R1.3960 Cc1ccccc1CN(C)C(C)CC#N 269982a_100000184421_100009813641 [0,1,0,0,0,0|3,0,0]=4 890 B15R1.3960 Cc1cccnc1CC(C)N(C)CCO 270004a_100000210263_100011823981 [0,1,0,0,0,0|2,0,1]=4 891 B15R1.10540 C#CCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000184674 [0,1,0,0,0,0|2,0,0]=3 892 B15R1.10540 C#CCC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_100000184674 [0,1,0,0,0,0|3,0,0]=4 893 B15R1.10540 C#CCN(C)S(=O)(=O)Cc1ccccc1 274078a_100000225692_100000211737 [0,1,0,0,0,0|2,0,0]=3 894 B15R1.10540 C#CCN(C)S(=O)(=O)Cc1ccccc1 40a_100000225692_100000235865 [0,1,0,0,0,0|2,0,0]=3 895 B15R1.10540 CC(C)(Cc1ccccc1)C(=O)CC#N 1458a_100000757416_100011214920 [0,1,0,0,0,0|3,0,0]=4 896 B15R1.10540 CN(CC#N)S(=O)(=O)Cc1ccccc1 274078a_100000748184_100000211737 [0,1,0,0,0,0|3,0,0]=4 897 B15R1.10540 CN(CC#N)S(=O)(=O)Cc1ccccc1 40a_100000748184_100000235865 [0,1,0,0,0,0|3,0,0]=4 898 B15R2.38 CN1CCCCC1Cc2ccccc2 2230a_100000748602_200000210301 [0,0,0,1,0,0|0,0,2]=3 899 B15R2.38 CN1CCCCC1Cc2ccccc2 269982a_100000748602_200000210301 [0,0,0,1,0,0|0,0,2]=3 900 B15R2.38 CN1CCCCC1Cc2ccccc2 34a_100000748602_200000210301 [0,0,0,1,0,0|0,0,2]=3 901 B15R2.38 CN1CCCCC1Cc2ccccn2 2230a_100011997240_200000210301 [0,0,0,1,0,0|1,0,2]=4 902 B15R2.38 CN1CCCCC1Cc2ccccn2 269982a_100011997240_200000210301 [0,0,0,1,0,0|1,0,2]=4 903 B15R2.38 CN1CCCCC1Cc2ccccn2 34a_100011997240_200000210301 [0,0,0,1,0,0|1,0,2]=4 904 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200000210301 [0,0,0,1,0,0|1,0,1]=3 905 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200000210301 [0,0,0,1,0,0|1,0,1]=3 906 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200000210301 [0,0,0,1,0,0|1,0,1]=3 907 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 2230a_100000748602_200025704644 [0,0,0,1,0,0|0,0,2]=3 908 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 269982a_100000748602_200025704644 [0,0,0,1,0,0|0,0,2]=3 909 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 34a_100000748602_200025704644 [0,0,0,1,0,0|0,0,2]=3 910 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 2230a_100011997240_200025704644 [0,0,0,1,0,0|1,0,2]=4 911 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 269982a_100011997240_200025704644 [0,0,0,1,0,0|1,0,2]=4 912 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 34a_100011997240_200025704644 [0,0,0,1,0,0|1,0,2]=4 913 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200025704644 [0,0,0,1,0,0|1,0,1]=3 914 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200025704644 [0,0,0,1,0,0|1,0,1]=3 915 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200025704644 [0,0,0,1,0,0|1,0,1]=3 916 B15R2.64 CC(C[n+]1ccccc1)N2CCCC2 270004a_100000188435_100000034229 [0,0,0,1,0,0|1,0,2]=4 917 B15R2.64 CC(C[n+]1ccccc1)N2CCSC2 270004a_100011215254_100000034229 [0,0,0,1,0,0|2,0,1]=4 918 B15R2.64 CC(Cc1ccccc1)N2CC=CC2 269982a_100015195280_200011218536 [0,0,0,1,0,0|0,0,2]=3 919 B15R2.64 CC(Cc1ccccc1)N2CCCC2 269982a_100000188435_200011218536 [0,0,0,1,0,0|0,0,2]=3 920 B15R2.64 CC(Cc1ccccc1)N2CCSC2 269982a_100011215254_200011218536 [0,0,0,1,0,0|1,0,1]=3 921 B15R2.64 CC(Cc1cccnc1)N2CCCC2 270004a_100000188435_100015187140 [0,0,0,1,0,0|1,0,2]=4 922 B15R2.64 CC(Cc1cccnc1)N2CCSC2 270004a_100011215254_100015187140 [0,0,0,1,0,0|2,0,1]=4 923 B15R2.64 CC(Cc1ccncc1)N2CCCC2 270004a_100000188435_100000238508 [0,0,0,1,0,0|1,0,2]=4 924 B15R2.64 CC(Cc1ccncc1)N2CCSC2 270004a_100011215254_100000238508 [0,0,0,1,0,0|2,0,1]=4 925 B15R2.596 CC(C[n+]1ccccc1)N2CC(C2)F 270004a_100000690557_100000034229 [0,0,0,1,0,0|2,0,1]=4 926 B15R2.596 CC(Cc1ccccc1)N2CC(C2)F 269982a_100000690557_200011218536 [0,0,0,1,0,0|1,0,1]=3 927 B15R2.596 CC(Cc1ccccc1)N2CC(C2)F 34a_100000690557_200011218536 [0,0,0,1,0,0|1,0,1]=3 928 B15R2.596 CC(Cc1ccccc1)N2CC(C2)O 269982a_100000749847_200011218536 [0,0,0,1,0,0|1,0,1]=3 929 B15R2.596 CC(Cc1cccnc1)N2CC(C2)F 270004a_100000690557_100015187140 [0,0,0,1,0,0|2,0,1]=4 930 B15R2.596 CC(Cc1ccncc1)N2CC(C2)F 270004a_100000690557_100000238508 [0,0,0,1,0,0|2,0,1]=4 931 B15R2.596 CC1CN(C1)C(C)C[n+]2ccccc2 270004a_100000702820_100000034229 [0,0,0,1,0,0|1,0,2]=4 932 B15R2.596 CC1CN(C1)C(C)Cc2ccccc2 269982a_100000702820_200011218536 [0,0,0,1,0,0|0,0,2]=3 933 B15R2.596 CC1CN(C1)C(C)Cc2ccccc2 34a_100000702820_200011218536 [0,0,0,1,0,0|0,0,2]=3 934 B15R2.596 CC1CN(C1)C(C)Cc2cccnc2 270004a_100000702820_100015187140 [0,0,0,1,0,0|1,0,2]=4 935 B15R2.596 CC1CN(C1)C(C)Cc2ccncc2 270004a_100000702820_100000238508 [0,0,0,1,0,0|1,0,2]=4 936 B15R2.1342 C#CCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000184674 [0,0,0,1,0,0|3,0,0]=4 937 B15R2.1342 C#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000184674 [0,0,0,1,0,0|2,0,0]=3 938 B15R2.1342 N#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011214920 [0,0,0,1,0,0|3,0,0]=4 939 B15R2.1356 C#CCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000184674 [0,0,0,1,0,0|2,0,0]=3 940 B15R2.1356 C#CCC(=O)C1Cc2ccccc2C1 1458a_100011220946_100000753484 [0,0,0,1,0,0|2,0,0]=3 941 B15R2.1356 C#CCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000184674 [0,0,0,1,0,0|3,0,0]=4 942 B15R2.1356 C#CCC(=O)C1Cc2ccccc2S1 1458a_100000024912_100000184674 [0,0,0,1,0,0|3,0,0]=4 943 B15R2.1356 C#CCC(=O)N1Cc2ccccc2C1 1626a_100000752595_100011220946 [0,0,0,1,0,0|3,0,0]=4 944 B15R2.1356 C#CCC(=O)N1Cc2ccccc2C1 527a_100000752595_100011220946 [0,0,0,1,0,0|3,0,0]=4 945 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000038162 [0,0,0,1,0,0|0,0,0]=1 946 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 34a_100000225692_100000753484 [0,0,0,1,0,0|0,0,0]=1 947 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000184674 [0,0,0,1,0,0|0,0,0]=1 948 B15R2.1356 C#CCN(C)c1nc2ccccc2[nH]1 27a_100000225692_100009814255 [0,0,0,1,0,0|2,0,1]=4 949 B15R2.1356 C#CCN(C)c1nc2ccccc2s1 27a_100000225692_100000751744 [0,0,0,1,0,0|2,0,1]=4 950 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210623 [0,0,0,1,0,0|0,0,2]=3 951 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 269982a_100000225617_100000753484 [0,0,0,1,0,0|0,0,2]=3 952 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210623 [0,0,0,1,0,0|0,0,2]=3 953 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 34a_100016990990_100015514636 [0,0,0,1,0,0|0,0,2]=3 954 B15R2.1356 CC(CC#N)N1Cc2ccccc2C1 2230a_100000752595_100009813641 [0,0,0,1,0,0|3,0,0]=4 955 B15R2.1356 CC(CC#N)N1Cc2ccccc2C1 269982a_100000752595_100009813641 [0,0,0,1,0,0|3,0,0]=4 956 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210303 [0,0,0,1,0,0|0,0,2]=3 957 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 269982a_100000747261_100000753484 [0,0,0,1,0,0|0,0,2]=3 958 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210303 [0,0,0,1,0,0|0,0,2]=3 959 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000210303 [0,0,0,1,0,0|0,0,2]=3 960 B15R2.1356 CN(CC#N)C1Cc2ccccc2C1 2230a_100016990990_100011215382 [0,0,0,1,0,0|1,0,0]=2 961 B15R2.1356 CN(CC#N)C1Cc2ccccc2C1 269982a_100016990990_100011214920 [0,0,0,1,0,0|1,0,0]=2 962 B15R2.1356 CN(CC=O)C1Cc2ccccc2C1 2230a_100016990990_200015260668 [0,0,0,1,0,0|1,0,1]=3 963 B15R2.1356 CN(CC=O)C1Cc2ccccc2C1 269982a_100016990990_200015260668 [0,0,0,1,0,0|1,0,1]=3 964 B15R2.1356 CN(CC=O)C1Cc2ccccc2C1 34a_100016990990_200009817547 [0,0,0,1,0,0|1,0,1]=3 965 B15R2.1356 CN(CCF)C1Cc2ccccc2C1 2230a_100016990990_100011217306 [0,0,0,1,0,0|1,0,1]=3 966 B15R2.1356 CN(CCF)C1Cc2ccccc2C1 269982a_100016990990_100011217306 [0,0,0,1,0,0|1,0,1]=3 967 B15R2.1356 CN(CCF)C1Cc2ccccc2C1 34a_100016990990_100011217306 [0,0,0,1,0,0|1,0,1]=3 968 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 2230a_100016990990_100000211926 [0,0,0,1,0,0|1,0,1]=3 969 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 269982a_100000210263_100000753484 [0,0,0,1,0,0|1,0,1]=3 970 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 269982a_100016990990_100000211926 [0,0,0,1,0,0|1,0,1]=3 971 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 34a_100016990990_100000211926 [0,0,0,1,0,0|1,0,1]=3 972 B15R2.1356 COCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000766300 [0,0,0,1,0,0|1,0,1]=3 973 B15R2.1356 COCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000766300 [0,0,0,1,0,0|1,0,1]=3 974 B15R2.1356 CSCN(C)C1Cc2ccccc2C1 2230a_100016990990_100011218213 [0,0,0,1,0,0|1,0,1]=3 975 B15R2.1356 CSCN(C)C1Cc2ccccc2C1 269982a_100016990990_100011218213 [0,0,0,1,0,0|1,0,1]=3 976 B15R2.1356 CSCN(C)C1Cc2ccccc2C1 34a_100016990990_100011218213 [0,0,0,1,0,0|1,0,1]=3 977 B15R2.1356 N#CCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100011214920 [0,0,0,1,0,0|3,0,0]=4 978 B15R2.1356 N#CCC(=O)C1Cc2ccccc2C1 1458a_100051588842_100000753484 [0,0,0,1,0,0|3,0,0]=4 979 B15R2.16454 CC(C[n+]1ccccc1)N(C)C2CC2 270004a_100000226674_100000034229 [0,0,0,1,0,0|1,0,2]=4 980 B15R2.16454 CC(Cc1ccccc1)N(C)C2CC2 269982a_100000226674_200011218536 [0,0,0,1,0,0|0,0,2]=3 981 B15R2.16454 CC(Cc1ccccn1)N(C)C2CC2 269982a_200011351704_100000211595 [0,0,0,1,0,0|1,0,2]=4 982 B15R2.16454 CC(Cc1cccnc1)N(C)C2CC2 270004a_100000226674_100015187140 [0,0,0,1,0,0|1,0,2]=4 983 B15R2.16454 CC(Cc1ccncc1)N(C)C2CC2 270004a_100000226674_100000238508 [0,0,0,1,0,0|1,0,2]=4 984 B13R1.47 C#CCC(=O)C(C)c1ccccc1 1458a_100011220946_100000230085 [0,0,0,0,1,0|2,0,0]=3 985 B13R1.47 C#CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000184674 [0,0,0,0,1,0|3,0,0]=4 986 B13R1.47 C#CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000184674 [0,0,0,0,1,0|3,0,0]=4 987 B13R1.47 C#CCC(=O)N(C)c1ccccc1 1626a_100000210012_100011220946 [0,0,0,0,1,0|3,0,0]=4 988 B13R1.47 C#CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000184674 [0,0,0,0,1,0|2,0,0]=3 989 B13R1.47 C#CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000184674 [0,0,0,0,1,0|3,0,0]=4 990 B13R1.47 C#CCN(C)C(=O)c1ccccc1 11a_100000225692_100000185807 [0,0,0,0,1,0|1,0,1]=3 991 B13R1.47 C#CCN(C)C(=O)c1ccccc1 1626a_100000225692_100000185807 [0,0,0,0,1,0|1,0,1]=3 992 B13R1.47 C#CCN(C)C(=O)c1ccccc1 527a_100000225692_100000185807 [0,0,0,0,1,0|1,0,1]=3 993 B13R1.47 C#CCN(C)C(C)c1ccccc1 2230a_100000195388_100000038162 [0,0,0,0,1,0|0,0,0]=1 994 B13R1.47 C#CCN(C)C(C)c1ccccc1 2230a_100000225692_100000230085 [0,0,0,0,1,0|0,0,0]=1 995 B13R1.47 C#CCN(C)C(C)c1ccccc1 2230a_200000216251_200000210301 [0,0,0,0,1,0|0,0,0]=1 996 B13R1.47 C#CCN(C)C(C)c1ccccc1 269982a_200000216251_200000210301 [0,0,0,0,1,0|0,0,0]=1 997 B13R1.47 C#CCN(C)C(C)c1ccccc1 34a_100000225692_100000211855 [0,0,0,0,1,0|0,0,0]=1 998 B13R1.47 C#CCN(C)C(C)c1ccccc1 34a_200000216251_200000210301 [0,0,0,0,1,0|0,0,0]=1 999 B13R1.47 C#CCN(C)C(C)c1ccccn1 2230a_100000231138_100000038162 [0,0,0,0,1,0|1,0,0]=2 1000 B13R1.47 C#CCN(C)C(C)c1cccnc1 2230a_100000232774_100000038162 [0,0,0,0,1,0|1,0,0]=2 1001 B13R1.47 C#CCN(C)C(C)c1ccncc1 2230a_100000231139_100000038162 [0,0,0,0,1,0|1,0,0]=2 1002 B13R1.47 C#CCN(C)C(C)c1cnccn1 2230a_100000225692_200000703233 [0,0,0,0,1,0|2,0,0]=3 1003 B13R1.47 C#CCN(C)C(C)c1ncccn1 270004a_100000225692_100011350828 [0,0,0,0,1,0|2,0,0]=3 1004 B13R1.47 C#CCN([13CH3])C(C)c1ccccc1 2230a_200000216251_200025704644 [0,0,0,0,1,0|0,0,0]=1 1005 B13R1.47 C#CCN([13CH3])C(C)c1ccccc1 269982a_200000216251_200025704644 [0,0,0,0,1,0|0,0,0]=1 1006 B13R1.47 C#CCN([13CH3])C(C)c1ccccc1 34a_200000216251_200025704644 [0,0,0,0,1,0|0,0,0]=1 1007 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210623 [0,0,0,0,1,0|0,0,2]=3 1008 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000225617_100000230085 [0,0,0,0,1,0|0,0,2]=3 1009 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000195388_100000210623 [0,0,0,0,1,0|0,0,2]=3 1010 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000225617_100000230085 [0,0,0,0,1,0|0,0,2]=3 1011 B13R1.47 C=CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210623 [0,0,0,0,1,0|1,0,2]=4 1012 B13R1.47 C=CCN(C)C(C)c1ccccn1 269982a_100000231138_100000210623 [0,0,0,0,1,0|1,0,2]=4 1013 B13R1.47 C=CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210623 [0,0,0,0,1,0|1,0,2]=4 1014 B13R1.47 C=CCN(C)C(C)c1cccnc1 269982a_100000232774_100000210623 [0,0,0,0,1,0|1,0,2]=4 1015 B13R1.47 C=CCN(C)C(C)c1ccncc1 2230a_100000231139_100000210623 [0,0,0,0,1,0|1,0,2]=4 1016 B13R1.47 C=CCN(C)C(C)c1ccncc1 269982a_100000231139_100000210623 [0,0,0,0,1,0|1,0,2]=4 1017 B13R1.47 CC(C(=O)CC#N)c1ccccc1 1458a_100051588842_100000230085 [0,0,0,0,1,0|3,0,0]=4 1018 B13R1.47 CC(CC#N)N(C)c1ccccc1 2230a_100000210012_100009813641 [0,0,0,0,1,0|3,0,0]=4 1019 B13R1.47 CC(CC#N)N(C)c1ccccc1 269982a_100000210012_100009813641 [0,0,0,0,1,0|3,0,0]=4 1020 B13R1.47 CC(c1ccccc1)N(C)CC#N 2230a_100000195388_100011215382 [0,0,0,0,1,0|1,0,0]=2 1021 B13R1.47 CC(c1ccccc1)N(C)CC#N 2230a_100000748184_100000230085 [0,0,0,0,1,0|1,0,0]=2 1022 B13R1.47 CC(c1ccccc1)N(C)CC#N 269982a_100000195388_100011214920 [0,0,0,0,1,0|1,0,0]=2 1023 B13R1.47 CC(c1ccccc1)N(C)CC=O 2230a_100000195388_200015260668 [0,0,0,0,1,0|1,0,1]=3 1024 B13R1.47 CC(c1ccccc1)N(C)CC=O 269982a_100000195388_200015260668 [0,0,0,0,1,0|1,0,1]=3 1025 B13R1.47 CC(c1ccccc1)N(C)CCF 2230a_100000195388_100011217306 [0,0,0,0,1,0|1,0,1]=3 1026 B13R1.47 CC(c1ccccc1)N(C)CCF 269982a_100000195388_100011217306 [0,0,0,0,1,0|1,0,1]=3 1027 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [0,0,0,0,1,0|1,0,1]=3 1028 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [0,0,0,0,1,0|1,0,1]=3 1029 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [0,0,0,0,1,0|1,0,1]=3 1030 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [0,0,0,0,1,0|1,0,1]=3 1031 B13R1.47 CC(c1ccccn1)N(C)CC#N 2230a_100000231138_100011215382 [0,0,0,0,1,0|2,0,0]=3 1032 B13R1.47 CC(c1ccccn1)N(C)CC#N 269982a_100000231138_100011214920 [0,0,0,0,1,0|2,0,0]=3 1033 B13R1.47 CC(c1ccccn1)N(C)CC=O 2230a_100000231138_200015260668 [0,0,0,0,1,0|2,0,1]=4 1034 B13R1.47 CC(c1ccccn1)N(C)CC=O 269982a_100000231138_200015260668 [0,0,0,0,1,0|2,0,1]=4 1035 B13R1.47 CC(c1ccccn1)N(C)CCF 2230a_100000231138_100011217306 [0,0,0,0,1,0|2,0,1]=4 1036 B13R1.47 CC(c1ccccn1)N(C)CCF 269982a_100000231138_100011217306 [0,0,0,0,1,0|2,0,1]=4 1037 B13R1.47 CC(c1ccccn1)N(C)CCO 2230a_100000231138_100000211926 [0,0,0,0,1,0|2,0,1]=4 1038 B13R1.47 CC(c1ccccn1)N(C)CCO 269982a_100000231138_100000211926 [0,0,0,0,1,0|2,0,1]=4 1039 B13R1.47 CC(c1cccnc1)N(C)CC#N 2230a_100000232774_100011215382 [0,0,0,0,1,0|2,0,0]=3 1040 B13R1.47 CC(c1cccnc1)N(C)CC#N 269982a_100000232774_100011214920 [0,0,0,0,1,0|2,0,0]=3 1041 B13R1.47 CC(c1cccnc1)N(C)CC=O 2230a_100000232774_200015260668 [0,0,0,0,1,0|2,0,1]=4 1042 B13R1.47 CC(c1cccnc1)N(C)CC=O 269982a_100000232774_200015260668 [0,0,0,0,1,0|2,0,1]=4 1043 B13R1.47 CC(c1cccnc1)N(C)CCF 2230a_100000232774_100011217306 [0,0,0,0,1,0|2,0,1]=4 1044 B13R1.47 CC(c1cccnc1)N(C)CCF 269982a_100000232774_100011217306 [0,0,0,0,1,0|2,0,1]=4 1045 B13R1.47 CC(c1cccnc1)N(C)CCO 2230a_100000232774_100000211926 [0,0,0,0,1,0|2,0,1]=4 1046 B13R1.47 CC(c1cccnc1)N(C)CCO 269982a_100000232774_100000211926 [0,0,0,0,1,0|2,0,1]=4 1047 B13R1.47 CC(c1ccncc1)N(C)CC#N 2230a_100000231139_100011215382 [0,0,0,0,1,0|2,0,0]=3 1048 B13R1.47 CC(c1ccncc1)N(C)CC#N 269982a_100000231139_100011214920 [0,0,0,0,1,0|2,0,0]=3 1049 B13R1.47 CC(c1ccncc1)N(C)CC=O 2230a_100000231139_200015260668 [0,0,0,0,1,0|2,0,1]=4 1050 B13R1.47 CC(c1ccncc1)N(C)CC=O 269982a_100000231139_200015260668 [0,0,0,0,1,0|2,0,1]=4 1051 B13R1.47 CC(c1ccncc1)N(C)CCF 2230a_100000231139_100011217306 [0,0,0,0,1,0|2,0,1]=4 1052 B13R1.47 CC(c1ccncc1)N(C)CCF 269982a_100000231139_100011217306 [0,0,0,0,1,0|2,0,1]=4 1053 B13R1.47 CC(c1ccncc1)N(C)CCO 2230a_100000231139_100000211926 [0,0,0,0,1,0|2,0,1]=4 1054 B13R1.47 CC(c1ccncc1)N(C)CCO 269982a_100000231139_100000211926 [0,0,0,0,1,0|2,0,1]=4 1055 B13R1.47 CC(c1cnccn1)N(C)CC#N 2230a_100000748184_200000703233 [0,0,0,0,1,0|3,0,0]=4 1056 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,0,0,0,1,0|0,0,2]=3 1057 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,0,0,0,1,0|0,0,2]=3 1058 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,0,0,0,1,0|0,0,2]=3 1059 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,0,0,0,1,0|0,0,2]=3 1060 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,0,0,0,1,0|0,0,2]=3 1061 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,0,0,0,1,0|0,0,2]=3 1062 B13R1.47 CCCN(C)C(C)c1ccccn1 2230a_100000231138_100000210303 [0,0,0,0,1,0|1,0,2]=4 1063 B13R1.47 CCCN(C)C(C)c1ccccn1 269982a_100000231138_100000210303 [0,0,0,0,1,0|1,0,2]=4 1064 B13R1.47 CCCN(C)C(C)c1cccnc1 2230a_100000232774_100000210303 [0,0,0,0,1,0|1,0,2]=4 1065 B13R1.47 CCCN(C)C(C)c1cccnc1 269982a_100000232774_100000210303 [0,0,0,0,1,0|1,0,2]=4 1066 B13R1.47 CCCN(C)C(C)c1ccncc1 2230a_100000231139_100000210303 [0,0,0,0,1,0|1,0,2]=4 1067 B13R1.47 CCCN(C)C(C)c1ccncc1 269982a_100000231139_100000210303 [0,0,0,0,1,0|1,0,2]=4 1068 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,0,0,0,1,0|0,0,2]=3 1069 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,0,0,0,1,0|0,0,2]=3 1070 B13R1.47 CN(CC#N)C(=O)c1ccccc1 11a_100000748184_100000185807 [0,0,0,0,1,0|2,0,1]=4 1071 B13R1.47 CN(CC#N)C(=O)c1ccccc1 1626a_100000748184_100000185807 [0,0,0,0,1,0|2,0,1]=4 1072 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,0,0,0,1,0|1,0,1]=3 1073 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,0,0,0,1,0|1,0,1]=3 1074 B13R1.47 COCN(C)C(C)c1ccccn1 2230a_100000231138_100000766300 [0,0,0,0,1,0|2,0,1]=4 1075 B13R1.47 COCN(C)C(C)c1ccccn1 269982a_100000231138_100000766300 [0,0,0,0,1,0|2,0,1]=4 1076 B13R1.47 COCN(C)C(C)c1cccnc1 2230a_100000232774_100000766300 [0,0,0,0,1,0|2,0,1]=4 1077 B13R1.47 COCN(C)C(C)c1cccnc1 269982a_100000232774_100000766300 [0,0,0,0,1,0|2,0,1]=4 1078 B13R1.47 COCN(C)C(C)c1ccncc1 2230a_100000231139_100000766300 [0,0,0,0,1,0|2,0,1]=4 1079 B13R1.47 COCN(C)C(C)c1ccncc1 269982a_100000231139_100000766300 [0,0,0,0,1,0|2,0,1]=4 1080 B13R1.47 CSCN(C)C(C)c1ccccc1 2230a_100000195388_100011218213 [0,0,0,0,1,0|1,0,1]=3 1081 B13R1.47 CSCN(C)C(C)c1ccccc1 269982a_100000195388_100011218213 [0,0,0,0,1,0|1,0,1]=3 1082 B13R1.47 CSCN(C)C(C)c1ccccn1 2230a_100000231138_100011218213 [0,0,0,0,1,0|2,0,1]=4 1083 B13R1.47 CSCN(C)C(C)c1ccccn1 269982a_100000231138_100011218213 [0,0,0,0,1,0|2,0,1]=4 1084 B13R1.47 CSCN(C)C(C)c1cccnc1 2230a_100000232774_100011218213 [0,0,0,0,1,0|2,0,1]=4 1085 B13R1.47 CSCN(C)C(C)c1cccnc1 269982a_100000232774_100011218213 [0,0,0,0,1,0|2,0,1]=4 1086 B13R1.47 CSCN(C)C(C)c1ccncc1 2230a_100000231139_100011218213 [0,0,0,0,1,0|2,0,1]=4 1087 B13R1.47 CSCN(C)C(C)c1ccncc1 269982a_100000231139_100011218213 [0,0,0,0,1,0|2,0,1]=4 1088 B13R1.47 C[C@H](C(=O)CC#N)c1ccccc1 1458a_100000751047_100011214920 [0,0,0,0,1,0|3,0,0]=4 1089 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [0,0,0,0,1,0|1,0,1]=3 1090 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [0,0,0,0,1,0|1,0,1]=3 1091 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [0,0,0,0,1,0|1,0,1]=3 1092 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [0,0,0,0,1,0|1,0,1]=3 1093 B13R1.66 C#CCN(C)C(=O)Cc1ccc[nH]1 11a_100000225692_100000238377 [0,0,0,0,1,0|2,0,1]=4 1094 B13R1.66 C#CCN(C)C(=O)Cc1ccc[nH]1 527a_100000225692_100000238377 [0,0,0,0,1,0|2,0,1]=4 1095 B13R1.66 C#CCN(C)C(=O)Cc1ccco1 11a_100000225692_100011217309 [0,0,0,0,1,0|2,0,1]=4 1096 B13R1.66 C#CCN(C)C(=O)Cc1ccco1 527a_100000225692_100011217309 [0,0,0,0,1,0|2,0,1]=4 1097 B13R1.66 C#CCN(C)C(=O)Cc1cccs1 11a_100000225692_100000210189 [0,0,0,0,1,0|2,0,1]=4 1098 B13R1.66 C#CCN(C)C(=O)Cc1cccs1 1626a_100000225692_100000210189 [0,0,0,0,1,0|2,0,1]=4 1099 B13R1.66 C#CCN(C)C(=O)Cc1ccoc1 11a_100000225692_100000684892 [0,0,0,0,1,0|2,0,1]=4 1100 B13R1.66 C#CCN(C)C(=O)Cc1ccoc1 1626a_100000225692_100000684892 [0,0,0,0,1,0|2,0,1]=4 1101 B13R1.66 C#CCN(C)C(=O)Cc1ccoc1 527a_100000225692_100000684892 [0,0,0,0,1,0|2,0,1]=4 1102 B13R1.66 C#CCN(C)C(=O)Cc1ccsc1 11a_100000225692_100000184062 [0,0,0,0,1,0|2,0,1]=4 1103 B13R1.66 C#CCN(C)C(=O)Cc1ccsc1 1626a_100000225692_100000184062 [0,0,0,0,1,0|2,0,1]=4 1104 B13R1.66 C#CCN(C)C(=O)Cc1ccsc1 527a_100000225692_100000184062 [0,0,0,0,1,0|2,0,1]=4 1105 B13R1.66 C#CCN(C)C(=O)Cn1cccc1 11a_100000225692_100011196272 [0,0,0,0,1,0|2,0,1]=4 1106 B13R1.66 C#CCN(C)C(=O)Cn1cccc1 1626a_100000225692_100011196272 [0,0,0,0,1,0|2,0,1]=4 1107 B13R1.66 C#CCN(C)C(=O)Cn1cccc1 527a_100000225692_100011196272 [0,0,0,0,1,0|2,0,1]=4 1108 B13R1.66 C#CCN(C)C(C)CC1C=CCC1 270004a_100000225692_100000116859 [0,0,0,0,1,0|0,0,3]=4 1109 B13R1.66 C#CCN(C)C(C)Cc1ccco1 270004a_100000225692_100011216958 [0,0,0,0,1,0|1,0,0]=2 1110 B13R1.66 C#CCN(C)C(C)Cn1cncn1 270004a_100000225692_100011342613 [0,0,0,0,1,0|3,0,0]=4 1111 B13R1.66 C=CCN(C)C(C)Cc1ccco1 270004a_100000225617_100011216958 [0,0,0,0,1,0|1,0,2]=4 1112 B13R1.66 CC(Cc1ccco1)N(C)CCO 270004a_100000210263_100011216958 [0,0,0,0,1,0|2,0,1]=4 1113 B13R1.66 CCCN(C)C(C)Cc1ccco1 270004a_100000747261_100011216958 [0,0,0,0,1,0|1,0,2]=4 1114 B15R1.809 C#CCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000184674 [0,0,0,0,0,1|3,0,0]=4 1115 B15R1.809 C#CCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100011220946 [0,0,0,0,0,1|3,0,0]=4 1116 B15R1.809 C#CCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100011220946 [0,0,0,0,0,1|3,0,0]=4 1117 B15R1.809 C#CCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100011220946 [0,0,0,0,0,1|3,0,0]=4 1118 B15R1.809 C#CCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100011220946 [0,0,0,0,0,1|3,0,0]=4 1119 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 34a_100000685586_200011218536 [0,0,0,0,0,1|1,0,0]=2 1120 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 7a_100000685586_200011218536 [0,0,0,0,0,1|1,0,0]=2 1121 B15R1.809 C#CCN(C)CC(=O)Cc1ccccc1 2230a_100000225692_100000233483 [0,0,0,0,0,1|1,0,1]=3 1122 B15R1.809 C#CCN(C)CC(=O)Nc1ccccc1 2230a_100000225692_100000182850 [0,0,0,0,0,1|2,0,1]=4 1123 B15R1.809 C#CCN(C)CC(=O)Nc1ccccc1 34a_100000225692_100000182850 [0,0,0,0,0,1|2,0,1]=4 1124 B15R1.809 C#CCN(C)CC(=O)Oc1ccccc1 2230a_100000225692_100009813826 [0,0,0,0,0,1|2,0,1]=4 1125 B15R1.809 C#CCN(C)CC(=O)Oc1ccccc1 34a_100000225692_100009813826 [0,0,0,0,0,1|2,0,1]=4 1126 B15R1.809 C#CCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000225692_100000729385 [0,0,0,0,0,1|1,0,0]=2 1127 B15R1.809 C#CCN(C)C[C@@H](O)Cc1ccccc1 34a_100000225692_100000729385 [0,0,0,0,0,1|1,0,0]=2 1128 B15R1.809 C=CCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000225617_100000729385 [0,0,0,0,0,1|1,0,2]=4 1129 B15R1.809 C=CCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000225617_100000729385 [0,0,0,0,0,1|1,0,2]=4 1130 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 34a_100000731007_200011218536 [0,0,0,0,0,1|1,0,2]=4 1131 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 7a_100000731007_200011218536 [0,0,0,0,0,1|1,0,2]=4 1132 B15R1.809 CC#CC(C)OC(C)Cc1ccccc1 34a_100011216543_200011218536 [0,0,0,0,0,1|1,0,2]=4 1133 B15R1.809 CC(CC#N)NC(C)Cc1ccccn1 2230a_100000238496_100009813641 [0,0,0,0,0,1|3,0,0]=4 1134 B15R1.809 CC(CC#N)NC(C)Cc1cccnc1 2230a_100011207255_100009813641 [0,0,0,0,0,1|3,0,0]=4 1135 B15R1.809 CC(CC#N)OC(C)Cc1ccccc1 7a_100000748627_100009813641 [0,0,0,0,0,1|2,0,0]=3 1136 B15R1.809 CC(CC#N)SC(C)Cc1ccccc1 62a_100009813641_200011218536 [0,0,0,0,0,1|2,0,0]=3 1137 B15R1.809 CC(CC#N)SC(C)Cc1ccccc1 62a_200011218536_100009813641 [0,0,0,0,0,1|2,0,0]=3 1138 B15R1.809 CC(CCBr)OC(C)Cc1ccccc1 34a_100012276601_200011218536 [0,0,0,0,0,1|2,0,1]=4 1139 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 34a_100000748627_100009893172 [0,0,0,0,0,1|2,0,1]=4 1140 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 7a_100000748627_100009893172 [0,0,0,0,0,1|2,0,1]=4 1141 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_100009893172_200011218536 [0,0,0,0,0,1|2,0,1]=4 1142 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_200011218536_100009893172 [0,0,0,0,0,1|2,0,1]=4 1143 B15R1.809 CC(Cc1ccccc1)N[C@H](C)CCO 34a_100000706166_200011218536 [0,0,0,0,0,1|2,0,1]=4 1144 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000766640 [0,0,0,0,0,1|1,0,2]=4 1145 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000764384_200011218536 [0,0,0,0,0,1|1,0,2]=4 1146 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000766640 [0,0,0,0,0,1|1,0,2]=4 1147 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000764384_200011218536 [0,0,0,0,0,1|1,0,2]=4 1148 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_100000766640_200011218536 [0,0,0,0,0,1|1,0,2]=4 1149 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000766640 [0,0,0,0,0,1|1,0,2]=4 1150 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000747261_100000729385 [0,0,0,0,0,1|1,0,2]=4 1151 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000747261_100000729385 [0,0,0,0,0,1|1,0,2]=4 1152 B15R1.809 CN(CC#N)CC(=O)Cc1ccccc1 2230a_100000748184_100000233483 [0,0,0,0,0,1|2,0,1]=4 1153 B15R1.809 CN(CC#N)C[C@@H](O)Cc1ccccc1 2230a_100000748184_100000729385 [0,0,0,0,0,1|2,0,0]=3 1154 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 2230a_100000210263_100000729385 [0,0,0,0,0,1|2,0,1]=4 1155 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 269982a_100000210263_100000729385 [0,0,0,0,0,1|2,0,1]=4 1156 B15R1.809 COCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000765312 [0,0,0,0,0,1|2,0,1]=4 1157 B15R1.809 COCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000765312 [0,0,0,0,0,1|2,0,1]=4 1158 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_100000765312_200011218536 [0,0,0,0,0,1|2,0,1]=4 1159 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000765312 [0,0,0,0,0,1|2,0,1]=4 1160 B15R1.809 COC[C@@H](C)OC(C)Cc1ccccc1 34a_100011934205_200011218536 [0,0,0,0,0,1|2,0,1]=4 1161 B15R1.826 C#CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000184674 [0,0,0,0,0,1|2,0,0]=3 1162 B15R1.826 C#CCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000184674 [0,0,0,0,0,1|2,0,0]=3 1163 B15R1.826 C#CCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000184674 [0,0,0,0,0,1|3,0,0]=4 1164 B15R1.826 C#CCC(=O)N(C)CCc1ccccc1 1626a_100000207497_100011220946 [0,0,0,0,0,1|3,0,0]=4 1165 B15R1.826 C#CCC(=O)N(C)CCc1ccccc1 527a_100000207497_100011220946 [0,0,0,0,0,1|3,0,0]=4 1166 B15R1.826 C#CCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000184674 [0,0,0,0,0,1|2,0,0]=3 1167 B15R1.826 C#CCN(C)C(=O)C=Cc1ccccc1 11a_100000225692_100000210462 [0,0,0,0,0,1|1,0,2]=4 1168 B15R1.826 C#CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225692_100000210462 [0,0,0,0,0,1|1,0,2]=4 1169 B15R1.826 C#CCN(C)C(=O)CCc1ccccc1 11a_100000225692_100000185753 [0,0,0,0,0,1|1,0,1]=3 1170 B15R1.826 C#CCN(C)C(=O)CCc1ccccc1 1626a_100000225692_100000185753 [0,0,0,0,0,1|1,0,1]=3 1171 B15R1.826 C#CCN(C)C(=O)CCc1ccccc1 527a_100000225692_100000185753 [0,0,0,0,0,1|1,0,1]=3 1172 B15R1.826 C#CCN(C)C(=O)CCc1ccccn1 11a_100000225692_100015195070 [0,0,0,0,0,1|2,0,1]=4 1173 B15R1.826 C#CCN(C)C(=O)CCc1ccccn1 527a_100000225692_100015195070 [0,0,0,0,0,1|2,0,1]=4 1174 B15R1.826 C#CCN(C)C(=O)CCc1cccnc1 11a_100000225692_100000198484 [0,0,0,0,0,1|2,0,1]=4 1175 B15R1.826 C#CCN(C)C(=O)CCc1cccnc1 1626a_100000225692_100000198484 [0,0,0,0,0,1|2,0,1]=4 1176 B15R1.826 C#CCN(C)C(=O)CCc1cccnc1 527a_100000225692_100000198484 [0,0,0,0,0,1|2,0,1]=4 1177 B15R1.826 C#CCN(C)C(=O)CCc1ccncc1 11a_100000225692_100011225043 [0,0,0,0,0,1|2,0,1]=4 1178 B15R1.826 C#CCN(C)C(=O)CCc1ccncc1 527a_100000225692_100011225043 [0,0,0,0,0,1|2,0,1]=4 1179 B15R1.826 C#CCN(C)C(=O)COc1ccccc1 11a_100000225692_100000186222 [0,0,0,0,0,1|1,0,1]=3 1180 B15R1.826 C#CCN(C)C(=O)COc1ccccc1 1626a_100000225692_100000186222 [0,0,0,0,0,1|1,0,1]=3 1181 B15R1.826 C#CCN(C)C(=O)COc1ccccc1 527a_100000225692_100000186222 [0,0,0,0,0,1|1,0,1]=3 1182 B15R1.826 C#CCN(C)C(=O)COc1ccccn1 1626a_100000225692_100102699861 [0,0,0,0,0,1|2,0,1]=4 1183 B15R1.826 C#CCN(C)C(=O)COc1ccccn1 527a_100000225692_100102699861 [0,0,0,0,0,1|2,0,1]=4 1184 B15R1.826 C#CCN(C)C(=O)COc1cccnc1 11a_100000225692_100015207166 [0,0,0,0,0,1|2,0,1]=4 1185 B15R1.826 C#CCN(C)C(=O)COc1cccnc1 1626a_100000225692_100015207166 [0,0,0,0,0,1|2,0,1]=4 1186 B15R1.826 C#CCN(C)C(=O)COc1cccnc1 527a_100000225692_100015207166 [0,0,0,0,0,1|2,0,1]=4 1187 B15R1.826 C#CCN(C)C(=O)CSc1ccccc1 11a_100000225692_100000211596 [0,0,0,0,0,1|1,0,1]=3 1188 B15R1.826 C#CCN(C)C(=O)CSc1ccccc1 1626a_100000225692_100000211596 [0,0,0,0,0,1|1,0,1]=3 1189 B15R1.826 C#CCN(C)C(=O)CSc1ccccc1 527a_100000225692_100000211596 [0,0,0,0,0,1|1,0,1]=3 1190 B15R1.826 C#CCN(C)C(=O)CSc1ccccn1 11a_100000225692_100000156281 [0,0,0,0,0,1|2,0,1]=4 1191 B15R1.826 C#CCN(C)C(=O)CSc1ccccn1 527a_100000225692_100000156281 [0,0,0,0,0,1|2,0,1]=4 1192 B15R1.826 C#CCN(C)C(=O)CSc1ccncc1 11a_100000225692_100000211328 [0,0,0,0,0,1|2,0,1]=4 1193 B15R1.826 C#CCN(C)C(=O)CSc1ccncc1 1626a_100000225692_100000211328 [0,0,0,0,0,1|2,0,1]=4 1194 B15R1.826 C#CCN(C)C(=O)CSc1ccncc1 527a_100000225692_100000211328 [0,0,0,0,0,1|2,0,1]=4 1195 B15R1.826 C#CCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000225692 [0,0,0,0,0,1|1,0,1]=3 1196 B15R1.826 C#CCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000225692 [0,0,0,0,0,1|1,0,1]=3 1197 B15R1.826 C#CCN(C)C(=O)NCc1ccccn1 2708a_100000210449_100000225692 [0,0,0,0,0,1|2,0,1]=4 1198 B15R1.826 C#CCN(C)C(=O)NCc1ccccn1 273464a_100000210449_100000225692 [0,0,0,0,0,1|2,0,1]=4 1199 B15R1.826 C#CCN(C)C(=O)NCc1cccnc1 2708a_100000210453_100000225692 [0,0,0,0,0,1|2,0,1]=4 1200 B15R1.826 C#CCN(C)C(=O)NCc1cccnc1 273464a_100000210453_100000225692 [0,0,0,0,0,1|2,0,1]=4 1201 B15R1.826 C#CCN(C)C(=O)NCc1ccncc1 2708a_100000210450_100000225692 [0,0,0,0,0,1|2,0,1]=4 1202 B15R1.826 C#CCN(C)C(=O)NCc1ccncc1 273464a_100000210450_100000225692 [0,0,0,0,0,1|2,0,1]=4 1203 B15R1.826 C#CCN(C)C(C)CCc1ccccc1 270004a_100000225692_100000210092 [0,0,0,0,0,1|0,0,0]=1 1204 B15R1.826 C#CCN(C)C(C)COc1ccccc1 270004a_100000225692_100000150576 [0,0,0,0,0,1|0,0,0]=1 1205 B15R1.826 C#CCN(C)C(C)CSc1ccccc1 270004a_100000225692_100000150717 [0,0,0,0,0,1|0,0,0]=1 1206 B15R1.826 C=CCN(C)C(C)CCc1ccccc1 270004a_100000225617_100000210092 [0,0,0,0,0,1|0,0,2]=3 1207 B15R1.826 C=CCN(C)C(C)COc1ccccc1 270004a_100000225617_100000150576 [0,0,0,0,0,1|0,0,2]=3 1208 B15R1.826 C=CCN(C)C(C)CSc1ccccc1 270004a_100000225617_100000150717 [0,0,0,0,0,1|0,0,2]=3 1209 B15R1.826 CC(CC#N)N(C)CCc1ccccc1 2230a_100000207497_100009813641 [0,0,0,0,0,1|3,0,0]=4 1210 B15R1.826 CC(CC#N)N(C)CCc1ccccc1 269982a_100000207497_100009813641 [0,0,0,0,0,1|3,0,0]=4 1211 B15R1.826 CC(CCc1ccccc1)C(=O)CC#N 1458a_100011435293_100011214920 [0,0,0,0,0,1|3,0,0]=4 1212 B15R1.826 CC(CCc1ccccc1)N(C)CCO 270004a_100000210263_100000210092 [0,0,0,0,0,1|1,0,1]=3 1213 B15R1.826 CC(COc1ccccc1)N(C)CCO 2230a_200009868044_200000210301 [0,0,0,0,0,1|1,0,1]=3 1214 B15R1.826 CC(COc1ccccc1)N(C)CCO 269982a_200009868044_200000210301 [0,0,0,0,0,1|1,0,1]=3 1215 B15R1.826 CC(COc1ccccc1)N(C)CCO 270004a_100000210263_100000150576 [0,0,0,0,0,1|1,0,1]=3 1216 B15R1.826 CC(COc1ccccc1)N(C)CCO 34a_200009868044_200000210301 [0,0,0,0,0,1|1,0,1]=3 1217 B15R1.826 CC(COc1ccccc1)N([13CH3])CCO 2230a_200009868044_200025704644 [0,0,0,0,0,1|1,0,1]=3 1218 B15R1.826 CC(COc1ccccc1)N([13CH3])CCO 269982a_200009868044_200025704644 [0,0,0,0,0,1|1,0,1]=3 1219 B15R1.826 CC(COc1ccccc1)N([13CH3])CCO 34a_200009868044_200025704644 [0,0,0,0,0,1|1,0,1]=3 1220 B15R1.826 CC(CSc1ccccc1)N(C)CCO 270004a_100000210263_100000150717 [0,0,0,0,0,1|1,0,1]=3 1221 B15R1.826 CC(SCc1ccccc1)C(=O)CC#N 1458a_100000149570_100011214920 [0,0,0,0,0,1|3,0,0]=4 1222 B15R1.826 CCCC(C)C(C)NCc1ccccc1 270004a_100015324214_100011216282 [0,0,0,0,0,1|1,0,2]=4 1223 B15R1.826 CCCC(C)C(C)OCc1ccccc1 34a_100000708338_100015291786 [0,0,0,0,0,1|1,0,2]=4 1224 B15R1.826 CCCC(C)C(C)OCc1ccccc1 7a_100000708338_100000211182 [0,0,0,0,0,1|1,0,2]=4 1225 B15R1.826 CCCN(C)C(C)CCc1ccccc1 270004a_100000747261_100000210092 [0,0,0,0,0,1|0,0,2]=3 1226 B15R1.826 CCCN(C)C(C)COc1ccccc1 270004a_100000747261_100000150576 [0,0,0,0,0,1|0,0,2]=3 1227 B15R1.826 CCCN(C)C(C)CSc1ccccc1 270004a_100000747261_100000150717 [0,0,0,0,0,1|0,0,2]=3 1228 B15R1.826 CN(CC#N)C(=O)CCc1ccccc1 11a_100000748184_100000185753 [0,0,0,0,0,1|2,0,1]=4 1229 B15R1.826 CN(CC#N)C(=O)CCc1ccccc1 1626a_100000748184_100000185753 [0,0,0,0,0,1|2,0,1]=4 1230 B15R1.826 CN(CC#N)C(=O)COc1ccccc1 11a_100000748184_100000186222 [0,0,0,0,0,1|2,0,1]=4 1231 B15R1.826 CN(CC#N)C(=O)COc1ccccc1 1626a_100000748184_100000186222 [0,0,0,0,0,1|2,0,1]=4 1232 B15R1.826 CN(CC#N)C(=O)CSc1ccccc1 11a_100000748184_100000211596 [0,0,0,0,0,1|2,0,1]=4 1233 B15R1.826 CN(CC#N)C(=O)CSc1ccccc1 1626a_100000748184_100000211596 [0,0,0,0,0,1|2,0,1]=4 1234 B15R1.826 CN(CC#N)C(=O)NCc1ccccc1 273464a_100015324214_100000748184 [0,0,0,0,0,1|2,0,1]=4 1235 B15R1.826 C[C@H](OCc1ccccc1)C(=O)CC#N 1458a_100000703211_100011214920 [0,0,0,0,0,1|3,0,0]=4 1236 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [2,0,0,0,0,0|2,0,0]=4 1237 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [2,0,0,0,0,0|2,0,0]=4 1238 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [2,0,0,0,0,0|2,0,0]=4 1239 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [2,0,0,0,0,0|2,0,0]=4 1240 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [2,0,0,0,0,0|2,0,0]=4 1241 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [2,0,0,0,0,0|2,0,0]=4 1242 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [2,0,0,0,0,0|2,0,0]=4 1243 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [2,0,0,0,0,0|2,0,0]=4 1244 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [2,0,0,0,0,0|2,0,0]=4 1245 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [2,0,0,0,0,0|2,0,0]=4 1246 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [2,0,0,0,0,0|2,0,0]=4 1247 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [2,0,0,0,0,0|2,0,0]=4 1248 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [2,0,0,0,0,0|2,0,0]=4 1249 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [2,0,0,0,0,0|0,0,0]=2 1250 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [2,0,0,0,0,0|0,0,0]=2 1251 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [2,0,0,0,0,0|0,0,0]=2 1252 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [2,0,0,0,0,0|1,0,0]=3 1253 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [2,0,0,0,0,0|1,0,0]=3 1254 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [2,0,0,0,0,0|1,0,0]=3 1255 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [2,0,0,0,0,0|1,0,0]=3 1256 B12R1.8 C#CCOCCc1ccccn1 34a_100000210271_100000184674 [2,0,0,0,0,0|2,0,0]=4 1257 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [2,0,0,0,0,0|2,0,0]=4 1258 B12R1.8 C#CCOCCc1ccncc1 34a_100011216225_100000184674 [2,0,0,0,0,0|2,0,0]=4 1259 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [2,0,0,0,0,0|1,0,0]=3 1260 B12R1.8 C#CCSCCc1ccccn1 62a_100000038162_100015183660 [2,0,0,0,0,0|2,0,0]=4 1261 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [2,0,0,0,0,0|2,0,0]=4 1262 B12R1.8 C#CCSCCc1ccncc1 62a_100000038162_100000723409 [2,0,0,0,0,0|2,0,0]=4 1263 B12R1.8 C#CCSCSc1ccccc1 62a_100000038162_100011218342 [2,0,0,0,0,0|2,0,0]=4 1264 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [2,0,0,0,0,0|0,0,2]=4 1265 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [2,0,0,0,0,0|0,0,2]=4 1266 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [2,0,0,0,0,0|0,0,2]=4 1267 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [2,0,0,0,0,0|0,0,2]=4 1268 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [2,0,0,0,0,0|0,0,2]=4 1269 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [2,0,0,0,0,0|1,0,1]=4 1270 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [2,0,0,0,0,0|1,0,1]=4 1271 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [2,0,0,0,0,0|1,0,1]=4 1272 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [2,0,0,0,0,0|1,0,1]=4 1273 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [2,0,0,0,0,0|1,0,1]=4 1274 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [2,0,0,0,0,0|1,0,1]=4 1275 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [2,0,0,0,0,0|1,0,0]=3 1276 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [2,0,0,0,0,0|2,0,0]=4 1277 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [2,0,0,0,0,0|2,0,0]=4 1278 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [2,0,0,0,0,0|2,0,0]=4 1279 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [2,0,0,0,0,0|2,0,0]=4 1280 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [2,0,0,0,0,0|1,0,1]=4 1281 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [2,0,0,0,0,0|1,0,1]=4 1282 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [2,0,0,0,0,0|1,0,1]=4 1283 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [2,0,0,0,0,0|1,0,1]=4 1284 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [2,0,0,0,0,0|1,0,1]=4 1285 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [2,0,0,0,0,0|1,0,1]=4 1286 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [2,0,0,0,0,0|2,0,0]=4 1287 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [2,0,0,0,0,0|2,0,0]=4 1288 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [2,0,0,0,0,0|2,0,0]=4 1289 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [2,0,0,0,0,0|2,0,0]=4 1290 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [2,0,0,0,0,0|2,0,0]=4 1291 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [2,0,0,0,0,0|2,0,0]=4 1292 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [2,0,0,0,0,0|2,0,0]=4 1293 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [2,0,0,0,0,0|2,0,0]=4 1294 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [2,0,0,0,0,0|2,0,0]=4 1295 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [2,0,0,0,0,0|0,0,1]=3 1296 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [2,0,0,0,0,0|0,0,1]=3 1297 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [2,0,0,0,0,0|0,0,1]=3 1298 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [2,0,0,0,0,0|0,0,1]=3 1299 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [2,0,0,0,0,0|0,0,1]=3 1300 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [2,0,0,0,0,0|0,0,1]=3 1301 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [2,0,0,0,0,0|1,0,1]=4 1302 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [2,0,0,0,0,0|1,0,1]=4 1303 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1304 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [2,0,0,0,0,0|1,0,1]=4 1305 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [2,0,0,0,0,0|1,0,1]=4 1306 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [2,0,0,0,0,0|1,0,1]=4 1307 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [2,0,0,0,0,0|1,0,1]=4 1308 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [2,0,0,0,0,0|1,0,1]=4 1309 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [2,0,0,0,0,0|1,0,1]=4 1310 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [2,0,0,0,0,0|1,0,1]=4 1311 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [2,0,0,0,0,0|1,0,1]=4 1312 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [2,0,0,0,0,0|1,0,1]=4 1313 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [2,0,0,0,0,0|1,0,1]=4 1314 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [2,0,0,0,0,0|1,0,1]=4 1315 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [2,0,0,0,0,0|1,0,1]=4 1316 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [2,0,0,0,0,0|1,0,1]=4 1317 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [2,0,0,0,0,0|0,0,1]=3 1318 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [2,0,0,0,0,0|0,0,1]=3 1319 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [2,0,0,0,0,0|1,0,1]=4 1320 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [2,0,0,0,0,0|1,0,1]=4 1321 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [2,0,0,0,0,0|1,0,0]=3 1322 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1323 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [2,0,0,0,0,0|2,0,0]=4 1324 B12R1.27 CN(CF)CCc1ccncc1 269982a_100000742850_100015361967 [2,0,0,0,0,0|2,0,0]=4 1325 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [2,0,0,0,0,0|1,0,1]=4 1326 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [2,0,0,0,0,0|1,0,0]=3 1327 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [2,0,0,0,0,0|1,0,0]=3 1328 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [2,0,0,0,0,0|1,0,0]=3 1329 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [2,0,0,0,0,0|1,0,0]=3 1330 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [2,0,0,0,0,0|1,0,0]=3 1331 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [2,0,0,0,0,0|1,0,0]=3 1332 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [2,0,0,0,0,0|1,0,0]=3 1333 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000207498_100000038162 [2,0,0,0,0,0|2,0,0]=4 1334 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000225692_100000721315 [2,0,0,0,0,0|2,0,0]=4 1335 B12R1.32 C#CCN(C)Cc1ccccn1 270004a_100000225692_100000209966 [2,0,0,0,0,0|2,0,0]=4 1336 B12R1.32 C#CCN(C)Cc1ccccn1 34a_100000225692_100000721315 [2,0,0,0,0,0|2,0,0]=4 1337 B12R1.32 C#CCN(C)Cc1cccnc1 2230a_100000184577_100000038162 [2,0,0,0,0,0|2,0,0]=4 1338 B12R1.32 C#CCN(C)Cc1cccnc1 2230a_100000225692_100000741622 [2,0,0,0,0,0|2,0,0]=4 1339 B12R1.32 C#CCN(C)Cc1cccnc1 270004a_100000225692_100000209961 [2,0,0,0,0,0|2,0,0]=4 1340 B12R1.32 C#CCN(C)Cc1cccnc1 34a_100000225692_100000733263 [2,0,0,0,0,0|2,0,0]=4 1341 B12R1.32 C#CCN(C)Cc1ccncc1 2230a_100000187231_100000038162 [2,0,0,0,0,0|2,0,0]=4 1342 B12R1.32 C#CCN(C)Cc1ccncc1 2230a_100000225692_100015193705 [2,0,0,0,0,0|2,0,0]=4 1343 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [2,0,0,0,0,0|1,0,0]=3 1344 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [2,0,0,0,0,0|1,0,0]=3 1345 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [2,0,0,0,0,0|1,0,0]=3 1346 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [2,0,0,0,0,0|2,0,0]=4 1347 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [2,0,0,0,0,0|2,0,0]=4 1348 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [2,0,0,0,0,0|2,0,0]=4 1349 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [2,0,0,0,0,0|1,0,1]=4 1350 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [2,0,0,0,0,0|1,0,1]=4 1351 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [2,0,0,0,0,0|2,0,0]=4 1352 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [2,0,0,0,0,0|2,0,0]=4 1353 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [2,0,0,0,0,0|2,0,0]=4 1354 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [2,0,0,0,0,0|2,0,0]=4 1355 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [2,0,0,0,0,0|1,0,1]=4 1356 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [2,0,0,0,0,0|1,0,1]=4 1357 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [2,0,0,0,0,0|1,0,1]=4 1358 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [2,0,0,0,0,0|1,0,1]=4 1359 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [2,0,0,0,0,0|1,0,1]=4 1360 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [2,0,0,0,0,0|1,0,1]=4 1361 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [2,0,0,0,0,0|1,0,1]=4 1362 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [2,0,0,0,0,0|1,0,1]=4 1363 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [2,0,0,0,0,0|1,0,1]=4 1364 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [2,0,0,0,0,0|1,0,1]=4 1365 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [2,0,0,0,0,0|2,0,0]=4 1366 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1367 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [2,0,0,0,0,0|2,0,0]=4 1368 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [2,0,0,0,0,0|2,0,0]=4 1369 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [2,0,0,0,0,0|1,0,1]=4 1370 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [2,0,0,0,0,0|1,0,1]=4 1371 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1372 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [2,0,0,0,0,0|2,0,0]=4 1373 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [2,0,0,0,0,0|2,0,0]=4 1374 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [2,0,0,0,0,0|2,0,0]=4 1375 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [2,0,0,0,0,0|2,0,0]=4 1376 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [2,0,0,0,0,0|2,0,0]=4 1377 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [2,0,0,0,0,0|2,0,0]=4 1378 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [2,0,0,0,0,0|2,0,0]=4 1379 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [2,0,0,0,0,0|2,0,0]=4 1380 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [2,0,0,0,0,0|2,0,0]=4 1381 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [2,0,0,0,0,0|2,0,0]=4 1382 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [2,0,0,0,0,0|1,0,0]=3 1383 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [2,0,0,0,0,0|2,0,0]=4 1384 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [2,0,0,0,0,0|0,0,0]=2 1385 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [2,0,0,0,0,0|1,0,0]=3 1386 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [2,0,0,0,0,0|1,0,0]=3 1387 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [2,0,0,0,0,0|1,0,0]=3 1388 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [2,0,0,0,0,0|1,0,0]=3 1389 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [2,0,0,0,0,0|1,0,0]=3 1390 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [2,0,0,0,0,0|1,0,0]=3 1391 B12R1.43 CC(Cc1cnccn1)N(C)C 270004a_100102631434_100015184882 [2,0,0,0,0,0|2,0,0]=4 1392 B14R1.29 C#CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000184674 [1,1,0,0,0,0|2,0,0]=4 1393 B14R1.29 C#CCC(=O)CC(C)c1ccccc1 1458a_100011220946_100000756946 [1,1,0,0,0,0|2,0,0]=4 1394 B14R1.29 C#CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000184674 [1,1,0,0,0,0|2,0,0]=4 1395 B14R1.29 C#CCC(=O)CC(O)c1ccccc1 1458a_100011220946_100000185958 [1,1,0,0,0,0|2,0,0]=4 1396 B14R1.29 C#CCC(=O)C[C@@H](O)c1ccccc1 1458a_100011220946_100011933945 [1,1,0,0,0,0|2,0,0]=4 1397 B14R1.29 C#CCC(C)OC(C)c1ccccc1 34a_100000685586_100000211855 [1,1,0,0,0,0|2,0,0]=4 1398 B14R1.29 C#CCC(C)OC(C)c1ccccc1 7a_100000685586_100000230085 [1,1,0,0,0,0|2,0,0]=4 1399 B14R1.29 C#CCN(C)CC(=O)c1ccccn1 34a_100000225692_100000027445 [1,1,0,0,0,0|1,0,1]=4 1400 B14R1.29 C#CCN(C)CC(C)c1ccccc1 2230a_100000225692_100000756946 [1,1,0,0,0,0|0,0,0]=2 1401 B14R1.29 C#CCN(C)CC(C)c1ccccc1 270004a_100000225692_100000212034 [1,1,0,0,0,0|0,0,0]=2 1402 B14R1.29 C#CCN(C)CC(C)c1ccccc1 34a_100000225692_100000756946 [1,1,0,0,0,0|0,0,0]=2 1403 B14R1.29 C#CCN(C)CC(O)c1ccccc1 2230a_100000225692_100000185958 [1,1,0,0,0,0|0,0,0]=2 1404 B14R1.29 C#CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000038162 [1,1,0,0,0,0|0,0,0]=2 1405 B14R1.29 C#CCN(C)CC(O)c1ccccc1 34a_100000225692_100000185958 [1,1,0,0,0,0|0,0,0]=2 1406 B14R1.29 C#CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225692_100011933945 [1,1,0,0,0,0|0,0,0]=2 1407 B14R1.29 C#CCN(C)C[C@@H](O)c1ccccc1 34a_100000225692_100011933945 [1,1,0,0,0,0|0,0,0]=2 1408 B14R1.29 C=CCN(C)CC(C)c1ccccc1 2230a_100000225617_100000756946 [1,1,0,0,0,0|0,0,2]=4 1409 B14R1.29 C=CCN(C)CC(C)c1ccccc1 269982a_100000225617_100000756946 [1,1,0,0,0,0|0,0,2]=4 1410 B14R1.29 C=CCN(C)CC(C)c1ccccc1 270004a_100000225617_100000212034 [1,1,0,0,0,0|0,0,2]=4 1411 B14R1.29 C=CCN(C)CC(O)c1ccccc1 2230a_100000225617_100000185958 [1,1,0,0,0,0|0,0,2]=4 1412 B14R1.29 C=CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210623 [1,1,0,0,0,0|0,0,2]=4 1413 B14R1.29 C=CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210623 [1,1,0,0,0,0|0,0,2]=4 1414 B14R1.29 C=CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225617_100011933945 [1,1,0,0,0,0|0,0,2]=4 1415 B14R1.29 CC(CN(C)CC#N)c1ccccc1 2230a_100000748184_100000756946 [1,1,0,0,0,0|1,0,0]=3 1416 B14R1.29 CC(CN(C)CCO)c1ccccc1 2230a_100000210263_100000756946 [1,1,0,0,0,0|1,0,1]=4 1417 B14R1.29 CC(CN(C)CCO)c1ccccc1 269982a_100000210263_100000756946 [1,1,0,0,0,0|1,0,1]=4 1418 B14R1.29 CC(CN(C)CCO)c1ccccc1 270004a_100000210263_100000212034 [1,1,0,0,0,0|1,0,1]=4 1419 B14R1.29 CCCN(C)CC(C)c1ccccc1 2230a_100000747261_100000756946 [1,1,0,0,0,0|0,0,2]=4 1420 B14R1.29 CCCN(C)CC(C)c1ccccc1 269982a_100000747261_100000756946 [1,1,0,0,0,0|0,0,2]=4 1421 B14R1.29 CCCN(C)CC(C)c1ccccc1 270004a_100000747261_100000212034 [1,1,0,0,0,0|0,0,2]=4 1422 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210303 [1,1,0,0,0,0|0,0,2]=4 1423 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000747261_100000185958 [1,1,0,0,0,0|0,0,2]=4 1424 B14R1.29 CCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210303 [1,1,0,0,0,0|0,0,2]=4 1425 B14R1.29 CCCN(C)C[C@@H](O)c1ccccc1 2230a_100000747261_100011933945 [1,1,0,0,0,0|0,0,2]=4 1426 B14R1.29 CN(CC#N)CC(O)c1ccccc1 2230a_100000227976_100011215382 [1,1,0,0,0,0|1,0,0]=3 1427 B14R1.29 CN(CC#N)CC(O)c1ccccc1 2230a_100000748184_100000185958 [1,1,0,0,0,0|1,0,0]=3 1428 B14R1.29 CN(CC#N)CC(O)c1ccccc1 269982a_100000227976_100011214920 [1,1,0,0,0,0|1,0,0]=3 1429 B14R1.29 CN(CC#N)C[C@@H](O)c1ccccc1 2230a_100000748184_100011933945 [1,1,0,0,0,0|1,0,0]=3 1430 B14R1.29 CN(CC=O)CC(O)c1ccccc1 2230a_100000227976_200015260668 [1,1,0,0,0,0|1,0,1]=4 1431 B14R1.29 CN(CC=O)CC(O)c1ccccc1 269982a_100000227976_200015260668 [1,1,0,0,0,0|1,0,1]=4 1432 B14R1.29 CN(CCF)CC(O)c1ccccc1 2230a_100000227976_100011217306 [1,1,0,0,0,0|1,0,1]=4 1433 B14R1.29 CN(CCF)CC(O)c1ccccc1 269982a_100000227976_100011217306 [1,1,0,0,0,0|1,0,1]=4 1434 B14R1.29 CN(CCO)CC(O)c1ccccc1 2230a_100000210263_100000185958 [1,1,0,0,0,0|1,0,1]=4 1435 B14R1.29 CN(CCO)CC(O)c1ccccc1 2230a_100000227976_100000211926 [1,1,0,0,0,0|1,0,1]=4 1436 B14R1.29 CN(CCO)CC(O)c1ccccc1 269982a_100000227976_100000211926 [1,1,0,0,0,0|1,0,1]=4 1437 B14R1.29 CN(CCO)C[C@@H](O)c1ccccc1 2230a_100000210263_100011933945 [1,1,0,0,0,0|1,0,1]=4 1438 B14R1.29 COCN(C)CC(O)c1ccccc1 2230a_100000227976_100000766300 [1,1,0,0,0,0|1,0,1]=4 1439 B14R1.29 COCN(C)CC(O)c1ccccc1 269982a_100000227976_100000766300 [1,1,0,0,0,0|1,0,1]=4 1440 B14R1.29 CSCN(C)CC(O)c1ccccc1 2230a_100000227976_100011218213 [1,1,0,0,0,0|1,0,1]=4 1441 B14R1.29 CSCN(C)CC(O)c1ccccc1 269982a_100000227976_100011218213 [1,1,0,0,0,0|1,0,1]=4 1442 B14R1.32 C#CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000184674 [1,1,0,0,0,0|2,0,0]=4 1443 B14R1.32 C#CCC(=O)CCc1cccc(c1)Br 1458a_100011220946_100011740638 [1,1,0,0,0,0|2,0,0]=4 1444 B14R1.32 C#CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000184674 [1,1,0,0,0,0|2,0,0]=4 1445 B14R1.32 C#CCC(=O)CCc1cccc(c1)C 1458a_100011220946_100011713685 [1,1,0,0,0,0|2,0,0]=4 1446 B14R1.32 C#CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000184674 [1,1,0,0,0,0|2,0,0]=4 1447 B14R1.32 C#CCC(=O)CCc1cccc(c1)Cl 1458a_100011220946_100011713710 [1,1,0,0,0,0|2,0,0]=4 1448 B14R1.32 C#CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000184674 [1,1,0,0,0,0|2,0,0]=4 1449 B14R1.32 C#CCC(=O)CCc1cccc(c1)F 1458a_100011220946_100011217235 [1,1,0,0,0,0|2,0,0]=4 1450 B14R1.32 C#CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000184674 [1,1,0,0,0,0|2,0,0]=4 1451 B14R1.32 C#CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000184674 [1,1,0,0,0,0|2,0,0]=4 1452 B14R1.32 C#CCC(C)OCc1cccc(c1)Br 34a_100000685586_100000698116 [1,1,0,0,0,0|2,0,0]=4 1453 B14R1.32 C#CCC(C)OCc1cccc(c1)Br 7a_100000685586_100000211773 [1,1,0,0,0,0|2,0,0]=4 1454 B14R1.32 C#CCC(C)OCc1cccc(c1)C 34a_100000685586_100000211840 [1,1,0,0,0,0|2,0,0]=4 1455 B14R1.32 C#CCC(C)OCc1cccc(c1)C 7a_100000685586_100000211840 [1,1,0,0,0,0|2,0,0]=4 1456 B14R1.32 C#CCC(C)OCc1cccc(c1)Cl 34a_100000685586_100000187163 [1,1,0,0,0,0|2,0,0]=4 1457 B14R1.32 C#CCC(C)OCc1cccc(c1)Cl 7a_100000685586_100000187163 [1,1,0,0,0,0|2,0,0]=4 1458 B14R1.32 C#CCC(C)OCc1cccc(c1)F 34a_100000685586_100000187166 [1,1,0,0,0,0|2,0,0]=4 1459 B14R1.32 C#CCC(C)OCc1cccc(c1)F 7a_100000685586_100000230114 [1,1,0,0,0,0|2,0,0]=4 1460 B14R1.32 C#CCC(C)OCc1cccc(c1)I 34a_100000685586_100011218688 [1,1,0,0,0,0|2,0,0]=4 1461 B14R1.32 C#CCC(C)OCc1cccc(c1)I 7a_100000685586_100011218688 [1,1,0,0,0,0|2,0,0]=4 1462 B14R1.32 C#CCC(C)OCc1cccc(c1)O 34a_100000685586_100011660834 [1,1,0,0,0,0|2,0,0]=4 1463 B14R1.32 C#CCC(C)OCc1cccc(c1)O 7a_100000685586_100000084143 [1,1,0,0,0,0|2,0,0]=4 1464 B14R1.32 C#CCN(C)CCc1cccc(c1)Br 2230a_100000225692_100011740638 [1,1,0,0,0,0|0,0,0]=2 1465 B14R1.32 C#CCN(C)CCc1cccc(c1)Br 34a_100000225692_100011740638 [1,1,0,0,0,0|0,0,0]=2 1466 B14R1.32 C#CCN(C)CCc1cccc(c1)C 2230a_100000225692_100011713685 [1,1,0,0,0,0|0,0,0]=2 1467 B14R1.32 C#CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000038162 [1,1,0,0,0,0|0,0,0]=2 1468 B14R1.32 C#CCN(C)CCc1cccc(c1)C 34a_100000225692_100011713685 [1,1,0,0,0,0|0,0,0]=2 1469 B14R1.32 C#CCN(C)CCc1cccc(c1)C 34a_114849113767_100000184674 [1,1,0,0,0,0|0,0,0]=2 1470 B14R1.32 C#CCN(C)CCc1cccc(c1)Cl 2230a_100000225692_100011713710 [1,1,0,0,0,0|0,0,0]=2 1471 B14R1.32 C#CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000038162 [1,1,0,0,0,0|0,0,0]=2 1472 B14R1.32 C#CCN(C)CCc1cccc(c1)Cl 34a_100000225692_100011713710 [1,1,0,0,0,0|0,0,0]=2 1473 B14R1.32 C#CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000184674 [1,1,0,0,0,0|0,0,0]=2 1474 B14R1.32 C#CCN(C)CCc1cccc(c1)F 2230a_100000225692_100011217235 [1,1,0,0,0,0|0,0,0]=2 1475 B14R1.32 C#CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000038162 [1,1,0,0,0,0|0,0,0]=2 1476 B14R1.32 C#CCN(C)CCc1cccc(c1)F 34a_100000225692_100011217235 [1,1,0,0,0,0|0,0,0]=2 1477 B14R1.32 C#CCN(C)CCc1cccc(c1)F 34a_106726388868_100000184674 [1,1,0,0,0,0|0,0,0]=2 1478 B14R1.32 C=CCN(C)CCc1cccc(c1)Br 2230a_100000225617_100011740638 [1,1,0,0,0,0|0,0,2]=4 1479 B14R1.32 C=CCN(C)CCc1cccc(c1)Br 269982a_100000225617_100011740638 [1,1,0,0,0,0|0,0,2]=4 1480 B14R1.32 C=CCN(C)CCc1cccc(c1)C 2230a_100000225617_100011713685 [1,1,0,0,0,0|0,0,2]=4 1481 B14R1.32 C=CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210623 [1,1,0,0,0,0|0,0,2]=4 1482 B14R1.32 C=CCN(C)CCc1cccc(c1)C 269982a_100000225617_100011713685 [1,1,0,0,0,0|0,0,2]=4 1483 B14R1.32 C=CCN(C)CCc1cccc(c1)C 269982a_114849113767_100000210623 [1,1,0,0,0,0|0,0,2]=4 1484 B14R1.32 C=CCN(C)CCc1cccc(c1)C 34a_114849113767_100015514636 [1,1,0,0,0,0|0,0,2]=4 1485 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 2230a_100000225617_100011713710 [1,1,0,0,0,0|0,0,2]=4 1486 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210623 [1,1,0,0,0,0|0,0,2]=4 1487 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 269982a_100000225617_100011713710 [1,1,0,0,0,0|0,0,2]=4 1488 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000210623 [1,1,0,0,0,0|0,0,2]=4 1489 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100015514636 [1,1,0,0,0,0|0,0,2]=4 1490 B14R1.32 C=CCN(C)CCc1cccc(c1)F 2230a_100000225617_100011217235 [1,1,0,0,0,0|0,0,2]=4 1491 B14R1.32 C=CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210623 [1,1,0,0,0,0|0,0,2]=4 1492 B14R1.32 C=CCN(C)CCc1cccc(c1)F 269982a_100000225617_100011217235 [1,1,0,0,0,0|0,0,2]=4 1493 B14R1.32 C=CCN(C)CCc1cccc(c1)F 269982a_106726388868_100000210623 [1,1,0,0,0,0|0,0,2]=4 1494 B14R1.32 C=CCN(C)CCc1cccc(c1)F 34a_106726388868_100015514636 [1,1,0,0,0,0|0,0,2]=4 1495 B14R1.32 CCCN(C)CCc1cccc(c1)Br 2230a_100000747261_100011740638 [1,1,0,0,0,0|0,0,2]=4 1496 B14R1.32 CCCN(C)CCc1cccc(c1)Br 269982a_100000747261_100011740638 [1,1,0,0,0,0|0,0,2]=4 1497 B14R1.32 CCCN(C)CCc1cccc(c1)C 2230a_100000747261_100011713685 [1,1,0,0,0,0|0,0,2]=4 1498 B14R1.32 CCCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210303 [1,1,0,0,0,0|0,0,2]=4 1499 B14R1.32 CCCN(C)CCc1cccc(c1)C 269982a_100000747261_100011713685 [1,1,0,0,0,0|0,0,2]=4 1500 B14R1.32 CCCN(C)CCc1cccc(c1)C 269982a_114849113767_100000210303 [1,1,0,0,0,0|0,0,2]=4 1501 B14R1.32 CCCN(C)CCc1cccc(c1)C 34a_114849113767_100000210303 [1,1,0,0,0,0|0,0,2]=4 1502 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 2230a_100000747261_100011713710 [1,1,0,0,0,0|0,0,2]=4 1503 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210303 [1,1,0,0,0,0|0,0,2]=4 1504 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 269982a_100000747261_100011713710 [1,1,0,0,0,0|0,0,2]=4 1505 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000210303 [1,1,0,0,0,0|0,0,2]=4 1506 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210303 [1,1,0,0,0,0|0,0,2]=4 1507 B14R1.32 CCCN(C)CCc1cccc(c1)F 2230a_100000747261_100011217235 [1,1,0,0,0,0|0,0,2]=4 1508 B14R1.32 CCCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210303 [1,1,0,0,0,0|0,0,2]=4 1509 B14R1.32 CCCN(C)CCc1cccc(c1)F 269982a_100000747261_100011217235 [1,1,0,0,0,0|0,0,2]=4 1510 B14R1.32 CCCN(C)CCc1cccc(c1)F 269982a_106726388868_100000210303 [1,1,0,0,0,0|0,0,2]=4 1511 B14R1.32 CCCN(C)CCc1cccc(c1)F 34a_106726388868_100000210303 [1,1,0,0,0,0|0,0,2]=4 1512 B14R1.32 CN(CC#N)CCc1cccc(c1)Br 2230a_100000748184_100011740638 [1,1,0,0,0,0|1,0,0]=3 1513 B14R1.32 CN(CC#N)CCc1cccc(c1)Cl 2230a_100000748184_100011713710 [1,1,0,0,0,0|1,0,0]=3 1514 B14R1.32 CN(CC#N)CCc1cccc(c1)Cl 2230a_106726388433_100011215382 [1,1,0,0,0,0|1,0,0]=3 1515 B14R1.32 CN(CC#N)CCc1cccc(c1)Cl 269982a_106726388433_100011214920 [1,1,0,0,0,0|1,0,0]=3 1516 B14R1.32 CN(CC#N)CCc1cccc(c1)F 2230a_100000748184_100011217235 [1,1,0,0,0,0|1,0,0]=3 1517 B14R1.32 CN(CC#N)CCc1cccc(c1)F 2230a_106726388868_100011215382 [1,1,0,0,0,0|1,0,0]=3 1518 B14R1.32 CN(CC#N)CCc1cccc(c1)F 269982a_106726388868_100011214920 [1,1,0,0,0,0|1,0,0]=3 1519 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 2230a_106726388433_200015260668 [1,1,0,0,0,0|1,0,1]=4 1520 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 269982a_106726388433_200015260668 [1,1,0,0,0,0|1,0,1]=4 1521 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 34a_106726388433_200009817547 [1,1,0,0,0,0|1,0,1]=4 1522 B14R1.32 CN(CC=O)CCc1cccc(c1)F 2230a_106726388868_200015260668 [1,1,0,0,0,0|1,0,1]=4 1523 B14R1.32 CN(CC=O)CCc1cccc(c1)F 269982a_106726388868_200015260668 [1,1,0,0,0,0|1,0,1]=4 1524 B14R1.32 CN(CC=O)CCc1cccc(c1)F 34a_106726388868_200009817547 [1,1,0,0,0,0|1,0,1]=4 1525 B14R1.32 CN(CCF)CCc1cccc(c1)Cl 2230a_106726388433_100011217306 [1,1,0,0,0,0|1,0,1]=4 1526 B14R1.32 CN(CCF)CCc1cccc(c1)Cl 269982a_106726388433_100011217306 [1,1,0,0,0,0|1,0,1]=4 1527 B14R1.32 CN(CCF)CCc1cccc(c1)Cl 34a_106726388433_100011217306 [1,1,0,0,0,0|1,0,1]=4 1528 B14R1.32 CN(CCF)CCc1cccc(c1)F 2230a_106726388868_100011217306 [1,1,0,0,0,0|1,0,1]=4 1529 B14R1.32 CN(CCF)CCc1cccc(c1)F 269982a_106726388868_100011217306 [1,1,0,0,0,0|1,0,1]=4 1530 B14R1.32 CN(CCF)CCc1cccc(c1)F 34a_106726388868_100011217306 [1,1,0,0,0,0|1,0,1]=4 1531 B14R1.32 CN(CCO)CCc1cccc(c1)Br 2230a_100000210263_100011740638 [1,1,0,0,0,0|1,0,1]=4 1532 B14R1.32 CN(CCO)CCc1cccc(c1)Br 269982a_100000210263_100011740638 [1,1,0,0,0,0|1,0,1]=4 1533 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 2230a_100000210263_100011713710 [1,1,0,0,0,0|1,0,1]=4 1534 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 2230a_106726388433_100000211926 [1,1,0,0,0,0|1,0,1]=4 1535 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 269982a_100000210263_100011713710 [1,1,0,0,0,0|1,0,1]=4 1536 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 269982a_106726388433_100000211926 [1,1,0,0,0,0|1,0,1]=4 1537 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 34a_106726388433_100000211926 [1,1,0,0,0,0|1,0,1]=4 1538 B14R1.32 CN(CCO)CCc1cccc(c1)F 2230a_100000210263_100011217235 [1,1,0,0,0,0|1,0,1]=4 1539 B14R1.32 CN(CCO)CCc1cccc(c1)F 2230a_106726388868_100000211926 [1,1,0,0,0,0|1,0,1]=4 1540 B14R1.32 CN(CCO)CCc1cccc(c1)F 269982a_100000210263_100011217235 [1,1,0,0,0,0|1,0,1]=4 1541 B14R1.32 CN(CCO)CCc1cccc(c1)F 269982a_106726388868_100000211926 [1,1,0,0,0,0|1,0,1]=4 1542 B14R1.32 CN(CCO)CCc1cccc(c1)F 34a_106726388868_100000211926 [1,1,0,0,0,0|1,0,1]=4 1543 B14R1.32 COCN(C)CCc1cccc(c1)C 2230a_114849113767_100000766300 [1,1,0,0,0,0|1,0,1]=4 1544 B14R1.32 COCN(C)CCc1cccc(c1)C 269982a_114849113767_100000766300 [1,1,0,0,0,0|1,0,1]=4 1545 B14R1.32 COCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000766300 [1,1,0,0,0,0|1,0,1]=4 1546 B14R1.32 COCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000766300 [1,1,0,0,0,0|1,0,1]=4 1547 B14R1.32 COCN(C)CCc1cccc(c1)F 2230a_106726388868_100000766300 [1,1,0,0,0,0|1,0,1]=4 1548 B14R1.32 COCN(C)CCc1cccc(c1)F 269982a_106726388868_100000766300 [1,1,0,0,0,0|1,0,1]=4 1549 B14R1.32 CSCN(C)CCc1cccc(c1)C 2230a_114849113767_100011218213 [1,1,0,0,0,0|1,0,1]=4 1550 B14R1.32 CSCN(C)CCc1cccc(c1)C 269982a_114849113767_100011218213 [1,1,0,0,0,0|1,0,1]=4 1551 B14R1.32 CSCN(C)CCc1cccc(c1)C 34a_114849113767_100011218213 [1,1,0,0,0,0|1,0,1]=4 1552 B14R1.32 CSCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100011218213 [1,1,0,0,0,0|1,0,1]=4 1553 B14R1.32 CSCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100011218213 [1,1,0,0,0,0|1,0,1]=4 1554 B14R1.32 CSCN(C)CCc1cccc(c1)Cl 34a_106726388433_100011218213 [1,1,0,0,0,0|1,0,1]=4 1555 B14R1.32 CSCN(C)CCc1cccc(c1)F 2230a_106726388868_100011218213 [1,1,0,0,0,0|1,0,1]=4 1556 B14R1.32 CSCN(C)CCc1cccc(c1)F 269982a_106726388868_100011218213 [1,1,0,0,0,0|1,0,1]=4 1557 B14R1.32 CSCN(C)CCc1cccc(c1)F 34a_106726388868_100011218213 [1,1,0,0,0,0|1,0,1]=4 1558 B14R1.32 Cc1cccc(c1)CCN(C)CC#N 2230a_100000748184_100011713685 [1,1,0,0,0,0|1,0,0]=3 1559 B14R1.32 Cc1cccc(c1)CCN(C)CC#N 2230a_114849113767_100011215382 [1,1,0,0,0,0|1,0,0]=3 1560 B14R1.32 Cc1cccc(c1)CCN(C)CC#N 269982a_114849113767_100011214920 [1,1,0,0,0,0|1,0,0]=3 1561 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 2230a_114849113767_200015260668 [1,1,0,0,0,0|1,0,1]=4 1562 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 269982a_114849113767_200015260668 [1,1,0,0,0,0|1,0,1]=4 1563 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 34a_114849113767_200009817547 [1,1,0,0,0,0|1,0,1]=4 1564 B14R1.32 Cc1cccc(c1)CCN(C)CCF 2230a_114849113767_100011217306 [1,1,0,0,0,0|1,0,1]=4 1565 B14R1.32 Cc1cccc(c1)CCN(C)CCF 269982a_114849113767_100011217306 [1,1,0,0,0,0|1,0,1]=4 1566 B14R1.32 Cc1cccc(c1)CCN(C)CCF 34a_114849113767_100011217306 [1,1,0,0,0,0|1,0,1]=4 1567 B14R1.32 Cc1cccc(c1)CCN(C)CCO 2230a_100000210263_100011713685 [1,1,0,0,0,0|1,0,1]=4 1568 B14R1.32 Cc1cccc(c1)CCN(C)CCO 2230a_114849113767_100000211926 [1,1,0,0,0,0|1,0,1]=4 1569 B14R1.32 Cc1cccc(c1)CCN(C)CCO 269982a_100000210263_100011713685 [1,1,0,0,0,0|1,0,1]=4 1570 B14R1.32 Cc1cccc(c1)CCN(C)CCO 269982a_114849113767_100000211926 [1,1,0,0,0,0|1,0,1]=4 1571 B14R1.32 Cc1cccc(c1)CCN(C)CCO 34a_114849113767_100000211926 [1,1,0,0,0,0|1,0,1]=4 1572 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000185753_100000753159 [1,1,0,0,0,0|2,0,0]=4 1573 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000692101_100000765856 [1,1,0,0,0,0|2,0,0]=4 1574 B14R1.156 C#CCCN(C)CCc1ccccc1 2230a_100000207497_100000688953 [1,1,0,0,0,0|0,0,0]=2 1575 B14R1.156 C#CCCN(C)CCc1ccccc1 269982a_100000207497_100000730999 [1,1,0,0,0,0|0,0,0]=2 1576 B14R1.156 C#CCCN(C)CCc1ccccn1 2230a_100000737206_100000688953 [1,1,0,0,0,0|1,0,0]=3 1577 B14R1.156 C#CCCN(C)CCc1ccccn1 269982a_100000737206_100000730999 [1,1,0,0,0,0|1,0,0]=3 1578 B14R1.156 C#CCCN(C)CCc1cccnc1 2230a_100000763209_100000688953 [1,1,0,0,0,0|1,0,0]=3 1579 B14R1.156 C#CCCN(C)CCc1cccnc1 269982a_100000763209_100000730999 [1,1,0,0,0,0|1,0,0]=3 1580 B14R1.156 C#CCCN(C)CCc1ccncc1 2230a_100000742850_100000688953 [1,1,0,0,0,0|1,0,0]=3 1581 B14R1.156 C#CCCN(C)CCc1ccncc1 269982a_100000742850_100000730999 [1,1,0,0,0,0|1,0,0]=3 1582 B14R1.156 C#CCNC(=O)CCc1ccccc1 11a_100000212058_100000185753 [1,1,0,0,0,0|2,0,0]=4 1583 B14R1.156 C#CCNC(=O)CCc1ccccc1 1626a_100000212058_100000185753 [1,1,0,0,0,0|2,0,0]=4 1584 B14R1.156 C#CCNC(=O)CCc1ccccc1 240690a_100000212058_100000185753 [1,1,0,0,0,0|2,0,0]=4 1585 B14R1.156 C#CCNC(=O)CCc1ccccc1 527a_100000212058_100000185753 [1,1,0,0,0,0|2,0,0]=4 1586 B14R1.156 C#CCNC(C)CCc1ccccc1 2230a_100000210798_100000038162 [1,1,0,0,0,0|1,0,0]=3 1587 B14R1.156 C#CCNC(C)CCc1ccccc1 34a_100000210798_100000184674 [1,1,0,0,0,0|1,0,0]=3 1588 B14R1.156 C#CCNC(C)COc1ccccc1 2230a_100000746794_100000038162 [1,1,0,0,0,0|2,0,0]=4 1589 B14R1.156 C#CCNC(C)COc1ccccc1 34a_100000746794_100000184674 [1,1,0,0,0,0|2,0,0]=4 1590 B14R1.156 C#CCOC(C)COc1ccccc1 34a_100000210911_100000184674 [1,1,0,0,0,0|2,0,0]=4 1591 B14R1.156 C#CCOC(C)COc1ccccc1 7a_100000210911_100000038162 [1,1,0,0,0,0|2,0,0]=4 1592 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000184674 [1,1,0,0,0,0|1,0,0]=3 1593 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000038162 [1,1,0,0,0,0|1,0,0]=3 1594 B14R1.156 C/C=C/CN(C)CCc1ccccc1 269982a_100000207497_100102629194 [1,1,0,0,0,0|0,0,2]=4 1595 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100000207497_100000754431 [1,1,0,0,0,0|0,0,2]=4 1596 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100020639649_100000765856 [1,1,0,0,0,0|0,0,2]=4 1597 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100000207497_100000754431 [1,1,0,0,0,0|0,0,2]=4 1598 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100020639649_100000765856 [1,1,0,0,0,0|0,0,2]=4 1599 B14R1.156 CC#CCC(=O)CCc1ccccc1 1458a_100000185753_100000748600 [1,1,0,0,0,0|2,0,0]=4 1600 B14R1.156 CC#CCN(C)CCc1ccccc1 2230a_100000207497_100000748600 [1,1,0,0,0,0|0,0,0]=2 1601 B14R1.156 CC#CCN(C)CCc1ccccn1 2230a_100000737206_100000748600 [1,1,0,0,0,0|1,0,0]=3 1602 B14R1.156 CC#CCN(C)CCc1cccnc1 2230a_100000763209_100000748600 [1,1,0,0,0,0|1,0,0]=3 1603 B14R1.156 CC#CCN(C)CCc1ccncc1 2230a_100000742850_100000748600 [1,1,0,0,0,0|1,0,0]=3 1604 B14R1.156 CC(CCc1ccccc1)NCC#N 2230a_100000210798_100011215382 [1,1,0,0,0,0|2,0,0]=4 1605 B14R1.156 CC=CCN(C)CCc1ccccc1 2230a_100000207497_100000070051 [1,1,0,0,0,0|0,0,2]=4 1606 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207497_100000210211 [1,1,0,0,0,0|0,0,2]=4 1607 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207549_100000765856 [1,1,0,0,0,0|0,0,2]=4 1608 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207497_100000210211 [1,1,0,0,0,0|0,0,2]=4 1609 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207549_100000765856 [1,1,0,0,0,0|0,0,2]=4 1610 B14R1.156 CCOCN(C)CCc1ccccc1 269982a_100000207497_100000739092 [1,1,0,0,0,0|0,0,2]=4 1611 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000184479_100000765856 [1,1,0,0,0,0|0,0,1]=3 1612 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000207497_100011215226 [1,1,0,0,0,0|0,0,1]=3 1613 B14R1.156 CN(CCC#N)CCc1ccccc1 269982a_100000207497_100011215226 [1,1,0,0,0,0|0,0,1]=3 1614 B14R1.156 CN(CCC#N)CCc1ccccn1 2230a_100000184479_100015183660 [1,1,0,0,0,0|1,0,1]=4 1615 B14R1.156 CN(CCC#N)CCc1ccccn1 2230a_100000737206_100011215226 [1,1,0,0,0,0|1,0,1]=4 1616 B14R1.156 CN(CCC#N)CCc1ccccn1 269982a_100000737206_100011215226 [1,1,0,0,0,0|1,0,1]=4 1617 B14R1.156 CN(CCC#N)CCc1cccnc1 2230a_100000184479_200011713674 [1,1,0,0,0,0|1,0,1]=4 1618 B14R1.156 CN(CCC#N)CCc1cccnc1 2230a_100000763209_100011215226 [1,1,0,0,0,0|1,0,1]=4 1619 B14R1.156 CN(CCC#N)CCc1cccnc1 269982a_100000763209_100011215226 [1,1,0,0,0,0|1,0,1]=4 1620 B14R1.156 CN(CCC#N)CCc1ccncc1 2230a_100000184479_100000723409 [1,1,0,0,0,0|1,0,1]=4 1621 B14R1.156 CN(CCC#N)CCc1ccncc1 2230a_100000742850_100011215226 [1,1,0,0,0,0|1,0,1]=4 1622 B14R1.156 CN(CCC#N)CCc1ccncc1 269982a_100000742850_100011215226 [1,1,0,0,0,0|1,0,1]=4 1623 B14R1.156 CN(CCC#N)CSc1ccccc1 2230a_100000184479_100011218342 [1,1,0,0,0,0|1,0,1]=4 1624 B14R1.156 CN(CCCF)CCc1ccccc1 2230a_100000207497_100011934791 [1,1,0,0,0,0|0,0,2]=4 1625 B14R1.156 CN(CCCF)CCc1ccccc1 269982a_100000207497_100011934791 [1,1,0,0,0,0|0,0,2]=4 1626 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000207497_100000230001 [1,1,0,0,0,0|0,0,2]=4 1627 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000213112_100000765856 [1,1,0,0,0,0|0,0,2]=4 1628 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000207497_100011215043 [1,1,0,0,0,0|0,0,2]=4 1629 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000213112_100000765856 [1,1,0,0,0,0|0,0,2]=4 1630 B14R1.156 CN(CCc1ccccc1)CSC#N 269982a_100000207497_100000211825 [1,1,0,0,0,0|1,0,0]=3 1631 B14R1.156 CN(CCc1ccccn1)CSC#N 269982a_100000737206_100000211825 [1,1,0,0,0,0|2,0,0]=4 1632 B14R1.156 CN(CCc1cccnc1)CSC#N 269982a_100000763209_100000211825 [1,1,0,0,0,0|2,0,0]=4 1633 B14R1.156 CN(CCc1ccncc1)CSC#N 269982a_100000742850_100000211825 [1,1,0,0,0,0|2,0,0]=4 1634 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000200122_200000210301 [1,1,0,0,0,0|0,0,2]=4 1635 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000207497_100011201679 [1,1,0,0,0,0|0,0,2]=4 1636 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000743101_100000765856 [1,1,0,0,0,0|0,0,2]=4 1637 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000200122_200000210301 [1,1,0,0,0,0|0,0,2]=4 1638 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000207497_100000233755 [1,1,0,0,0,0|0,0,2]=4 1639 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000743101_100000765856 [1,1,0,0,0,0|0,0,2]=4 1640 B14R1.156 COCCN(C)CCc1ccccc1 34a_100000200122_200000210301 [1,1,0,0,0,0|0,0,2]=4 1641 B14R1.156 COCCN([13CH3])CCc1ccccc1 2230a_100000200122_200025704644 [1,1,0,0,0,0|0,0,2]=4 1642 B14R1.156 COCCN([13CH3])CCc1ccccc1 269982a_100000200122_200025704644 [1,1,0,0,0,0|0,0,2]=4 1643 B14R1.156 COCCN([13CH3])CCc1ccccc1 34a_100000200122_200025704644 [1,1,0,0,0,0|0,0,2]=4 1644 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000207497_100000751147 [1,1,0,0,0,0|0,0,2]=4 1645 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000686725_100000765856 [1,1,0,0,0,0|0,0,2]=4 1646 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000207497_100000212216 [1,1,0,0,0,0|0,0,2]=4 1647 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000686725_100000765856 [1,1,0,0,0,0|0,0,2]=4 1648 B14R1.156 C[C@@H](CCc1ccccc1)OCC#N 7a_100009815974_100011215382 [1,1,0,0,0,0|2,0,0]=4 1649 B14R1.502 C#CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000184674 [1,1,0,0,0,0|2,0,0]=4 1650 B14R1.502 C#CCC(=O)CCc1ccc(cc1)Br 1458a_100011220946_100011740612 [1,1,0,0,0,0|2,0,0]=4 1651 B14R1.502 C#CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000184674 [1,1,0,0,0,0|2,0,0]=4 1652 B14R1.502 C#CCC(=O)CCc1ccc(cc1)C 1458a_100011220946_100011713686 [1,1,0,0,0,0|2,0,0]=4 1653 B14R1.502 C#CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000184674 [1,1,0,0,0,0|2,0,0]=4 1654 B14R1.502 C#CCC(=O)CCc1ccc(cc1)Cl 1458a_100011220946_100011713675 [1,1,0,0,0,0|2,0,0]=4 1655 B14R1.502 C#CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000184674 [1,1,0,0,0,0|2,0,0]=4 1656 B14R1.502 C#CCC(=O)CCc1ccc(cc1)F 1458a_100011220946_100011217392 [1,1,0,0,0,0|2,0,0]=4 1657 B14R1.502 C#CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000184674 [1,1,0,0,0,0|2,0,0]=4 1658 B14R1.502 C#CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000184674 [1,1,0,0,0,0|2,0,0]=4 1659 B14R1.502 C#CCC(=O)CCc1ccc(cc1)O 1458a_100011220946_100009816426 [1,1,0,0,0,0|2,0,0]=4 1660 B14R1.502 C#CCC(C)OCc1ccc(cc1)Br 34a_100000685586_100000189115 [1,1,0,0,0,0|2,0,0]=4 1661 B14R1.502 C#CCC(C)OCc1ccc(cc1)Br 7a_100000685586_100011217064 [1,1,0,0,0,0|2,0,0]=4 1662 B14R1.502 C#CCC(C)OCc1ccc(cc1)C 34a_100000685586_100000210814 [1,1,0,0,0,0|2,0,0]=4 1663 B14R1.502 C#CCC(C)OCc1ccc(cc1)C 7a_100000685586_100000210814 [1,1,0,0,0,0|2,0,0]=4 1664 B14R1.502 C#CCC(C)OCc1ccc(cc1)Cl 34a_100000685586_100000694040 [1,1,0,0,0,0|2,0,0]=4 1665 B14R1.502 C#CCC(C)OCc1ccc(cc1)Cl 7a_100000685586_100000187161 [1,1,0,0,0,0|2,0,0]=4 1666 B14R1.502 C#CCC(C)OCc1ccc(cc1)F 34a_100000685586_100000198546 [1,1,0,0,0,0|2,0,0]=4 1667 B14R1.502 C#CCC(C)OCc1ccc(cc1)F 7a_100000685586_100000198546 [1,1,0,0,0,0|2,0,0]=4 1668 B14R1.502 C#CCC(C)OCc1ccc(cc1)I 34a_100000685586_100000189116 [1,1,0,0,0,0|2,0,0]=4 1669 B14R1.502 C#CCC(C)OCc1ccc(cc1)I 7a_100000685586_100000189116 [1,1,0,0,0,0|2,0,0]=4 1670 B14R1.502 C#CCN(C)CCc1ccc(cc1)Br 2230a_100000225692_100011740612 [1,1,0,0,0,0|0,0,0]=2 1671 B14R1.502 C#CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000038162 [1,1,0,0,0,0|0,0,0]=2 1672 B14R1.502 C#CCN(C)CCc1ccc(cc1)Br 34a_100000225692_100011740612 [1,1,0,0,0,0|0,0,0]=2 1673 B14R1.502 C#CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000184674 [1,1,0,0,0,0|0,0,0]=2 1674 B14R1.502 C#CCN(C)CCc1ccc(cc1)C 2230a_100000225692_100011713686 [1,1,0,0,0,0|0,0,0]=2 1675 B14R1.502 C#CCN(C)CCc1ccc(cc1)C 34a_100000225692_100011713686 [1,1,0,0,0,0|0,0,0]=2 1676 B14R1.502 C#CCN(C)CCc1ccc(cc1)Cl 2230a_100000225692_100011713675 [1,1,0,0,0,0|0,0,0]=2 1677 B14R1.502 C#CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000038162 [1,1,0,0,0,0|0,0,0]=2 1678 B14R1.502 C#CCN(C)CCc1ccc(cc1)Cl 34a_100000225692_100011713675 [1,1,0,0,0,0|0,0,0]=2 1679 B14R1.502 C#CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000184674 [1,1,0,0,0,0|0,0,0]=2 1680 B14R1.502 C#CCN(C)CCc1ccc(cc1)F 2230a_100000225692_100011217392 [1,1,0,0,0,0|0,0,0]=2 1681 B14R1.502 C#CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000038162 [1,1,0,0,0,0|0,0,0]=2 1682 B14R1.502 C#CCN(C)CCc1ccc(cc1)F 34a_100000225692_100011217392 [1,1,0,0,0,0|0,0,0]=2 1683 B14R1.502 C#CCN(C)CCc1ccc(cc1)F 34a_100102946585_100000184674 [1,1,0,0,0,0|0,0,0]=2 1684 B14R1.502 C#CCN(C)CCc1ccc(cc1)O 2230a_100000225692_100009816426 [1,1,0,0,0,0|0,0,0]=2 1685 B14R1.502 C#CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000038162 [1,1,0,0,0,0|0,0,0]=2 1686 B14R1.502 C#CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000184674 [1,1,0,0,0,0|0,0,0]=2 1687 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 2230a_100000225617_100011740612 [1,1,0,0,0,0|0,0,2]=4 1688 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210623 [1,1,0,0,0,0|0,0,2]=4 1689 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 269982a_100000225617_100011740612 [1,1,0,0,0,0|0,0,2]=4 1690 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000210623 [1,1,0,0,0,0|0,0,2]=4 1691 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100015514636 [1,1,0,0,0,0|0,0,2]=4 1692 B14R1.502 C=CCN(C)CCc1ccc(cc1)C 2230a_100000225617_100011713686 [1,1,0,0,0,0|0,0,2]=4 1693 B14R1.502 C=CCN(C)CCc1ccc(cc1)C 269982a_100000225617_100011713686 [1,1,0,0,0,0|0,0,2]=4 1694 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 2230a_100000225617_100011713675 [1,1,0,0,0,0|0,0,2]=4 1695 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210623 [1,1,0,0,0,0|0,0,2]=4 1696 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 269982a_100000225617_100011713675 [1,1,0,0,0,0|0,0,2]=4 1697 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000210623 [1,1,0,0,0,0|0,0,2]=4 1698 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100015514636 [1,1,0,0,0,0|0,0,2]=4 1699 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 2230a_100000225617_100011217392 [1,1,0,0,0,0|0,0,2]=4 1700 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210623 [1,1,0,0,0,0|0,0,2]=4 1701 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 269982a_100000225617_100011217392 [1,1,0,0,0,0|0,0,2]=4 1702 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000210623 [1,1,0,0,0,0|0,0,2]=4 1703 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 34a_100102946585_100015514636 [1,1,0,0,0,0|0,0,2]=4 1704 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 2230a_100000225617_100009816426 [1,1,0,0,0,0|0,0,2]=4 1705 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210623 [1,1,0,0,0,0|0,0,2]=4 1706 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 269982a_100000225617_100009816426 [1,1,0,0,0,0|0,0,2]=4 1707 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000210623 [1,1,0,0,0,0|0,0,2]=4 1708 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 34a_100016989440_100015514636 [1,1,0,0,0,0|0,0,2]=4 1709 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 2230a_100000747261_100011740612 [1,1,0,0,0,0|0,0,2]=4 1710 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210303 [1,1,0,0,0,0|0,0,2]=4 1711 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 269982a_100000747261_100011740612 [1,1,0,0,0,0|0,0,2]=4 1712 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000210303 [1,1,0,0,0,0|0,0,2]=4 1713 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210303 [1,1,0,0,0,0|0,0,2]=4 1714 B14R1.502 CCCN(C)CCc1ccc(cc1)C 2230a_100000747261_100011713686 [1,1,0,0,0,0|0,0,2]=4 1715 B14R1.502 CCCN(C)CCc1ccc(cc1)C 269982a_100000747261_100011713686 [1,1,0,0,0,0|0,0,2]=4 1716 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210303 [1,1,0,0,0,0|0,0,2]=4 1717 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 2230a_100000747261_100011713675 [1,1,0,0,0,0|0,0,2]=4 1718 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000210303 [1,1,0,0,0,0|0,0,2]=4 1719 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 269982a_100000747261_100011713675 [1,1,0,0,0,0|0,0,2]=4 1720 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210303 [1,1,0,0,0,0|0,0,2]=4 1721 B14R1.502 CCCN(C)CCc1ccc(cc1)F 2230a_100000747261_100011217392 [1,1,0,0,0,0|0,0,2]=4 1722 B14R1.502 CCCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210303 [1,1,0,0,0,0|0,0,2]=4 1723 B14R1.502 CCCN(C)CCc1ccc(cc1)F 269982a_100000747261_100011217392 [1,1,0,0,0,0|0,0,2]=4 1724 B14R1.502 CCCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000210303 [1,1,0,0,0,0|0,0,2]=4 1725 B14R1.502 CCCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210303 [1,1,0,0,0,0|0,0,2]=4 1726 B14R1.502 CCCN(C)CCc1ccc(cc1)O 2230a_100000747261_100009816426 [1,1,0,0,0,0|0,0,2]=4 1727 B14R1.502 CCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210303 [1,1,0,0,0,0|0,0,2]=4 1728 B14R1.502 CCCN(C)CCc1ccc(cc1)O 269982a_100000747261_100009816426 [1,1,0,0,0,0|0,0,2]=4 1729 B14R1.502 CCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000210303 [1,1,0,0,0,0|0,0,2]=4 1730 B14R1.502 CCCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210303 [1,1,0,0,0,0|0,0,2]=4 1731 B14R1.502 CN(CC#N)CCc1ccc(cc1)Br 2230a_100000748184_100011740612 [1,1,0,0,0,0|1,0,0]=3 1732 B14R1.502 CN(CC#N)CCc1ccc(cc1)Br 2230a_100000752880_100011215382 [1,1,0,0,0,0|1,0,0]=3 1733 B14R1.502 CN(CC#N)CCc1ccc(cc1)Br 269982a_100000752880_100011214920 [1,1,0,0,0,0|1,0,0]=3 1734 B14R1.502 CN(CC#N)CCc1ccc(cc1)Cl 2230a_100000698262_100011215382 [1,1,0,0,0,0|1,0,0]=3 1735 B14R1.502 CN(CC#N)CCc1ccc(cc1)Cl 2230a_100000748184_100011713675 [1,1,0,0,0,0|1,0,0]=3 1736 B14R1.502 CN(CC#N)CCc1ccc(cc1)Cl 269982a_100000698262_100011214920 [1,1,0,0,0,0|1,0,0]=3 1737 B14R1.502 CN(CC#N)CCc1ccc(cc1)F 2230a_100000748184_100011217392 [1,1,0,0,0,0|1,0,0]=3 1738 B14R1.502 CN(CC#N)CCc1ccc(cc1)F 2230a_100102946585_100011215382 [1,1,0,0,0,0|1,0,0]=3 1739 B14R1.502 CN(CC#N)CCc1ccc(cc1)F 269982a_100102946585_100011214920 [1,1,0,0,0,0|1,0,0]=3 1740 B14R1.502 CN(CC#N)CCc1ccc(cc1)O 2230a_100000748184_100009816426 [1,1,0,0,0,0|1,0,0]=3 1741 B14R1.502 CN(CC#N)CCc1ccc(cc1)O 2230a_100016989440_100011215382 [1,1,0,0,0,0|1,0,0]=3 1742 B14R1.502 CN(CC#N)CCc1ccc(cc1)O 269982a_100016989440_100011214920 [1,1,0,0,0,0|1,0,0]=3 1743 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 2230a_100000752880_200015260668 [1,1,0,0,0,0|1,0,1]=4 1744 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 269982a_100000752880_200015260668 [1,1,0,0,0,0|1,0,1]=4 1745 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 34a_100000752880_200009817547 [1,1,0,0,0,0|1,0,1]=4 1746 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 2230a_100000698262_200015260668 [1,1,0,0,0,0|1,0,1]=4 1747 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 269982a_100000698262_200015260668 [1,1,0,0,0,0|1,0,1]=4 1748 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 34a_100000698262_200009817547 [1,1,0,0,0,0|1,0,1]=4 1749 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 2230a_100102946585_200015260668 [1,1,0,0,0,0|1,0,1]=4 1750 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 269982a_100102946585_200015260668 [1,1,0,0,0,0|1,0,1]=4 1751 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 34a_100102946585_200009817547 [1,1,0,0,0,0|1,0,1]=4 1752 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 2230a_100016989440_200015260668 [1,1,0,0,0,0|1,0,1]=4 1753 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 269982a_100016989440_200015260668 [1,1,0,0,0,0|1,0,1]=4 1754 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 34a_100016989440_200009817547 [1,1,0,0,0,0|1,0,1]=4 1755 B14R1.502 CN(CCF)CCc1ccc(cc1)Br 2230a_100000752880_100011217306 [1,1,0,0,0,0|1,0,1]=4 1756 B14R1.502 CN(CCF)CCc1ccc(cc1)Br 269982a_100000752880_100011217306 [1,1,0,0,0,0|1,0,1]=4 1757 B14R1.502 CN(CCF)CCc1ccc(cc1)Br 34a_100000752880_100011217306 [1,1,0,0,0,0|1,0,1]=4 1758 B14R1.502 CN(CCF)CCc1ccc(cc1)Cl 2230a_100000698262_100011217306 [1,1,0,0,0,0|1,0,1]=4 1759 B14R1.502 CN(CCF)CCc1ccc(cc1)Cl 269982a_100000698262_100011217306 [1,1,0,0,0,0|1,0,1]=4 1760 B14R1.502 CN(CCF)CCc1ccc(cc1)Cl 34a_100000698262_100011217306 [1,1,0,0,0,0|1,0,1]=4 1761 B14R1.502 CN(CCF)CCc1ccc(cc1)F 2230a_100102946585_100011217306 [1,1,0,0,0,0|1,0,1]=4 1762 B14R1.502 CN(CCF)CCc1ccc(cc1)F 269982a_100102946585_100011217306 [1,1,0,0,0,0|1,0,1]=4 1763 B14R1.502 CN(CCF)CCc1ccc(cc1)F 34a_100102946585_100011217306 [1,1,0,0,0,0|1,0,1]=4 1764 B14R1.502 CN(CCF)CCc1ccc(cc1)O 2230a_100016989440_100011217306 [1,1,0,0,0,0|1,0,1]=4 1765 B14R1.502 CN(CCF)CCc1ccc(cc1)O 269982a_100016989440_100011217306 [1,1,0,0,0,0|1,0,1]=4 1766 B14R1.502 CN(CCF)CCc1ccc(cc1)O 34a_100016989440_100011217306 [1,1,0,0,0,0|1,0,1]=4 1767 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 2230a_100000210263_100011740612 [1,1,0,0,0,0|1,0,1]=4 1768 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 2230a_100000752880_100000211926 [1,1,0,0,0,0|1,0,1]=4 1769 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 269982a_100000210263_100011740612 [1,1,0,0,0,0|1,0,1]=4 1770 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 269982a_100000752880_100000211926 [1,1,0,0,0,0|1,0,1]=4 1771 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 34a_100000752880_100000211926 [1,1,0,0,0,0|1,0,1]=4 1772 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 2230a_100000210263_100011713675 [1,1,0,0,0,0|1,0,1]=4 1773 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 2230a_100000698262_100000211926 [1,1,0,0,0,0|1,0,1]=4 1774 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 269982a_100000210263_100011713675 [1,1,0,0,0,0|1,0,1]=4 1775 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 269982a_100000698262_100000211926 [1,1,0,0,0,0|1,0,1]=4 1776 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 34a_100000698262_100000211926 [1,1,0,0,0,0|1,0,1]=4 1777 B14R1.502 CN(CCO)CCc1ccc(cc1)F 2230a_100000210263_100011217392 [1,1,0,0,0,0|1,0,1]=4 1778 B14R1.502 CN(CCO)CCc1ccc(cc1)F 2230a_100102946585_100000211926 [1,1,0,0,0,0|1,0,1]=4 1779 B14R1.502 CN(CCO)CCc1ccc(cc1)F 269982a_100000210263_100011217392 [1,1,0,0,0,0|1,0,1]=4 1780 B14R1.502 CN(CCO)CCc1ccc(cc1)F 269982a_100102946585_100000211926 [1,1,0,0,0,0|1,0,1]=4 1781 B14R1.502 CN(CCO)CCc1ccc(cc1)F 34a_100102946585_100000211926 [1,1,0,0,0,0|1,0,1]=4 1782 B14R1.502 CN(CCO)CCc1ccc(cc1)O 2230a_100000210263_100009816426 [1,1,0,0,0,0|1,0,1]=4 1783 B14R1.502 CN(CCO)CCc1ccc(cc1)O 2230a_100016989440_100000211926 [1,1,0,0,0,0|1,0,1]=4 1784 B14R1.502 CN(CCO)CCc1ccc(cc1)O 269982a_100000210263_100009816426 [1,1,0,0,0,0|1,0,1]=4 1785 B14R1.502 CN(CCO)CCc1ccc(cc1)O 269982a_100016989440_100000211926 [1,1,0,0,0,0|1,0,1]=4 1786 B14R1.502 CN(CCO)CCc1ccc(cc1)O 34a_100016989440_100000211926 [1,1,0,0,0,0|1,0,1]=4 1787 B14R1.502 COCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000766300 [1,1,0,0,0,0|1,0,1]=4 1788 B14R1.502 COCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000766300 [1,1,0,0,0,0|1,0,1]=4 1789 B14R1.502 COCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000766300 [1,1,0,0,0,0|1,0,1]=4 1790 B14R1.502 COCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000766300 [1,1,0,0,0,0|1,0,1]=4 1791 B14R1.502 COCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000766300 [1,1,0,0,0,0|1,0,1]=4 1792 B14R1.502 COCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000766300 [1,1,0,0,0,0|1,0,1]=4 1793 B14R1.502 COCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000766300 [1,1,0,0,0,0|1,0,1]=4 1794 B14R1.502 COCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000766300 [1,1,0,0,0,0|1,0,1]=4 1795 B14R1.502 CSCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100011218213 [1,1,0,0,0,0|1,0,1]=4 1796 B14R1.502 CSCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100011218213 [1,1,0,0,0,0|1,0,1]=4 1797 B14R1.502 CSCN(C)CCc1ccc(cc1)Br 34a_100000752880_100011218213 [1,1,0,0,0,0|1,0,1]=4 1798 B14R1.502 CSCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100011218213 [1,1,0,0,0,0|1,0,1]=4 1799 B14R1.502 CSCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100011218213 [1,1,0,0,0,0|1,0,1]=4 1800 B14R1.502 CSCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100011218213 [1,1,0,0,0,0|1,0,1]=4 1801 B14R1.502 CSCN(C)CCc1ccc(cc1)F 2230a_100102946585_100011218213 [1,1,0,0,0,0|1,0,1]=4 1802 B14R1.502 CSCN(C)CCc1ccc(cc1)F 269982a_100102946585_100011218213 [1,1,0,0,0,0|1,0,1]=4 1803 B14R1.502 CSCN(C)CCc1ccc(cc1)F 34a_100102946585_100011218213 [1,1,0,0,0,0|1,0,1]=4 1804 B14R1.502 CSCN(C)CCc1ccc(cc1)O 2230a_100016989440_100011218213 [1,1,0,0,0,0|1,0,1]=4 1805 B14R1.502 CSCN(C)CCc1ccc(cc1)O 269982a_100016989440_100011218213 [1,1,0,0,0,0|1,0,1]=4 1806 B14R1.502 CSCN(C)CCc1ccc(cc1)O 34a_100016989440_100011218213 [1,1,0,0,0,0|1,0,1]=4 1807 B14R1.502 Cc1ccc(cc1)CCN(C)CC#N 2230a_100000748184_100011713686 [1,1,0,0,0,0|1,0,0]=3 1808 B14R1.502 Cc1ccc(cc1)CCN(C)CCO 2230a_100000210263_100011713686 [1,1,0,0,0,0|1,0,1]=4 1809 B14R1.502 Cc1ccc(cc1)CCN(C)CCO 269982a_100000210263_100011713686 [1,1,0,0,0,0|1,0,1]=4 1810 B14R1.598 C#CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000184674 [1,1,0,0,0,0|2,0,0]=4 1811 B14R1.598 C#CCC(=O)CCc1ccccc1Br 1458a_100011220946_100012161201 [1,1,0,0,0,0|2,0,0]=4 1812 B14R1.598 C#CCC(=O)CCc1ccccc1C 1458a_100000748742_100000184674 [1,1,0,0,0,0|2,0,0]=4 1813 B14R1.598 C#CCC(=O)CCc1ccccc1C 1458a_100011220946_100011713688 [1,1,0,0,0,0|2,0,0]=4 1814 B14R1.598 C#CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000184674 [1,1,0,0,0,0|2,0,0]=4 1815 B14R1.598 C#CCC(=O)CCc1ccccc1Cl 1458a_100011220946_100011713703 [1,1,0,0,0,0|2,0,0]=4 1816 B14R1.598 C#CCC(=O)CCc1ccccc1F 1458a_100000189703_100000184674 [1,1,0,0,0,0|2,0,0]=4 1817 B14R1.598 C#CCC(=O)CCc1ccccc1F 1458a_100011220946_100000720011 [1,1,0,0,0,0|2,0,0]=4 1818 B14R1.598 C#CCC(=O)CCc1ccccc1I 1458a_100000037306_100000184674 [1,1,0,0,0,0|2,0,0]=4 1819 B14R1.598 C#CCC(=O)CCc1ccccc1O 1458a_100000181328_100000184674 [1,1,0,0,0,0|2,0,0]=4 1820 B14R1.598 C#CCC(=O)CCc1ccccc1O 1458a_100011220946_100000722297 [1,1,0,0,0,0|2,0,0]=4 1821 B14R1.598 C#CCC(C)OCc1ccccc1Br 34a_100000685586_100000184730 [1,1,0,0,0,0|2,0,0]=4 1822 B14R1.598 C#CCC(C)OCc1ccccc1Br 7a_100000685586_100000184730 [1,1,0,0,0,0|2,0,0]=4 1823 B14R1.598 C#CCC(C)OCc1ccccc1C 34a_100000685586_100000211839 [1,1,0,0,0,0|2,0,0]=4 1824 B14R1.598 C#CCC(C)OCc1ccccc1C 7a_100000685586_100000211839 [1,1,0,0,0,0|2,0,0]=4 1825 B14R1.598 C#CCC(C)OCc1ccccc1Cl 34a_100000685586_100000187162 [1,1,0,0,0,0|2,0,0]=4 1826 B14R1.598 C#CCC(C)OCc1ccccc1Cl 7a_100000685586_100000187162 [1,1,0,0,0,0|2,0,0]=4 1827 B14R1.598 C#CCC(C)OCc1ccccc1F 34a_100000685586_100000211605 [1,1,0,0,0,0|2,0,0]=4 1828 B14R1.598 C#CCC(C)OCc1ccccc1F 7a_100000685586_100000211605 [1,1,0,0,0,0|2,0,0]=4 1829 B14R1.598 C#CCC(C)OCc1ccccc1I 34a_100000685586_100011215278 [1,1,0,0,0,0|2,0,0]=4 1830 B14R1.598 C#CCC(C)OCc1ccccc1I 7a_100000685586_100011215278 [1,1,0,0,0,0|2,0,0]=4 1831 B14R1.598 C#CCN(C)CCc1ccccc1Br 2230a_100000225692_100012161201 [1,1,0,0,0,0|0,0,0]=2 1832 B14R1.598 C#CCN(C)CCc1ccccc1Br 34a_100000225692_100012161201 [1,1,0,0,0,0|0,0,0]=2 1833 B14R1.598 C#CCN(C)CCc1ccccc1C 2230a_100000225692_100011713688 [1,1,0,0,0,0|0,0,0]=2 1834 B14R1.598 C#CCN(C)CCc1ccccc1C 34a_100000225692_100011713688 [1,1,0,0,0,0|0,0,0]=2 1835 B14R1.598 C#CCN(C)CCc1ccccc1Cl 2230a_100000225692_100011713703 [1,1,0,0,0,0|0,0,0]=2 1836 B14R1.598 C#CCN(C)CCc1ccccc1Cl 270004a_100000225692_200011713468 [1,1,0,0,0,0|0,0,0]=2 1837 B14R1.598 C#CCN(C)CCc1ccccc1Cl 34a_100000225692_100011713703 [1,1,0,0,0,0|0,0,0]=2 1838 B14R1.598 C#CCN(C)CCc1ccccc1F 2230a_100000225692_100011713696 [1,1,0,0,0,0|0,0,0]=2 1839 B14R1.598 C#CCN(C)CCc1ccccc1F 2230a_100000232559_100000038162 [1,1,0,0,0,0|0,0,0]=2 1840 B14R1.598 C#CCN(C)CCc1ccccc1F 34a_100000225692_100000720011 [1,1,0,0,0,0|0,0,0]=2 1841 B14R1.598 C#CCN(C)CCc1ccccc1F 34a_100000232559_100000184674 [1,1,0,0,0,0|0,0,0]=2 1842 B14R1.598 C#CCN(C)CCc1ccccc1O 34a_100000225692_100000722297 [1,1,0,0,0,0|0,0,0]=2 1843 B14R1.598 C=CCN(C)CCc1ccccc1Br 2230a_100000225617_100012161201 [1,1,0,0,0,0|0,0,2]=4 1844 B14R1.598 C=CCN(C)CCc1ccccc1Br 269982a_100000225617_100012161201 [1,1,0,0,0,0|0,0,2]=4 1845 B14R1.598 C=CCN(C)CCc1ccccc1C 2230a_100000225617_100011713688 [1,1,0,0,0,0|0,0,2]=4 1846 B14R1.598 C=CCN(C)CCc1ccccc1C 269982a_100000225617_100011713688 [1,1,0,0,0,0|0,0,2]=4 1847 B14R1.598 C=CCN(C)CCc1ccccc1Cl 2230a_100000225617_100011713703 [1,1,0,0,0,0|0,0,2]=4 1848 B14R1.598 C=CCN(C)CCc1ccccc1Cl 269982a_100000225617_100011713703 [1,1,0,0,0,0|0,0,2]=4 1849 B14R1.598 C=CCN(C)CCc1ccccc1Cl 270004a_100000225617_200011713468 [1,1,0,0,0,0|0,0,2]=4 1850 B14R1.598 C=CCN(C)CCc1ccccc1F 2230a_100000225617_100011713696 [1,1,0,0,0,0|0,0,2]=4 1851 B14R1.598 C=CCN(C)CCc1ccccc1F 2230a_100000232559_100000210623 [1,1,0,0,0,0|0,0,2]=4 1852 B14R1.598 C=CCN(C)CCc1ccccc1F 269982a_100000225617_100011713696 [1,1,0,0,0,0|0,0,2]=4 1853 B14R1.598 C=CCN(C)CCc1ccccc1F 269982a_100000232559_100000210623 [1,1,0,0,0,0|0,0,2]=4 1854 B14R1.598 C=CCN(C)CCc1ccccc1F 34a_100000232559_100015514636 [1,1,0,0,0,0|0,0,2]=4 1855 B14R1.598 C=CCN(C)CCc1ccccc1O 269982a_100000225617_100000722297 [1,1,0,0,0,0|0,0,2]=4 1856 B14R1.598 CCCN(C)CCc1ccccc1Br 2230a_100000747261_100012161201 [1,1,0,0,0,0|0,0,2]=4 1857 B14R1.598 CCCN(C)CCc1ccccc1Br 269982a_100000747261_100012161201 [1,1,0,0,0,0|0,0,2]=4 1858 B14R1.598 CCCN(C)CCc1ccccc1C 2230a_100000747261_100011713688 [1,1,0,0,0,0|0,0,2]=4 1859 B14R1.598 CCCN(C)CCc1ccccc1C 269982a_100000747261_100011713688 [1,1,0,0,0,0|0,0,2]=4 1860 B14R1.598 CCCN(C)CCc1ccccc1Cl 2230a_100000747261_100011713703 [1,1,0,0,0,0|0,0,2]=4 1861 B14R1.598 CCCN(C)CCc1ccccc1Cl 269982a_100000747261_100011713703 [1,1,0,0,0,0|0,0,2]=4 1862 B14R1.598 CCCN(C)CCc1ccccc1Cl 270004a_100000747261_200011713468 [1,1,0,0,0,0|0,0,2]=4 1863 B14R1.598 CCCN(C)CCc1ccccc1F 2230a_100000232559_100000210303 [1,1,0,0,0,0|0,0,2]=4 1864 B14R1.598 CCCN(C)CCc1ccccc1F 2230a_100000747261_100011713696 [1,1,0,0,0,0|0,0,2]=4 1865 B14R1.598 CCCN(C)CCc1ccccc1F 269982a_100000232559_100000210303 [1,1,0,0,0,0|0,0,2]=4 1866 B14R1.598 CCCN(C)CCc1ccccc1F 269982a_100000747261_100011713696 [1,1,0,0,0,0|0,0,2]=4 1867 B14R1.598 CCCN(C)CCc1ccccc1F 34a_100000232559_100000210303 [1,1,0,0,0,0|0,0,2]=4 1868 B14R1.598 CCCN(C)CCc1ccccc1O 269982a_100000747261_100000722297 [1,1,0,0,0,0|0,0,2]=4 1869 B14R1.598 CN(CC#N)CCc1ccccc1Br 2230a_100000748184_100012161201 [1,1,0,0,0,0|1,0,0]=3 1870 B14R1.598 CN(CC#N)CCc1ccccc1Cl 2230a_100000748184_100011713703 [1,1,0,0,0,0|1,0,0]=3 1871 B14R1.598 CN(CC#N)CCc1ccccc1F 2230a_100000232559_100011215382 [1,1,0,0,0,0|1,0,0]=3 1872 B14R1.598 CN(CC#N)CCc1ccccc1F 2230a_100000748184_100011713696 [1,1,0,0,0,0|1,0,0]=3 1873 B14R1.598 CN(CC#N)CCc1ccccc1F 269982a_100000232559_100011214920 [1,1,0,0,0,0|1,0,0]=3 1874 B14R1.598 CN(CC=O)CCc1ccccc1F 2230a_100000232559_200015260668 [1,1,0,0,0,0|1,0,1]=4 1875 B14R1.598 CN(CC=O)CCc1ccccc1F 269982a_100000232559_200015260668 [1,1,0,0,0,0|1,0,1]=4 1876 B14R1.598 CN(CC=O)CCc1ccccc1F 34a_100000232559_200009817547 [1,1,0,0,0,0|1,0,1]=4 1877 B14R1.598 CN(CCF)CCc1ccccc1F 2230a_100000232559_100011217306 [1,1,0,0,0,0|1,0,1]=4 1878 B14R1.598 CN(CCF)CCc1ccccc1F 269982a_100000232559_100011217306 [1,1,0,0,0,0|1,0,1]=4 1879 B14R1.598 CN(CCF)CCc1ccccc1F 34a_100000232559_100011217306 [1,1,0,0,0,0|1,0,1]=4 1880 B14R1.598 CN(CCO)CCc1ccccc1Br 2230a_100000210263_100012161201 [1,1,0,0,0,0|1,0,1]=4 1881 B14R1.598 CN(CCO)CCc1ccccc1Br 269982a_100000210263_100012161201 [1,1,0,0,0,0|1,0,1]=4 1882 B14R1.598 CN(CCO)CCc1ccccc1Cl 2230a_100000210263_100011713703 [1,1,0,0,0,0|1,0,1]=4 1883 B14R1.598 CN(CCO)CCc1ccccc1Cl 269982a_100000210263_100011713703 [1,1,0,0,0,0|1,0,1]=4 1884 B14R1.598 CN(CCO)CCc1ccccc1Cl 270004a_100000210263_200011713468 [1,1,0,0,0,0|1,0,1]=4 1885 B14R1.598 CN(CCO)CCc1ccccc1F 2230a_100000210263_100011713696 [1,1,0,0,0,0|1,0,1]=4 1886 B14R1.598 CN(CCO)CCc1ccccc1F 2230a_100000232559_100000211926 [1,1,0,0,0,0|1,0,1]=4 1887 B14R1.598 CN(CCO)CCc1ccccc1F 269982a_100000210263_100011713696 [1,1,0,0,0,0|1,0,1]=4 1888 B14R1.598 CN(CCO)CCc1ccccc1F 269982a_100000232559_100000211926 [1,1,0,0,0,0|1,0,1]=4 1889 B14R1.598 CN(CCO)CCc1ccccc1F 34a_100000232559_100000211926 [1,1,0,0,0,0|1,0,1]=4 1890 B14R1.598 CN(CCO)CCc1ccccc1O 269982a_100000210263_100000722297 [1,1,0,0,0,0|1,0,1]=4 1891 B14R1.598 COCN(C)CCc1ccccc1F 2230a_100000232559_100000766300 [1,1,0,0,0,0|1,0,1]=4 1892 B14R1.598 COCN(C)CCc1ccccc1F 269982a_100000232559_100000766300 [1,1,0,0,0,0|1,0,1]=4 1893 B14R1.598 CSCN(C)CCc1ccccc1F 2230a_100000232559_100011218213 [1,1,0,0,0,0|1,0,1]=4 1894 B14R1.598 CSCN(C)CCc1ccccc1F 269982a_100000232559_100011218213 [1,1,0,0,0,0|1,0,1]=4 1895 B14R1.598 CSCN(C)CCc1ccccc1F 34a_100000232559_100011218213 [1,1,0,0,0,0|1,0,1]=4 1896 B14R1.598 Cc1ccccc1CCN(C)CC#N 2230a_100000748184_100011713688 [1,1,0,0,0,0|1,0,0]=3 1897 B14R1.598 Cc1ccccc1CCN(C)CCO 2230a_100000210263_100011713688 [1,1,0,0,0,0|1,0,1]=4 1898 B14R1.598 Cc1ccccc1CCN(C)CCO 269982a_100000210263_100011713688 [1,1,0,0,0,0|1,0,1]=4 1899 B14R1.756 C#CC(C)C(=O)CCc1ccccc1 1458a_100000185753_200000035995 [1,1,0,0,0,0|2,0,0]=4 1900 B14R1.756 C=CC(C)N(C)CCc1ccccc1 269982a_100000207497_100011215867 [1,1,0,0,0,0|0,0,2]=4 1901 B14R1.756 CC(C#N)N(C)CCc1ccccc1 2230a_100000207497_100000184139 [1,1,0,0,0,0|1,0,0]=3 1902 B14R1.756 CC(C#N)N(C)CCc1ccccc1 269982a_100000207497_100000703298 [1,1,0,0,0,0|1,0,0]=3 1903 B14R1.756 CC(C#N)N(C)CCc1ccccn1 2230a_100000737206_100000184139 [1,1,0,0,0,0|2,0,0]=4 1904 B14R1.756 CC(C#N)N(C)CCc1ccccn1 269982a_100000737206_100000703298 [1,1,0,0,0,0|2,0,0]=4 1905 B14R1.756 CC(C#N)N(C)CCc1cccnc1 2230a_100000763209_100000184139 [1,1,0,0,0,0|2,0,0]=4 1906 B14R1.756 CC(C#N)N(C)CCc1cccnc1 269982a_100000763209_100000703298 [1,1,0,0,0,0|2,0,0]=4 1907 B14R1.756 CC(C#N)N(C)CCc1ccncc1 2230a_100000742850_100000184139 [1,1,0,0,0,0|2,0,0]=4 1908 B14R1.756 CC(C#N)N(C)CCc1ccncc1 269982a_100000742850_100000703298 [1,1,0,0,0,0|2,0,0]=4 1909 B14R1.756 CC(CO)N(C)CCc1ccccc1 2230a_100000207497_100012180447 [1,1,0,0,0,0|1,0,1]=4 1910 B14R1.756 CC(CO)N(C)CCc1ccccc1 2230a_100000693034_100000765856 [1,1,0,0,0,0|1,0,1]=4 1911 B14R1.756 CC(CO)N(C)CCc1ccccc1 269982a_100000693034_100000765856 [1,1,0,0,0,0|1,0,1]=4 1912 B14R1.756 CCC(C)N(C)CCc1ccccc1 2230a_100000207497_100000758301 [1,1,0,0,0,0|0,0,2]=4 1913 B14R1.756 CCC(C)N(C)CCc1ccccc1 2230a_100000741768_100000765856 [1,1,0,0,0,0|0,0,2]=4 1914 B14R1.756 CCC(C)N(C)CCc1ccccc1 269982a_100000207497_100000758301 [1,1,0,0,0,0|0,0,2]=4 1915 B14R1.756 CCC(C)N(C)CCc1ccccc1 269982a_100000741768_100000765856 [1,1,0,0,0,0|0,0,2]=4 1916 B14R1.756 COC(C)N(C)CCc1ccccc1 269982a_100000207497_100009879195 [1,1,0,0,0,0|1,0,1]=4 1917 B14R1.756 C[C@H](CO)N(C)CCc1ccccc1 269982a_100000207497_100016084084 [1,1,0,0,0,0|1,0,1]=4 1918 B14R1.818 C=C(C)CN(C)CCc1ccccc1 2230a_100000207497_100000748629 [1,1,0,0,0,0|0,0,2]=4 1919 B14R1.818 C=C(C)CN(C)CCc1ccccc1 2230a_100000225649_100000765856 [1,1,0,0,0,0|0,0,2]=4 1920 B14R1.818 C=C(C)CN(C)CCc1ccccc1 269982a_100000207497_100000748629 [1,1,0,0,0,0|0,0,2]=4 1921 B14R1.818 C=C(C)CN(C)CCc1ccccc1 269982a_100000225649_100000765856 [1,1,0,0,0,0|0,0,2]=4 1922 B14R1.818 C=C(F)CN(C)CCc1ccccc1 2230a_100000207497_100009893438 [1,1,0,0,0,0|0,0,2]=4 1923 B14R1.818 C=C(F)CN(C)CCc1ccccc1 269982a_100000207497_100009893438 [1,1,0,0,0,0|0,0,2]=4 1924 B14R1.818 CC(C)CN(C)CCc1ccccc1 2230a_100000200391_200000210301 [1,1,0,0,0,0|0,0,2]=4 1925 B14R1.818 CC(C)CN(C)CCc1ccccc1 2230a_100000207497_100000210760 [1,1,0,0,0,0|0,0,2]=4 1926 B14R1.818 CC(C)CN(C)CCc1ccccc1 2230a_100000747067_100000765856 [1,1,0,0,0,0|0,0,2]=4 1927 B14R1.818 CC(C)CN(C)CCc1ccccc1 269982a_100000200391_200000210301 [1,1,0,0,0,0|0,0,2]=4 1928 B14R1.818 CC(C)CN(C)CCc1ccccc1 269982a_100000207497_100000210624 [1,1,0,0,0,0|0,0,2]=4 1929 B14R1.818 CC(C)CN(C)CCc1ccccc1 269982a_100000747067_100000765856 [1,1,0,0,0,0|0,0,2]=4 1930 B14R1.818 CC(C)CN(C)CCc1ccccc1 270004a_100000207497_100000210432 [1,1,0,0,0,0|0,0,2]=4 1931 B14R1.818 CC(C)CN(C)CCc1ccccc1 34a_100000200391_200000210301 [1,1,0,0,0,0|0,0,2]=4 1932 B14R1.818 CC(C)CN([13CH3])CCc1ccccc1 2230a_100000200391_200025704644 [1,1,0,0,0,0|0,0,2]=4 1933 B14R1.818 CC(C)CN([13CH3])CCc1ccccc1 269982a_100000200391_200025704644 [1,1,0,0,0,0|0,0,2]=4 1934 B14R1.818 CC(C)CN([13CH3])CCc1ccccc1 34a_100000200391_200025704644 [1,1,0,0,0,0|0,0,2]=4 1935 B14R1.818 CC(O)CN(C)CCc1ccccc1 2230a_100000207497_100011218427 [1,1,0,0,0,0|0,0,2]=4 1936 B14R1.818 CC(O)CN(C)CCc1ccccc1 2230a_100000227577_100000765856 [1,1,0,0,0,0|0,0,2]=4 1937 B14R1.818 CC(O)CN(C)CCc1ccccc1 269982a_100000207497_100011218427 [1,1,0,0,0,0|0,0,2]=4 1938 B14R1.818 CC(O)CN(C)CCc1ccccc1 269982a_100000227577_100000765856 [1,1,0,0,0,0|0,0,2]=4 1939 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000207497_100000747473 [1,1,0,0,0,0|1,0,1]=4 1940 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000739694_100000765856 [1,1,0,0,0,0|1,0,1]=4 1941 B14R1.818 CN(CCc1ccccc1)CC(=O)N 269982a_100000207497_100000187820 [1,1,0,0,0,0|1,0,1]=4 1942 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [1,1,0,0,0,0|1,0,1]=4 1943 B14R1.818 CN(CCc1ccccc1)CC(=O)[O-] 269982a_100000207497_100020667443 [1,1,0,0,0,0|1,0,1]=4 1944 B14R1.818 CN(CCc1ccccc1)CC(F)F 2230a_100000207497_100011934356 [1,1,0,0,0,0|1,0,1]=4 1945 B14R1.818 CN(CCc1ccccc1)CC(F)F 269982a_100000207497_100011934356 [1,1,0,0,0,0|1,0,1]=4 1946 B14R1.818 CN(CCc1ccccc1)C[N+](=O)[O-] 269982a_100000207497_100000761209 [1,1,0,0,0,0|2,0,0]=4 1947 B14R1.818 C[C@@H](O)CN(C)CCc1ccccc1 2230a_100000207497_100009817552 [1,1,0,0,0,0|0,0,2]=4 1948 B14R1.818 C[C@@H](O)CN(C)CCc1ccccc1 269982a_100000207497_100009817552 [1,1,0,0,0,0|0,0,2]=4 1949 B14R1.979 C#CCC(CC)OCc1ccccc1 34a_200011217983_100015291786 [1,1,0,0,0,0|2,0,0]=4 1950 B14R1.979 C#CCC(CC)OCc1ccccc1 7a_200011217983_100000211182 [1,1,0,0,0,0|2,0,0]=4 1951 B14R1.979 C#CCN(CC)CCc1ccccc1 2230a_100000741020_100000038162 [1,1,0,0,0,0|0,0,0]=2 1952 B14R1.979 C#CCN(CC)CCc1ccccc1 2230a_100000744766_100000765856 [1,1,0,0,0,0|0,0,0]=2 1953 B14R1.979 C#CCN(CC)CCc1ccccc1 269982a_100000744766_100000765856 [1,1,0,0,0,0|0,0,0]=2 1954 B14R1.979 C#CCN(CC)CCc1ccccn1 2230a_100000227201_100000038162 [1,1,0,0,0,0|1,0,0]=3 1955 B14R1.979 C#CCN(CC)CCc1ccccn1 2230a_100000744766_100015183660 [1,1,0,0,0,0|1,0,0]=3 1956 B14R1.979 C#CCN(CC)CCc1ccccn1 269982a_100000744766_100015183660 [1,1,0,0,0,0|1,0,0]=3 1957 B14R1.979 C#CCN(CC)CCc1cccnc1 2230a_100000744766_200011713674 [1,1,0,0,0,0|1,0,0]=3 1958 B14R1.979 C#CCN(CC)CCc1cccnc1 269982a_100000744766_200011713674 [1,1,0,0,0,0|1,0,0]=3 1959 B14R1.979 C#CCN(CC)CCc1ccncc1 2230a_100000744766_100000723409 [1,1,0,0,0,0|1,0,0]=3 1960 B14R1.979 C#CCN(CC)CCc1ccncc1 269982a_100000744766_100000723409 [1,1,0,0,0,0|1,0,0]=3 1961 B14R1.979 C#CCN(CC)CSc1ccccc1 2230a_100000744766_100011218342 [1,1,0,0,0,0|1,0,0]=3 1962 B14R1.979 C#CCN(CC)CSc1ccccc1 269982a_100000744766_100011218342 [1,1,0,0,0,0|1,0,0]=3 1963 B14R1.979 C=CCN(CC)CCc1ccccc1 2230a_100000741020_100000210623 [1,1,0,0,0,0|0,0,2]=4 1964 B14R1.979 C=CCN(CC)CCc1ccccc1 269982a_100000741020_100000210623 [1,1,0,0,0,0|0,0,2]=4 1965 B14R1.979 CCCN(CC)CCc1ccccc1 2230a_100000226822_100000765856 [1,1,0,0,0,0|0,0,2]=4 1966 B14R1.979 CCCN(CC)CCc1ccccc1 2230a_100000741020_100000210303 [1,1,0,0,0,0|0,0,2]=4 1967 B14R1.979 CCCN(CC)CCc1ccccc1 269982a_100000226822_100000765856 [1,1,0,0,0,0|0,0,2]=4 1968 B14R1.979 CCCN(CC)CCc1ccccc1 269982a_100000741020_100000210303 [1,1,0,0,0,0|0,0,2]=4 1969 B14R1.979 CCN(CC#N)CCc1ccccc1 2230a_100000741020_100011215382 [1,1,0,0,0,0|1,0,0]=3 1970 B14R1.979 CCN(CC#N)CCc1ccccc1 269982a_100000741020_100011214920 [1,1,0,0,0,0|1,0,0]=3 1971 B14R1.979 CCN(CC#N)CCc1ccccn1 2230a_100000227201_100011215382 [1,1,0,0,0,0|2,0,0]=4 1972 B14R1.979 CCN(CC#N)CCc1ccccn1 269982a_100000227201_100011214920 [1,1,0,0,0,0|2,0,0]=4 1973 B14R1.979 CCN(CC=O)CCc1ccccc1 2230a_100000741020_200015260668 [1,1,0,0,0,0|1,0,1]=4 1974 B14R1.979 CCN(CC=O)CCc1ccccc1 269982a_100000741020_200015260668 [1,1,0,0,0,0|1,0,1]=4 1975 B14R1.979 CCN(CCF)CCc1ccccc1 2230a_100000741020_100011217306 [1,1,0,0,0,0|1,0,1]=4 1976 B14R1.979 CCN(CCF)CCc1ccccc1 269982a_100000741020_100011217306 [1,1,0,0,0,0|1,0,1]=4 1977 B14R1.979 CCN(CCO)CCc1ccccc1 2230a_100000210973_100000765856 [1,1,0,0,0,0|1,0,1]=4 1978 B14R1.979 CCN(CCO)CCc1ccccc1 2230a_100000741020_100000211926 [1,1,0,0,0,0|1,0,1]=4 1979 B14R1.979 CCN(CCO)CCc1ccccc1 269982a_100000210973_100000765856 [1,1,0,0,0,0|1,0,1]=4 1980 B14R1.979 CCN(CCO)CCc1ccccc1 269982a_100000741020_100000211926 [1,1,0,0,0,0|1,0,1]=4 1981 B14R1.979 CCN(CCc1ccccc1)COC 2230a_100000741020_100000766300 [1,1,0,0,0,0|1,0,1]=4 1982 B14R1.979 CCN(CCc1ccccc1)COC 269982a_100000741020_100000766300 [1,1,0,0,0,0|1,0,1]=4 1983 B14R1.979 CCN(CCc1ccccc1)CSC 2230a_100000741020_100011218213 [1,1,0,0,0,0|1,0,1]=4 1984 B14R1.979 CCN(CCc1ccccc1)CSC 269982a_100000741020_100011218213 [1,1,0,0,0,0|1,0,1]=4 1985 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000688953 [1,1,0,0,0,0|2,0,0]=4 1986 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000730999 [1,1,0,0,0,0|2,0,0]=4 1987 B14R1.33 C#CCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000688953 [1,1,0,0,0,0|2,0,0]=4 1988 B14R1.33 C#CCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000730999 [1,1,0,0,0,0|2,0,0]=4 1989 B14R1.33 C#CCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000688953 [1,1,0,0,0,0|2,0,0]=4 1990 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000688953 [1,1,0,0,0,0|2,0,0]=4 1991 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000730999 [1,1,0,0,0,0|2,0,0]=4 1992 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000688953 [1,1,0,0,0,0|2,0,0]=4 1993 B14R1.33 C#CCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000688953 [1,1,0,0,0,0|2,0,0]=4 1994 B14R1.33 C#CCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000730999 [1,1,0,0,0,0|2,0,0]=4 1995 B14R1.33 C#CCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000688953 [1,1,0,0,0,0|2,0,0]=4 1996 B14R1.33 C#CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000688953 [1,1,0,0,0,0|2,0,0]=4 1997 B14R1.33 C#CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000730999 [1,1,0,0,0,0|2,0,0]=4 1998 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)Br 11a_100000212058_100000198978 [1,1,0,0,0,0|1,0,1]=4 1999 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)Br 240690a_100000212058_100000198978 [1,1,0,0,0,0|1,0,1]=4 2000 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)Br 527a_100000212058_100000198978 [1,1,0,0,0,0|1,0,1]=4 2001 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)C 11a_100000212058_100000212244 [1,1,0,0,0,0|1,0,1]=4 2002 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)C 240690a_100000212058_100000212244 [1,1,0,0,0,0|1,0,1]=4 2003 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)C 527a_100000212058_100000212244 [1,1,0,0,0,0|1,0,1]=4 2004 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)Cl 11a_100000212058_100000211027 [1,1,0,0,0,0|1,0,1]=4 2005 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)Cl 240690a_100000212058_100000211027 [1,1,0,0,0,0|1,0,1]=4 2006 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)Cl 527a_100000212058_100000211027 [1,1,0,0,0,0|1,0,1]=4 2007 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)F 11a_100000212058_100000210951 [1,1,0,0,0,0|1,0,1]=4 2008 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)F 1626a_100000212058_100000210951 [1,1,0,0,0,0|1,0,1]=4 2009 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)F 240690a_100000212058_100000210951 [1,1,0,0,0,0|1,0,1]=4 2010 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)F 527a_100000212058_100000210951 [1,1,0,0,0,0|1,0,1]=4 2011 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)I 11a_100000212058_100000688869 [1,1,0,0,0,0|1,0,1]=4 2012 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)I 1626a_100000212058_100000688869 [1,1,0,0,0,0|1,0,1]=4 2013 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)I 240690a_100000212058_100000688869 [1,1,0,0,0,0|1,0,1]=4 2014 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)I 527a_100000212058_100000688869 [1,1,0,0,0,0|1,0,1]=4 2015 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)O 1626a_100000212058_100000198540 [1,1,0,0,0,0|1,0,1]=4 2016 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)O 240690a_100000212058_100000198540 [1,1,0,0,0,0|1,0,1]=4 2017 B14R1.33 C#CCNC(=O)Cc1ccc(cc1)O 527a_100000212058_100000198540 [1,1,0,0,0,0|1,0,1]=4 2018 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000038162 [1,1,0,0,0,0|0,0,0]=2 2019 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000184674 [1,1,0,0,0,0|0,0,0]=2 2020 B14R1.33 C#CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000184674 [1,1,0,0,0,0|1,0,0]=3 2021 B14R1.33 C#CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000038162 [1,1,0,0,0,0|1,0,0]=3 2022 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Br 270004a_100020586998_100000691760 [1,1,0,0,0,0|0,0,2]=4 2023 B14R1.33 C=CCNC(C)Cc1ccc(cc1)C 270004a_100020586998_100000751045 [1,1,0,0,0,0|0,0,2]=4 2024 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Cl 270004a_100020586998_100000747806 [1,1,0,0,0,0|0,0,2]=4 2025 B14R1.33 C=CCNC(C)Cc1ccc(cc1)F 270004a_100020586998_100000745281 [1,1,0,0,0,0|0,0,2]=4 2026 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210623 [1,1,0,0,0,0|0,0,2]=4 2027 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 270004a_100020586998_100011218180 [1,1,0,0,0,0|0,0,2]=4 2028 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100015514636 [1,1,0,0,0,0|0,0,2]=4 2029 B14R1.33 CC(Cc1ccc(cc1)Br)NCCO 270004a_100000210304_100000691760 [1,1,0,0,0,0|1,0,1]=4 2030 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCO 270004a_100000210304_100000747806 [1,1,0,0,0,0|1,0,1]=4 2031 B14R1.33 CC(Cc1ccc(cc1)F)NCCO 270004a_100000210304_100000745281 [1,1,0,0,0,0|1,0,1]=4 2032 B14R1.33 CC(Cc1ccc(cc1)F)OCC#N 7a_100011351027_100011215382 [1,1,0,0,0,0|2,0,0]=4 2033 B14R1.33 CC(Cc1ccc(cc1)O)NCC#N 2230a_100102634573_100011215382 [1,1,0,0,0,0|1,0,0]=3 2034 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 2230a_100102634573_200015260668 [1,1,0,0,0,0|1,0,1]=4 2035 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 34a_100102634573_200009817547 [1,1,0,0,0,0|1,0,1]=4 2036 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 2230a_100102634573_100011217306 [1,1,0,0,0,0|1,0,1]=4 2037 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 34a_100102634573_100011217306 [1,1,0,0,0,0|1,0,1]=4 2038 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 2230a_100102634573_100000211926 [1,1,0,0,0,0|1,0,1]=4 2039 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 270004a_100000210304_100011218180 [1,1,0,0,0,0|1,0,1]=4 2040 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 34a_100102634573_100000211926 [1,1,0,0,0,0|1,0,1]=4 2041 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br 270004a_100020643023_100000691760 [1,1,0,0,0,0|0,0,2]=4 2042 B14R1.33 CCCNC(C)Cc1ccc(cc1)C 270004a_100020643023_100000751045 [1,1,0,0,0,0|0,0,2]=4 2043 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl 270004a_100020643023_100000747806 [1,1,0,0,0,0|0,0,2]=4 2044 B14R1.33 CCCNC(C)Cc1ccc(cc1)F 270004a_100020643023_100000745281 [1,1,0,0,0,0|0,0,2]=4 2045 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210303 [1,1,0,0,0,0|0,0,2]=4 2046 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 270004a_100020643023_100011218180 [1,1,0,0,0,0|0,0,2]=4 2047 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210303 [1,1,0,0,0,0|0,0,2]=4 2048 B14R1.33 COCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000766300 [1,1,0,0,0,0|1,0,1]=4 2049 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011218213 [1,1,0,0,0,0|1,0,1]=4 2050 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011218213 [1,1,0,0,0,0|1,0,1]=4 2051 B14R1.33 Cc1ccc(cc1)CC(C)NCCO 270004a_100000210304_100000751045 [1,1,0,0,0,0|1,0,1]=4 2052 B14R1.34 C#CCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000688953 [1,1,0,0,0,0|2,0,0]=4 2053 B14R1.34 C#CCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000730999 [1,1,0,0,0,0|2,0,0]=4 2054 B14R1.34 C#CCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000688953 [1,1,0,0,0,0|2,0,0]=4 2055 B14R1.34 C#CCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000730999 [1,1,0,0,0,0|2,0,0]=4 2056 B14R1.34 C#CCCN(C)Cc1cccc(c1)C 34a_102495364743_100000688953 [1,1,0,0,0,0|2,0,0]=4 2057 B14R1.34 C#CCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000688953 [1,1,0,0,0,0|2,0,0]=4 2058 B14R1.34 C#CCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000730999 [1,1,0,0,0,0|2,0,0]=4 2059 B14R1.34 C#CCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000688953 [1,1,0,0,0,0|2,0,0]=4 2060 B14R1.34 C#CCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000730999 [1,1,0,0,0,0|2,0,0]=4 2061 B14R1.34 C#CCCN(C)Cc1cccc(c1)F 34a_100000184398_100000688953 [1,1,0,0,0,0|2,0,0]=4 2062 B14R1.34 C#CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000688953 [1,1,0,0,0,0|2,0,0]=4 2063 B14R1.34 C#CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000730999 [1,1,0,0,0,0|2,0,0]=4 2064 B14R1.34 C#CCNC(=O)Cc1cccc(c1)Br 11a_100000212058_100000747190 [1,1,0,0,0,0|1,0,1]=4 2065 B14R1.34 C#CCNC(=O)Cc1cccc(c1)Br 240690a_100000212058_100000747190 [1,1,0,0,0,0|1,0,1]=4 2066 B14R1.34 C#CCNC(=O)Cc1cccc(c1)Br 527a_100000212058_100000747190 [1,1,0,0,0,0|1,0,1]=4 2067 B14R1.34 C#CCNC(=O)Cc1cccc(c1)C 11a_100000212058_100011206899 [1,1,0,0,0,0|1,0,1]=4 2068 B14R1.34 C#CCNC(=O)Cc1cccc(c1)C 1626a_100000212058_100011206899 [1,1,0,0,0,0|1,0,1]=4 2069 B14R1.34 C#CCNC(=O)Cc1cccc(c1)C 240690a_100000212058_100011206899 [1,1,0,0,0,0|1,0,1]=4 2070 B14R1.34 C#CCNC(=O)Cc1cccc(c1)C 527a_100000212058_100011206899 [1,1,0,0,0,0|1,0,1]=4 2071 B14R1.34 C#CCNC(=O)Cc1cccc(c1)Cl 11a_100000212058_100000749307 [1,1,0,0,0,0|1,0,1]=4 2072 B14R1.34 C#CCNC(=O)Cc1cccc(c1)Cl 1626a_100000212058_100000749307 [1,1,0,0,0,0|1,0,1]=4 2073 B14R1.34 C#CCNC(=O)Cc1cccc(c1)Cl 240690a_100000212058_100000749307 [1,1,0,0,0,0|1,0,1]=4 2074 B14R1.34 C#CCNC(=O)Cc1cccc(c1)Cl 527a_100000212058_100000749307 [1,1,0,0,0,0|1,0,1]=4 2075 B14R1.34 C#CCNC(=O)Cc1cccc(c1)F 11a_100000212058_100000211661 [1,1,0,0,0,0|1,0,1]=4 2076 B14R1.34 C#CCNC(=O)Cc1cccc(c1)F 1626a_100000212058_100000211661 [1,1,0,0,0,0|1,0,1]=4 2077 B14R1.34 C#CCNC(=O)Cc1cccc(c1)F 240690a_100000212058_100000211661 [1,1,0,0,0,0|1,0,1]=4 2078 B14R1.34 C#CCNC(=O)Cc1cccc(c1)F 527a_100000212058_100000211661 [1,1,0,0,0,0|1,0,1]=4 2079 B14R1.34 C#CCNC(=O)Cc1cccc(c1)I 11a_100000212058_100000238430 [1,1,0,0,0,0|1,0,1]=4 2080 B14R1.34 C#CCNC(=O)Cc1cccc(c1)I 1626a_100000212058_100000238430 [1,1,0,0,0,0|1,0,1]=4 2081 B14R1.34 C#CCNC(=O)Cc1cccc(c1)I 240690a_100000212058_100000238430 [1,1,0,0,0,0|1,0,1]=4 2082 B14R1.34 C#CCNC(=O)Cc1cccc(c1)I 527a_100000212058_100000238430 [1,1,0,0,0,0|1,0,1]=4 2083 B14R1.34 C#CCNC(=O)Cc1cccc(c1)O 240690a_100000212058_100000745134 [1,1,0,0,0,0|1,0,1]=4 2084 B14R1.34 C#CCNC(=O)Cc1cccc(c1)O 527a_100000212058_100000745134 [1,1,0,0,0,0|1,0,1]=4 2085 B14R1.34 C#CCOC(C)Cc1cccc(n1)C 34a_200015421231_100000184674 [1,1,0,0,0,0|2,0,0]=4 2086 B14R1.34 C=CCNC(C)Cc1cccc(c1)Br 270004a_100020586998_100000689217 [1,1,0,0,0,0|0,0,2]=4 2087 B14R1.34 C=CCNC(C)Cc1cccc(c1)Cl 270004a_100020586998_100000727212 [1,1,0,0,0,0|0,0,2]=4 2088 B14R1.34 C=CCNC(C)Cc1cccc(c1)F 270004a_100020586998_100000687711 [1,1,0,0,0,0|0,0,2]=4 2089 B14R1.34 CC(Cc1cccc(c1)Br)NCCO 270004a_100000210304_100000689217 [1,1,0,0,0,0|1,0,1]=4 2090 B14R1.34 CC(Cc1cccc(c1)Cl)NCCO 270004a_100000210304_100000727212 [1,1,0,0,0,0|1,0,1]=4 2091 B14R1.34 CC(Cc1cccc(c1)F)NCCO 270004a_100000210304_100000687711 [1,1,0,0,0,0|1,0,1]=4 2092 B14R1.34 CCCNC(C)Cc1cccc(c1)Br 270004a_100020643023_100000689217 [1,1,0,0,0,0|0,0,2]=4 2093 B14R1.34 CCCNC(C)Cc1cccc(c1)Cl 270004a_100020643023_100000727212 [1,1,0,0,0,0|0,0,2]=4 2094 B14R1.34 CCCNC(C)Cc1cccc(c1)F 270004a_100020643023_100000687711 [1,1,0,0,0,0|0,0,2]=4 2095 B14R1.158 C#CCCCN(C)Cc1ccccc1 2230a_100000186898_100000731252 [1,1,0,0,0,0|2,0,0]=4 2096 B14R1.158 C#CCCCN(C)Cc1ccccc1 269982a_100000186898_100011215417 [1,1,0,0,0,0|2,0,0]=4 2097 B14R1.158 C#CCCNC(C)Cc1ccccc1 34a_100000755551_200011218536 [1,1,0,0,0,0|0,0,0]=2 2098 B14R1.158 C#CCCNC(C)Cc1ccccn1 2230a_100000238496_100000688953 [1,1,0,0,0,0|1,0,0]=3 2099 B14R1.158 C#CCCNC(C)Cc1cccnc1 2230a_100011207255_100000688953 [1,1,0,0,0,0|1,0,0]=3 2100 B14R1.158 C#CCCNC(C)Cc1cnccn1 2230a_100011277835_100000688953 [1,1,0,0,0,0|2,0,0]=4 2101 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100000748627_100000688953 [1,1,0,0,0,0|1,0,0]=3 2102 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100011215631_200011218536 [1,1,0,0,0,0|1,0,0]=3 2103 B14R1.158 C#CCCOC(C)Cc1ccccc1 7a_100000748627_100000688953 [1,1,0,0,0,0|1,0,0]=3 2104 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_100000688953_200011218536 [1,1,0,0,0,0|1,0,0]=3 2105 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_200011218536_100000688953 [1,1,0,0,0,0|1,0,0]=3 2106 B14R1.158 C#CCNCC(C)Oc1ccccc1 2230a_100000755676_100000038162 [1,1,0,0,0,0|1,0,0]=3 2107 B14R1.158 C#CCNCC(C)Oc1ccccc1 34a_100000755676_100000184674 [1,1,0,0,0,0|1,0,0]=3 2108 B14R1.158 C#CCNCC(C)Oc1cccnc1 2230a_200011219418_100000038162 [1,1,0,0,0,0|2,0,0]=4 2109 B14R1.158 C#CCNCC(O)Cc1ccccc1 2230a_100000752270_100000038162 [1,1,0,0,0,0|1,0,0]=3 2110 B14R1.158 C#CCNC[C@@H](O)Cc1ccccc1 34a_100000212058_100000729385 [1,1,0,0,0,0|1,0,0]=3 2111 B14R1.158 C#CCOCC(C)Cc1ccccc1 34a_100012125295_100000184674 [1,1,0,0,0,0|1,0,0]=3 2112 B14R1.158 C#CCOCC(C)Cc1ccccc1 7a_100012125295_100000038162 [1,1,0,0,0,0|1,0,0]=3 2113 B14R1.158 C#CCOCC(C)Oc1ccccc1 34a_200000036796_100000184674 [1,1,0,0,0,0|2,0,0]=4 2114 B14R1.158 C#CCOCC(C)Oc1ccccc1 7a_200000036796_100000038162 [1,1,0,0,0,0|2,0,0]=4 2115 B14R1.158 C#CCOCC(N)Cc1ccccc1 34a_100000739027_100000184674 [1,1,0,0,0,0|2,0,0]=4 2116 B14R1.158 C#CCOC[C@@H](O)Cc1ccccc1 34a_100000210247_100000729385 [1,1,0,0,0,0|2,0,0]=4 2117 B14R1.158 C#CCSC[C@@H](O)Cc1ccccc1 62a_100000038162_100000729385 [1,1,0,0,0,0|2,0,0]=4 2118 B14R1.158 CC#CCNC(C)Cc1ccccc1 34a_100000685387_200011218536 [1,1,0,0,0,0|0,0,0]=2 2119 B14R1.158 CC#CCNC(C)Cc1ccccn1 2230a_100000238496_100000748600 [1,1,0,0,0,0|1,0,0]=3 2120 B14R1.158 CC#CCNC(C)Cc1cccnc1 2230a_100011207255_100000748600 [1,1,0,0,0,0|1,0,0]=3 2121 B14R1.158 CC#CCNC(C)Cc1cnccn1 2230a_100011277835_100000748600 [1,1,0,0,0,0|2,0,0]=4 2122 B14R1.158 CC#CCOC(C)Cc1ccccc1 34a_100000748627_100000748600 [1,1,0,0,0,0|1,0,0]=3 2123 B14R1.158 CC#CCOC(C)Cc1ccccc1 34a_100000761923_200011218536 [1,1,0,0,0,0|1,0,0]=3 2124 B14R1.158 CC#CCOC(C)Cc1ccccc1 7a_100000748627_100000748600 [1,1,0,0,0,0|1,0,0]=3 2125 B14R1.158 CC#CCSC(C)Cc1ccccc1 62a_100000748600_200011218536 [1,1,0,0,0,0|1,0,0]=3 2126 B14R1.158 CC#CCSC(C)Cc1ccccc1 62a_200011218536_100000748600 [1,1,0,0,0,0|1,0,0]=3 2127 B14R1.158 CC(CNCC#N)Oc1ccccc1 2230a_100000755676_100011215382 [1,1,0,0,0,0|2,0,0]=4 2128 B14R1.158 CC(COCC#N)Cc1ccccc1 7a_100012125295_100011215382 [1,1,0,0,0,0|2,0,0]=4 2129 B14R1.158 CC(C[n+]1ccccc1)NCCC#N 270004a_100000720768_100000034229 [1,1,0,0,0,0|1,0,1]=4 2130 B14R1.158 CC(Cc1ccccc1)NCCCF 34a_100015189416_200011218536 [1,1,0,0,0,0|0,0,2]=4 2131 B14R1.158 CC(Cc1ccccc1)OCCC#N 7a_100000748627_100000184422 [1,1,0,0,0,0|1,0,1]=4 2132 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_100011215226_200011218536 [1,1,0,0,0,0|1,0,1]=4 2133 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_200011218536_100011215226 [1,1,0,0,0,0|1,0,1]=4 2134 B14R1.158 CC(Cc1ccccc1)SCSC#N 62a_100000211825_200011218536 [1,1,0,0,0,0|2,0,0]=4 2135 B14R1.158 CC(Cc1ccccc1)SCSC#N 62a_200011218536_100000211825 [1,1,0,0,0,0|2,0,0]=4 2136 B14R1.158 CC(Cc1ccccn1)NCCC#N 2230a_100000238496_100011215226 [1,1,0,0,0,0|1,0,1]=4 2137 B14R1.158 CC(Cc1cccnc1)NCCC#N 2230a_100011207255_100011215226 [1,1,0,0,0,0|1,0,1]=4 2138 B14R1.158 CC(Cc1cccnc1)NCCC#N 270004a_100000720768_100015187140 [1,1,0,0,0,0|1,0,1]=4 2139 B14R1.158 CC(Cc1ccncc1)NCCC#N 270004a_100000720768_100000238508 [1,1,0,0,0,0|1,0,1]=4 2140 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [1,1,0,0,0,0|0,0,2]=4 2141 B14R1.158 N#CCNCC(O)Cc1ccccc1 2230a_100000752270_100011215382 [1,1,0,0,0,0|2,0,0]=4 2142 B14R1.166 C#CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000688953 [1,1,0,0,0,0|2,0,0]=4 2143 B14R1.166 C#CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000730999 [1,1,0,0,0,0|2,0,0]=4 2144 B14R1.166 C#CCNC(=O)C(F)c1ccccc1 11a_100000212058_100000698975 [1,1,0,0,0,0|1,0,1]=4 2145 B14R1.166 C#CCNC(=O)C(F)c1ccccc1 1626a_100000212058_100000698975 [1,1,0,0,0,0|1,0,1]=4 2146 B14R1.166 C#CCNC(=O)C(F)c1ccccc1 240690a_100000212058_100000698975 [1,1,0,0,0,0|1,0,1]=4 2147 B14R1.166 C#CCNC(=O)C(F)c1ccccc1 527a_100000212058_100000698975 [1,1,0,0,0,0|1,0,1]=4 2148 B14R1.166 C#CCNC(=O)[C@@H](C)c1ccccc1 11a_100000212058_100000751047 [1,1,0,0,0,0|1,0,1]=4 2149 B14R1.166 C#CCNC(=O)[C@@H](C)c1ccccc1 1626a_100000212058_100000751047 [1,1,0,0,0,0|1,0,1]=4 2150 B14R1.166 C#CCNC(=O)[C@@H](C)c1ccccc1 240690a_100000212058_100000751047 [1,1,0,0,0,0|1,0,1]=4 2151 B14R1.166 C#CCNC(=O)[C@@H](C)c1ccccc1 527a_100000212058_100000751047 [1,1,0,0,0,0|1,0,1]=4 2152 B14R1.166 C#CCNC(=O)[C@H](O)c1ccccc1 240690a_100000212058_100000684486 [1,1,0,0,0,0|1,0,1]=4 2153 B14R1.166 C#CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000184674 [1,1,0,0,0,0|1,0,0]=3 2154 B14R1.166 C#CCSC(C)C(=O)c1ccccc1 62a_100000038162_100000239700 [1,1,0,0,0,0|1,0,1]=4 2155 B14R1.423 CC(C)CNC(C)Cc1ccccc1 34a_100000210953_200011218536 [1,1,0,0,0,0|0,0,2]=4 2156 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [1,1,0,0,0,0|1,0,1]=4 2157 B14R1.423 CC(Cc1ccccc1)NCC(F)F 34a_100000765723_200011218536 [1,1,0,0,0,0|1,0,1]=4 2158 B14R1.423 CC(O)CNC(C)Cc1ccccc1 34a_100000210904_200011218536 [1,1,0,0,0,0|0,0,2]=4 2159 B14R1.467 C#CCCN(CC)Cc1ccccc1 2230a_100000186914_100000688953 [1,1,0,0,0,0|2,0,0]=4 2160 B14R1.467 C#CCCN(CC)Cc1ccccc1 269982a_100000186914_100000730999 [1,1,0,0,0,0|2,0,0]=4 2161 B14R1.467 C#CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000038162 [1,1,0,0,0,0|0,0,1]=3 2162 B14R1.467 C#CCNC(CO)Cc1ccccc1 2230a_100000739027_100000038162 [1,1,0,0,0,0|0,0,0]=2 2163 B14R1.467 C#CCNC(CO)Cc1cccnc1 2230a_100000717814_100000038162 [1,1,0,0,0,0|1,0,0]=3 2164 B14R1.467 C#CCNC(CO)Cc1ccncc1 2230a_100000717866_100000038162 [1,1,0,0,0,0|1,0,0]=3 2165 B14R1.467 C#CCOC(C#C)Cc1ccccc1 34a_100000685211_100000184674 [1,1,0,0,0,0|1,0,1]=4 2166 B14R1.467 C#CCOC(C#C)Cc1ccccc1 7a_100000685211_100000038162 [1,1,0,0,0,0|1,0,1]=4 2167 B14R1.467 C#CCOC(CC)Cc1ccccc1 7a_100000760156_100000038162 [1,1,0,0,0,0|1,0,0]=3 2168 B14R1.467 C#CCOC(CN)Cc1ccccc1 34a_100000752270_100000184674 [1,1,0,0,0,0|1,0,0]=3 2169 B14R1.467 C#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000038162 [1,1,0,0,0,0|1,0,0]=3 2170 B14R1.467 C#CCSC(C#N)Cc1ccccc1 62a_100000038162_100000183401 [1,1,0,0,0,0|1,0,1]=4 2171 B14R1.467 C=CCNC(CC)Cc1ccccc1 270004a_100020586998_100000212045 [1,1,0,0,0,0|0,0,2]=4 2172 B14R1.467 C=CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210623 [1,1,0,0,0,0|0,0,2]=4 2173 B14R1.467 CCC(Cc1ccccc1)NCCO 270004a_100000210304_100000212045 [1,1,0,0,0,0|1,0,1]=4 2174 B14R1.467 CCC(Cc1ccccc1)OCC#N 7a_100000760156_100011215382 [1,1,0,0,0,0|2,0,0]=4 2175 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [1,1,0,0,0,0|0,0,2]=4 2176 B14R1.467 CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210303 [1,1,0,0,0,0|0,0,2]=4 2177 B14R1.467 COCNC(CO)Cc1ccccc1 2230a_100000739027_100000766300 [1,1,0,0,0,0|1,0,1]=4 2178 B14R1.467 CSCNC(CO)Cc1ccccc1 2230a_100000739027_100011218213 [1,1,0,0,0,0|1,0,1]=4 2179 B14R1.467 N#CCNC(C#N)Cc1ccccc1 2230a_100000746547_100011215382 [1,1,0,0,0,0|1,0,1]=4 2180 B14R1.467 N#CCNC(CO)Cc1ccccc1 2230a_100000739027_100011215382 [1,1,0,0,0,0|1,0,0]=3 2181 B14R1.467 N#CCNC(CO)Cc1cccnc1 2230a_100000717814_100011215382 [1,1,0,0,0,0|2,0,0]=4 2182 B14R1.467 N#CCNC(CO)Cc1ccncc1 2230a_100000717866_100011215382 [1,1,0,0,0,0|2,0,0]=4 2183 B14R1.467 N#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215382 [1,1,0,0,0,0|2,0,0]=4 2184 B14R1.467 O=CCNC(CO)Cc1ccccc1 2230a_100000739027_200015260668 [1,1,0,0,0,0|1,0,1]=4 2185 B14R1.467 OCC(Cc1ccccc1)NCCF 2230a_100000739027_100011217306 [1,1,0,0,0,0|1,0,1]=4 2186 B14R1.467 OCCNC(CO)Cc1ccccc1 2230a_100000739027_100000211926 [1,1,0,0,0,0|1,0,1]=4 2187 B14R1.743 C#CC(C)NC(C)C[n+]1ccccc1 270004a_100000707721_100000034229 [1,1,0,0,0,0|1,0,0]=3 2188 B14R1.743 C#CC(C)NC(C)Cc1ccccc1 34a_100000707721_200011218536 [1,1,0,0,0,0|0,0,0]=2 2189 B14R1.743 C#CC(C)NC(C)Cc1cccnc1 270004a_100000707721_100015187140 [1,1,0,0,0,0|1,0,0]=3 2190 B14R1.743 C#CC(C)NC(C)Cc1ccncc1 270004a_100000707721_100000238508 [1,1,0,0,0,0|1,0,0]=3 2191 B14R1.743 C#CC(C)NC(C)Cc1cnccn1 270004a_100000707721_100015184882 [1,1,0,0,0,0|2,0,0]=4 2192 B14R1.743 C#CC(C)OC(C)Cc1ccccc1 34a_100000748627_200000035995 [1,1,0,0,0,0|1,0,0]=3 2193 B14R1.743 C#CC(C)SC(C)Cc1ccccc1 62a_200000035995_200011218536 [1,1,0,0,0,0|1,0,0]=3 2194 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 34a_100009815206_200011218536 [1,1,0,0,0,0|1,0,0]=3 2195 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 7a_100009815206_200011218536 [1,1,0,0,0,0|1,0,0]=3 2196 B14R1.743 CC(C#N)NC(C)Cc1ccccn1 2230a_100000238496_100000184139 [1,1,0,0,0,0|2,0,0]=4 2197 B14R1.743 CC(C#N)NC(C)Cc1cccnc1 2230a_100011207255_100000184139 [1,1,0,0,0,0|2,0,0]=4 2198 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 34a_100011218135_200011218536 [1,1,0,0,0,0|2,0,0]=4 2199 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 7a_100000748627_100000703298 [1,1,0,0,0,0|2,0,0]=4 2200 B14R1.743 CC(C#N)SC(C)Cc1ccccc1 62a_100000703298_200011218536 [1,1,0,0,0,0|2,0,0]=4 2201 B14R1.743 CC(C#N)SC(C)Cc1ccccc1 62a_200011218536_100000703298 [1,1,0,0,0,0|2,0,0]=4 2202 B14R1.743 CC(Cc1ccccc1)SC(F)C#N 62a_200000117898_200011218536 [1,1,0,0,0,0|2,0,0]=4 2203 B14R1.743 CC(Cc1ccccc1)SC(F)C#N 62a_200011218536_200000117898 [1,1,0,0,0,0|2,0,0]=4 2204 B14R1.946 C#CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000688953 [1,1,0,0,0,0|2,0,0]=4 2205 B14R1.946 C#CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000730999 [1,1,0,0,0,0|2,0,0]=4 2206 B14R1.946 C#CCCN(C)Cc1ccccc1C 2230a_100000184421_100000688953 [1,1,0,0,0,0|2,0,0]=4 2207 B14R1.946 C#CCCN(C)Cc1ccccc1C 269982a_100000184421_100000730999 [1,1,0,0,0,0|2,0,0]=4 2208 B14R1.946 C#CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000688953 [1,1,0,0,0,0|2,0,0]=4 2209 B14R1.946 C#CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000730999 [1,1,0,0,0,0|2,0,0]=4 2210 B14R1.946 C#CCCN(C)Cc1ccccc1F 2230a_100000742528_100000688953 [1,1,0,0,0,0|2,0,0]=4 2211 B14R1.946 C#CCCN(C)Cc1ccccc1F 269982a_100000742528_100000730999 [1,1,0,0,0,0|2,0,0]=4 2212 B14R1.946 C#CCCN(C)Cc1ccccc1F 34a_100000742528_100000688953 [1,1,0,0,0,0|2,0,0]=4 2213 B14R1.946 C#CCCN(C)Cc1ccccc1O 2230a_100015189988_100000688953 [1,1,0,0,0,0|2,0,0]=4 2214 B14R1.946 C#CCCN(C)Cc1ccccc1O 269982a_100015189988_100000730999 [1,1,0,0,0,0|2,0,0]=4 2215 B14R1.946 C#CCNC(=O)Cc1ccccc1Br 11a_100000212058_100000751119 [1,1,0,0,0,0|1,0,1]=4 2216 B14R1.946 C#CCNC(=O)Cc1ccccc1Br 240690a_100000212058_100000751119 [1,1,0,0,0,0|1,0,1]=4 2217 B14R1.946 C#CCNC(=O)Cc1ccccc1Br 527a_100000212058_100000751119 [1,1,0,0,0,0|1,0,1]=4 2218 B14R1.946 C#CCNC(=O)Cc1ccccc1C 11a_100000212058_100000212180 [1,1,0,0,0,0|1,0,1]=4 2219 B14R1.946 C#CCNC(=O)Cc1ccccc1C 1626a_100000212058_100000212180 [1,1,0,0,0,0|1,0,1]=4 2220 B14R1.946 C#CCNC(=O)Cc1ccccc1C 240690a_100000212058_100000212180 [1,1,0,0,0,0|1,0,1]=4 2221 B14R1.946 C#CCNC(=O)Cc1ccccc1C 527a_100000212058_100000212180 [1,1,0,0,0,0|1,0,1]=4 2222 B14R1.946 C#CCNC(=O)Cc1ccccc1Cl 11a_100000212058_100000183793 [1,1,0,0,0,0|1,0,1]=4 2223 B14R1.946 C#CCNC(=O)Cc1ccccc1Cl 1626a_100000212058_100000183793 [1,1,0,0,0,0|1,0,1]=4 2224 B14R1.946 C#CCNC(=O)Cc1ccccc1Cl 240690a_100000212058_100000183793 [1,1,0,0,0,0|1,0,1]=4 2225 B14R1.946 C#CCNC(=O)Cc1ccccc1Cl 527a_100000212058_100000183793 [1,1,0,0,0,0|1,0,1]=4 2226 B14R1.946 C#CCNC(=O)Cc1ccccc1F 11a_100000212058_100000212012 [1,1,0,0,0,0|1,0,1]=4 2227 B14R1.946 C#CCNC(=O)Cc1ccccc1F 1626a_100000212058_100000212012 [1,1,0,0,0,0|1,0,1]=4 2228 B14R1.946 C#CCNC(=O)Cc1ccccc1F 240690a_100000212058_100000212012 [1,1,0,0,0,0|1,0,1]=4 2229 B14R1.946 C#CCNC(=O)Cc1ccccc1F 527a_100000212058_100000212012 [1,1,0,0,0,0|1,0,1]=4 2230 B14R1.946 C#CCNC(=O)Cc1ccccc1I 11a_100000212058_100000036491 [1,1,0,0,0,0|1,0,1]=4 2231 B14R1.946 C#CCNC(=O)Cc1ccccc1I 1626a_100000212058_100000036491 [1,1,0,0,0,0|1,0,1]=4 2232 B14R1.946 C#CCNC(=O)Cc1ccccc1I 240690a_100000212058_100000036491 [1,1,0,0,0,0|1,0,1]=4 2233 B14R1.946 C#CCNC(=O)Cc1ccccc1I 527a_100000212058_100000036491 [1,1,0,0,0,0|1,0,1]=4 2234 B14R1.946 C#CCNC(=O)Cc1ccccc1O 240690a_100000212058_100000743006 [1,1,0,0,0,0|1,0,1]=4 2235 B14R1.946 C#CCNC(=O)Cc1ccccc1O 527a_100000212058_100000743006 [1,1,0,0,0,0|1,0,1]=4 2236 B14R1.946 C=CCNC(C)Cc1ccccc1Br 270004a_100020586998_100011350739 [1,1,0,0,0,0|0,0,2]=4 2237 B14R1.946 C=CCNC(C)Cc1ccccc1C 270004a_100020586998_200000764500 [1,1,0,0,0,0|0,0,2]=4 2238 B14R1.946 C=CCNC(C)Cc1ccccc1Cl 270004a_100020586998_100000758791 [1,1,0,0,0,0|0,0,2]=4 2239 B14R1.946 C=CCNC(C)Cc1ccccc1F 270004a_100020586998_100000709178 [1,1,0,0,0,0|0,0,2]=4 2240 B14R1.946 CC(Cc1ccccc1Br)NCCO 270004a_100000210304_100011350739 [1,1,0,0,0,0|1,0,1]=4 2241 B14R1.946 CC(Cc1ccccc1Cl)NCCO 270004a_100000210304_100000758791 [1,1,0,0,0,0|1,0,1]=4 2242 B14R1.946 CC(Cc1ccccc1F)NCCO 270004a_100000210304_100000709178 [1,1,0,0,0,0|1,0,1]=4 2243 B14R1.946 CCCNC(C)Cc1ccccc1Br 270004a_100020643023_100011350739 [1,1,0,0,0,0|0,0,2]=4 2244 B14R1.946 CCCNC(C)Cc1ccccc1C 270004a_100020643023_200000764500 [1,1,0,0,0,0|0,0,2]=4 2245 B14R1.946 CCCNC(C)Cc1ccccc1Cl 270004a_100020643023_100000758791 [1,1,0,0,0,0|0,0,2]=4 2246 B14R1.946 CCCNC(C)Cc1ccccc1F 270004a_100020643023_100000709178 [1,1,0,0,0,0|0,0,2]=4 2247 B14R1.946 Cc1ccccc1CC(C)NCCO 270004a_100000210304_200000764500 [1,1,0,0,0,0|1,0,1]=4 2248 B14R1.4528 C#CCNS(=O)(=O)Cc1ccccc1 274078a_100000212058_100000211737 [1,1,0,0,0,0|2,0,0]=4 2249 B14R1.4528 C#CCNS(=O)(=O)Cc1ccccc1 40a_100000212058_100000235865 [1,1,0,0,0,0|2,0,0]=4 2250 B14R1.4528 C#CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000038162 [1,1,0,0,0,0|1,0,0]=3 2251 B14R1.4528 CC(C)(Cc1ccccc1)OCC#N 7a_100011215222_100011215382 [1,1,0,0,0,0|2,0,0]=4 2252 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 2230a_100000225621_100000239700 [1,1,0,0,0,0|0,0,2]=4 2253 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 269982a_100000225621_100000239700 [1,1,0,0,0,0|0,0,2]=4 2254 B14R1.134 C#CC(C)N(C)Cc1ccc(cc1)C 34a_100000744650_200000035995 [1,1,0,0,0,0|2,0,0]=4 2255 B14R1.134 C#CC(C)N(C)Cc1ccc(cc1)Cl 34a_100000184517_200000035995 [1,1,0,0,0,0|2,0,0]=4 2256 B14R1.134 C#CC(C)N(C)Cc1ccc(cc1)F 34a_100000184576_200000035995 [1,1,0,0,0,0|2,0,0]=4 2257 B14R1.135 C#CC(C)N(C)Cc1cccc(c1)C 34a_102495364743_200000035995 [1,1,0,0,0,0|2,0,0]=4 2258 B14R1.135 C#CC(C)N(C)Cc1cccc(c1)F 34a_100000184398_200000035995 [1,1,0,0,0,0|2,0,0]=4 2259 B14R1.425 CC(C)N(C)C(C)C[n+]1ccccc1 270004a_200000211004_100000034229 [1,1,0,0,0,0|1,0,1]=4 2260 B14R1.425 CC(C)N(C)C(C)Cc1ccccc1 269982a_200000211004_200011218536 [1,1,0,0,0,0|0,0,1]=3 2261 B14R1.425 CC(C)N(C)C(C)Cc1ccccn1 2230a_200011351704_100000210206 [1,1,0,0,0,0|1,0,1]=4 2262 B14R1.425 CC(C)N(C)C(C)Cc1ccccn1 269982a_200011351704_100000210206 [1,1,0,0,0,0|1,0,1]=4 2263 B14R1.425 CC(C)N(C)C(C)Cc1cccnc1 270004a_200000211004_100015187140 [1,1,0,0,0,0|1,0,1]=4 2264 B14R1.425 CC(C)N(C)C(C)Cc1ccncc1 270004a_200000211004_100000238508 [1,1,0,0,0,0|1,0,1]=4 2265 B14R1.532 CCN(CC)C(C)C[n+]1ccccc1 270004a_100000724800_100000034229 [1,1,0,0,0,0|1,0,1]=4 2266 B14R1.532 CCN(CC)C(C)Cc1ccccc1 269956a_100000042499_200011218536 [1,1,0,0,0,0|0,0,1]=3 2267 B14R1.532 CCN(CC)C(C)Cc1ccccc1 269982a_100000724800_200011218536 [1,1,0,0,0,0|0,0,1]=3 2268 B14R1.532 CCN(CC)C(C)Cc1cccnc1 270004a_100000724800_100015187140 [1,1,0,0,0,0|1,0,1]=4 2269 B14R1.532 CCN(CC)C(C)Cc1ccncc1 270004a_100000724800_100000238508 [1,1,0,0,0,0|1,0,1]=4 2270 B14R1.1007 C#CC(C)N(C)Cc1ccccc1F 34a_100000742528_200000035995 [1,1,0,0,0,0|2,0,0]=4 2271 B14R1.1031 CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210202 [1,1,0,0,0,0|0,0,1]=3 2272 B14R1.1031 CCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000204670 [1,1,0,0,0,0|0,0,1]=3 2273 B14R1.1031 CN(CF)[C@H](CO)Cc1ccccc1 269982a_100016995599_100015361967 [1,1,0,0,0,0|1,0,0]=3 2274 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)Br 1458a_100011220946_100000755118 [0,1,0,0,1,0|2,0,0]=4 2275 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100000184674 [0,1,0,0,1,0|2,0,0]=4 2276 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)C 1458a_100011220946_100011261388 [0,1,0,0,1,0|2,0,0]=4 2277 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_100000184674 [0,1,0,0,1,0|2,0,0]=4 2278 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100011220946_100000684792 [0,1,0,0,1,0|2,0,0]=4 2279 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)F 1458a_100011220946_100000743420 [0,1,0,0,1,0|2,0,0]=4 2280 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_100000184674 [0,1,0,0,1,0|2,0,0]=4 2281 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000184674 [0,1,0,0,1,0|2,0,0]=4 2282 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)Br 11a_100000225692_100000185839 [0,1,0,0,1,0|1,0,1]=4 2283 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)Br 1626a_100000225692_100000185839 [0,1,0,0,1,0|1,0,1]=4 2284 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)Br 527a_100000225692_100000185839 [0,1,0,0,1,0|1,0,1]=4 2285 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)C 11a_100000225692_100000188618 [0,1,0,0,1,0|1,0,1]=4 2286 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)C 1626a_100000225692_100000188618 [0,1,0,0,1,0|1,0,1]=4 2287 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)C 527a_100000225692_100000188618 [0,1,0,0,1,0|1,0,1]=4 2288 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)Cl 11a_100000225692_100000210187 [0,1,0,0,1,0|1,0,1]=4 2289 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)Cl 1626a_100000225692_100000210187 [0,1,0,0,1,0|1,0,1]=4 2290 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)Cl 527a_100000225692_100000210187 [0,1,0,0,1,0|1,0,1]=4 2291 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)F 11a_100000225692_100000187176 [0,1,0,0,1,0|1,0,1]=4 2292 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)F 1626a_100000225692_100000187176 [0,1,0,0,1,0|1,0,1]=4 2293 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)F 527a_100000225692_100000187176 [0,1,0,0,1,0|1,0,1]=4 2294 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)I 11a_100000225692_100000187904 [0,1,0,0,1,0|1,0,1]=4 2295 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)I 1626a_100000225692_100000187904 [0,1,0,0,1,0|1,0,1]=4 2296 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)I 527a_100000225692_100000187904 [0,1,0,0,1,0|1,0,1]=4 2297 B14R1.35 C#CCN(C)C(=O)c1ccc(cc1)O 527a_100000225692_100000212099 [0,1,0,0,1,0|1,0,1]=4 2298 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Br 2230a_100000225692_100000755118 [0,1,0,0,1,0|0,0,0]=2 2299 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000038162 [0,1,0,0,1,0|0,0,0]=2 2300 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Br 2230a_100160470772_200000210301 [0,1,0,0,1,0|0,0,0]=2 2301 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Br 269982a_100160470772_200000210301 [0,1,0,0,1,0|0,0,0]=2 2302 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Br 34a_100000225692_100000755118 [0,1,0,0,1,0|0,0,0]=2 2303 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Br 34a_100160470772_200000210301 [0,1,0,0,1,0|0,0,0]=2 2304 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)C 2230a_100000225692_100011261388 [0,1,0,0,1,0|0,0,0]=2 2305 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)C 34a_100000225692_100011261388 [0,1,0,0,1,0|0,0,0]=2 2306 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000225692_100000684792 [0,1,0,0,1,0|0,0,0]=2 2307 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000038162 [0,1,0,0,1,0|0,0,0]=2 2308 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000038162 [0,1,0,0,1,0|0,0,0]=2 2309 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)F 2230a_100000225692_100000743420 [0,1,0,0,1,0|0,0,0]=2 2310 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)F 2230a_100160470638_200000210301 [0,1,0,0,1,0|0,0,0]=2 2311 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)F 269982a_100160470638_200000210301 [0,1,0,0,1,0|0,0,0]=2 2312 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100000184674 [0,1,0,0,1,0|0,0,0]=2 2313 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)F 34a_100000225692_100000743420 [0,1,0,0,1,0|0,0,0]=2 2314 B14R1.35 C#CCN(C)C(C)c1ccc(cc1)F 34a_100160470638_200000210301 [0,1,0,0,1,0|0,0,0]=2 2315 B14R1.35 C#CCN(C)C(C)c1ccc(cn1)Br 270004a_100000225692_100000686046 [0,1,0,0,1,0|1,0,0]=3 2316 B14R1.35 C#CCN(C)C(C)c1ccc(cn1)C 270004a_100000225692_100000084104 [0,1,0,0,1,0|1,0,0]=3 2317 B14R1.35 C#CCN(C)C(C)c1ccc(cn1)Cl 270004a_100000225692_100000692432 [0,1,0,0,1,0|1,0,0]=3 2318 B14R1.35 C#CCN(C)C(C)c1ccc(cn1)F 270004a_100000225692_100102946652 [0,1,0,0,1,0|1,0,0]=3 2319 B14R1.35 C#CCN(C)C(C)c1cnc(cn1)Cl 270004a_100000225692_100009883172 [0,1,0,0,1,0|2,0,0]=4 2320 B14R1.35 C#CCN(C)C(C)c1ncc(cn1)Br 270004a_100000225692_100010077182 [0,1,0,0,1,0|2,0,0]=4 2321 B14R1.35 C#CCN(C)C(C)c1ncc(cn1)F 270004a_100000225692_200009841639 [0,1,0,0,1,0|2,0,0]=4 2322 B14R1.35 C#CCN([13CH3])C(C)c1ccc(cc1)Br 2230a_100160470772_200025704644 [0,1,0,0,1,0|0,0,0]=2 2323 B14R1.35 C#CCN([13CH3])C(C)c1ccc(cc1)Br 269982a_100160470772_200025704644 [0,1,0,0,1,0|0,0,0]=2 2324 B14R1.35 C#CCN([13CH3])C(C)c1ccc(cc1)Br 34a_100160470772_200025704644 [0,1,0,0,1,0|0,0,0]=2 2325 B14R1.35 C#CCN([13CH3])C(C)c1ccc(cc1)F 2230a_100160470638_200025704644 [0,1,0,0,1,0|0,0,0]=2 2326 B14R1.35 C#CCN([13CH3])C(C)c1ccc(cc1)F 269982a_100160470638_200025704644 [0,1,0,0,1,0|0,0,0]=2 2327 B14R1.35 C#CCN([13CH3])C(C)c1ccc(cc1)F 34a_100160470638_200025704644 [0,1,0,0,1,0|0,0,0]=2 2328 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Br 2230a_100000225617_100000755118 [0,1,0,0,1,0|0,0,2]=4 2329 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000210623 [0,1,0,0,1,0|0,0,2]=4 2330 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Br 269982a_100000225617_100000755118 [0,1,0,0,1,0|0,0,2]=4 2331 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000210623 [0,1,0,0,1,0|0,0,2]=4 2332 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)C 2230a_100000225617_100011261388 [0,1,0,0,1,0|0,0,2]=4 2333 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)C 269982a_100000225617_100011261388 [0,1,0,0,1,0|0,0,2]=4 2334 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000225617_100000684792 [0,1,0,0,1,0|0,0,2]=4 2335 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000210623 [0,1,0,0,1,0|0,0,2]=4 2336 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000225617_100000684792 [0,1,0,0,1,0|0,0,2]=4 2337 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000210623 [0,1,0,0,1,0|0,0,2]=4 2338 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000210623 [0,1,0,0,1,0|0,0,2]=4 2339 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)F 2230a_100000225617_100000743420 [0,1,0,0,1,0|0,0,2]=4 2340 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000210623 [0,1,0,0,1,0|0,0,2]=4 2341 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)F 269982a_100000225617_100000743420 [0,1,0,0,1,0|0,0,2]=4 2342 B14R1.35 C=CCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100015514636 [0,1,0,0,1,0|0,0,2]=4 2343 B14R1.35 CC(c1ccc(cc1)Br)N(C)CC#N 2230a_100000231103_100011215382 [0,1,0,0,1,0|1,0,0]=3 2344 B14R1.35 CC(c1ccc(cc1)Br)N(C)CC#N 2230a_100000748184_100000755118 [0,1,0,0,1,0|1,0,0]=3 2345 B14R1.35 CC(c1ccc(cc1)Br)N(C)CC#N 269982a_100000231103_100011214920 [0,1,0,0,1,0|1,0,0]=3 2346 B14R1.35 CC(c1ccc(cc1)Br)N(C)CC=O 2230a_100000231103_200015260668 [0,1,0,0,1,0|1,0,1]=4 2347 B14R1.35 CC(c1ccc(cc1)Br)N(C)CC=O 269982a_100000231103_200015260668 [0,1,0,0,1,0|1,0,1]=4 2348 B14R1.35 CC(c1ccc(cc1)Br)N(C)CCF 2230a_100000231103_100011217306 [0,1,0,0,1,0|1,0,1]=4 2349 B14R1.35 CC(c1ccc(cc1)Br)N(C)CCF 269982a_100000231103_100011217306 [0,1,0,0,1,0|1,0,1]=4 2350 B14R1.35 CC(c1ccc(cc1)Br)N(C)CCO 2230a_100000210263_100000755118 [0,1,0,0,1,0|1,0,1]=4 2351 B14R1.35 CC(c1ccc(cc1)Br)N(C)CCO 2230a_100000231103_100000211926 [0,1,0,0,1,0|1,0,1]=4 2352 B14R1.35 CC(c1ccc(cc1)Br)N(C)CCO 269982a_100000210263_100000755118 [0,1,0,0,1,0|1,0,1]=4 2353 B14R1.35 CC(c1ccc(cc1)Br)N(C)CCO 269982a_100000231103_100000211926 [0,1,0,0,1,0|1,0,1]=4 2354 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CC#N 2230a_100000231102_100011215382 [0,1,0,0,1,0|1,0,0]=3 2355 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CC#N 2230a_100000748184_100000684792 [0,1,0,0,1,0|1,0,0]=3 2356 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CC#N 269982a_100000231102_100011214920 [0,1,0,0,1,0|1,0,0]=3 2357 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CC=O 2230a_100000231102_200015260668 [0,1,0,0,1,0|1,0,1]=4 2358 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CC=O 269982a_100000231102_200015260668 [0,1,0,0,1,0|1,0,1]=4 2359 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CCF 2230a_100000231102_100011217306 [0,1,0,0,1,0|1,0,1]=4 2360 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CCF 269982a_100000231102_100011217306 [0,1,0,0,1,0|1,0,1]=4 2361 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CCO 2230a_100000210263_100000684792 [0,1,0,0,1,0|1,0,1]=4 2362 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CCO 2230a_100000231102_100000211926 [0,1,0,0,1,0|1,0,1]=4 2363 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CCO 269982a_100000210263_100000684792 [0,1,0,0,1,0|1,0,1]=4 2364 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CCO 269982a_100000231102_100000211926 [0,1,0,0,1,0|1,0,1]=4 2365 B14R1.35 CC(c1ccc(cc1)F)N(C)CC#N 2230a_100000222788_100011215382 [0,1,0,0,1,0|1,0,0]=3 2366 B14R1.35 CC(c1ccc(cc1)F)N(C)CC#N 2230a_100000748184_100000743420 [0,1,0,0,1,0|1,0,0]=3 2367 B14R1.35 CC(c1ccc(cc1)F)N(C)CC#N 269982a_100000222788_100011214920 [0,1,0,0,1,0|1,0,0]=3 2368 B14R1.35 CC(c1ccc(cc1)F)N(C)CC=O 2230a_100000222788_200015260668 [0,1,0,0,1,0|1,0,1]=4 2369 B14R1.35 CC(c1ccc(cc1)F)N(C)CC=O 269982a_100000222788_200015260668 [0,1,0,0,1,0|1,0,1]=4 2370 B14R1.35 CC(c1ccc(cc1)F)N(C)CC=O 34a_100000222788_200009817547 [0,1,0,0,1,0|1,0,1]=4 2371 B14R1.35 CC(c1ccc(cc1)F)N(C)CCF 2230a_100000222788_100011217306 [0,1,0,0,1,0|1,0,1]=4 2372 B14R1.35 CC(c1ccc(cc1)F)N(C)CCF 269982a_100000222788_100011217306 [0,1,0,0,1,0|1,0,1]=4 2373 B14R1.35 CC(c1ccc(cc1)F)N(C)CCF 34a_100000222788_100011217306 [0,1,0,0,1,0|1,0,1]=4 2374 B14R1.35 CC(c1ccc(cc1)F)N(C)CCO 2230a_100000210263_100000743420 [0,1,0,0,1,0|1,0,1]=4 2375 B14R1.35 CC(c1ccc(cc1)F)N(C)CCO 2230a_100000222788_100000211926 [0,1,0,0,1,0|1,0,1]=4 2376 B14R1.35 CC(c1ccc(cc1)F)N(C)CCO 269982a_100000210263_100000743420 [0,1,0,0,1,0|1,0,1]=4 2377 B14R1.35 CC(c1ccc(cc1)F)N(C)CCO 269982a_100000222788_100000211926 [0,1,0,0,1,0|1,0,1]=4 2378 B14R1.35 CC(c1ccc(cc1)F)N(C)CCO 34a_100000222788_100000211926 [0,1,0,0,1,0|1,0,1]=4 2379 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000210303 [0,1,0,0,1,0|0,0,2]=4 2380 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Br 2230a_100000747261_100000755118 [0,1,0,0,1,0|0,0,2]=4 2381 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000210303 [0,1,0,0,1,0|0,0,2]=4 2382 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Br 269982a_100000747261_100000755118 [0,1,0,0,1,0|0,0,2]=4 2383 B14R1.35 CCCN(C)C(C)c1ccc(cc1)C 2230a_100000747261_100011261388 [0,1,0,0,1,0|0,0,2]=4 2384 B14R1.35 CCCN(C)C(C)c1ccc(cc1)C 269982a_100000747261_100011261388 [0,1,0,0,1,0|0,0,2]=4 2385 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000210303 [0,1,0,0,1,0|0,0,2]=4 2386 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Cl 2230a_100000747261_100000684792 [0,1,0,0,1,0|0,0,2]=4 2387 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000210303 [0,1,0,0,1,0|0,0,2]=4 2388 B14R1.35 CCCN(C)C(C)c1ccc(cc1)Cl 269982a_100000747261_100000684792 [0,1,0,0,1,0|0,0,2]=4 2389 B14R1.35 CCCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000210303 [0,1,0,0,1,0|0,0,2]=4 2390 B14R1.35 CCCN(C)C(C)c1ccc(cc1)F 2230a_100000747261_100000743420 [0,1,0,0,1,0|0,0,2]=4 2391 B14R1.35 CCCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000210303 [0,1,0,0,1,0|0,0,2]=4 2392 B14R1.35 CCCN(C)C(C)c1ccc(cc1)F 269982a_100000747261_100000743420 [0,1,0,0,1,0|0,0,2]=4 2393 B14R1.35 CCCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100000210303 [0,1,0,0,1,0|0,0,2]=4 2394 B14R1.35 COCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000766300 [0,1,0,0,1,0|1,0,1]=4 2395 B14R1.35 COCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000766300 [0,1,0,0,1,0|1,0,1]=4 2396 B14R1.35 COCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000766300 [0,1,0,0,1,0|1,0,1]=4 2397 B14R1.35 COCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000766300 [0,1,0,0,1,0|1,0,1]=4 2398 B14R1.35 COCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000766300 [0,1,0,0,1,0|1,0,1]=4 2399 B14R1.35 COCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000766300 [0,1,0,0,1,0|1,0,1]=4 2400 B14R1.35 CSCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100011218213 [0,1,0,0,1,0|1,0,1]=4 2401 B14R1.35 CSCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100011218213 [0,1,0,0,1,0|1,0,1]=4 2402 B14R1.35 CSCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100011218213 [0,1,0,0,1,0|1,0,1]=4 2403 B14R1.35 CSCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100011218213 [0,1,0,0,1,0|1,0,1]=4 2404 B14R1.35 CSCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100011218213 [0,1,0,0,1,0|1,0,1]=4 2405 B14R1.35 CSCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100011218213 [0,1,0,0,1,0|1,0,1]=4 2406 B14R1.35 CSCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100011218213 [0,1,0,0,1,0|1,0,1]=4 2407 B14R1.35 Cc1ccc(cc1)C(C)N(C)CC#N 2230a_100000748184_100011261388 [0,1,0,0,1,0|1,0,0]=3 2408 B14R1.35 Cc1ccc(cc1)C(C)N(C)CCO 2230a_100000210263_100011261388 [0,1,0,0,1,0|1,0,1]=4 2409 B14R1.35 Cc1ccc(cc1)C(C)N(C)CCO 269982a_100000210263_100011261388 [0,1,0,0,1,0|1,0,1]=4 2410 B14R1.36 C#CCC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_100000184674 [0,1,0,0,1,0|2,0,0]=4 2411 B14R1.36 C#CCC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_100000184674 [0,1,0,0,1,0|2,0,0]=4 2412 B14R1.36 C#CCC(=O)C(C)c1cccc(c1)F 1458a_100000762896_100000184674 [0,1,0,0,1,0|2,0,0]=4 2413 B14R1.36 C#CCC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_100000184674 [0,1,0,0,1,0|2,0,0]=4 2414 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)Br 11a_100000225692_100000210664 [0,1,0,0,1,0|1,0,1]=4 2415 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)Br 1626a_100000225692_100000210664 [0,1,0,0,1,0|1,0,1]=4 2416 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)Br 527a_100000225692_100000210664 [0,1,0,0,1,0|1,0,1]=4 2417 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)C 11a_100000225692_100000189346 [0,1,0,0,1,0|1,0,1]=4 2418 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)C 1626a_100000225692_100000189346 [0,1,0,0,1,0|1,0,1]=4 2419 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)C 527a_100000225692_100000189346 [0,1,0,0,1,0|1,0,1]=4 2420 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)Cl 11a_100000225692_100000210390 [0,1,0,0,1,0|1,0,1]=4 2421 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)Cl 1626a_100000225692_100000210390 [0,1,0,0,1,0|1,0,1]=4 2422 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)Cl 527a_100000225692_100000210390 [0,1,0,0,1,0|1,0,1]=4 2423 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)F 11a_100000225692_100000210950 [0,1,0,0,1,0|1,0,1]=4 2424 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)F 1626a_100000225692_100000210950 [0,1,0,0,1,0|1,0,1]=4 2425 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)F 527a_100000225692_100000210950 [0,1,0,0,1,0|1,0,1]=4 2426 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)I 11a_100000225692_100000184098 [0,1,0,0,1,0|1,0,1]=4 2427 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)I 1626a_100000225692_100000184098 [0,1,0,0,1,0|1,0,1]=4 2428 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)I 527a_100000225692_100000184098 [0,1,0,0,1,0|1,0,1]=4 2429 B14R1.36 C#CCN(C)C(=O)c1cccc(c1)O 527a_100000225692_100000183914 [0,1,0,0,1,0|1,0,1]=4 2430 B14R1.36 C#CCN(C)C(C)c1cc(ccn1)Br 270004a_100000225692_100000709912 [0,1,0,0,1,0|1,0,0]=3 2431 B14R1.36 C#CCN(C)C(C)c1cc(ccn1)C 270004a_100000225692_100000728896 [0,1,0,0,1,0|1,0,0]=3 2432 B14R1.36 C#CCN(C)C(C)c1cc(ccn1)Cl 270004a_100000225692_100000099826 [0,1,0,0,1,0|1,0,0]=3 2433 B14R1.36 C#CCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000038162 [0,1,0,0,1,0|0,0,0]=2 2434 B14R1.36 C#CCN(C)C(C)c1cccc(c1)Br 2230a_100160470771_200000210301 [0,1,0,0,1,0|0,0,0]=2 2435 B14R1.36 C#CCN(C)C(C)c1cccc(c1)Br 269982a_100160470771_200000210301 [0,1,0,0,1,0|0,0,0]=2 2436 B14R1.36 C#CCN(C)C(C)c1cccc(c1)Br 34a_100160470771_200000210301 [0,1,0,0,1,0|0,0,0]=2 2437 B14R1.36 C#CCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000038162 [0,1,0,0,1,0|0,0,0]=2 2438 B14R1.36 C#CCN(C)C(C)c1cccc(c1)F 2230a_100160470639_200000210301 [0,1,0,0,1,0|0,0,0]=2 2439 B14R1.36 C#CCN(C)C(C)c1cccc(c1)F 269982a_100160470639_200000210301 [0,1,0,0,1,0|0,0,0]=2 2440 B14R1.36 C#CCN(C)C(C)c1cccc(c1)F 34a_100000231114_100000184674 [0,1,0,0,1,0|0,0,0]=2 2441 B14R1.36 C#CCN(C)C(C)c1cccc(c1)F 34a_100160470639_200000210301 [0,1,0,0,1,0|0,0,0]=2 2442 B14R1.36 C#CCN([13CH3])C(C)c1cccc(c1)Br 2230a_100160470771_200025704644 [0,1,0,0,1,0|0,0,0]=2 2443 B14R1.36 C#CCN([13CH3])C(C)c1cccc(c1)Br 269982a_100160470771_200025704644 [0,1,0,0,1,0|0,0,0]=2 2444 B14R1.36 C#CCN([13CH3])C(C)c1cccc(c1)Br 34a_100160470771_200025704644 [0,1,0,0,1,0|0,0,0]=2 2445 B14R1.36 C#CCN([13CH3])C(C)c1cccc(c1)F 2230a_100160470639_200025704644 [0,1,0,0,1,0|0,0,0]=2 2446 B14R1.36 C#CCN([13CH3])C(C)c1cccc(c1)F 269982a_100160470639_200025704644 [0,1,0,0,1,0|0,0,0]=2 2447 B14R1.36 C#CCN([13CH3])C(C)c1cccc(c1)F 34a_100160470639_200025704644 [0,1,0,0,1,0|0,0,0]=2 2448 B14R1.36 C=CCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000210623 [0,1,0,0,1,0|0,0,2]=4 2449 B14R1.36 C=CCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100000210623 [0,1,0,0,1,0|0,0,2]=4 2450 B14R1.36 C=CCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000210623 [0,1,0,0,1,0|0,0,2]=4 2451 B14R1.36 C=CCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100000210623 [0,1,0,0,1,0|0,0,2]=4 2452 B14R1.36 C=CCN(C)C(C)c1cccc(c1)F 34a_100000231114_100015514636 [0,1,0,0,1,0|0,0,2]=4 2453 B14R1.36 CC(c1cccc(c1)Br)N(C)CC#N 2230a_100025717457_100011215382 [0,1,0,0,1,0|1,0,0]=3 2454 B14R1.36 CC(c1cccc(c1)Br)N(C)CC#N 269982a_100025717457_100011214920 [0,1,0,0,1,0|1,0,0]=3 2455 B14R1.36 CC(c1cccc(c1)Br)N(C)CC=O 2230a_100025717457_200015260668 [0,1,0,0,1,0|1,0,1]=4 2456 B14R1.36 CC(c1cccc(c1)Br)N(C)CC=O 269982a_100025717457_200015260668 [0,1,0,0,1,0|1,0,1]=4 2457 B14R1.36 CC(c1cccc(c1)Br)N(C)CCF 2230a_100025717457_100011217306 [0,1,0,0,1,0|1,0,1]=4 2458 B14R1.36 CC(c1cccc(c1)Br)N(C)CCF 269982a_100025717457_100011217306 [0,1,0,0,1,0|1,0,1]=4 2459 B14R1.36 CC(c1cccc(c1)Br)N(C)CCO 2230a_100025717457_100000211926 [0,1,0,0,1,0|1,0,1]=4 2460 B14R1.36 CC(c1cccc(c1)Br)N(C)CCO 269982a_100025717457_100000211926 [0,1,0,0,1,0|1,0,1]=4 2461 B14R1.36 CC(c1cccc(c1)F)N(C)CC#N 2230a_100000231114_100011215382 [0,1,0,0,1,0|1,0,0]=3 2462 B14R1.36 CC(c1cccc(c1)F)N(C)CC#N 269982a_100000231114_100011214920 [0,1,0,0,1,0|1,0,0]=3 2463 B14R1.36 CC(c1cccc(c1)F)N(C)CC=O 2230a_100000231114_200015260668 [0,1,0,0,1,0|1,0,1]=4 2464 B14R1.36 CC(c1cccc(c1)F)N(C)CC=O 269982a_100000231114_200015260668 [0,1,0,0,1,0|1,0,1]=4 2465 B14R1.36 CC(c1cccc(c1)F)N(C)CC=O 34a_100000231114_200009817547 [0,1,0,0,1,0|1,0,1]=4 2466 B14R1.36 CC(c1cccc(c1)F)N(C)CCF 2230a_100000231114_100011217306 [0,1,0,0,1,0|1,0,1]=4 2467 B14R1.36 CC(c1cccc(c1)F)N(C)CCF 269982a_100000231114_100011217306 [0,1,0,0,1,0|1,0,1]=4 2468 B14R1.36 CC(c1cccc(c1)F)N(C)CCF 34a_100000231114_100011217306 [0,1,0,0,1,0|1,0,1]=4 2469 B14R1.36 CC(c1cccc(c1)F)N(C)CCO 2230a_100000231114_100000211926 [0,1,0,0,1,0|1,0,1]=4 2470 B14R1.36 CC(c1cccc(c1)F)N(C)CCO 269982a_100000231114_100000211926 [0,1,0,0,1,0|1,0,1]=4 2471 B14R1.36 CC(c1cccc(c1)F)N(C)CCO 34a_100000231114_100000211926 [0,1,0,0,1,0|1,0,1]=4 2472 B14R1.36 CCCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000210303 [0,1,0,0,1,0|0,0,2]=4 2473 B14R1.36 CCCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100000210303 [0,1,0,0,1,0|0,0,2]=4 2474 B14R1.36 CCCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000210303 [0,1,0,0,1,0|0,0,2]=4 2475 B14R1.36 CCCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100000210303 [0,1,0,0,1,0|0,0,2]=4 2476 B14R1.36 CCCN(C)C(C)c1cccc(c1)F 34a_100000231114_100000210303 [0,1,0,0,1,0|0,0,2]=4 2477 B14R1.36 COCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000766300 [0,1,0,0,1,0|1,0,1]=4 2478 B14R1.36 COCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100000766300 [0,1,0,0,1,0|1,0,1]=4 2479 B14R1.36 COCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000766300 [0,1,0,0,1,0|1,0,1]=4 2480 B14R1.36 COCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100000766300 [0,1,0,0,1,0|1,0,1]=4 2481 B14R1.36 CSCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100011218213 [0,1,0,0,1,0|1,0,1]=4 2482 B14R1.36 CSCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100011218213 [0,1,0,0,1,0|1,0,1]=4 2483 B14R1.36 CSCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100011218213 [0,1,0,0,1,0|1,0,1]=4 2484 B14R1.36 CSCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100011218213 [0,1,0,0,1,0|1,0,1]=4 2485 B14R1.36 CSCN(C)C(C)c1cccc(c1)F 34a_100000231114_100011218213 [0,1,0,0,1,0|1,0,1]=4 2486 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 2230a_100000195388_100000748629 [0,1,0,0,1,0|0,0,2]=4 2487 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 2230a_100000225649_100000230085 [0,1,0,0,1,0|0,0,2]=4 2488 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 269982a_100000195388_100000748629 [0,1,0,0,1,0|0,0,2]=4 2489 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 269982a_100000225649_100000230085 [0,1,0,0,1,0|0,0,2]=4 2490 B14R1.417 C=C(F)CN(C)C(C)c1ccccc1 2230a_100000195388_100009893438 [0,1,0,0,1,0|0,0,2]=4 2491 B14R1.417 C=C(F)CN(C)C(C)c1ccccc1 269982a_100000195388_100009893438 [0,1,0,0,1,0|0,0,2]=4 2492 B14R1.417 CC(C)CN(C)C(C)c1ccccc1 2230a_100000195388_100000210760 [0,1,0,0,1,0|0,0,2]=4 2493 B14R1.417 CC(C)CN(C)C(C)c1ccccc1 2230a_100000747067_100000230085 [0,1,0,0,1,0|0,0,2]=4 2494 B14R1.417 CC(C)CN(C)C(C)c1ccccc1 2230a_103437231818_200000210301 [0,1,0,0,1,0|0,0,2]=4 2495 B14R1.417 CC(C)CN(C)C(C)c1ccccc1 269982a_100000195388_100000210624 [0,1,0,0,1,0|0,0,2]=4 2496 B14R1.417 CC(C)CN(C)C(C)c1ccccc1 269982a_100000747067_100000230085 [0,1,0,0,1,0|0,0,2]=4 2497 B14R1.417 CC(C)CN(C)C(C)c1ccccc1 269982a_103437231818_200000210301 [0,1,0,0,1,0|0,0,2]=4 2498 B14R1.417 CC(C)CN(C)C(C)c1ccccc1 270004a_100000195388_100000210432 [0,1,0,0,1,0|0,0,2]=4 2499 B14R1.417 CC(C)CN([13CH3])C(C)c1ccccc1 2230a_103437231818_200025704644 [0,1,0,0,1,0|0,0,2]=4 2500 B14R1.417 CC(C)CN([13CH3])C(C)c1ccccc1 269982a_103437231818_200025704644 [0,1,0,0,1,0|0,0,2]=4 2501 B14R1.417 CC(O)CN(C)C(C)c1ccccc1 2230a_100000195388_100011218427 [0,1,0,0,1,0|0,0,2]=4 2502 B14R1.417 CC(O)CN(C)C(C)c1ccccc1 2230a_100000227577_100000230085 [0,1,0,0,1,0|0,0,2]=4 2503 B14R1.417 CC(O)CN(C)C(C)c1ccccc1 269982a_100000195388_100011218427 [0,1,0,0,1,0|0,0,2]=4 2504 B14R1.417 CC(O)CN(C)C(C)c1ccccc1 269982a_100000227577_100000230085 [0,1,0,0,1,0|0,0,2]=4 2505 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000195388_100000747473 [0,1,0,0,1,0|1,0,1]=4 2506 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000739694_100000230085 [0,1,0,0,1,0|1,0,1]=4 2507 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 269982a_100000195388_100000187820 [0,1,0,0,1,0|1,0,1]=4 2508 B14R1.417 CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_100000211855 [0,1,0,0,1,0|1,0,1]=4 2509 B14R1.417 CC(c1ccccc1)N(C)CC(=O)[O-] 269982a_100000195388_100020667443 [0,1,0,0,1,0|1,0,1]=4 2510 B14R1.417 CC(c1ccccc1)N(C)CC(F)F 2230a_100000195388_100011934356 [0,1,0,0,1,0|1,0,1]=4 2511 B14R1.417 CC(c1ccccc1)N(C)CC(F)F 269982a_100000195388_100011934356 [0,1,0,0,1,0|1,0,1]=4 2512 B14R1.417 CC(c1ccccc1)N(C)C[C@@H](C)O 2230a_100000195388_100009817552 [0,1,0,0,1,0|0,0,2]=4 2513 B14R1.417 CC(c1ccccc1)N(C)C[C@@H](C)O 269982a_100000195388_100009817552 [0,1,0,0,1,0|0,0,2]=4 2514 B14R1.417 CC(c1ccccc1)N(C)C[N+](=O)[O-] 269982a_100000195388_100000761209 [0,1,0,0,1,0|2,0,0]=4 2515 B14R1.417 C[C@@H](c1ccccc1)N(C)CC(=O)O 269956a_100011939985_200000210301 [0,1,0,0,1,0|1,0,1]=4 2516 B14R1.417 C[C@@H](c1ccccc1)N([13CH3])CC(=O)O 269956a_100011939985_200025704644 [0,1,0,0,1,0|1,0,1]=4 2517 B14R1.478 C#CCN(CC)C(=O)c1ccccc1 11a_100000744766_100000185807 [0,1,0,0,1,0|1,0,1]=4 2518 B14R1.478 C#CCN(CC)C(=O)c1ccccc1 1626a_100000744766_100000185807 [0,1,0,0,1,0|1,0,1]=4 2519 B14R1.478 C#CCN(CC)C(=O)c1ccccc1 240690a_100000744766_100000185807 [0,1,0,0,1,0|1,0,1]=4 2520 B14R1.478 C#CCN(CC)C(=O)c1ccccc1 527a_100000744766_100000185807 [0,1,0,0,1,0|1,0,1]=4 2521 B14R1.478 C#CCN(CC)C(C)c1ccccc1 2230a_100000744766_100000230085 [0,1,0,0,1,0|0,0,0]=2 2522 B14R1.478 C#CCN(CC)C(C)c1ccccc1 2230a_200000216251_100000210202 [0,1,0,0,1,0|0,0,0]=2 2523 B14R1.478 C#CCN(CC)C(C)c1ccccc1 269982a_100000744766_100000230085 [0,1,0,0,1,0|0,0,0]=2 2524 B14R1.478 C#CCN(CC)C(C)c1ccccc1 269982a_200000216251_100000204670 [0,1,0,0,1,0|0,0,0]=2 2525 B14R1.478 C#CCN(CC)C(C)c1ccccc1 34a_200000216251_100000210202 [0,1,0,0,1,0|0,0,0]=2 2526 B14R1.478 C#CCN(CC)C(C)c1cnccn1 2230a_100000744766_200000703233 [0,1,0,0,1,0|2,0,0]=4 2527 B14R1.478 C#CCN(CC)C(C)c1cnccn1 269982a_100000744766_200000703233 [0,1,0,0,1,0|2,0,0]=4 2528 B14R1.478 C#CCN(CC)C(C)c1ncccn1 270004a_100000744766_100011350828 [0,1,0,0,1,0|2,0,0]=4 2529 B14R1.478 C#CCN(CF)C(C)c1ccccc1 269982a_200000216251_100015361967 [0,1,0,0,1,0|0,0,0]=2 2530 B14R1.478 C#CCN(CF)C(C)c1ccccc1 34a_200000216251_100015361967 [0,1,0,0,1,0|0,0,0]=2 2531 B14R1.478 CCCN(CC)C(C)c1ccccc1 2230a_100000226822_100000230085 [0,1,0,0,1,0|0,0,2]=4 2532 B14R1.478 CCCN(CC)C(C)c1ccccc1 2230a_100020603006_100000210202 [0,1,0,0,1,0|0,0,2]=4 2533 B14R1.478 CCCN(CC)C(C)c1ccccc1 269982a_100000226822_100000230085 [0,1,0,0,1,0|0,0,2]=4 2534 B14R1.478 CCCN(CC)C(C)c1ccccc1 269982a_100020603006_100000204670 [0,1,0,0,1,0|0,0,2]=4 2535 B14R1.478 CCCN(CF)C(C)c1ccccc1 269982a_100020603006_100015361967 [0,1,0,0,1,0|0,0,2]=4 2536 B14R1.478 CCN(CCO)C(C)c1ccccc1 2230a_100000210973_100000230085 [0,1,0,0,1,0|1,0,1]=4 2537 B14R1.478 CCN(CCO)C(C)c1ccccc1 269982a_100000210973_100000230085 [0,1,0,0,1,0|1,0,1]=4 2538 B14R1.478 CCN(CCO)[C@H](C)c1ccccc1 2230a_100000753783_100000210202 [0,1,0,0,1,0|1,0,1]=4 2539 B14R1.478 CCN(CCO)[C@H](C)c1ccccc1 269982a_100000753783_100000204670 [0,1,0,0,1,0|1,0,1]=4 2540 B14R1.478 C[C@H](c1ccccc1)N(CF)CCO 269982a_100000753783_100015361967 [0,1,0,0,1,0|1,0,1]=4 2541 B14R1.510 C#CCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000184674 [0,1,0,0,1,0|2,0,0]=4 2542 B14R1.510 C#CCC(=O)C(C)(C)c1ccccc1 1458a_100011220946_100000034625 [0,1,0,0,1,0|2,0,0]=4 2543 B14R1.510 C#CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000184674 [0,1,0,0,1,0|2,0,0]=4 2544 B14R1.510 C#CCN(C)C(C)(C)c1ccccc1 2230a_100000225692_100000034625 [0,1,0,0,1,0|0,0,0]=2 2545 B14R1.510 C#CCN(C)S(=O)(=O)c1ccccc1 274078a_100000225692_100000210345 [0,1,0,0,1,0|2,0,0]=4 2546 B14R1.510 C#CCN(C)S(=O)(=O)c1ccccc1 40a_100000225692_100000032697 [0,1,0,0,1,0|2,0,0]=4 2547 B14R1.510 C=CCN(C)C(C)(C)c1ccccc1 2230a_100000225617_100000034625 [0,1,0,0,1,0|0,0,2]=4 2548 B14R1.510 C=CCN(C)C(C)(C)c1ccccc1 269982a_100000225617_100000034625 [0,1,0,0,1,0|0,0,2]=4 2549 B14R1.510 CCCN(C)C(C)(C)c1ccccc1 2230a_100000747261_100000034625 [0,1,0,0,1,0|0,0,2]=4 2550 B14R1.510 CCCN(C)C(C)(C)c1ccccc1 269982a_100000747261_100000034625 [0,1,0,0,1,0|0,0,2]=4 2551 B14R1.510 CN(CC#N)C(C)(C)c1ccccc1 2230a_100000748184_100000034625 [0,1,0,0,1,0|1,0,0]=3 2552 B14R1.510 CN(CCO)C(C)(C)c1ccccc1 2230a_100000210263_100000034625 [0,1,0,0,1,0|1,0,1]=4 2553 B14R1.510 CN(CCO)C(C)(C)c1ccccc1 269982a_100000210263_100000034625 [0,1,0,0,1,0|1,0,1]=4 2554 B14R1.604 C#CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000184674 [0,1,0,0,1,0|2,0,0]=4 2555 B14R1.604 C#CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000184674 [0,1,0,0,1,0|2,0,0]=4 2556 B14R1.604 C#CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000184674 [0,1,0,0,1,0|2,0,0]=4 2557 B14R1.604 C#CCN(C)C(C=C)c1ccccc1 2230a_100000225692_200000085779 [0,1,0,0,1,0|0,0,1]=3 2558 B14R1.604 C#CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000038162 [0,1,0,0,1,0|0,0,0]=2 2559 B14R1.604 C#CCN(C)C(CC)c1ccccn1 2230a_100011351527_100000038162 [0,1,0,0,1,0|1,0,0]=3 2560 B14R1.604 C#CCN(C)C(CC)c1cccnc1 2230a_200011351541_100000038162 [0,1,0,0,1,0|1,0,0]=3 2561 B14R1.604 C#CCN(C)C(CC)c1ncccn1 270004a_100000225692_200011350823 [0,1,0,0,1,0|2,0,0]=4 2562 B14R1.604 C=CC(c1ccccc1)N(C)CC#N 2230a_100000748184_200000085779 [0,1,0,0,1,0|1,0,1]=4 2563 B14R1.604 C=CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210623 [0,1,0,0,1,0|0,0,2]=4 2564 B14R1.604 C=CCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210623 [0,1,0,0,1,0|0,0,2]=4 2565 B14R1.604 CCC(c1ccccc1)N(C)CC#N 2230a_100000737544_100011215382 [0,1,0,0,1,0|1,0,0]=3 2566 B14R1.604 CCC(c1ccccc1)N(C)CC#N 269982a_100000737544_100011214920 [0,1,0,0,1,0|1,0,0]=3 2567 B14R1.604 CCC(c1ccccc1)N(C)CC=O 2230a_100000737544_200015260668 [0,1,0,0,1,0|1,0,1]=4 2568 B14R1.604 CCC(c1ccccc1)N(C)CC=O 269982a_100000737544_200015260668 [0,1,0,0,1,0|1,0,1]=4 2569 B14R1.604 CCC(c1ccccc1)N(C)CCF 2230a_100000737544_100011217306 [0,1,0,0,1,0|1,0,1]=4 2570 B14R1.604 CCC(c1ccccc1)N(C)CCF 269982a_100000737544_100011217306 [0,1,0,0,1,0|1,0,1]=4 2571 B14R1.604 CCC(c1ccccc1)N(C)CCO 2230a_100000737544_100000211926 [0,1,0,0,1,0|1,0,1]=4 2572 B14R1.604 CCC(c1ccccc1)N(C)CCO 269982a_100000737544_100000211926 [0,1,0,0,1,0|1,0,1]=4 2573 B14R1.604 CCC(c1ccccc1)N(C)COC 2230a_100000737544_100000766300 [0,1,0,0,1,0|1,0,1]=4 2574 B14R1.604 CCC(c1ccccc1)N(C)COC 269982a_100000737544_100000766300 [0,1,0,0,1,0|1,0,1]=4 2575 B14R1.604 CCC(c1ccccc1)N(C)CSC 2230a_100000737544_100011218213 [0,1,0,0,1,0|1,0,1]=4 2576 B14R1.604 CCC(c1ccccc1)N(C)CSC 269982a_100000737544_100011218213 [0,1,0,0,1,0|1,0,1]=4 2577 B14R1.604 CCC(c1ccccn1)N(C)CC#N 2230a_100011351527_100011215382 [0,1,0,0,1,0|2,0,0]=4 2578 B14R1.604 CCC(c1ccccn1)N(C)CC#N 269982a_100011351527_100011214920 [0,1,0,0,1,0|2,0,0]=4 2579 B14R1.604 CCC(c1cccnc1)N(C)CC#N 2230a_200011351541_100011215382 [0,1,0,0,1,0|2,0,0]=4 2580 B14R1.604 CCC(c1cccnc1)N(C)CC#N 269982a_200011351541_100011214920 [0,1,0,0,1,0|2,0,0]=4 2581 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737431_200000210301 [0,1,0,0,1,0|0,0,2]=4 2582 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210303 [0,1,0,0,1,0|0,0,2]=4 2583 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737431_200000210301 [0,1,0,0,1,0|0,0,2]=4 2584 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210303 [0,1,0,0,1,0|0,0,2]=4 2585 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 2230a_100000737431_200025704644 [0,1,0,0,1,0|0,0,2]=4 2586 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 269982a_100000737431_200025704644 [0,1,0,0,1,0|0,0,2]=4 2587 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000184674 [0,1,0,0,1,0|2,0,0]=4 2588 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Cl 1458a_100011220946_100000181259 [0,1,0,0,1,0|2,0,0]=4 2589 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000184674 [0,1,0,0,1,0|2,0,0]=4 2590 B14R1.3348 C#CCC(=O)C(C)c1ccccc1F 1458a_100011220946_200000741388 [0,1,0,0,1,0|2,0,0]=4 2591 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Br 11a_100000225692_100000188424 [0,1,0,0,1,0|1,0,1]=4 2592 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Br 1626a_100000225692_100000188424 [0,1,0,0,1,0|1,0,1]=4 2593 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Br 527a_100000225692_100000188424 [0,1,0,0,1,0|1,0,1]=4 2594 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 11a_100000225692_100000212026 [0,1,0,0,1,0|1,0,1]=4 2595 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 1626a_100000225692_100000212026 [0,1,0,0,1,0|1,0,1]=4 2596 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 527a_100000225692_100000212026 [0,1,0,0,1,0|1,0,1]=4 2597 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Cl 11a_100000225692_100000185844 [0,1,0,0,1,0|1,0,1]=4 2598 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Cl 1626a_100000225692_100000185844 [0,1,0,0,1,0|1,0,1]=4 2599 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Cl 527a_100000225692_100000185844 [0,1,0,0,1,0|1,0,1]=4 2600 B14R1.3348 C#CCN(C)C(=O)c1ccccc1F 11a_100000225692_100000188656 [0,1,0,0,1,0|1,0,1]=4 2601 B14R1.3348 C#CCN(C)C(=O)c1ccccc1F 1626a_100000225692_100000188656 [0,1,0,0,1,0|1,0,1]=4 2602 B14R1.3348 C#CCN(C)C(=O)c1ccccc1F 527a_100000225692_100000188656 [0,1,0,0,1,0|1,0,1]=4 2603 B14R1.3348 C#CCN(C)C(=O)c1ccccc1I 11a_100000225692_100000187884 [0,1,0,0,1,0|1,0,1]=4 2604 B14R1.3348 C#CCN(C)C(=O)c1ccccc1I 1626a_100000225692_100000187884 [0,1,0,0,1,0|1,0,1]=4 2605 B14R1.3348 C#CCN(C)C(=O)c1ccccc1I 527a_100000225692_100000187884 [0,1,0,0,1,0|1,0,1]=4 2606 B14R1.3348 C#CCN(C)C(=O)c1ccccc1[O-] 1626a_100000225692_100009911694 [0,1,0,0,1,0|1,0,1]=4 2607 B14R1.3348 C#CCN(C)C(=O)c1ccccc1[O-] 527a_100000225692_100009911694 [0,1,0,0,1,0|1,0,1]=4 2608 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000038162 [0,1,0,0,1,0|0,0,0]=2 2609 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 2230a_100160470769_200000210301 [0,1,0,0,1,0|0,0,0]=2 2610 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 269982a_100160470769_200000210301 [0,1,0,0,1,0|0,0,0]=2 2611 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 34a_100160470769_200000210301 [0,1,0,0,1,0|0,0,0]=2 2612 B14R1.3348 C#CCN(C)C(C)c1ccccc1Cl 2230a_100000225692_100000181259 [0,1,0,0,1,0|0,0,0]=2 2613 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100000225692_200000741388 [0,1,0,0,1,0|0,0,0]=2 2614 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000038162 [0,1,0,0,1,0|0,0,0]=2 2615 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100160470640_200000210301 [0,1,0,0,1,0|0,0,0]=2 2616 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 269982a_100160470640_200000210301 [0,1,0,0,1,0|0,0,0]=2 2617 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100000225692_200000741388 [0,1,0,0,1,0|0,0,0]=2 2618 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100000231110_100000184674 [0,1,0,0,1,0|0,0,0]=2 2619 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100160470640_200000210301 [0,1,0,0,1,0|0,0,0]=2 2620 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 2230a_100160470769_200025704644 [0,1,0,0,1,0|0,0,0]=2 2621 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 269982a_100160470769_200025704644 [0,1,0,0,1,0|0,0,0]=2 2622 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 34a_100160470769_200025704644 [0,1,0,0,1,0|0,0,0]=2 2623 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 2230a_100160470640_200025704644 [0,1,0,0,1,0|0,0,0]=2 2624 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 269982a_100160470640_200025704644 [0,1,0,0,1,0|0,0,0]=2 2625 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 34a_100160470640_200025704644 [0,1,0,0,1,0|0,0,0]=2 2626 B14R1.3348 C=CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210623 [0,1,0,0,1,0|0,0,2]=4 2627 B14R1.3348 C=CCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000210623 [0,1,0,0,1,0|0,0,2]=4 2628 B14R1.3348 C=CCN(C)C(C)c1ccccc1Cl 2230a_100000225617_100000181259 [0,1,0,0,1,0|0,0,2]=4 2629 B14R1.3348 C=CCN(C)C(C)c1ccccc1Cl 269982a_100000225617_100000181259 [0,1,0,0,1,0|0,0,2]=4 2630 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 2230a_100000225617_200000741388 [0,1,0,0,1,0|0,0,2]=4 2631 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210623 [0,1,0,0,1,0|0,0,2]=4 2632 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 269982a_100000225617_200000741388 [0,1,0,0,1,0|0,0,2]=4 2633 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 269982a_100000231110_100000210623 [0,1,0,0,1,0|0,0,2]=4 2634 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 34a_100000231110_100015514636 [0,1,0,0,1,0|0,0,2]=4 2635 B14R1.3348 CC(c1ccccc1Br)N(C)CC#N 2230a_100000692418_100011215382 [0,1,0,0,1,0|1,0,0]=3 2636 B14R1.3348 CC(c1ccccc1Br)N(C)CC#N 269982a_100000692418_100011214920 [0,1,0,0,1,0|1,0,0]=3 2637 B14R1.3348 CC(c1ccccc1Br)N(C)CC=O 2230a_100000692418_200015260668 [0,1,0,0,1,0|1,0,1]=4 2638 B14R1.3348 CC(c1ccccc1Br)N(C)CC=O 269982a_100000692418_200015260668 [0,1,0,0,1,0|1,0,1]=4 2639 B14R1.3348 CC(c1ccccc1Br)N(C)CCF 2230a_100000692418_100011217306 [0,1,0,0,1,0|1,0,1]=4 2640 B14R1.3348 CC(c1ccccc1Br)N(C)CCF 269982a_100000692418_100011217306 [0,1,0,0,1,0|1,0,1]=4 2641 B14R1.3348 CC(c1ccccc1Br)N(C)CCO 2230a_100000692418_100000211926 [0,1,0,0,1,0|1,0,1]=4 2642 B14R1.3348 CC(c1ccccc1Br)N(C)CCO 269982a_100000692418_100000211926 [0,1,0,0,1,0|1,0,1]=4 2643 B14R1.3348 CC(c1ccccc1Cl)N(C)CC#N 2230a_100000748184_100000181259 [0,1,0,0,1,0|1,0,0]=3 2644 B14R1.3348 CC(c1ccccc1Cl)N(C)CCO 2230a_100000210263_100000181259 [0,1,0,0,1,0|1,0,1]=4 2645 B14R1.3348 CC(c1ccccc1Cl)N(C)CCO 269982a_100000210263_100000181259 [0,1,0,0,1,0|1,0,1]=4 2646 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 2230a_100000231110_100011215382 [0,1,0,0,1,0|1,0,0]=3 2647 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 2230a_100000748184_200000741388 [0,1,0,0,1,0|1,0,0]=3 2648 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 269982a_100000231110_100011214920 [0,1,0,0,1,0|1,0,0]=3 2649 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 2230a_100000231110_200015260668 [0,1,0,0,1,0|1,0,1]=4 2650 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 269982a_100000231110_200015260668 [0,1,0,0,1,0|1,0,1]=4 2651 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 34a_100000231110_200009817547 [0,1,0,0,1,0|1,0,1]=4 2652 B14R1.3348 CC(c1ccccc1F)N(C)CCF 2230a_100000231110_100011217306 [0,1,0,0,1,0|1,0,1]=4 2653 B14R1.3348 CC(c1ccccc1F)N(C)CCF 269982a_100000231110_100011217306 [0,1,0,0,1,0|1,0,1]=4 2654 B14R1.3348 CC(c1ccccc1F)N(C)CCF 34a_100000231110_100011217306 [0,1,0,0,1,0|1,0,1]=4 2655 B14R1.3348 CC(c1ccccc1F)N(C)CCO 2230a_100000210263_200000741388 [0,1,0,0,1,0|1,0,1]=4 2656 B14R1.3348 CC(c1ccccc1F)N(C)CCO 2230a_100000231110_100000211926 [0,1,0,0,1,0|1,0,1]=4 2657 B14R1.3348 CC(c1ccccc1F)N(C)CCO 269982a_100000210263_200000741388 [0,1,0,0,1,0|1,0,1]=4 2658 B14R1.3348 CC(c1ccccc1F)N(C)CCO 269982a_100000231110_100000211926 [0,1,0,0,1,0|1,0,1]=4 2659 B14R1.3348 CC(c1ccccc1F)N(C)CCO 34a_100000231110_100000211926 [0,1,0,0,1,0|1,0,1]=4 2660 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210303 [0,1,0,0,1,0|0,0,2]=4 2661 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 2230a_100000741022_200000210301 [0,1,0,0,1,0|0,0,2]=4 2662 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000210303 [0,1,0,0,1,0|0,0,2]=4 2663 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 269982a_100000741022_200000210301 [0,1,0,0,1,0|0,0,2]=4 2664 B14R1.3348 CCCN(C)C(C)c1ccccc1Cl 2230a_100000747261_100000181259 [0,1,0,0,1,0|0,0,2]=4 2665 B14R1.3348 CCCN(C)C(C)c1ccccc1Cl 269982a_100000747261_100000181259 [0,1,0,0,1,0|0,0,2]=4 2666 B14R1.3348 CCCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210303 [0,1,0,0,1,0|0,0,2]=4 2667 B14R1.3348 CCCN(C)C(C)c1ccccc1F 2230a_100000747261_200000741388 [0,1,0,0,1,0|0,0,2]=4 2668 B14R1.3348 CCCN(C)C(C)c1ccccc1F 269982a_100000231110_100000210303 [0,1,0,0,1,0|0,0,2]=4 2669 B14R1.3348 CCCN(C)C(C)c1ccccc1F 269982a_100000747261_200000741388 [0,1,0,0,1,0|0,0,2]=4 2670 B14R1.3348 CCCN(C)C(C)c1ccccc1F 34a_100000231110_100000210303 [0,1,0,0,1,0|0,0,2]=4 2671 B14R1.3348 CCCN([13CH3])C(C)c1ccccc1Br 2230a_100000741022_200025704644 [0,1,0,0,1,0|0,0,2]=4 2672 B14R1.3348 CCCN([13CH3])C(C)c1ccccc1Br 269982a_100000741022_200025704644 [0,1,0,0,1,0|0,0,2]=4 2673 B14R1.3348 COCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000766300 [0,1,0,0,1,0|1,0,1]=4 2674 B14R1.3348 COCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000766300 [0,1,0,0,1,0|1,0,1]=4 2675 B14R1.3348 COCN(C)C(C)c1ccccc1F 2230a_100000231110_100000766300 [0,1,0,0,1,0|1,0,1]=4 2676 B14R1.3348 COCN(C)C(C)c1ccccc1F 269982a_100000231110_100000766300 [0,1,0,0,1,0|1,0,1]=4 2677 B14R1.3348 CSCN(C)C(C)c1ccccc1Br 2230a_100000692418_100011218213 [0,1,0,0,1,0|1,0,1]=4 2678 B14R1.3348 CSCN(C)C(C)c1ccccc1Br 269982a_100000692418_100011218213 [0,1,0,0,1,0|1,0,1]=4 2679 B14R1.3348 CSCN(C)C(C)c1ccccc1F 2230a_100000231110_100011218213 [0,1,0,0,1,0|1,0,1]=4 2680 B14R1.3348 CSCN(C)C(C)c1ccccc1F 269982a_100000231110_100011218213 [0,1,0,0,1,0|1,0,1]=4 2681 B14R1.3348 CSCN(C)C(C)c1ccccc1F 34a_100000231110_100011218213 [0,1,0,0,1,0|1,0,1]=4 2682 B14R1.59 C#CCN(C)C(C)Cn1cc(cn1)Br 270004a_100000225692_100000763327 [0,1,0,0,1,0|2,0,0]=4 2683 B14R1.454 CC(Cc1ccco1)N(C)CCC#N 270004a_100000184479_100011216958 [0,1,0,0,1,0|1,0,1]=4 2684 B14R1.475 C#CCN(C)C(C)C(=O)c1cccs1 2230a_100000225692_100011262360 [0,1,0,0,1,0|1,0,1]=4 2685 B14R1.524 C#CCN(C)C(CC)Cc1ccco1 270004a_100000225692_200011996595 [0,1,0,0,1,0|1,0,0]=3 2686 B14R1.737 CC(C#N)N(C)C(C)Cc1ccco1 270004a_100000745055_100011216958 [0,1,0,0,1,0|2,0,0]=4 2687 B14R1.971 C#CCN(CC)C(C)Cc1ccco1 270004a_100000744766_100011216958 [0,1,0,0,1,0|1,0,0]=3 2688 B16R1.177 C#CCC(CC)OC(C)Cc1ccccc1 34a_200011217983_200011218536 [0,1,0,0,0,1|1,0,0]=3 2689 B16R1.177 C#CCC(CC)OC(C)Cc1ccccc1 7a_200011217983_200011218536 [0,1,0,0,0,1|1,0,0]=3 2690 B16R1.177 C#CCN(CC)CC(=O)Cc1ccccc1 2230a_100000744766_100000233483 [0,1,0,0,0,1|1,0,1]=4 2691 B16R1.177 C#CCN(CC)CC(=O)Cc1ccccc1 269982a_100000744766_100000233483 [0,1,0,0,0,1|1,0,1]=4 2692 B16R1.177 C#CCN(CC)C[C@@H](O)Cc1ccccc1 2230a_100000744766_100000729385 [0,1,0,0,0,1|1,0,0]=3 2693 B16R1.177 C#CCN(CC)C[C@@H](O)Cc1ccccc1 269982a_100000744766_100000729385 [0,1,0,0,0,1|1,0,0]=3 2694 B16R1.915 C#CCC(C)OC(C)C(=O)c1ccccc1 7a_100000685586_100000239700 [0,1,0,0,0,1|1,0,1]=4 2695 B16R1.936 C#CCC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100011220946 [0,1,0,0,0,1|2,0,0]=4 2696 B16R1.936 C#CCC(C)OC(C#N)Cc1ccccc1 7a_100000685586_100000183401 [0,1,0,0,0,1|1,0,1]=4 2697 B16R1.936 CC(CC#N)NC(CO)Cc1ccccc1 2230a_100000739027_100009813641 [0,1,0,0,0,1|2,0,0]=4 2698 B16R1.936 CC(CC#N)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100009813641 [0,1,0,0,0,1|2,0,0]=4 2699 B16R1.936 CCC(Cc1ccccc1)OC(C)CC#N 7a_100000760156_100009813641 [0,1,0,0,0,1|2,0,0]=4 2700 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000225692_100016990649 [0,1,0,0,0,1|0,0,2]=4 2701 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000225692_100016990649 [0,1,0,0,0,1|0,0,2]=4 2702 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000225692_100016990649 [0,1,0,0,0,1|0,0,2]=4 2703 B16R1.945 C#CCN(C)C(=O)C(=C)Cc1ccccc1 11a_100000225692_100000066491 [0,1,0,0,0,1|0,0,2]=4 2704 B16R1.945 C#CCN(C)C(=O)C(=C)Cc1ccccc1 1626a_100000225692_100000066491 [0,1,0,0,0,1|0,0,2]=4 2705 B16R1.945 C#CCN(C)C(=O)C(C)Cc1ccccc1 11a_100000225692_100000754839 [0,1,0,0,0,1|0,0,0]=2 2706 B16R1.945 C#CCN(C)C(=O)C(C)Cc1ccccc1 1626a_100000225692_100000754839 [0,1,0,0,0,1|0,0,0]=2 2707 B16R1.945 C#CCN(C)C(=O)C(C)Cc1ccccc1 527a_100000225692_100000754839 [0,1,0,0,0,1|0,0,0]=2 2708 B16R1.945 C#CCN(C)C(=O)C(C)Cc1ccccn1 1626a_100000225692_100012000792 [0,1,0,0,0,1|1,0,0]=3 2709 B16R1.945 C#CCN(C)C(=O)C(C)Cc1ccccn1 527a_100000225692_100012000792 [0,1,0,0,0,1|1,0,0]=3 2710 B16R1.945 C#CCN(C)C(=O)C(C)Oc1ccccc1 11a_100000225692_100000188414 [0,1,0,0,0,1|1,0,0]=3 2711 B16R1.945 C#CCN(C)C(=O)C(C)Oc1ccccc1 1626a_100000225692_100000188414 [0,1,0,0,0,1|1,0,0]=3 2712 B16R1.945 C#CCN(C)C(=O)C(C)Oc1ccccc1 527a_100000225692_100000188414 [0,1,0,0,0,1|1,0,0]=3 2713 B16R1.945 C#CCN(C)C(=O)C(C)Sc1ccccc1 11a_100000225692_100000199063 [0,1,0,0,0,1|1,0,0]=3 2714 B16R1.945 C#CCN(C)C(=O)C(C)Sc1ccccc1 1626a_100000225692_100000199063 [0,1,0,0,0,1|1,0,0]=3 2715 B16R1.945 C#CCN(C)C(=O)C(C)Sc1ccccc1 527a_100000225692_100000199063 [0,1,0,0,0,1|1,0,0]=3 2716 B16R1.945 C#CCN(C)C(=O)C(C)Sc1ccccn1 11a_100000225692_100000156770 [0,1,0,0,0,1|2,0,0]=4 2717 B16R1.945 C#CCN(C)C(=O)C(C)Sc1ccccn1 1626a_100000225692_100000156770 [0,1,0,0,0,1|2,0,0]=4 2718 B16R1.945 C#CCN(C)C(=O)C(C)Sc1ccccn1 527a_100000225692_100000156770 [0,1,0,0,0,1|2,0,0]=4 2719 B16R1.945 C#CCN(C)C(C)C(C)Cc1ccccc1 270004a_100000225692_200011390852 [0,1,0,0,0,1|0,0,0]=2 2720 B16R1.945 C#CCN(C)C(C)C(C)Oc1ccccc1 270004a_100000225692_100000150574 [0,1,0,0,0,1|1,0,0]=3 2721 B16R1.945 C=CCN(C)C(=O)C(C)Cc1ccccc1 11a_100000225617_100000754839 [0,1,0,0,0,1|0,0,2]=4 2722 B16R1.945 C=CCN(C)C(=O)C(C)Cc1ccccc1 1626a_100000225617_100000754839 [0,1,0,0,0,1|0,0,2]=4 2723 B16R1.945 C=CCN(C)C(=O)C(C)Cc1ccccc1 240690a_100000225617_100000754839 [0,1,0,0,0,1|0,0,2]=4 2724 B16R1.945 C=CCN(C)C(=O)C(C)Cc1ccccc1 527a_100000225617_100000754839 [0,1,0,0,0,1|0,0,2]=4 2725 B16R1.945 C=CCN(C)C(C)C(C)Cc1ccccc1 270004a_100000225617_200011390852 [0,1,0,0,0,1|0,0,2]=4 2726 B16R1.945 CC(CC#N)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100009813641 [0,1,0,0,0,1|2,0,0]=4 2727 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N 11a_100000748184_100000754839 [0,1,0,0,0,1|1,0,0]=3 2728 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N 1626a_100000748184_100000754839 [0,1,0,0,0,1|1,0,0]=3 2729 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CCO 240690a_100000210263_100000754839 [0,1,0,0,0,1|1,0,1]=4 2730 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CCO 527a_100000210263_100000754839 [0,1,0,0,0,1|1,0,1]=4 2731 B16R1.945 CC(Cc1ccccc1)C(C)N(C)CCO 270004a_100000210263_200011390852 [0,1,0,0,0,1|1,0,1]=4 2732 B16R1.945 CC(Cc1ccccn1)C(=O)N(C)CC#N 1626a_100000748184_100012000792 [0,1,0,0,0,1|2,0,0]=4 2733 B16R1.945 CC(Oc1ccccc1)C(=O)N(C)CC#N 11a_100000748184_100000188414 [0,1,0,0,0,1|2,0,0]=4 2734 B16R1.945 CC(Oc1ccccc1)C(=O)N(C)CC#N 1626a_100000748184_100000188414 [0,1,0,0,0,1|2,0,0]=4 2735 B16R1.945 CC(Sc1ccccc1)C(=O)N(C)CC#N 11a_100000748184_100000199063 [0,1,0,0,0,1|2,0,0]=4 2736 B16R1.945 CC(Sc1ccccc1)C(=O)N(C)CC#N 1626a_100000748184_100000199063 [0,1,0,0,0,1|2,0,0]=4 2737 B16R1.945 CCCN(C)C(=O)C(C)Cc1ccccc1 11a_100000747261_100000754839 [0,1,0,0,0,1|0,0,2]=4 2738 B16R1.945 CCCN(C)C(=O)C(C)Cc1ccccc1 1626a_100000747261_100000754839 [0,1,0,0,0,1|0,0,2]=4 2739 B16R1.945 CCCN(C)C(=O)C(C)Cc1ccccc1 240690a_100000747261_100000754839 [0,1,0,0,0,1|0,0,2]=4 2740 B16R1.945 CCCN(C)C(=O)C(C)Cc1ccccc1 527a_100000747261_100000754839 [0,1,0,0,0,1|0,0,2]=4 2741 B16R1.945 CCCN(C)C(C)C(C)Cc1ccccc1 270004a_100000747261_200011390852 [0,1,0,0,0,1|0,0,2]=4 2742 B16R1.955 C#CCC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100011220946 [0,1,0,0,0,1|2,0,0]=4 2743 B16R1.955 C#CCN(C)CC(C)Oc1ccc(cc1)F 2230a_100000225692_100010228477 [0,1,0,0,0,1|1,0,0]=3 2744 B16R1.955 C#CCN(C)CC(C)Oc1ccc(cc1)F 34a_100000225692_100010228477 [0,1,0,0,0,1|1,0,0]=3 2745 B16R1.955 CC(CC#N)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100009813641 [0,1,0,0,0,1|2,0,0]=4 2746 B16R1.955 CC(CC#N)OC(C)Cc1ccc(cc1)F 7a_100011351027_100009813641 [0,1,0,0,0,1|2,0,0]=4 2747 B16R1.955 CC(CN(C)CC#N)Oc1ccc(cc1)F 2230a_100000748184_100010228477 [0,1,0,0,0,1|2,0,0]=4 2748 B16R1.1497 CN(CCC#N)C[C@@H](O)Cc1ccccc1 2230a_100000184479_100000729385 [0,1,0,0,0,1|1,0,1]=4 2749 B16R1.2180 CC(CC#N)OC(C)(C)Cc1ccccc1 7a_100011215222_100009813641 [0,1,0,0,0,1|2,0,0]=4 2750 B16R1.4235 C#CCN(C)CC(=O)Cc1ccccc1Br 2230a_100000225692_100000700504 [0,1,0,0,0,1|1,0,1]=4 2751 B16R1.4235 C#CCN(C)CC(=O)Cc1ccccc1Br 34a_100000225692_100000700504 [0,1,0,0,0,1|1,0,1]=4 2752 B16R1.4235 C#CCN(C)CC(=O)Cc1ccccc1C 2230a_100000225692_100011223134 [0,1,0,0,0,1|1,0,1]=4 2753 B16R1.194 C#CCN(CC)C(=O)CCc1ccccc1 11a_100000744766_100000185753 [0,1,0,0,0,1|1,0,1]=4 2754 B16R1.194 C#CCN(CC)C(=O)CCc1ccccc1 1626a_100000744766_100000185753 [0,1,0,0,0,1|1,0,1]=4 2755 B16R1.194 C#CCN(CC)C(=O)CCc1ccccc1 240690a_100000744766_100000185753 [0,1,0,0,0,1|1,0,1]=4 2756 B16R1.194 C#CCN(CC)C(=O)CCc1ccccc1 527a_100000744766_100000185753 [0,1,0,0,0,1|1,0,1]=4 2757 B16R1.194 C#CCN(CC)C(=O)COc1ccccc1 11a_100000744766_100000186222 [0,1,0,0,0,1|1,0,1]=4 2758 B16R1.194 C#CCN(CC)C(=O)COc1ccccc1 1626a_100000744766_100000186222 [0,1,0,0,0,1|1,0,1]=4 2759 B16R1.194 C#CCN(CC)C(=O)COc1ccccc1 240690a_100000744766_100000186222 [0,1,0,0,0,1|1,0,1]=4 2760 B16R1.194 C#CCN(CC)C(=O)COc1ccccc1 527a_100000744766_100000186222 [0,1,0,0,0,1|1,0,1]=4 2761 B16R1.194 C#CCN(CC)C(=O)CSc1ccccc1 11a_100000744766_100000211596 [0,1,0,0,0,1|1,0,1]=4 2762 B16R1.194 C#CCN(CC)C(=O)CSc1ccccc1 1626a_100000744766_100000211596 [0,1,0,0,0,1|1,0,1]=4 2763 B16R1.194 C#CCN(CC)C(=O)CSc1ccccc1 240690a_100000744766_100000211596 [0,1,0,0,0,1|1,0,1]=4 2764 B16R1.194 C#CCN(CC)C(=O)CSc1ccccc1 527a_100000744766_100000211596 [0,1,0,0,0,1|1,0,1]=4 2765 B16R1.194 C#CCN(CC)C(=O)NCc1ccccc1 2708a_100015324214_100000744766 [0,1,0,0,0,1|1,0,1]=4 2766 B16R1.194 C#CCN(CC)C(=O)NCc1ccccc1 273464a_100015324214_100000744766 [0,1,0,0,0,1|1,0,1]=4 2767 B16R1.194 C#CCN(CC)C(C)CCc1ccccc1 270004a_100000744766_100000210092 [0,1,0,0,0,1|0,0,0]=2 2768 B16R1.194 C#CCN(CC)C(C)COc1ccccc1 270004a_100000744766_100000150576 [0,1,0,0,0,1|0,0,0]=2 2769 B16R1.194 C#CCN(CC)C(C)CSc1ccccc1 270004a_100000744766_100000150717 [0,1,0,0,0,1|0,0,0]=2 2770 B16R1.194 CC(COc1ccccc1)N(CF)CCO 269982a_200009868044_100015361967 [0,1,0,0,0,1|1,0,1]=4 2771 B16R1.194 CC(COc1ccccc1)N(CF)CCO 34a_200009868044_100015361967 [0,1,0,0,0,1|1,0,1]=4 2772 B16R1.194 CCCN(CC)C(C)CCc1ccccc1 270004a_100000226822_100000210092 [0,1,0,0,0,1|0,0,2]=4 2773 B16R1.194 CCCN(CC)C(C)COc1ccccc1 270004a_100000226822_100000150576 [0,1,0,0,0,1|0,0,2]=4 2774 B16R1.194 CCCN(CC)C(C)CSc1ccccc1 270004a_100000226822_100000150717 [0,1,0,0,0,1|0,0,2]=4 2775 B16R1.194 CCN(CCO)C(C)CCc1ccccc1 270004a_100000210973_100000210092 [0,1,0,0,0,1|1,0,1]=4 2776 B16R1.194 CCN(CCO)C(C)COc1ccccc1 2230a_200009868044_100000210202 [0,1,0,0,0,1|1,0,1]=4 2777 B16R1.194 CCN(CCO)C(C)COc1ccccc1 269982a_200009868044_100000204670 [0,1,0,0,0,1|1,0,1]=4 2778 B16R1.194 CCN(CCO)C(C)COc1ccccc1 270004a_100000210973_100000150576 [0,1,0,0,0,1|1,0,1]=4 2779 B16R1.194 CCN(CCO)C(C)COc1ccccc1 34a_200009868044_100000210202 [0,1,0,0,0,1|1,0,1]=4 2780 B16R1.194 CCN(CCO)C(C)CSc1ccccc1 270004a_100000210973_100000150717 [0,1,0,0,0,1|1,0,1]=4 2781 B16R1.740 C#CCN(C)C(CC)CCc1ccccc1 270004a_100000225692_100011279265 [0,1,0,0,0,1|0,0,0]=2 2782 B16R1.740 C=CCN(C)C(CC)CCc1ccccc1 270004a_100000225617_100011279265 [0,1,0,0,0,1|0,0,2]=4 2783 B16R1.740 CCC(CCc1ccccc1)N(C)CCO 270004a_100000210263_100011279265 [0,1,0,0,0,1|1,0,1]=4 2784 B16R1.740 CCCN(C)C(CC)CCc1ccccc1 270004a_100000747261_100011279265 [0,1,0,0,0,1|0,0,2]=4 2785 B16R1.912 C#CCN(C)C(=O)CC(C)c1ccccc1 11a_100000225692_100000183687 [0,1,0,0,0,1|1,0,1]=4 2786 B16R1.912 C#CCN(C)C(=O)CC(C)c1ccccc1 1626a_100000225692_100000183687 [0,1,0,0,0,1|1,0,1]=4 2787 B16R1.912 C#CCN(C)C(=O)CC(C)c1ccccc1 527a_100000225692_100000183687 [0,1,0,0,0,1|1,0,1]=4 2788 B16R1.912 C#CCN(C)C(=O)CN(C)c1ccccc1 527a_100000225692_100000745425 [0,1,0,0,0,1|1,0,1]=4 2789 B16R1.912 C#CCN(C)C(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100000225692 [0,1,0,0,0,1|1,0,1]=4 2790 B16R1.912 C#CCN(C)C(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100000225692 [0,1,0,0,0,1|1,0,1]=4 2791 B16R1.979 C#CCC(=O)C(C)SCc1ccc(cc1)Cl 1458a_200000149568_100000184674 [0,1,0,0,0,1|2,0,0]=4 2792 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)Br 11a_100000225692_100000217147 [0,1,0,0,0,1|1,0,1]=4 2793 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)Br 1626a_100000225692_100000217147 [0,1,0,0,0,1|1,0,1]=4 2794 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)Br 527a_100000225692_100000217147 [0,1,0,0,0,1|1,0,1]=4 2795 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)C 11a_100000225692_100000234883 [0,1,0,0,0,1|1,0,1]=4 2796 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)C 1626a_100000225692_100000234883 [0,1,0,0,0,1|1,0,1]=4 2797 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)C 527a_100000225692_100000234883 [0,1,0,0,0,1|1,0,1]=4 2798 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)Cl 11a_100000225692_100000235379 [0,1,0,0,0,1|1,0,1]=4 2799 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)Cl 1626a_100000225692_100000235379 [0,1,0,0,0,1|1,0,1]=4 2800 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)Cl 527a_100000225692_100000235379 [0,1,0,0,0,1|1,0,1]=4 2801 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)F 11a_100000225692_100000198493 [0,1,0,0,0,1|1,0,1]=4 2802 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)F 1626a_100000225692_100000198493 [0,1,0,0,0,1|1,0,1]=4 2803 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)F 527a_100000225692_100000198493 [0,1,0,0,0,1|1,0,1]=4 2804 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)I 11a_100000225692_100011217499 [0,1,0,0,0,1|1,0,1]=4 2805 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)I 1626a_100000225692_100011217499 [0,1,0,0,0,1|1,0,1]=4 2806 B16R1.979 C#CCN(C)C(=O)CCc1ccc(cc1)I 527a_100000225692_100011217499 [0,1,0,0,0,1|1,0,1]=4 2807 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)Br 11a_100000225692_100000182358 [0,1,0,0,0,1|1,0,1]=4 2808 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)Br 1626a_100000225692_100000182358 [0,1,0,0,0,1|1,0,1]=4 2809 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)Br 527a_100000225692_100000182358 [0,1,0,0,0,1|1,0,1]=4 2810 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)C 11a_100000225692_100000182360 [0,1,0,0,0,1|1,0,1]=4 2811 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)C 1626a_100000225692_100000182360 [0,1,0,0,0,1|1,0,1]=4 2812 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)C 527a_100000225692_100000182360 [0,1,0,0,0,1|1,0,1]=4 2813 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)Cl 11a_100000225692_100016990877 [0,1,0,0,0,1|1,0,1]=4 2814 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)Cl 1626a_100000225692_100016990877 [0,1,0,0,0,1|1,0,1]=4 2815 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)Cl 527a_100000225692_100016990877 [0,1,0,0,0,1|1,0,1]=4 2816 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)F 11a_100000225692_100000184765 [0,1,0,0,0,1|1,0,1]=4 2817 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)F 1626a_100000225692_100000184765 [0,1,0,0,0,1|1,0,1]=4 2818 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)F 527a_100000225692_100000184765 [0,1,0,0,0,1|1,0,1]=4 2819 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)I 11a_100000225692_100000184369 [0,1,0,0,0,1|1,0,1]=4 2820 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)I 1626a_100000225692_100000184369 [0,1,0,0,0,1|1,0,1]=4 2821 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)I 527a_100000225692_100000184369 [0,1,0,0,0,1|1,0,1]=4 2822 B16R1.979 C#CCN(C)C(=O)COc1ccc(cc1)O 527a_100000225692_100000031633 [0,1,0,0,0,1|1,0,1]=4 2823 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)Br 11a_100000225692_100000179496 [0,1,0,0,0,1|1,0,1]=4 2824 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)Br 1626a_100000225692_100000179496 [0,1,0,0,0,1|1,0,1]=4 2825 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)Br 527a_100000225692_100000179496 [0,1,0,0,0,1|1,0,1]=4 2826 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)C 11a_100000225692_100000179497 [0,1,0,0,0,1|1,0,1]=4 2827 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)C 1626a_100000225692_100000179497 [0,1,0,0,0,1|1,0,1]=4 2828 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)C 527a_100000225692_100000179497 [0,1,0,0,0,1|1,0,1]=4 2829 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)Cl 11a_100000225692_100000178402 [0,1,0,0,0,1|1,0,1]=4 2830 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)Cl 1626a_100000225692_100000178402 [0,1,0,0,0,1|1,0,1]=4 2831 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)Cl 527a_100000225692_100000178402 [0,1,0,0,0,1|1,0,1]=4 2832 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)F 11a_100000225692_100000691584 [0,1,0,0,0,1|1,0,1]=4 2833 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)F 1626a_100000225692_100000691584 [0,1,0,0,0,1|1,0,1]=4 2834 B16R1.979 C#CCN(C)C(=O)CSc1ccc(cc1)F 527a_100000225692_100000691584 [0,1,0,0,0,1|1,0,1]=4 2835 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000225692 [0,1,0,0,0,1|1,0,1]=4 2836 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000225692 [0,1,0,0,0,1|1,0,1]=4 2837 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)C 2708a_100000174908_100000225692 [0,1,0,0,0,1|1,0,1]=4 2838 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)C 273464a_100000174908_100000225692 [0,1,0,0,0,1|1,0,1]=4 2839 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000225692 [0,1,0,0,0,1|1,0,1]=4 2840 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000225692 [0,1,0,0,0,1|1,0,1]=4 2841 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)F 2708a_100000174882_100000225692 [0,1,0,0,0,1|1,0,1]=4 2842 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)F 273464a_100000174882_100000225692 [0,1,0,0,0,1|1,0,1]=4 2843 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)I 2708a_100016989417_100000225692 [0,1,0,0,0,1|1,0,1]=4 2844 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)I 273464a_100016989417_100000225692 [0,1,0,0,0,1|1,0,1]=4 2845 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)O 2708a_100000185549_100000225692 [0,1,0,0,0,1|1,0,1]=4 2846 B16R1.979 C#CCN(C)C(=O)NCc1ccc(cc1)O 273464a_100000185549_100000225692 [0,1,0,0,0,1|1,0,1]=4 2847 B16R1.979 C#CCN(C)C(C)CCc1ccc(cc1)Cl 270004a_100000225692_100011279170 [0,1,0,0,0,1|0,0,0]=2 2848 B16R1.979 C#CCN(C)C(C)CCc1ccc(cc1)F 270004a_100000225692_100000743244 [0,1,0,0,0,1|0,0,0]=2 2849 B16R1.979 C#CCN(C)C(C)CCc1ccc(cc1)I 270004a_100000225692_100000723691 [0,1,0,0,0,1|0,0,0]=2 2850 B16R1.979 C#CCN(C)C(C)CCc1ccc(cc1)O 270004a_100000225692_100000198047 [0,1,0,0,0,1|0,0,0]=2 2851 B16R1.979 C#CCN(C)C(C)COc1ccc(cc1)Cl 270004a_100000225692_200000150450 [0,1,0,0,0,1|0,0,0]=2 2852 B16R1.979 C#CCN(C)C(C)CSc1ccc(cc1)C 270004a_100000225692_100000172844 [0,1,0,0,0,1|0,0,0]=2 2853 B16R1.979 C#CCN(C)C(C)CSc1ccc(cc1)Cl 270004a_100000225692_100000150472 [0,1,0,0,0,1|0,0,0]=2 2854 B16R1.979 C#CCN(C)C(C)CSc1ccc(cc1)F 270004a_100000225692_200000148136 [0,1,0,0,0,1|0,0,0]=2 2855 B16R1.979 C=CCN(C)C(C)CCc1ccc(cc1)Cl 270004a_100000225617_100011279170 [0,1,0,0,0,1|0,0,2]=4 2856 B16R1.979 C=CCN(C)C(C)CCc1ccc(cc1)F 270004a_100000225617_100000743244 [0,1,0,0,0,1|0,0,2]=4 2857 B16R1.979 C=CCN(C)C(C)CCc1ccc(cc1)I 270004a_100000225617_100000723691 [0,1,0,0,0,1|0,0,2]=4 2858 B16R1.979 C=CCN(C)C(C)CCc1ccc(cc1)O 270004a_100000225617_100000198047 [0,1,0,0,0,1|0,0,2]=4 2859 B16R1.979 C=CCN(C)C(C)COc1ccc(cc1)Cl 270004a_100000225617_200000150450 [0,1,0,0,0,1|0,0,2]=4 2860 B16R1.979 C=CCN(C)C(C)CSc1ccc(cc1)C 270004a_100000225617_100000172844 [0,1,0,0,0,1|0,0,2]=4 2861 B16R1.979 C=CCN(C)C(C)CSc1ccc(cc1)Cl 270004a_100000225617_100000150472 [0,1,0,0,0,1|0,0,2]=4 2862 B16R1.979 C=CCN(C)C(C)CSc1ccc(cc1)F 270004a_100000225617_200000148136 [0,1,0,0,0,1|0,0,2]=4 2863 B16R1.979 CC(CCc1ccc(cc1)Cl)N(C)CCO 270004a_100000210263_100011279170 [0,1,0,0,0,1|1,0,1]=4 2864 B16R1.979 CC(CCc1ccc(cc1)F)N(C)CCO 270004a_100000210263_100000743244 [0,1,0,0,0,1|1,0,1]=4 2865 B16R1.979 CC(CCc1ccc(cc1)I)N(C)CCO 270004a_100000210263_100000723691 [0,1,0,0,0,1|1,0,1]=4 2866 B16R1.979 CC(CCc1ccc(cc1)O)N(C)CCO 270004a_100000210263_100000198047 [0,1,0,0,0,1|1,0,1]=4 2867 B16R1.979 CC(COc1ccc(cc1)Cl)N(C)CCO 270004a_100000210263_200000150450 [0,1,0,0,0,1|1,0,1]=4 2868 B16R1.979 CC(CSc1ccc(cc1)Cl)N(C)CCO 270004a_100000210263_100000150472 [0,1,0,0,0,1|1,0,1]=4 2869 B16R1.979 CC(CSc1ccc(cc1)F)N(C)CCO 270004a_100000210263_200000148136 [0,1,0,0,0,1|1,0,1]=4 2870 B16R1.979 CCCN(C)C(C)CCc1ccc(cc1)Cl 270004a_100000747261_100011279170 [0,1,0,0,0,1|0,0,2]=4 2871 B16R1.979 CCCN(C)C(C)CCc1ccc(cc1)F 270004a_100000747261_100000743244 [0,1,0,0,0,1|0,0,2]=4 2872 B16R1.979 CCCN(C)C(C)CCc1ccc(cc1)I 270004a_100000747261_100000723691 [0,1,0,0,0,1|0,0,2]=4 2873 B16R1.979 CCCN(C)C(C)CCc1ccc(cc1)O 270004a_100000747261_100000198047 [0,1,0,0,0,1|0,0,2]=4 2874 B16R1.979 CCCN(C)C(C)COc1ccc(cc1)Cl 270004a_100000747261_200000150450 [0,1,0,0,0,1|0,0,2]=4 2875 B16R1.979 CCCN(C)C(C)CSc1ccc(cc1)C 270004a_100000747261_100000172844 [0,1,0,0,0,1|0,0,2]=4 2876 B16R1.979 CCCN(C)C(C)CSc1ccc(cc1)Cl 270004a_100000747261_100000150472 [0,1,0,0,0,1|0,0,2]=4 2877 B16R1.979 CCCN(C)C(C)CSc1ccc(cc1)F 270004a_100000747261_200000148136 [0,1,0,0,0,1|0,0,2]=4 2878 B16R1.979 Cc1ccc(cc1)SCC(C)N(C)CCO 270004a_100000210263_100000172844 [0,1,0,0,0,1|1,0,1]=4 2879 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)Br 11a_100000225692_100000184314 [0,1,0,0,0,1|1,0,1]=4 2880 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)Br 1626a_100000225692_100000184314 [0,1,0,0,0,1|1,0,1]=4 2881 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)Br 527a_100000225692_100000184314 [0,1,0,0,0,1|1,0,1]=4 2882 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)C 11a_100000225692_100000234952 [0,1,0,0,0,1|1,0,1]=4 2883 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)C 1626a_100000225692_100000234952 [0,1,0,0,0,1|1,0,1]=4 2884 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)C 527a_100000225692_100000234952 [0,1,0,0,0,1|1,0,1]=4 2885 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)Cl 11a_100000225692_100000235675 [0,1,0,0,0,1|1,0,1]=4 2886 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)Cl 1626a_100000225692_100000235675 [0,1,0,0,0,1|1,0,1]=4 2887 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)Cl 527a_100000225692_100000235675 [0,1,0,0,0,1|1,0,1]=4 2888 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)F 11a_100000225692_100000235673 [0,1,0,0,0,1|1,0,1]=4 2889 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)F 1626a_100000225692_100000235673 [0,1,0,0,0,1|1,0,1]=4 2890 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)F 527a_100000225692_100000235673 [0,1,0,0,0,1|1,0,1]=4 2891 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)I 11a_100000225692_100010007846 [0,1,0,0,0,1|1,0,1]=4 2892 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)I 1626a_100000225692_100010007846 [0,1,0,0,0,1|1,0,1]=4 2893 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)I 527a_100000225692_100010007846 [0,1,0,0,0,1|1,0,1]=4 2894 B16R1.980 C#CCN(C)C(=O)CCc1cccc(c1)O 527a_100000225692_100011216126 [0,1,0,0,0,1|1,0,1]=4 2895 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)Br 11a_100000225692_100000182359 [0,1,0,0,0,1|1,0,1]=4 2896 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)Br 1626a_100000225692_100000182359 [0,1,0,0,0,1|1,0,1]=4 2897 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)Br 527a_100000225692_100000182359 [0,1,0,0,0,1|1,0,1]=4 2898 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)C 11a_100000225692_100000183606 [0,1,0,0,0,1|1,0,1]=4 2899 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)C 1626a_100000225692_100000183606 [0,1,0,0,0,1|1,0,1]=4 2900 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)C 527a_100000225692_100000183606 [0,1,0,0,0,1|1,0,1]=4 2901 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)Cl 11a_100000225692_100000184978 [0,1,0,0,0,1|1,0,1]=4 2902 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)Cl 1626a_100000225692_100000184978 [0,1,0,0,0,1|1,0,1]=4 2903 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)Cl 527a_100000225692_100000184978 [0,1,0,0,0,1|1,0,1]=4 2904 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)F 11a_100000225692_100000182781 [0,1,0,0,0,1|1,0,1]=4 2905 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)F 1626a_100000225692_100000182781 [0,1,0,0,0,1|1,0,1]=4 2906 B16R1.980 C#CCN(C)C(=O)COc1cccc(c1)F 527a_100000225692_100000182781 [0,1,0,0,0,1|1,0,1]=4 2907 B16R1.980 C#CCN(C)C(=O)CSc1cccc(c1)Br 11a_100000225692_100000760868 [0,1,0,0,0,1|1,0,1]=4 2908 B16R1.980 C#CCN(C)C(=O)CSc1cccc(c1)Br 1626a_100000225692_100000760868 [0,1,0,0,0,1|1,0,1]=4 2909 B16R1.980 C#CCN(C)C(=O)CSc1cccc(c1)Br 527a_100000225692_100000760868 [0,1,0,0,0,1|1,0,1]=4 2910 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)Br 2708a_100000174977_100000225692 [0,1,0,0,0,1|1,0,1]=4 2911 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)Br 273464a_100000174977_100000225692 [0,1,0,0,0,1|1,0,1]=4 2912 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)C 2708a_100000185548_100000225692 [0,1,0,0,0,1|1,0,1]=4 2913 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)C 273464a_100000185548_100000225692 [0,1,0,0,0,1|1,0,1]=4 2914 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000225692 [0,1,0,0,0,1|1,0,1]=4 2915 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000225692 [0,1,0,0,0,1|1,0,1]=4 2916 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)F 2708a_100000174948_100000225692 [0,1,0,0,0,1|1,0,1]=4 2917 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)F 273464a_100000174948_100000225692 [0,1,0,0,0,1|1,0,1]=4 2918 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)I 2708a_100000106179_100000225692 [0,1,0,0,0,1|1,0,1]=4 2919 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)I 273464a_100000106179_100000225692 [0,1,0,0,0,1|1,0,1]=4 2920 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)O 2708a_100000743036_100000225692 [0,1,0,0,0,1|1,0,1]=4 2921 B16R1.980 C#CCN(C)C(=O)NCc1cccc(c1)O 273464a_100000743036_100000225692 [0,1,0,0,0,1|1,0,1]=4 2922 B16R1.980 C#CCN(C)C(C)CCc1cccc(c1)Br 270004a_100000225692_100011279149 [0,1,0,0,0,1|0,0,0]=2 2923 B16R1.980 C#CCN(C)C(C)CCc1cccc(c1)F 270004a_100000225692_100000743863 [0,1,0,0,0,1|0,0,0]=2 2924 B16R1.980 C=CCN(C)C(C)CCc1cccc(c1)Br 270004a_100000225617_100011279149 [0,1,0,0,0,1|0,0,2]=4 2925 B16R1.980 C=CCN(C)C(C)CCc1cccc(c1)F 270004a_100000225617_100000743863 [0,1,0,0,0,1|0,0,2]=4 2926 B16R1.980 CC(CCc1cccc(c1)Br)N(C)CCO 270004a_100000210263_100011279149 [0,1,0,0,0,1|1,0,1]=4 2927 B16R1.980 CC(CCc1cccc(c1)F)N(C)CCO 270004a_100000210263_100000743863 [0,1,0,0,0,1|1,0,1]=4 2928 B16R1.980 CCCN(C)C(C)CCc1cccc(c1)Br 270004a_100000747261_100011279149 [0,1,0,0,0,1|0,0,2]=4 2929 B16R1.980 CCCN(C)C(C)CCc1cccc(c1)F 270004a_100000747261_100000743863 [0,1,0,0,0,1|0,0,2]=4 2930 B16R1.1516 C#CCCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000753159 [0,1,0,0,0,1|2,0,0]=4 2931 B16R1.1516 C#CCCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000753159 [0,1,0,0,0,1|2,0,0]=4 2932 B16R1.1516 C#CCCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000753159 [0,1,0,0,0,1|2,0,0]=4 2933 B16R1.1516 C#CCNC(=O)C(C)CCc1ccccc1 11a_100000212058_100011435293 [0,1,0,0,0,1|2,0,0]=4 2934 B16R1.1516 C#CCNC(=O)C(C)CCc1ccccc1 1626a_100000212058_100011435293 [0,1,0,0,0,1|2,0,0]=4 2935 B16R1.1516 C#CCNC(=O)C(C)CCc1ccccc1 240690a_100000212058_100011435293 [0,1,0,0,0,1|2,0,0]=4 2936 B16R1.1516 C#CCNC(=O)C(C)CCc1ccccc1 527a_100000212058_100011435293 [0,1,0,0,0,1|2,0,0]=4 2937 B16R1.1516 C#CCNC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000735948 [0,1,0,0,0,1|2,0,0]=4 2938 B16R1.1516 C#CCNC(=O)C(C)NCc1ccccc1 34a_100015324214_100000735948 [0,1,0,0,0,1|2,0,0]=4 2939 B16R1.1516 C#CCNC(=O)C(C)OCc1ccccc1 34a_100000210790_100000735948 [0,1,0,0,0,1|2,0,0]=4 2940 B16R1.1516 C#CCNC(=O)C(C)OCc1ccccc1 7a_100000210790_100000735948 [0,1,0,0,0,1|2,0,0]=4 2941 B16R1.1516 C#CCNC(=O)C(C)SCc1ccccc1 11a_100000212058_100000149570 [0,1,0,0,0,1|2,0,0]=4 2942 B16R1.1516 C#CCNC(=O)C(C)SCc1ccccc1 1626a_100000212058_100000149570 [0,1,0,0,0,1|2,0,0]=4 2943 B16R1.1516 C#CCNC(=O)C(C)SCc1ccccc1 240690a_100000212058_100000149570 [0,1,0,0,0,1|2,0,0]=4 2944 B16R1.1516 C#CCNC(=O)C(C)SCc1ccccc1 527a_100000212058_100000149570 [0,1,0,0,0,1|2,0,0]=4 2945 B16R1.1516 C#CCNC(=O)C(C)SCc1ccccc1 62a_100000211182_100000735948 [0,1,0,0,0,1|2,0,0]=4 2946 B16R1.1516 C#CCNC(=O)C(C)SCc1ccccc1 62a_100000735948_100015291786 [0,1,0,0,0,1|2,0,0]=4 2947 B16R1.1516 C#CCNC(=O)[C@H](C)OCc1ccccc1 11a_100000212058_100000703211 [0,1,0,0,0,1|2,0,0]=4 2948 B16R1.1516 C#CCNC(=O)[C@H](C)OCc1ccccc1 1626a_100000212058_100000703211 [0,1,0,0,0,1|2,0,0]=4 2949 B16R1.1516 C#CCNC(=O)[C@H](C)OCc1ccccc1 240690a_100000212058_100000703211 [0,1,0,0,0,1|2,0,0]=4 2950 B16R1.1516 C#CCNC(=O)[C@H](C)OCc1ccccc1 527a_100000212058_100000703211 [0,1,0,0,0,1|2,0,0]=4 2951 B16R1.1516 C=CCCN(C)C(C)CCc1ccccc1 270004a_100020639649_100000210092 [0,1,0,0,0,1|0,0,2]=4 2952 B16R1.1516 C=CCCN(C)C(C)COc1ccccc1 270004a_100020639649_100000150576 [0,1,0,0,0,1|0,0,2]=4 2953 B16R1.1516 C=CCCN(C)C(C)CSc1ccccc1 270004a_100020639649_100000150717 [0,1,0,0,0,1|0,0,2]=4 2954 B16R1.1516 CC#CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000748600 [0,1,0,0,0,1|2,0,0]=4 2955 B16R1.1516 CC#CCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000748600 [0,1,0,0,0,1|2,0,0]=4 2956 B16R1.1516 CC#CCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000748600 [0,1,0,0,0,1|2,0,0]=4 2957 B16R1.1516 CC(CCc1ccccc1)N(C)CCC#N 270004a_100000184479_100000210092 [0,1,0,0,0,1|0,0,1]=3 2958 B16R1.1516 CC(CCc1ccccc1)N(C)CCCO 270004a_100000213112_100000210092 [0,1,0,0,0,1|0,0,2]=4 2959 B16R1.1516 CC(COc1ccccc1)N(C)CCC#N 270004a_100000184479_100000150576 [0,1,0,0,0,1|0,0,1]=3 2960 B16R1.1516 CC(COc1ccccc1)N(C)CCCO 270004a_100000213112_100000150576 [0,1,0,0,0,1|0,0,2]=4 2961 B16R1.1516 CC(CSc1ccccc1)N(C)CCC#N 270004a_100000184479_100000150717 [0,1,0,0,0,1|0,0,1]=3 2962 B16R1.1516 CC(CSc1ccccc1)N(C)CCCO 270004a_100000213112_100000150717 [0,1,0,0,0,1|0,0,2]=4 2963 B16R1.1516 CCCCN(C)C(C)CCc1ccccc1 270004a_100000207549_100000210092 [0,1,0,0,0,1|0,0,2]=4 2964 B16R1.1516 CCCCN(C)C(C)COc1ccccc1 270004a_100000207549_100000150576 [0,1,0,0,0,1|0,0,2]=4 2965 B16R1.1516 CCCCN(C)C(C)CSc1ccccc1 270004a_100000207549_100000150717 [0,1,0,0,0,1|0,0,2]=4 2966 B16R1.1516 COCCN(C)C(C)CCc1ccccc1 270004a_100000743101_100000210092 [0,1,0,0,0,1|0,0,2]=4 2967 B16R1.1516 COCCN(C)C(C)COc1ccccc1 270004a_100000743101_100000150576 [0,1,0,0,0,1|0,0,2]=4 2968 B16R1.1516 COCCN(C)C(C)CSc1ccccc1 270004a_100000743101_100000150717 [0,1,0,0,0,1|0,0,2]=4 2969 B16R1.1516 CSCCN(C)C(C)CCc1ccccc1 270004a_100000686725_100000210092 [0,1,0,0,0,1|0,0,2]=4 2970 B16R1.1516 CSCCN(C)C(C)COc1ccccc1 270004a_100000686725_100000150576 [0,1,0,0,0,1|0,0,2]=4 2971 B16R1.1516 CSCCN(C)C(C)CSc1ccccc1 270004a_100000686725_100000150717 [0,1,0,0,0,1|0,0,2]=4 2972 B16R1.1672 C#CC(C)C(=O)C(C)CCc1ccccc1 1458a_100011435293_200000035995 [0,1,0,0,0,1|2,0,0]=4 2973 B16R1.1672 C#CC(C)C(=O)C(C)SCc1ccccc1 1458a_100000149570_200000035995 [0,1,0,0,0,1|2,0,0]=4 2974 B16R1.1672 C#CC(C)C(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000035995 [0,1,0,0,0,1|2,0,0]=4 2975 B16R1.1672 CC(C#N)N(C)C(C)CCc1ccccc1 270004a_100000745055_100000210092 [0,1,0,0,0,1|1,0,0]=3 2976 B16R1.1672 CC(C#N)N(C)C(C)COc1ccccc1 270004a_100000745055_100000150576 [0,1,0,0,0,1|1,0,0]=3 2977 B16R1.1672 CC(C#N)N(C)C(C)CSc1ccccc1 270004a_100000745055_100000150717 [0,1,0,0,0,1|1,0,0]=3 2978 B16R1.1672 CC(CO)N(C)C(C)CCc1ccccc1 270004a_100000693034_100000210092 [0,1,0,0,0,1|1,0,1]=4 2979 B16R1.1672 CC(CO)N(C)C(C)COc1ccccc1 270004a_100000693034_100000150576 [0,1,0,0,0,1|1,0,1]=4 2980 B16R1.1672 CC(CO)N(C)C(C)CSc1ccccc1 270004a_100000693034_100000150717 [0,1,0,0,0,1|1,0,1]=4 2981 B16R1.1672 CCC(C)N(C)C(C)CCc1ccccc1 270004a_100000741768_100000210092 [0,1,0,0,0,1|0,0,2]=4 2982 B16R1.1672 CCC(C)N(C)C(C)COc1ccccc1 270004a_100000741768_100000150576 [0,1,0,0,0,1|0,0,2]=4 2983 B16R1.1672 CCC(C)N(C)C(C)CSc1ccccc1 270004a_100000741768_100000150717 [0,1,0,0,0,1|0,0,2]=4 2984 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1Br 11a_100000225692_100000740810 [0,1,0,0,0,1|1,0,1]=4 2985 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1Br 1626a_100000225692_100000740810 [0,1,0,0,0,1|1,0,1]=4 2986 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1Br 527a_100000225692_100000740810 [0,1,0,0,0,1|1,0,1]=4 2987 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1C 11a_100000225692_100000748742 [0,1,0,0,0,1|1,0,1]=4 2988 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1C 1626a_100000225692_100000748742 [0,1,0,0,0,1|1,0,1]=4 2989 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1C 527a_100000225692_100000748742 [0,1,0,0,0,1|1,0,1]=4 2990 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1Cl 11a_100000225692_100000184300 [0,1,0,0,0,1|1,0,1]=4 2991 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1Cl 1626a_100000225692_100000184300 [0,1,0,0,0,1|1,0,1]=4 2992 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1Cl 527a_100000225692_100000184300 [0,1,0,0,0,1|1,0,1]=4 2993 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1F 11a_100000225692_100000189703 [0,1,0,0,0,1|1,0,1]=4 2994 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1F 1626a_100000225692_100000189703 [0,1,0,0,0,1|1,0,1]=4 2995 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1F 527a_100000225692_100000189703 [0,1,0,0,0,1|1,0,1]=4 2996 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1I 11a_100000225692_100000037306 [0,1,0,0,0,1|1,0,1]=4 2997 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1I 1626a_100000225692_100000037306 [0,1,0,0,0,1|1,0,1]=4 2998 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1I 527a_100000225692_100000037306 [0,1,0,0,0,1|1,0,1]=4 2999 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1O 11a_100000225692_100000181328 [0,1,0,0,0,1|1,0,1]=4 3000 B16R1.4553 C#CCN(C)C(=O)CCc1ccccc1O 527a_100000225692_100000181328 [0,1,0,0,0,1|1,0,1]=4 3001 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1Br 11a_100000225692_100000216496 [0,1,0,0,0,1|1,0,1]=4 3002 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1Br 1626a_100000225692_100000216496 [0,1,0,0,0,1|1,0,1]=4 3003 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1Br 527a_100000225692_100000216496 [0,1,0,0,0,1|1,0,1]=4 3004 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1C 11a_100000225692_100000182418 [0,1,0,0,0,1|1,0,1]=4 3005 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1C 1626a_100000225692_100000182418 [0,1,0,0,0,1|1,0,1]=4 3006 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1C 527a_100000225692_100000182418 [0,1,0,0,0,1|1,0,1]=4 3007 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1Cl 11a_100000225692_100000185159 [0,1,0,0,0,1|1,0,1]=4 3008 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1Cl 1626a_100000225692_100000185159 [0,1,0,0,0,1|1,0,1]=4 3009 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1Cl 527a_100000225692_100000185159 [0,1,0,0,0,1|1,0,1]=4 3010 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1F 11a_100000225692_100000182486 [0,1,0,0,0,1|1,0,1]=4 3011 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1F 1626a_100000225692_100000182486 [0,1,0,0,0,1|1,0,1]=4 3012 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1F 527a_100000225692_100000182486 [0,1,0,0,0,1|1,0,1]=4 3013 B16R1.4553 C#CCN(C)C(=O)COc1ccccc1O 527a_100000225692_100000183020 [0,1,0,0,0,1|1,0,1]=4 3014 B16R1.4553 C#CCN(C)C(=O)CSc1ccccc1C 11a_100000225692_100000183026 [0,1,0,0,0,1|1,0,1]=4 3015 B16R1.4553 C#CCN(C)C(=O)CSc1ccccc1C 1626a_100000225692_100000183026 [0,1,0,0,0,1|1,0,1]=4 3016 B16R1.4553 C#CCN(C)C(=O)CSc1ccccc1C 527a_100000225692_100000183026 [0,1,0,0,0,1|1,0,1]=4 3017 B16R1.4553 C#CCN(C)C(=O)CSc1ccccc1F 11a_100000225692_100000179528 [0,1,0,0,0,1|1,0,1]=4 3018 B16R1.4553 C#CCN(C)C(=O)CSc1ccccc1F 1626a_100000225692_100000179528 [0,1,0,0,0,1|1,0,1]=4 3019 B16R1.4553 C#CCN(C)C(=O)CSc1ccccc1O 527a_100000225692_100000695322 [0,1,0,0,0,1|1,0,1]=4 3020 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1Br 2708a_100000689332_100000225692 [0,1,0,0,0,1|1,0,1]=4 3021 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1Br 273464a_100000689332_100000225692 [0,1,0,0,0,1|1,0,1]=4 3022 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1C 2708a_100000174972_100000225692 [0,1,0,0,0,1|1,0,1]=4 3023 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1C 273464a_100000174972_100000225692 [0,1,0,0,0,1|1,0,1]=4 3024 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1Cl 2708a_100000174879_100000225692 [0,1,0,0,0,1|1,0,1]=4 3025 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1Cl 273464a_100000174879_100000225692 [0,1,0,0,0,1|1,0,1]=4 3026 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1F 2708a_100000174869_100000225692 [0,1,0,0,0,1|1,0,1]=4 3027 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1F 273464a_100000174869_100000225692 [0,1,0,0,0,1|1,0,1]=4 3028 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1I 2708a_100015347259_100000225692 [0,1,0,0,0,1|1,0,1]=4 3029 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1I 273464a_100015347259_100000225692 [0,1,0,0,0,1|1,0,1]=4 3030 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1O 2708a_100000185550_100000225692 [0,1,0,0,0,1|1,0,1]=4 3031 B16R1.4553 C#CCN(C)C(=O)NCc1ccccc1O 273464a_100000185550_100000225692 [0,1,0,0,0,1|1,0,1]=4 3032 B16R1.6944 C=C(C)CN(C)C(C)CCc1ccccc1 270004a_100000225649_100000210092 [0,1,0,0,0,1|0,0,2]=4 3033 B16R1.6944 C=C(C)CN(C)C(C)COc1ccccc1 270004a_100000225649_100000150576 [0,1,0,0,0,1|0,0,2]=4 3034 B16R1.6944 C=C(C)CN(C)C(C)CSc1ccccc1 270004a_100000225649_100000150717 [0,1,0,0,0,1|0,0,2]=4 3035 B16R1.6944 CC(C)CN(C)C(C)CCc1ccccc1 270004a_100000747067_100000210092 [0,1,0,0,0,1|0,0,2]=4 3036 B16R1.6944 CC(C)CN(C)C(C)COc1ccccc1 270004a_100000747067_100000150576 [0,1,0,0,0,1|0,0,2]=4 3037 B16R1.6944 CC(C)CN(C)C(C)CSc1ccccc1 270004a_100000747067_100000150717 [0,1,0,0,0,1|0,0,2]=4 3038 B16R1.6944 CC(CCc1ccccc1)N(C)CC(=O)N 270004a_100000739694_100000210092 [0,1,0,0,0,1|1,0,1]=4 3039 B16R1.6944 CC(COc1ccccc1)N(C)CC(=O)N 270004a_100000739694_100000150576 [0,1,0,0,0,1|1,0,1]=4 3040 B16R1.6944 CC(CSc1ccccc1)N(C)CC(=O)N 270004a_100000739694_100000150717 [0,1,0,0,0,1|1,0,1]=4 3041 B16R1.6944 CC(O)CN(C)C(C)CCc1ccccc1 270004a_100000227577_100000210092 [0,1,0,0,0,1|0,0,2]=4 3042 B16R1.6944 CC(O)CN(C)C(C)COc1ccccc1 270004a_100000227577_100000150576 [0,1,0,0,0,1|0,0,2]=4 3043 B16R1.6944 CC(O)CN(C)C(C)CSc1ccccc1 270004a_100000227577_100000150717 [0,1,0,0,0,1|0,0,2]=4 3044 B16R1.15344 C#CCC(=O)C(C)(C)SCc1ccccc1 1458a_100011459008_100000184674 [0,1,0,0,0,1|2,0,0]=4 3045 B16R1.15344 C#CCN(C)S(=O)(=O)CCc1ccccc1 274078a_100000225692_100000738789 [0,1,0,0,0,1|2,0,0]=4 3046 B16R1.658 C#CCCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000753159 [0,2,0,0,0,0|2,0,0]=4 3047 B16R1.658 C#CCCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000753159 [0,2,0,0,0,0|2,0,0]=4 3048 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)Br 11a_100000212058_100000695199 [0,2,0,0,0,0|2,0,0]=4 3049 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)Br 1626a_100000212058_100000695199 [0,2,0,0,0,0|2,0,0]=4 3050 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)Br 240690a_100000212058_100000695199 [0,2,0,0,0,0|2,0,0]=4 3051 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)Br 527a_100000212058_100000695199 [0,2,0,0,0,0|2,0,0]=4 3052 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)F 11a_100000212058_100000746122 [0,2,0,0,0,0|2,0,0]=4 3053 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)F 1626a_100000212058_100000746122 [0,2,0,0,0,0|2,0,0]=4 3054 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)F 240690a_100000212058_100000746122 [0,2,0,0,0,0|2,0,0]=4 3055 B16R1.658 C#CCNC(=O)C(C)Cc1ccc(cc1)F 527a_100000212058_100000746122 [0,2,0,0,0,0|2,0,0]=4 3056 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100020639649_100000691760 [0,2,0,0,0,0|0,0,2]=4 3057 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)C 270004a_100020639649_100000751045 [0,2,0,0,0,0|0,0,2]=4 3058 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100020639649_100000747806 [0,2,0,0,0,0|0,0,2]=4 3059 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)F 270004a_100020639649_100000745281 [0,2,0,0,0,0|0,0,2]=4 3060 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)O 270004a_100020639649_100011218180 [0,2,0,0,0,0|0,0,2]=4 3061 B16R1.658 CC#CCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000748600 [0,2,0,0,0,0|2,0,0]=4 3062 B16R1.658 CC#CCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000748600 [0,2,0,0,0,0|2,0,0]=4 3063 B16R1.658 CC(Cc1ccc(cc1)Br)N(C)CCC#N 270004a_100000184479_100000691760 [0,2,0,0,0,0|0,0,1]=3 3064 B16R1.658 CC(Cc1ccc(cc1)Br)N(C)CCCO 270004a_100000213112_100000691760 [0,2,0,0,0,0|0,0,2]=4 3065 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCC#N 270004a_100000184479_100000747806 [0,2,0,0,0,0|0,0,1]=3 3066 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCCO 270004a_100000213112_100000747806 [0,2,0,0,0,0|0,0,2]=4 3067 B16R1.658 CC(Cc1ccc(cc1)F)N(C)CCC#N 270004a_100000184479_100000745281 [0,2,0,0,0,0|0,0,1]=3 3068 B16R1.658 CC(Cc1ccc(cc1)F)N(C)CCCO 270004a_100000213112_100000745281 [0,2,0,0,0,0|0,0,2]=4 3069 B16R1.658 CC(Cc1ccc(cc1)O)N(C)CCC#N 270004a_100000184479_100011218180 [0,2,0,0,0,0|0,0,1]=3 3070 B16R1.658 CC(Cc1ccc(cc1)O)N(C)CCCO 270004a_100000213112_100011218180 [0,2,0,0,0,0|0,0,2]=4 3071 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000207549_100000691760 [0,2,0,0,0,0|0,0,2]=4 3072 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000207549_100000751045 [0,2,0,0,0,0|0,0,2]=4 3073 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000207549_100000747806 [0,2,0,0,0,0|0,0,2]=4 3074 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000207549_100000745281 [0,2,0,0,0,0|0,0,2]=4 3075 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000207549_100011218180 [0,2,0,0,0,0|0,0,2]=4 3076 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000743101_100000691760 [0,2,0,0,0,0|0,0,2]=4 3077 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000743101_100000751045 [0,2,0,0,0,0|0,0,2]=4 3078 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000743101_100000747806 [0,2,0,0,0,0|0,0,2]=4 3079 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000743101_100000745281 [0,2,0,0,0,0|0,0,2]=4 3080 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000743101_100011218180 [0,2,0,0,0,0|0,0,2]=4 3081 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000686725_100000691760 [0,2,0,0,0,0|0,0,2]=4 3082 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000686725_100000751045 [0,2,0,0,0,0|0,0,2]=4 3083 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000686725_100000747806 [0,2,0,0,0,0|0,0,2]=4 3084 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000686725_100000745281 [0,2,0,0,0,0|0,0,2]=4 3085 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000686725_100011218180 [0,2,0,0,0,0|0,0,2]=4 3086 B16R1.658 Cc1ccc(cc1)CC(C)N(C)CCC#N 270004a_100000184479_100000751045 [0,2,0,0,0,0|0,0,1]=3 3087 B16R1.658 Cc1ccc(cc1)CC(C)N(C)CCCO 270004a_100000213112_100000751045 [0,2,0,0,0,0|0,0,2]=4 3088 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)C 11a_100000225692_100000751627 [0,2,0,0,0,0|1,0,1]=4 3089 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)C 1626a_100000225692_100000751627 [0,2,0,0,0,0|1,0,1]=4 3090 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)C 527a_100000225692_100000751627 [0,2,0,0,0,0|1,0,1]=4 3091 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)Cl 11a_100000225692_100011216001 [0,2,0,0,0,0|1,0,1]=4 3092 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)Cl 1626a_100000225692_100011216001 [0,2,0,0,0,0|1,0,1]=4 3093 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)Cl 527a_100000225692_100011216001 [0,2,0,0,0,0|1,0,1]=4 3094 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)F 11a_100000225692_100011435297 [0,2,0,0,0,0|1,0,1]=4 3095 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)F 1626a_100000225692_100011435297 [0,2,0,0,0,0|1,0,1]=4 3096 B16R1.685 C#CCN(C)C(=O)C(C)c1ccc(cc1)F 527a_100000225692_100011435297 [0,2,0,0,0,0|1,0,1]=4 3097 B16R1.685 C#CCN(C)C(=O)C(F)c1ccc(cc1)Cl 11a_100000225692_100012277543 [0,2,0,0,0,0|1,0,1]=4 3098 B16R1.685 C#CCN(C)C(=O)C(F)c1ccc(cc1)Cl 1626a_100000225692_100012277543 [0,2,0,0,0,0|1,0,1]=4 3099 B16R1.685 C#CCN(C)C(=O)C(F)c1ccc(cc1)Cl 527a_100000225692_100012277543 [0,2,0,0,0,0|1,0,1]=4 3100 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)Br 2230a_100000225692_100000184162 [0,2,0,0,0,0|0,0,1]=3 3101 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)Br 34a_100000225692_100000184162 [0,2,0,0,0,0|0,0,1]=3 3102 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)C 2230a_100000225692_100000726416 [0,2,0,0,0,0|0,0,1]=3 3103 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)C 34a_100000225692_100000726416 [0,2,0,0,0,0|0,0,1]=3 3104 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)Cl 2230a_100000225692_100000183210 [0,2,0,0,0,0|0,0,1]=3 3105 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)F 2230a_100000225692_100000229918 [0,2,0,0,0,0|0,0,1]=3 3106 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)F 34a_100000225692_100000229918 [0,2,0,0,0,0|0,0,1]=3 3107 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)O 2230a_100000225692_200010205864 [0,2,0,0,0,0|0,0,1]=3 3108 B16R1.685 C#CCN(C)C(C)C(=O)c1ccc(cc1)O 34a_100000225692_200010205864 [0,2,0,0,0,0|0,0,1]=3 3109 B16R1.685 CC(C(=O)c1ccc(cc1)Br)N(C)CC#N 2230a_100000748184_100000184162 [0,2,0,0,0,0|1,0,1]=4 3110 B16R1.685 CC(C(=O)c1ccc(cc1)Cl)N(C)CC#N 2230a_100000748184_100000183210 [0,2,0,0,0,0|1,0,1]=4 3111 B16R1.685 CC(C(=O)c1ccc(cc1)F)N(C)CC#N 2230a_100000748184_100000229918 [0,2,0,0,0,0|1,0,1]=4 3112 B16R1.685 CC(C(=O)c1ccc(cc1)O)N(C)CC#N 2230a_100000748184_200010205864 [0,2,0,0,0,0|1,0,1]=4 3113 B16R1.685 Cc1ccc(cc1)C(=O)C(C)N(C)CC#N 2230a_100000748184_100000726416 [0,2,0,0,0,0|1,0,1]=4 3114 B16R1.743 C#CCN(C)C(C#N)Cc1ccc(cc1)C 34a_100000225692_100000697087 [0,2,0,0,0,0|0,0,1]=3 3115 B16R1.1065 C=C(C)CN(C)C(C)Cc1ccc(cc1)Br 270004a_100000225649_100000691760 [0,2,0,0,0,0|0,0,2]=4 3116 B16R1.1065 C=C(C)CN(C)C(C)Cc1ccc(cc1)C 270004a_100000225649_100000751045 [0,2,0,0,0,0|0,0,2]=4 3117 B16R1.1065 C=C(C)CN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000225649_100000747806 [0,2,0,0,0,0|0,0,2]=4 3118 B16R1.1065 C=C(C)CN(C)C(C)Cc1ccc(cc1)F 270004a_100000225649_100000745281 [0,2,0,0,0,0|0,0,2]=4 3119 B16R1.1065 C=C(C)CN(C)C(C)Cc1ccc(cc1)O 270004a_100000225649_100011218180 [0,2,0,0,0,0|0,0,2]=4 3120 B16R1.1065 CC(C)CN(C)C(C)Cc1ccc(cc1)Br 270004a_100000747067_100000691760 [0,2,0,0,0,0|0,0,2]=4 3121 B16R1.1065 CC(C)CN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000747067_100000747806 [0,2,0,0,0,0|0,0,2]=4 3122 B16R1.1065 CC(C)CN(C)C(C)Cc1ccc(cc1)F 270004a_100000747067_100000745281 [0,2,0,0,0,0|0,0,2]=4 3123 B16R1.1065 CC(C)CN(C)C(C)Cc1ccc(cc1)O 270004a_100000747067_100011218180 [0,2,0,0,0,0|0,0,2]=4 3124 B16R1.1065 CC(Cc1ccc(cc1)Br)N(C)CC(=O)N 270004a_100000739694_100000691760 [0,2,0,0,0,0|1,0,1]=4 3125 B16R1.1065 CC(Cc1ccc(cc1)Cl)N(C)CC(=O)N 270004a_100000739694_100000747806 [0,2,0,0,0,0|1,0,1]=4 3126 B16R1.1065 CC(Cc1ccc(cc1)F)N(C)CC(=O)N 270004a_100000739694_100000745281 [0,2,0,0,0,0|1,0,1]=4 3127 B16R1.1065 CC(Cc1ccc(cc1)O)N(C)CC(=O)N 270004a_100000739694_100011218180 [0,2,0,0,0,0|1,0,1]=4 3128 B16R1.1065 CC(O)CN(C)C(C)Cc1ccc(cc1)Br 270004a_100000227577_100000691760 [0,2,0,0,0,0|0,0,2]=4 3129 B16R1.1065 CC(O)CN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000227577_100000747806 [0,2,0,0,0,0|0,0,2]=4 3130 B16R1.1065 CC(O)CN(C)C(C)Cc1ccc(cc1)F 270004a_100000227577_100000745281 [0,2,0,0,0,0|0,0,2]=4 3131 B16R1.1065 CC(O)CN(C)C(C)Cc1ccc(cc1)O 270004a_100000227577_100011218180 [0,2,0,0,0,0|0,0,2]=4 3132 B16R1.1065 Cc1ccc(cc1)CC(C)N(C)CC(=O)N 270004a_100000739694_100000751045 [0,2,0,0,0,0|1,0,1]=4 3133 B16R1.1065 Cc1ccc(cc1)CC(C)N(C)CC(C)C 270004a_100000747067_100000751045 [0,2,0,0,0,0|0,0,2]=4 3134 B16R1.1065 Cc1ccc(cc1)CC(C)N(C)CC(C)O 270004a_100000227577_100000751045 [0,2,0,0,0,0|0,0,2]=4 3135 B16R1.1159 C#CC(C)C(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000035995 [0,2,0,0,0,0|2,0,0]=4 3136 B16R1.1159 C#CC(C)C(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000035995 [0,2,0,0,0,0|2,0,0]=4 3137 B16R1.1159 CC(C#N)N(C)C(C)Cc1ccc(cc1)Br 270004a_100000745055_100000691760 [0,2,0,0,0,0|1,0,0]=3 3138 B16R1.1159 CC(C#N)N(C)C(C)Cc1ccc(cc1)Cl 270004a_100000745055_100000747806 [0,2,0,0,0,0|1,0,0]=3 3139 B16R1.1159 CC(C#N)N(C)C(C)Cc1ccc(cc1)F 270004a_100000745055_100000745281 [0,2,0,0,0,0|1,0,0]=3 3140 B16R1.1159 CC(C#N)N(C)C(C)Cc1ccc(cc1)O 270004a_100000745055_100011218180 [0,2,0,0,0,0|1,0,0]=3 3141 B16R1.1159 CC(CO)N(C)C(C)Cc1ccc(cc1)Br 270004a_100000693034_100000691760 [0,2,0,0,0,0|1,0,1]=4 3142 B16R1.1159 CC(CO)N(C)C(C)Cc1ccc(cc1)Cl 270004a_100000693034_100000747806 [0,2,0,0,0,0|1,0,1]=4 3143 B16R1.1159 CC(CO)N(C)C(C)Cc1ccc(cc1)F 270004a_100000693034_100000745281 [0,2,0,0,0,0|1,0,1]=4 3144 B16R1.1159 CC(CO)N(C)C(C)Cc1ccc(cc1)O 270004a_100000693034_100011218180 [0,2,0,0,0,0|1,0,1]=4 3145 B16R1.1159 CCC(C)N(C)C(C)Cc1ccc(cc1)Br 270004a_100000741768_100000691760 [0,2,0,0,0,0|0,0,2]=4 3146 B16R1.1159 CCC(C)N(C)C(C)Cc1ccc(cc1)C 270004a_100000741768_100000751045 [0,2,0,0,0,0|0,0,2]=4 3147 B16R1.1159 CCC(C)N(C)C(C)Cc1ccc(cc1)Cl 270004a_100000741768_100000747806 [0,2,0,0,0,0|0,0,2]=4 3148 B16R1.1159 CCC(C)N(C)C(C)Cc1ccc(cc1)F 270004a_100000741768_100000745281 [0,2,0,0,0,0|0,0,2]=4 3149 B16R1.1159 CCC(C)N(C)C(C)Cc1ccc(cc1)O 270004a_100000741768_100011218180 [0,2,0,0,0,0|0,0,2]=4 3150 B16R1.1159 Cc1ccc(cc1)CC(C)N(C)C(C)C#N 270004a_100000745055_100000751045 [0,2,0,0,0,0|1,0,0]=3 3151 B16R1.1159 Cc1ccc(cc1)CC(C)N(C)C(C)CO 270004a_100000693034_100000751045 [0,2,0,0,0,0|1,0,1]=4 3152 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)Br 11a_100000744766_100000198978 [0,2,0,0,0,0|1,0,1]=4 3153 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)Br 240690a_100000744766_100000198978 [0,2,0,0,0,0|1,0,1]=4 3154 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)Br 527a_100000744766_100000198978 [0,2,0,0,0,0|1,0,1]=4 3155 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)C 11a_100000744766_100000212244 [0,2,0,0,0,0|1,0,1]=4 3156 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)C 240690a_100000744766_100000212244 [0,2,0,0,0,0|1,0,1]=4 3157 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)C 527a_100000744766_100000212244 [0,2,0,0,0,0|1,0,1]=4 3158 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)Cl 11a_100000744766_100000211027 [0,2,0,0,0,0|1,0,1]=4 3159 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)Cl 240690a_100000744766_100000211027 [0,2,0,0,0,0|1,0,1]=4 3160 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)Cl 527a_100000744766_100000211027 [0,2,0,0,0,0|1,0,1]=4 3161 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)F 11a_100000744766_100000210951 [0,2,0,0,0,0|1,0,1]=4 3162 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)F 1626a_100000744766_100000210951 [0,2,0,0,0,0|1,0,1]=4 3163 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)F 240690a_100000744766_100000210951 [0,2,0,0,0,0|1,0,1]=4 3164 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)F 527a_100000744766_100000210951 [0,2,0,0,0,0|1,0,1]=4 3165 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)I 11a_100000744766_100000688869 [0,2,0,0,0,0|1,0,1]=4 3166 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)I 1626a_100000744766_100000688869 [0,2,0,0,0,0|1,0,1]=4 3167 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)I 240690a_100000744766_100000688869 [0,2,0,0,0,0|1,0,1]=4 3168 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)I 527a_100000744766_100000688869 [0,2,0,0,0,0|1,0,1]=4 3169 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)O 1626a_100000744766_100000198540 [0,2,0,0,0,0|1,0,1]=4 3170 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)O 240690a_100000744766_100000198540 [0,2,0,0,0,0|1,0,1]=4 3171 B16R1.1576 C#CCN(CC)C(=O)Cc1ccc(cc1)O 527a_100000744766_100000198540 [0,2,0,0,0,0|1,0,1]=4 3172 B16R1.1576 C#CCN(CC)C(C)Cc1ccc(cc1)Br 270004a_100000744766_100000691760 [0,2,0,0,0,0|0,0,0]=2 3173 B16R1.1576 C#CCN(CC)C(C)Cc1ccc(cc1)C 270004a_100000744766_100000751045 [0,2,0,0,0,0|0,0,0]=2 3174 B16R1.1576 C#CCN(CC)C(C)Cc1ccc(cc1)Cl 270004a_100000744766_100000747806 [0,2,0,0,0,0|0,0,0]=2 3175 B16R1.1576 C#CCN(CC)C(C)Cc1ccc(cc1)F 270004a_100000744766_100000745281 [0,2,0,0,0,0|0,0,0]=2 3176 B16R1.1576 C#CCN(CC)C(C)Cc1ccc(cc1)O 270004a_100000744766_100011218180 [0,2,0,0,0,0|0,0,0]=2 3177 B16R1.1576 CCCN(CC)C(C)Cc1ccc(cc1)Br 270004a_100000226822_100000691760 [0,2,0,0,0,0|0,0,2]=4 3178 B16R1.1576 CCCN(CC)C(C)Cc1ccc(cc1)C 270004a_100000226822_100000751045 [0,2,0,0,0,0|0,0,2]=4 3179 B16R1.1576 CCCN(CC)C(C)Cc1ccc(cc1)Cl 270004a_100000226822_100000747806 [0,2,0,0,0,0|0,0,2]=4 3180 B16R1.1576 CCCN(CC)C(C)Cc1ccc(cc1)F 270004a_100000226822_100000745281 [0,2,0,0,0,0|0,0,2]=4 3181 B16R1.1576 CCCN(CC)C(C)Cc1ccc(cc1)O 270004a_100000226822_100011218180 [0,2,0,0,0,0|0,0,2]=4 3182 B16R1.1576 CCN(CCO)C(C)Cc1ccc(cc1)Br 270004a_100000210973_100000691760 [0,2,0,0,0,0|1,0,1]=4 3183 B16R1.1576 CCN(CCO)C(C)Cc1ccc(cc1)C 270004a_100000210973_100000751045 [0,2,0,0,0,0|1,0,1]=4 3184 B16R1.1576 CCN(CCO)C(C)Cc1ccc(cc1)Cl 270004a_100000210973_100000747806 [0,2,0,0,0,0|1,0,1]=4 3185 B16R1.1576 CCN(CCO)C(C)Cc1ccc(cc1)F 270004a_100000210973_100000745281 [0,2,0,0,0,0|1,0,1]=4 3186 B16R1.1576 CCN(CCO)C(C)Cc1ccc(cc1)O 270004a_100000210973_100011218180 [0,2,0,0,0,0|1,0,1]=4 3187 B16R1.4958 C#CCC(=O)C(C)Cc1ccc(cc1)C#N 1458a_200000109623_100000184674 [0,2,0,0,0,0|2,0,0]=4 3188 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)C#C 11a_100000225692_200009884166 [0,2,0,0,0,0|1,0,1]=4 3189 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)C#C 1626a_100000225692_200009884166 [0,2,0,0,0,0|1,0,1]=4 3190 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)C#C 527a_100000225692_200009884166 [0,2,0,0,0,0|1,0,1]=4 3191 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)C#N 11a_100000225692_100000748677 [0,2,0,0,0,0|1,0,1]=4 3192 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)C#N 1626a_100000225692_100000748677 [0,2,0,0,0,0|1,0,1]=4 3193 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)C#N 527a_100000225692_100000748677 [0,2,0,0,0,0|1,0,1]=4 3194 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)CC 11a_100000225692_200000759805 [0,2,0,0,0,0|1,0,1]=4 3195 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)CC 1626a_100000225692_200000759805 [0,2,0,0,0,0|1,0,1]=4 3196 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)CC 527a_100000225692_200000759805 [0,2,0,0,0,0|1,0,1]=4 3197 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)OC 11a_100000225692_100000210706 [0,2,0,0,0,0|1,0,1]=4 3198 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)OC 527a_100000225692_100000210706 [0,2,0,0,0,0|1,0,1]=4 3199 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)SC 11a_100000225692_100000756958 [0,2,0,0,0,0|1,0,1]=4 3200 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)SC 1626a_100000225692_100000756958 [0,2,0,0,0,0|1,0,1]=4 3201 B16R1.4958 C#CCN(C)C(=O)Cc1ccc(cc1)SC 527a_100000225692_100000756958 [0,2,0,0,0,0|1,0,1]=4 3202 B16R1.4958 C#CCN(C)C(C)Cc1ccc(cc1)C#N 270004a_100000225692_200011996569 [0,2,0,0,0,0|0,0,0]=2 3203 B16R1.4958 C#CCN(C)C(C)Cc1ccc(cc1)OC 270004a_100000225692_100000211147 [0,2,0,0,0,0|0,0,0]=2 3204 B16R1.4958 C=CCN(C)C(C)Cc1ccc(cc1)C#N 270004a_100000225617_200011996569 [0,2,0,0,0,0|0,0,2]=4 3205 B16R1.4958 C=CCN(C)C(C)Cc1ccc(cc1)OC 270004a_100000225617_100000211147 [0,2,0,0,0,0|0,0,2]=4 3206 B16R1.4958 CC(Cc1ccc(cc1)C#N)N(C)CCO 270004a_100000210263_200011996569 [0,2,0,0,0,0|1,0,1]=4 3207 B16R1.4958 CCCN(C)C(C)Cc1ccc(cc1)C#N 270004a_100000747261_200011996569 [0,2,0,0,0,0|0,0,2]=4 3208 B16R1.4958 CCCN(C)C(C)Cc1ccc(cc1)OC 270004a_100000747261_100000211147 [0,2,0,0,0,0|0,0,2]=4 3209 B16R1.4958 COc1ccc(cc1)CC(C)N(C)CCO 270004a_100000210263_100000211147 [0,2,0,0,0,0|1,0,1]=4 3210 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Br)C 11a_100000225692_100000709925 [0,2,0,0,0,0|1,0,1]=4 3211 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Br)C 527a_100000225692_100000709925 [0,2,0,0,0,0|1,0,1]=4 3212 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Br)Cl 11a_100000225692_100012349508 [0,2,0,0,0,0|1,0,1]=4 3213 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Br)Cl 527a_100000225692_100012349508 [0,2,0,0,0,0|1,0,1]=4 3214 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Br)F 11a_100000225692_100000742997 [0,2,0,0,0,0|1,0,1]=4 3215 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Br)F 527a_100000225692_100000742997 [0,2,0,0,0,0|1,0,1]=4 3216 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Br)O 527a_100000225692_100009990404 [0,2,0,0,0,0|1,0,1]=4 3217 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)C)Br 11a_100000225692_100012340274 [0,2,0,0,0,0|1,0,1]=4 3218 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)C)Br 527a_100000225692_100012340274 [0,2,0,0,0,0|1,0,1]=4 3219 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)C)C 11a_100000225692_100000184070 [0,2,0,0,0,0|1,0,1]=4 3220 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)C)C 527a_100000225692_100000184070 [0,2,0,0,0,0|1,0,1]=4 3221 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)C)F 11a_100000225692_100011667458 [0,2,0,0,0,0|1,0,1]=4 3222 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)C)F 527a_100000225692_100011667458 [0,2,0,0,0,0|1,0,1]=4 3223 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)C)O 527a_100000225692_100000083968 [0,2,0,0,0,0|1,0,1]=4 3224 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)Br 11a_100000225692_100000766880 [0,2,0,0,0,0|1,0,1]=4 3225 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)Br 527a_100000225692_100000766880 [0,2,0,0,0,0|1,0,1]=4 3226 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)Cl 11a_100000225692_100000210702 [0,2,0,0,0,0|1,0,1]=4 3227 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)Cl 527a_100000225692_100000210702 [0,2,0,0,0,0|1,0,1]=4 3228 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)F 11a_100000225692_100011217296 [0,2,0,0,0,0|1,0,1]=4 3229 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)F 1626a_100000225692_100011217296 [0,2,0,0,0,0|1,0,1]=4 3230 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)F 527a_100000225692_100011217296 [0,2,0,0,0,0|1,0,1]=4 3231 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)Cl)O 527a_100000225692_100000035197 [0,2,0,0,0,0|1,0,1]=4 3232 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)Br 11a_100000225692_100000691132 [0,2,0,0,0,0|1,0,1]=4 3233 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)Br 527a_100000225692_100000691132 [0,2,0,0,0,0|1,0,1]=4 3234 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)C 11a_100000225692_100011217375 [0,2,0,0,0,0|1,0,1]=4 3235 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)C 527a_100000225692_100011217375 [0,2,0,0,0,0|1,0,1]=4 3236 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)Cl 11a_100000225692_100000722404 [0,2,0,0,0,0|1,0,1]=4 3237 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)Cl 527a_100000225692_100000722404 [0,2,0,0,0,0|1,0,1]=4 3238 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)F 11a_100000225692_100000684721 [0,2,0,0,0,0|1,0,1]=4 3239 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)F 1626a_100000225692_100000684721 [0,2,0,0,0,0|1,0,1]=4 3240 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)F 527a_100000225692_100000684721 [0,2,0,0,0,0|1,0,1]=4 3241 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)I 11a_100000225692_100010149632 [0,2,0,0,0,0|1,0,1]=4 3242 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)I 1626a_100000225692_100010149632 [0,2,0,0,0,0|1,0,1]=4 3243 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)I 527a_100000225692_100010149632 [0,2,0,0,0,0|1,0,1]=4 3244 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)F)O 527a_100000225692_100000039761 [0,2,0,0,0,0|1,0,1]=4 3245 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)O)C 11a_100000225692_100000082272 [0,2,0,0,0,0|1,0,1]=4 3246 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)O)C 527a_100000225692_100000082272 [0,2,0,0,0,0|1,0,1]=4 3247 B16R1.4970 C#CCN(C)C(=O)Cc1ccc(c(c1)O)O 527a_100000225692_100000031429 [0,2,0,0,0,0|1,0,1]=4 3248 B16R1.4970 C#CCN(C)C(C)Cc1ccc(c(c1)Cl)Cl 270004a_100000225692_100011586667 [0,2,0,0,0,0|0,0,0]=2 3249 B16R1.4970 C=CCN(C)C(C)Cc1ccc(c(c1)Cl)Cl 270004a_100000225617_100011586667 [0,2,0,0,0,0|0,0,2]=4 3250 B16R1.4970 CC(Cc1ccc(c(c1)Cl)Cl)N(C)CCO 270004a_100000210263_100011586667 [0,2,0,0,0,0|1,0,1]=4 3251 B16R1.4970 CCCN(C)C(C)Cc1ccc(c(c1)Cl)Cl 270004a_100000747261_100011586667 [0,2,0,0,0,0|0,0,2]=4 3252 B16R1.15339 C#CCN(C)C(F)(F)Oc1ccc(cc1)Br 34a_100000225692_100010730758 [0,2,0,0,0,0|2,0,0]=4 3253 B16R1.15339 C#CCN(C)S(=O)(=O)Cc1ccc(cc1)Br 274078a_100000225692_100000764255 [0,2,0,0,0,0|2,0,0]=4 3254 B16R1.15339 C#CCN(C)S(=O)(=O)Cc1ccc(cc1)C 274078a_100000225692_100000689310 [0,2,0,0,0,0|2,0,0]=4 3255 B16R1.15339 C#CCN(C)S(=O)(=O)Cc1ccc(cc1)Cl 274078a_100000225692_100011198069 [0,2,0,0,0,0|2,0,0]=4 3256 B16R1.15339 C#CCN(C)S(=O)(=O)Cc1ccc(cc1)F 274078a_100000225692_100000735682 [0,2,0,0,0,0|2,0,0]=4 3257 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)Br 11a_100000225692_100010172832 [0,2,0,0,0,0|1,0,1]=4 3258 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)Br 527a_100000225692_100010172832 [0,2,0,0,0,0|1,0,1]=4 3259 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)Cl 11a_100000225692_100000755479 [0,2,0,0,0,0|1,0,1]=4 3260 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)Cl 1626a_100000225692_100000755479 [0,2,0,0,0,0|1,0,1]=4 3261 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)Cl 527a_100000225692_100000755479 [0,2,0,0,0,0|1,0,1]=4 3262 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)F 11a_100000225692_100000708238 [0,2,0,0,0,0|1,0,1]=4 3263 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)F 1626a_100000225692_100000708238 [0,2,0,0,0,0|1,0,1]=4 3264 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)F 527a_100000225692_100000708238 [0,2,0,0,0,0|1,0,1]=4 3265 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Br)O 527a_100000225692_100010176083 [0,2,0,0,0,0|1,0,1]=4 3266 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)Br 11a_100000225692_100000697930 [0,2,0,0,0,0|1,0,1]=4 3267 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)Br 1626a_100000225692_100000697930 [0,2,0,0,0,0|1,0,1]=4 3268 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)Br 527a_100000225692_100000697930 [0,2,0,0,0,0|1,0,1]=4 3269 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)C 11a_100000225692_100011236500 [0,2,0,0,0,0|1,0,1]=4 3270 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)C 1626a_100000225692_100011236500 [0,2,0,0,0,0|1,0,1]=4 3271 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)C 527a_100000225692_100011236500 [0,2,0,0,0,0|1,0,1]=4 3272 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)F 11a_100000225692_100011667441 [0,2,0,0,0,0|1,0,1]=4 3273 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)F 1626a_100000225692_100011667441 [0,2,0,0,0,0|1,0,1]=4 3274 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1C)F 527a_100000225692_100011667441 [0,2,0,0,0,0|1,0,1]=4 3275 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)Br 11a_100000225692_100012361378 [0,2,0,0,0,0|1,0,1]=4 3276 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)Br 1626a_100000225692_100012361378 [0,2,0,0,0,0|1,0,1]=4 3277 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)Br 527a_100000225692_100012361378 [0,2,0,0,0,0|1,0,1]=4 3278 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)Cl 11a_100000225692_100000210926 [0,2,0,0,0,0|1,0,1]=4 3279 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)Cl 1626a_100000225692_100000210926 [0,2,0,0,0,0|1,0,1]=4 3280 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)Cl 527a_100000225692_100000210926 [0,2,0,0,0,0|1,0,1]=4 3281 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)F 11a_100000225692_100000690284 [0,2,0,0,0,0|1,0,1]=4 3282 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)F 1626a_100000225692_100000690284 [0,2,0,0,0,0|1,0,1]=4 3283 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1Cl)F 527a_100000225692_100000690284 [0,2,0,0,0,0|1,0,1]=4 3284 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)Br 11a_100000225692_100011295475 [0,2,0,0,0,0|1,0,1]=4 3285 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)Br 1626a_100000225692_100011295475 [0,2,0,0,0,0|1,0,1]=4 3286 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)Br 527a_100000225692_100011295475 [0,2,0,0,0,0|1,0,1]=4 3287 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)C 11a_100000225692_100000042674 [0,2,0,0,0,0|1,0,1]=4 3288 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)C 1626a_100000225692_100000042674 [0,2,0,0,0,0|1,0,1]=4 3289 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)C 527a_100000225692_100000042674 [0,2,0,0,0,0|1,0,1]=4 3290 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)Cl 11a_100000225692_100011830378 [0,2,0,0,0,0|1,0,1]=4 3291 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)Cl 1626a_100000225692_100011830378 [0,2,0,0,0,0|1,0,1]=4 3292 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)Cl 527a_100000225692_100011830378 [0,2,0,0,0,0|1,0,1]=4 3293 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)F 11a_100000225692_100000684719 [0,2,0,0,0,0|1,0,1]=4 3294 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)F 1626a_100000225692_100000684719 [0,2,0,0,0,0|1,0,1]=4 3295 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)F 527a_100000225692_100000684719 [0,2,0,0,0,0|1,0,1]=4 3296 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)I 11a_100000225692_100010149628 [0,2,0,0,0,0|1,0,1]=4 3297 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)I 1626a_100000225692_100010149628 [0,2,0,0,0,0|1,0,1]=4 3298 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)I 527a_100000225692_100010149628 [0,2,0,0,0,0|1,0,1]=4 3299 B16R1.66351 C#CCN(C)C(=O)Cc1ccc(cc1F)O 527a_100000225692_100000090534 [0,2,0,0,0,0|1,0,1]=4 3300 B16R1.66351 C#CCN(C)C(C)Cc1ccc(cc1Br)Cl 270004a_100000225692_200010078464 [0,2,0,0,0,0|0,0,0]=2 3301 B16R1.66351 C#CCN(C)C(C)Cc1ccc(cc1C)C 270004a_100000225692_200000075425 [0,2,0,0,0,0|0,0,0]=2 3302 B16R1.66351 C#CCN(C)C(C)Cc1ccc(cc1Cl)Cl 270004a_100000225692_200011350722 [0,2,0,0,0,0|0,0,0]=2 3303 B16R1.66351 C#CCN(C)C(C)Cc1ccc(cc1Cl)O 270004a_100000225692_200000084595 [0,2,0,0,0,0|0,0,0]=2 3304 B16R1.66351 C#CCN(C)C(C)Cc1ccc(cc1F)F 270004a_100000225692_100011622162 [0,2,0,0,0,0|0,0,0]=2 3305 B16R1.66351 C=CCN(C)C(C)Cc1ccc(cc1Br)Cl 270004a_100000225617_200010078464 [0,2,0,0,0,0|0,0,2]=4 3306 B16R1.66351 C=CCN(C)C(C)Cc1ccc(cc1C)C 270004a_100000225617_200000075425 [0,2,0,0,0,0|0,0,2]=4 3307 B16R1.66351 C=CCN(C)C(C)Cc1ccc(cc1Cl)Cl 270004a_100000225617_200011350722 [0,2,0,0,0,0|0,0,2]=4 3308 B16R1.66351 C=CCN(C)C(C)Cc1ccc(cc1Cl)O 270004a_100000225617_200000084595 [0,2,0,0,0,0|0,0,2]=4 3309 B16R1.66351 C=CCN(C)C(C)Cc1ccc(cc1F)F 270004a_100000225617_100011622162 [0,2,0,0,0,0|0,0,2]=4 3310 B16R1.66351 CC(Cc1ccc(cc1Br)Cl)N(C)CCO 270004a_100000210263_200010078464 [0,2,0,0,0,0|1,0,1]=4 3311 B16R1.66351 CC(Cc1ccc(cc1Cl)Cl)N(C)CCO 270004a_100000210263_200011350722 [0,2,0,0,0,0|1,0,1]=4 3312 B16R1.66351 CC(Cc1ccc(cc1Cl)O)N(C)CCO 270004a_100000210263_200000084595 [0,2,0,0,0,0|1,0,1]=4 3313 B16R1.66351 CC(Cc1ccc(cc1F)F)N(C)CCO 270004a_100000210263_100011622162 [0,2,0,0,0,0|1,0,1]=4 3314 B16R1.66351 CCCN(C)C(C)Cc1ccc(cc1Br)Cl 270004a_100000747261_200010078464 [0,2,0,0,0,0|0,0,2]=4 3315 B16R1.66351 CCCN(C)C(C)Cc1ccc(cc1C)C 270004a_100000747261_200000075425 [0,2,0,0,0,0|0,0,2]=4 3316 B16R1.66351 CCCN(C)C(C)Cc1ccc(cc1Cl)Cl 270004a_100000747261_200011350722 [0,2,0,0,0,0|0,0,2]=4 3317 B16R1.66351 CCCN(C)C(C)Cc1ccc(cc1Cl)O 270004a_100000747261_200000084595 [0,2,0,0,0,0|0,0,2]=4 3318 B16R1.66351 CCCN(C)C(C)Cc1ccc(cc1F)F 270004a_100000747261_100011622162 [0,2,0,0,0,0|0,0,2]=4 3319 B16R1.66351 Cc1ccc(c(c1)C)CC(C)N(C)CCO 270004a_100000210263_200000075425 [0,2,0,0,0,0|1,0,1]=4 3320 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)C 11a_100000225692_100010147021 [0,2,0,0,0,0|1,0,1]=4 3321 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)C 1626a_100000225692_100010147021 [0,2,0,0,0,0|1,0,1]=4 3322 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)C 527a_100000225692_100010147021 [0,2,0,0,0,0|1,0,1]=4 3323 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)Cl 11a_100000225692_100010145769 [0,2,0,0,0,0|1,0,1]=4 3324 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)Cl 1626a_100000225692_100010145769 [0,2,0,0,0,0|1,0,1]=4 3325 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)Cl 527a_100000225692_100010145769 [0,2,0,0,0,0|1,0,1]=4 3326 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)F 11a_100000225692_100012356664 [0,2,0,0,0,0|1,0,1]=4 3327 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)F 1626a_100000225692_100012356664 [0,2,0,0,0,0|1,0,1]=4 3328 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Br)F 527a_100000225692_100012356664 [0,2,0,0,0,0|1,0,1]=4 3329 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1C)C 11a_100000225692_100011698479 [0,2,0,0,0,0|1,0,1]=4 3330 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1C)C 1626a_100000225692_100011698479 [0,2,0,0,0,0|1,0,1]=4 3331 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1C)C 527a_100000225692_100011698479 [0,2,0,0,0,0|1,0,1]=4 3332 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1C)F 11a_100000225692_100000035905 [0,2,0,0,0,0|1,0,1]=4 3333 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1C)F 1626a_100000225692_100000035905 [0,2,0,0,0,0|1,0,1]=4 3334 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1C)F 527a_100000225692_100000035905 [0,2,0,0,0,0|1,0,1]=4 3335 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)Br 11a_100000225692_100010145770 [0,2,0,0,0,0|1,0,1]=4 3336 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)Br 1626a_100000225692_100010145770 [0,2,0,0,0,0|1,0,1]=4 3337 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)Br 527a_100000225692_100010145770 [0,2,0,0,0,0|1,0,1]=4 3338 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)Cl 11a_100000225692_100000759314 [0,2,0,0,0,0|1,0,1]=4 3339 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)Cl 1626a_100000225692_100000759314 [0,2,0,0,0,0|1,0,1]=4 3340 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)Cl 527a_100000225692_100000759314 [0,2,0,0,0,0|1,0,1]=4 3341 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)F 11a_100000225692_100012001123 [0,2,0,0,0,0|1,0,1]=4 3342 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)F 1626a_100000225692_100012001123 [0,2,0,0,0,0|1,0,1]=4 3343 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1Cl)F 527a_100000225692_100012001123 [0,2,0,0,0,0|1,0,1]=4 3344 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)Br 11a_100000225692_100011935088 [0,2,0,0,0,0|1,0,1]=4 3345 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)Br 1626a_100000225692_100011935088 [0,2,0,0,0,0|1,0,1]=4 3346 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)Br 527a_100000225692_100011935088 [0,2,0,0,0,0|1,0,1]=4 3347 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)Cl 11a_100000225692_100000709823 [0,2,0,0,0,0|1,0,1]=4 3348 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)Cl 1626a_100000225692_100000709823 [0,2,0,0,0,0|1,0,1]=4 3349 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)Cl 527a_100000225692_100000709823 [0,2,0,0,0,0|1,0,1]=4 3350 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)F 11a_100000225692_100000684727 [0,2,0,0,0,0|1,0,1]=4 3351 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)F 1626a_100000225692_100000684727 [0,2,0,0,0,0|1,0,1]=4 3352 B16R1.33 C#CCN(C)C(=O)Cc1cccc(c1F)F 527a_100000225692_100000684727 [0,2,0,0,0,0|1,0,1]=4 3353 B16R1.33 C#CCN(C)C(C)Cc1cccc(c1C)F 270004a_100000225692_200000084601 [0,2,0,0,0,0|0,0,0]=2 3354 B16R1.33 C#CCN(C)C(C)Cc1cccc(c1F)F 270004a_100000225692_200011710203 [0,2,0,0,0,0|0,0,0]=2 3355 B16R1.33 C=CCN(C)C(C)Cc1cccc(c1C)F 270004a_100000225617_200000084601 [0,2,0,0,0,0|0,0,2]=4 3356 B16R1.33 C=CCN(C)C(C)Cc1cccc(c1F)F 270004a_100000225617_200011710203 [0,2,0,0,0,0|0,0,2]=4 3357 B16R1.33 CC(Cc1cccc(c1F)F)N(C)CCO 270004a_100000210263_200011710203 [0,2,0,0,0,0|1,0,1]=4 3358 B16R1.33 CCCN(C)C(C)Cc1cccc(c1C)F 270004a_100000747261_200000084601 [0,2,0,0,0,0|0,0,2]=4 3359 B16R1.33 CCCN(C)C(C)Cc1cccc(c1F)F 270004a_100000747261_200011710203 [0,2,0,0,0,0|0,0,2]=4 3360 B16R1.33 Cc1c(cccc1CC(C)N(C)CCO)F 270004a_100000210263_200000084601 [0,2,0,0,0,0|1,0,1]=4 3361 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)Br 270004a_100020639649_100000689217 [0,2,0,0,0,0|0,0,2]=4 3362 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100020639649_100000727212 [0,2,0,0,0,0|0,0,2]=4 3363 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)F 270004a_100020639649_100000687711 [0,2,0,0,0,0|0,0,2]=4 3364 B16R1.659 CC(Cc1cccc(c1)Br)N(C)CCC#N 270004a_100000184479_100000689217 [0,2,0,0,0,0|0,0,1]=3 3365 B16R1.659 CC(Cc1cccc(c1)Br)N(C)CCCO 270004a_100000213112_100000689217 [0,2,0,0,0,0|0,0,2]=4 3366 B16R1.659 CC(Cc1cccc(c1)Cl)N(C)CCC#N 270004a_100000184479_100000727212 [0,2,0,0,0,0|0,0,1]=3 3367 B16R1.659 CC(Cc1cccc(c1)Cl)N(C)CCCO 270004a_100000213112_100000727212 [0,2,0,0,0,0|0,0,2]=4 3368 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCC#N 270004a_100000184479_100000687711 [0,2,0,0,0,0|0,0,1]=3 3369 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCCO 270004a_100000213112_100000687711 [0,2,0,0,0,0|0,0,2]=4 3370 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000207549_100000689217 [0,2,0,0,0,0|0,0,2]=4 3371 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000207549_100000727212 [0,2,0,0,0,0|0,0,2]=4 3372 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)F 270004a_100000207549_100000687711 [0,2,0,0,0,0|0,0,2]=4 3373 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000743101_100000689217 [0,2,0,0,0,0|0,0,2]=4 3374 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000743101_100000727212 [0,2,0,0,0,0|0,0,2]=4 3375 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)F 270004a_100000743101_100000687711 [0,2,0,0,0,0|0,0,2]=4 3376 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000686725_100000689217 [0,2,0,0,0,0|0,0,2]=4 3377 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000686725_100000727212 [0,2,0,0,0,0|0,0,2]=4 3378 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)F 270004a_100000686725_100000687711 [0,2,0,0,0,0|0,0,2]=4 3379 B16R1.659 Cc1ccnc(c1)CC(C)N(C)CCC#N 270004a_100000184479_200015184229 [0,2,0,0,0,0|1,0,1]=4 3380 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)Br 11a_100000225692_100000722698 [0,2,0,0,0,0|1,0,1]=4 3381 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)Br 1626a_100000225692_100000722698 [0,2,0,0,0,0|1,0,1]=4 3382 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)Br 527a_100000225692_100000722698 [0,2,0,0,0,0|1,0,1]=4 3383 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)Cl 11a_100000225692_100000762818 [0,2,0,0,0,0|1,0,1]=4 3384 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)Cl 1626a_100000225692_100000762818 [0,2,0,0,0,0|1,0,1]=4 3385 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)Cl 527a_100000225692_100000762818 [0,2,0,0,0,0|1,0,1]=4 3386 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)F 11a_100000225692_100000762896 [0,2,0,0,0,0|1,0,1]=4 3387 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)F 1626a_100000225692_100000762896 [0,2,0,0,0,0|1,0,1]=4 3388 B16R1.686 C#CCN(C)C(=O)C(C)c1cccc(c1)F 527a_100000225692_100000762896 [0,2,0,0,0,0|1,0,1]=4 3389 B16R1.686 C#CCN(C)C(=O)[C@H](C)c1cccc(c1)C 11a_100000225692_200009911544 [0,2,0,0,0,0|1,0,1]=4 3390 B16R1.686 C#CCN(C)C(=O)[C@H](C)c1cccc(c1)C 1626a_100000225692_200009911544 [0,2,0,0,0,0|1,0,1]=4 3391 B16R1.686 C#CCN(C)C(=O)[C@H](C)c1cccc(c1)C 527a_100000225692_200009911544 [0,2,0,0,0,0|1,0,1]=4 3392 B16R1.686 C#CCN(C)C(C)C(=O)c1cccc(c1)Br 2230a_100000225692_100012349134 [0,2,0,0,0,0|0,0,1]=3 3393 B16R1.686 C#CCN(C)C(C)C(=O)c1cccc(c1)Br 34a_100000225692_100012349134 [0,2,0,0,0,0|0,0,1]=3 3394 B16R1.686 C#CCN(C)C(C)C(=O)c1cccc(c1)Cl 2230a_100000225692_100000184413 [0,2,0,0,0,0|0,0,1]=3 3395 B16R1.686 C#CCN(C)C(C)C(=O)c1cccc(c1)Cl 34a_100000225692_100000184413 [0,2,0,0,0,0|0,0,1]=3 3396 B16R1.686 C#CCN(C)C(C)C(=O)c1cccc(c1)F 2230a_100000225692_100012356231 [0,2,0,0,0,0|0,0,1]=3 3397 B16R1.686 C#CCN(C)C(C)C(=O)c1cccc(c1)F 34a_100000225692_100012356231 [0,2,0,0,0,0|0,0,1]=3 3398 B16R1.686 CC(C(=O)c1cccc(c1)Br)N(C)CC#N 2230a_100000748184_100012349134 [0,2,0,0,0,0|1,0,1]=4 3399 B16R1.686 CC(C(=O)c1cccc(c1)Cl)N(C)CC#N 2230a_100000748184_100000184413 [0,2,0,0,0,0|1,0,1]=4 3400 B16R1.686 CC(C(=O)c1cccc(c1)F)N(C)CC#N 2230a_100000748184_100012356231 [0,2,0,0,0,0|1,0,1]=4 3401 B16R1.1160 CC(C#N)N(C)C(C)Cc1cccc(c1)Br 270004a_100000745055_100000689217 [0,2,0,0,0,0|1,0,0]=3 3402 B16R1.1160 CC(C#N)N(C)C(C)Cc1cccc(c1)Cl 270004a_100000745055_100000727212 [0,2,0,0,0,0|1,0,0]=3 3403 B16R1.1160 CC(C#N)N(C)C(C)Cc1cccc(c1)F 270004a_100000745055_100000687711 [0,2,0,0,0,0|1,0,0]=3 3404 B16R1.1160 CC(CO)N(C)C(C)Cc1cccc(c1)Br 270004a_100000693034_100000689217 [0,2,0,0,0,0|1,0,1]=4 3405 B16R1.1160 CC(CO)N(C)C(C)Cc1cccc(c1)Cl 270004a_100000693034_100000727212 [0,2,0,0,0,0|1,0,1]=4 3406 B16R1.1160 CC(CO)N(C)C(C)Cc1cccc(c1)F 270004a_100000693034_100000687711 [0,2,0,0,0,0|1,0,1]=4 3407 B16R1.1160 CCC(C)N(C)C(C)Cc1cccc(c1)Br 270004a_100000741768_100000689217 [0,2,0,0,0,0|0,0,2]=4 3408 B16R1.1160 CCC(C)N(C)C(C)Cc1cccc(c1)Cl 270004a_100000741768_100000727212 [0,2,0,0,0,0|0,0,2]=4 3409 B16R1.1160 CCC(C)N(C)C(C)Cc1cccc(c1)F 270004a_100000741768_100000687711 [0,2,0,0,0,0|0,0,2]=4 3410 B16R1.1160 Cc1ccnc(c1)CC(C)N(C)C(C)C#N 270004a_100000745055_200015184229 [0,2,0,0,0,0|2,0,0]=4 3411 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)Br 11a_100000744766_100000747190 [0,2,0,0,0,0|1,0,1]=4 3412 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)Br 240690a_100000744766_100000747190 [0,2,0,0,0,0|1,0,1]=4 3413 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)Br 527a_100000744766_100000747190 [0,2,0,0,0,0|1,0,1]=4 3414 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)C 11a_100000744766_100011206899 [0,2,0,0,0,0|1,0,1]=4 3415 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)C 1626a_100000744766_100011206899 [0,2,0,0,0,0|1,0,1]=4 3416 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)C 240690a_100000744766_100011206899 [0,2,0,0,0,0|1,0,1]=4 3417 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)C 527a_100000744766_100011206899 [0,2,0,0,0,0|1,0,1]=4 3418 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)Cl 11a_100000744766_100000749307 [0,2,0,0,0,0|1,0,1]=4 3419 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)Cl 1626a_100000744766_100000749307 [0,2,0,0,0,0|1,0,1]=4 3420 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)Cl 240690a_100000744766_100000749307 [0,2,0,0,0,0|1,0,1]=4 3421 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)Cl 527a_100000744766_100000749307 [0,2,0,0,0,0|1,0,1]=4 3422 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)F 11a_100000744766_100000211661 [0,2,0,0,0,0|1,0,1]=4 3423 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)F 1626a_100000744766_100000211661 [0,2,0,0,0,0|1,0,1]=4 3424 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)F 240690a_100000744766_100000211661 [0,2,0,0,0,0|1,0,1]=4 3425 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)F 527a_100000744766_100000211661 [0,2,0,0,0,0|1,0,1]=4 3426 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)I 11a_100000744766_100000238430 [0,2,0,0,0,0|1,0,1]=4 3427 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)I 1626a_100000744766_100000238430 [0,2,0,0,0,0|1,0,1]=4 3428 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)I 240690a_100000744766_100000238430 [0,2,0,0,0,0|1,0,1]=4 3429 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)I 527a_100000744766_100000238430 [0,2,0,0,0,0|1,0,1]=4 3430 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)O 240690a_100000744766_100000745134 [0,2,0,0,0,0|1,0,1]=4 3431 B16R1.1577 C#CCN(CC)C(=O)Cc1cccc(c1)O 527a_100000744766_100000745134 [0,2,0,0,0,0|1,0,1]=4 3432 B16R1.1577 C#CCN(CC)C(C)Cc1cc(ccn1)C 270004a_100000744766_200015184229 [0,2,0,0,0,0|1,0,0]=3 3433 B16R1.1577 C#CCN(CC)C(C)Cc1cccc(c1)Br 270004a_100000744766_100000689217 [0,2,0,0,0,0|0,0,0]=2 3434 B16R1.1577 C#CCN(CC)C(C)Cc1cccc(c1)Cl 270004a_100000744766_100000727212 [0,2,0,0,0,0|0,0,0]=2 3435 B16R1.1577 C#CCN(CC)C(C)Cc1cccc(c1)F 270004a_100000744766_100000687711 [0,2,0,0,0,0|0,0,0]=2 3436 B16R1.1577 CCCN(CC)C(C)Cc1cccc(c1)Br 270004a_100000226822_100000689217 [0,2,0,0,0,0|0,0,2]=4 3437 B16R1.1577 CCCN(CC)C(C)Cc1cccc(c1)Cl 270004a_100000226822_100000727212 [0,2,0,0,0,0|0,0,2]=4 3438 B16R1.1577 CCCN(CC)C(C)Cc1cccc(c1)F 270004a_100000226822_100000687711 [0,2,0,0,0,0|0,0,2]=4 3439 B16R1.1577 CCN(CCO)C(C)Cc1cccc(c1)Br 270004a_100000210973_100000689217 [0,2,0,0,0,0|1,0,1]=4 3440 B16R1.1577 CCN(CCO)C(C)Cc1cccc(c1)Cl 270004a_100000210973_100000727212 [0,2,0,0,0,0|1,0,1]=4 3441 B16R1.1577 CCN(CCO)C(C)Cc1cccc(c1)F 270004a_100000210973_100000687711 [0,2,0,0,0,0|1,0,1]=4 3442 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)Br 11a_100000225692_100010004897 [0,2,0,0,0,0|1,0,1]=4 3443 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)Br 527a_100000225692_100010004897 [0,2,0,0,0,0|1,0,1]=4 3444 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)C 11a_100000225692_100010004923 [0,2,0,0,0,0|1,0,1]=4 3445 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)C 1626a_100000225692_100010004923 [0,2,0,0,0,0|1,0,1]=4 3446 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)C 527a_100000225692_100010004923 [0,2,0,0,0,0|1,0,1]=4 3447 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)Cl 11a_100000225692_100000690875 [0,2,0,0,0,0|1,0,1]=4 3448 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)Cl 1626a_100000225692_100000690875 [0,2,0,0,0,0|1,0,1]=4 3449 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)Cl 527a_100000225692_100000690875 [0,2,0,0,0,0|1,0,1]=4 3450 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)F 11a_100000225692_100000690878 [0,2,0,0,0,0|1,0,1]=4 3451 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)F 1626a_100000225692_100000690878 [0,2,0,0,0,0|1,0,1]=4 3452 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Br)F 527a_100000225692_100000690878 [0,2,0,0,0,0|1,0,1]=4 3453 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)Br 11a_100000225692_100010244045 [0,2,0,0,0,0|1,0,1]=4 3454 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)Br 1626a_100000225692_100010244045 [0,2,0,0,0,0|1,0,1]=4 3455 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)Br 527a_100000225692_100010244045 [0,2,0,0,0,0|1,0,1]=4 3456 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)C 11a_100000225692_100000749331 [0,2,0,0,0,0|1,0,1]=4 3457 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)C 1626a_100000225692_100000749331 [0,2,0,0,0,0|1,0,1]=4 3458 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)C 527a_100000225692_100000749331 [0,2,0,0,0,0|1,0,1]=4 3459 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)F 11a_100000225692_100011219217 [0,2,0,0,0,0|1,0,1]=4 3460 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)F 1626a_100000225692_100011219217 [0,2,0,0,0,0|1,0,1]=4 3461 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1C)F 527a_100000225692_100011219217 [0,2,0,0,0,0|1,0,1]=4 3462 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)Br 11a_100000225692_100011600618 [0,2,0,0,0,0|1,0,1]=4 3463 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)Br 1626a_100000225692_100011600618 [0,2,0,0,0,0|1,0,1]=4 3464 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)Br 527a_100000225692_100011600618 [0,2,0,0,0,0|1,0,1]=4 3465 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)Cl 11a_100000225692_100000748246 [0,2,0,0,0,0|1,0,1]=4 3466 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)Cl 1626a_100000225692_100000748246 [0,2,0,0,0,0|1,0,1]=4 3467 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)Cl 527a_100000225692_100000748246 [0,2,0,0,0,0|1,0,1]=4 3468 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)F 11a_100000225692_100011830335 [0,2,0,0,0,0|1,0,1]=4 3469 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)F 1626a_100000225692_100011830335 [0,2,0,0,0,0|1,0,1]=4 3470 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1Cl)F 527a_100000225692_100011830335 [0,2,0,0,0,0|1,0,1]=4 3471 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)Br 11a_100000225692_100000690877 [0,2,0,0,0,0|1,0,1]=4 3472 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)Br 1626a_100000225692_100000690877 [0,2,0,0,0,0|1,0,1]=4 3473 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)Br 527a_100000225692_100000690877 [0,2,0,0,0,0|1,0,1]=4 3474 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)C 11a_100000225692_100011667363 [0,2,0,0,0,0|1,0,1]=4 3475 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)C 1626a_100000225692_100011667363 [0,2,0,0,0,0|1,0,1]=4 3476 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)C 527a_100000225692_100011667363 [0,2,0,0,0,0|1,0,1]=4 3477 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)Cl 11a_100000225692_100011217548 [0,2,0,0,0,0|1,0,1]=4 3478 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)Cl 1626a_100000225692_100011217548 [0,2,0,0,0,0|1,0,1]=4 3479 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)Cl 527a_100000225692_100011217548 [0,2,0,0,0,0|1,0,1]=4 3480 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)F 11a_100000225692_100000762760 [0,2,0,0,0,0|1,0,1]=4 3481 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)F 1626a_100000225692_100000762760 [0,2,0,0,0,0|1,0,1]=4 3482 B16R1.4954 C#CCN(C)C(=O)Cc1cc(ccc1F)F 527a_100000225692_100000762760 [0,2,0,0,0,0|1,0,1]=4 3483 B16R1.4954 C#CCN(C)C(C)Cc1cc(ccc1Cl)Cl 270004a_100000225692_200012258975 [0,2,0,0,0,0|0,0,0]=2 3484 B16R1.4954 C#CCN(C)C(C)Cc1cc(ccc1F)F 270004a_100000225692_200011522264 [0,2,0,0,0,0|0,0,0]=2 3485 B16R1.4954 C=CCN(C)C(C)Cc1cc(ccc1Cl)Cl 270004a_100000225617_200012258975 [0,2,0,0,0,0|0,0,2]=4 3486 B16R1.4954 C=CCN(C)C(C)Cc1cc(ccc1F)F 270004a_100000225617_200011522264 [0,2,0,0,0,0|0,0,2]=4 3487 B16R1.4954 CC(Cc1cc(ccc1Cl)Cl)N(C)CCO 270004a_100000210263_200012258975 [0,2,0,0,0,0|1,0,1]=4 3488 B16R1.4954 CC(Cc1cc(ccc1F)F)N(C)CCO 270004a_100000210263_200011522264 [0,2,0,0,0,0|1,0,1]=4 3489 B16R1.4954 CCCN(C)C(C)Cc1cc(ccc1Cl)Cl 270004a_100000747261_200012258975 [0,2,0,0,0,0|0,0,2]=4 3490 B16R1.4954 CCCN(C)C(C)Cc1cc(ccc1F)F 270004a_100000747261_200011522264 [0,2,0,0,0,0|0,0,2]=4 3491 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Br)Br 11a_100000225692_100010186705 [0,2,0,0,0,0|1,0,1]=4 3492 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Br)Br 527a_100000225692_100010186705 [0,2,0,0,0,0|1,0,1]=4 3493 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Br)F 11a_100000225692_100011935118 [0,2,0,0,0,0|1,0,1]=4 3494 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Br)F 527a_100000225692_100011935118 [0,2,0,0,0,0|1,0,1]=4 3495 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)C)C 11a_100000225692_100011202310 [0,2,0,0,0,0|1,0,1]=4 3496 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)C)C 527a_100000225692_100011202310 [0,2,0,0,0,0|1,0,1]=4 3497 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Cl)Cl 11a_100000225692_100012340057 [0,2,0,0,0,0|1,0,1]=4 3498 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Cl)Cl 1626a_100000225692_100012340057 [0,2,0,0,0,0|1,0,1]=4 3499 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Cl)Cl 527a_100000225692_100012340057 [0,2,0,0,0,0|1,0,1]=4 3500 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Cl)F 11a_100000225692_100011217690 [0,2,0,0,0,0|1,0,1]=4 3501 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Cl)F 1626a_100000225692_100011217690 [0,2,0,0,0,0|1,0,1]=4 3502 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)Cl)F 527a_100000225692_100011217690 [0,2,0,0,0,0|1,0,1]=4 3503 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)F)C 11a_100000225692_100011216671 [0,2,0,0,0,0|1,0,1]=4 3504 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)F)C 1626a_100000225692_100011216671 [0,2,0,0,0,0|1,0,1]=4 3505 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)F)C 527a_100000225692_100011216671 [0,2,0,0,0,0|1,0,1]=4 3506 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)F)F 11a_100000225692_100011220011 [0,2,0,0,0,0|1,0,1]=4 3507 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)F)F 1626a_100000225692_100011220011 [0,2,0,0,0,0|1,0,1]=4 3508 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)F)F 527a_100000225692_100011220011 [0,2,0,0,0,0|1,0,1]=4 3509 B16R1.4956 C#CCN(C)C(=O)Cc1cc(cc(c1)O)O 527a_100000225692_100000080560 [0,2,0,0,0,0|1,0,1]=4 3510 B16R1.4956 C#CCN(C)C(C)Cc1cc(cc(c1)F)F 270004a_100000225692_200011487669 [0,2,0,0,0,0|0,0,0]=2 3511 B16R1.4956 C=CCN(C)C(C)Cc1cc(cc(c1)F)F 270004a_100000225617_200011487669 [0,2,0,0,0,0|0,0,2]=4 3512 B16R1.4956 CC(Cc1cc(cc(c1)F)F)N(C)CCO 270004a_100000210263_200011487669 [0,2,0,0,0,0|1,0,1]=4 3513 B16R1.4956 CCCN(C)C(C)Cc1cc(cc(c1)F)F 270004a_100000747261_200011487669 [0,2,0,0,0,0|0,0,2]=4 3514 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)C#N 11a_100000225692_100000684415 [0,2,0,0,0,0|1,0,1]=4 3515 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)C#N 1626a_100000225692_100000684415 [0,2,0,0,0,0|1,0,1]=4 3516 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)C#N 527a_100000225692_100000684415 [0,2,0,0,0,0|1,0,1]=4 3517 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)OC 11a_100000225692_100000211281 [0,2,0,0,0,0|1,0,1]=4 3518 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)OC 1626a_100000225692_100000211281 [0,2,0,0,0,0|1,0,1]=4 3519 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)OC 527a_100000225692_100000211281 [0,2,0,0,0,0|1,0,1]=4 3520 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)SC 11a_100000225692_100000035702 [0,2,0,0,0,0|1,0,1]=4 3521 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)SC 1626a_100000225692_100000035702 [0,2,0,0,0,0|1,0,1]=4 3522 B16R1.4966 C#CCN(C)C(=O)Cc1cccc(c1)SC 527a_100000225692_100000035702 [0,2,0,0,0,0|1,0,1]=4 3523 B16R1.4966 C#CCN(C)C(C)Cc1cccc(c1)OC 270004a_100000225692_100011218204 [0,2,0,0,0,0|0,0,0]=2 3524 B16R1.4966 C=CCN(C)C(C)Cc1cccc(c1)OC 270004a_100000225617_100011218204 [0,2,0,0,0,0|0,0,2]=4 3525 B16R1.4966 CCCN(C)C(C)Cc1cccc(c1)OC 270004a_100000747261_100011218204 [0,2,0,0,0,0|0,0,2]=4 3526 B16R1.4966 COc1cccc(c1)CC(C)N(C)CCO 270004a_100000210263_100011218204 [0,2,0,0,0,0|1,0,1]=4 3527 B16R1.11234 C=C(C)CN(C)C(C)Cc1cccc(c1)Br 270004a_100000225649_100000689217 [0,2,0,0,0,0|0,0,2]=4 3528 B16R1.11234 C=C(C)CN(C)C(C)Cc1cccc(c1)Cl 270004a_100000225649_100000727212 [0,2,0,0,0,0|0,0,2]=4 3529 B16R1.11234 C=C(C)CN(C)C(C)Cc1cccc(c1)F 270004a_100000225649_100000687711 [0,2,0,0,0,0|0,0,2]=4 3530 B16R1.11234 CC(C)CN(C)C(C)Cc1cccc(c1)Br 270004a_100000747067_100000689217 [0,2,0,0,0,0|0,0,2]=4 3531 B16R1.11234 CC(C)CN(C)C(C)Cc1cccc(c1)Cl 270004a_100000747067_100000727212 [0,2,0,0,0,0|0,0,2]=4 3532 B16R1.11234 CC(C)CN(C)C(C)Cc1cccc(c1)F 270004a_100000747067_100000687711 [0,2,0,0,0,0|0,0,2]=4 3533 B16R1.11234 CC(Cc1cccc(c1)Br)N(C)CC(=O)N 270004a_100000739694_100000689217 [0,2,0,0,0,0|1,0,1]=4 3534 B16R1.11234 CC(Cc1cccc(c1)Cl)N(C)CC(=O)N 270004a_100000739694_100000727212 [0,2,0,0,0,0|1,0,1]=4 3535 B16R1.11234 CC(Cc1cccc(c1)F)N(C)CC(=O)N 270004a_100000739694_100000687711 [0,2,0,0,0,0|1,0,1]=4 3536 B16R1.11234 CC(O)CN(C)C(C)Cc1cccc(c1)Br 270004a_100000227577_100000689217 [0,2,0,0,0,0|0,0,2]=4 3537 B16R1.11234 CC(O)CN(C)C(C)Cc1cccc(c1)Cl 270004a_100000227577_100000727212 [0,2,0,0,0,0|0,0,2]=4 3538 B16R1.11234 CC(O)CN(C)C(C)Cc1cccc(c1)F 270004a_100000227577_100000687711 [0,2,0,0,0,0|0,0,2]=4 3539 B16R1.15340 C#CCC(=O)C(C)(C)Cc1cccc(c1)Br 1458a_200011736070_100000184674 [0,2,0,0,0,0|2,0,0]=4 3540 B16R1.15340 C#CCN(C)S(=O)(=O)Cc1cccc(c1)Br 274078a_100000225692_100000726588 [0,2,0,0,0,0|2,0,0]=4 3541 B16R1.15340 C#CCN(C)S(=O)(=O)Cc1cccc(c1)C 274078a_100000225692_100000743697 [0,2,0,0,0,0|2,0,0]=4 3542 B16R1.15340 C#CCN(C)S(=O)(=O)Cc1cccc(c1)C 40a_100000225692_100015207158 [0,2,0,0,0,0|2,0,0]=4 3543 B16R1.15340 C#CCN(C)S(=O)(=O)Cc1cccc(c1)Cl 274078a_100000225692_100000725668 [0,2,0,0,0,0|2,0,0]=4 3544 B16R1.15340 C#CCN(C)S(=O)(=O)Cc1cccc(c1)F 274078a_100000225692_100000750188 [0,2,0,0,0,0|2,0,0]=4 3545 B16R1.619 C=C(C)CN(CC)C(C)Cc1ccccc1 269982a_100000211296_200011218536 [0,2,0,0,0,0|0,0,2]=4 3546 B16R1.619 CC(Cc1ccccc1)N(CO)CC(=O)[O-] 269956a_100016989150_200011218536 [0,2,0,0,0,0|1,0,1]=4 3547 B16R1.619 CCN(CC(=O)O)C(C)Cc1ccccc1 269956a_100000746405_200011218536 [0,2,0,0,0,0|1,0,1]=4 3548 B16R1.619 CCN(CC(C)C)C(C)Cc1ccccc1 269982a_100000738554_200011218536 [0,2,0,0,0,0|0,0,2]=4 3549 B16R1.619 CCN(C[C@H](C)O)C(C)Cc1ccccc1 269982a_100000729506_200011218536 [0,2,0,0,0,0|0,0,2]=4 3550 B16R1.750 C=C(C)CN(C)C(CC)Cc1ccccc1 270004a_100000225649_100000212045 [0,2,0,0,0,0|0,0,2]=4 3551 B16R1.750 C=C(C)CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000748629 [0,2,0,0,0,0|0,0,2]=4 3552 B16R1.750 C=C(C)CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000748629 [0,2,0,0,0,0|0,0,2]=4 3553 B16R1.750 C=C(F)CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100009893438 [0,2,0,0,0,0|0,0,2]=4 3554 B16R1.750 C=C(F)CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100009893438 [0,2,0,0,0,0|0,0,2]=4 3555 B16R1.750 CC(C)CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210760 [0,2,0,0,0,0|0,0,2]=4 3556 B16R1.750 CC(C)CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210624 [0,2,0,0,0,0|0,0,2]=4 3557 B16R1.750 CC(C)CN(C)[C@H](CO)Cc1ccccc1 270004a_100016995599_100000210432 [0,2,0,0,0,0|0,0,2]=4 3558 B16R1.750 CC(O)CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011218427 [0,2,0,0,0,0|0,0,2]=4 3559 B16R1.750 CC(O)CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011218427 [0,2,0,0,0,0|0,0,2]=4 3560 B16R1.750 CCC(Cc1ccccc1)N(C)CC(=O)N 270004a_100000739694_100000212045 [0,2,0,0,0,0|1,0,1]=4 3561 B16R1.750 CCC(Cc1ccccc1)N(C)CC(C)C 270004a_100000747067_100000212045 [0,2,0,0,0,0|0,0,2]=4 3562 B16R1.750 CCC(Cc1ccccc1)N(C)CC(C)O 270004a_100000227577_100000212045 [0,2,0,0,0,0|0,0,2]=4 3563 B16R1.750 CN(CC(=O)N)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000747473 [0,2,0,0,0,0|1,0,1]=4 3564 B16R1.750 CN(CC(=O)N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000187820 [0,2,0,0,0,0|1,0,1]=4 3565 B16R1.750 CN(CC(=O)[O-])[C@H](CO)Cc1ccccc1 269982a_100016995599_100020667443 [0,2,0,0,0,0|1,0,1]=4 3566 B16R1.750 CN(CC(F)F)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011934356 [0,2,0,0,0,0|1,0,1]=4 3567 B16R1.750 CN(CC(F)F)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011934356 [0,2,0,0,0,0|1,0,1]=4 3568 B16R1.750 CN(C[N+](=O)[O-])[C@H](CO)Cc1ccccc1 269982a_100016995599_100000761209 [0,2,0,0,0,0|2,0,0]=4 3569 B16R1.750 C[C@@H](O)CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100009817552 [0,2,0,0,0,0|0,0,2]=4 3570 B16R1.750 C[C@@H](O)CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100009817552 [0,2,0,0,0,0|0,0,2]=4 3571 B16R1.1127 C#CC(C)NC(=O)C(C)Cc1ccccc1 11a_100000707721_100000754839 [0,2,0,0,0,0|2,0,0]=4 3572 B16R1.1127 C#CC(C)NC(=O)C(C)Cc1ccccc1 1626a_100000707721_100000754839 [0,2,0,0,0,0|2,0,0]=4 3573 B16R1.1127 C#CC(C)NC(=O)C(C)Cc1ccccc1 240690a_100000707721_100000754839 [0,2,0,0,0,0|2,0,0]=4 3574 B16R1.1127 C#CC(C)NC(=O)C(C)Cc1ccccc1 527a_100000707721_100000754839 [0,2,0,0,0,0|2,0,0]=4 3575 B16R1.1127 C#CC(C)NC(C)C(C)Cc1ccccc1 270004a_100000707721_200011390852 [0,2,0,0,0,0|1,0,0]=3 3576 B16R1.1127 C#CC(C)NC(C)C(C)Oc1ccccc1 270004a_100000707721_100000150574 [0,2,0,0,0,0|2,0,0]=4 3577 B16R1.1127 C=C(C#N)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100000694840 [0,2,0,0,0,0|1,0,1]=4 3578 B16R1.1127 C=C(C#N)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100000694840 [0,2,0,0,0,0|1,0,1]=4 3579 B16R1.1127 CC(Cc1ccccc1)N(C)CC(O)CO 269982a_100011216503_200011218536 [0,2,0,0,0,0|0,0,2]=4 3580 B16R1.1127 CCC(C)CN(C)C(C)Cc1ccccc1 269982a_100000753921_200011218536 [0,2,0,0,0,0|0,0,2]=4 3581 B16R1.4134 CC(C)C(C)N(C)C(C)Cc1ccccc1 269982a_100000228512_200011218536 [0,2,0,0,0,0|0,0,2]=4 3582 B16R1.4134 CC(Cc1ccccc1)N(C)C(C)C(=O)O 269956a_100000749554_200011218536 [0,2,0,0,0,0|1,0,1]=4 3583 B16R1.7412 C=C(C)CN(C)C(C)Cc1ccccc1Br 270004a_100000225649_100011350739 [0,2,0,0,0,0|0,0,2]=4 3584 B16R1.7412 C=C(C)CN(C)C(C)Cc1ccccc1C 270004a_100000225649_200000764500 [0,2,0,0,0,0|0,0,2]=4 3585 B16R1.7412 C=C(C)CN(C)C(C)Cc1ccccc1Cl 270004a_100000225649_100000758791 [0,2,0,0,0,0|0,0,2]=4 3586 B16R1.7412 C=C(C)CN(C)C(C)Cc1ccccc1F 270004a_100000225649_100000709178 [0,2,0,0,0,0|0,0,2]=4 3587 B16R1.7412 CC(C)CN(C)C(C)Cc1ccccc1Br 270004a_100000747067_100011350739 [0,2,0,0,0,0|0,0,2]=4 3588 B16R1.7412 CC(C)CN(C)C(C)Cc1ccccc1Cl 270004a_100000747067_100000758791 [0,2,0,0,0,0|0,0,2]=4 3589 B16R1.7412 CC(C)CN(C)C(C)Cc1ccccc1F 270004a_100000747067_100000709178 [0,2,0,0,0,0|0,0,2]=4 3590 B16R1.7412 CC(Cc1ccccc1Br)N(C)CC(=O)N 270004a_100000739694_100011350739 [0,2,0,0,0,0|1,0,1]=4 3591 B16R1.7412 CC(Cc1ccccc1Cl)N(C)CC(=O)N 270004a_100000739694_100000758791 [0,2,0,0,0,0|1,0,1]=4 3592 B16R1.7412 CC(Cc1ccccc1F)N(C)CC(=O)N 270004a_100000739694_100000709178 [0,2,0,0,0,0|1,0,1]=4 3593 B16R1.7412 CC(O)CN(C)C(C)Cc1ccccc1Br 270004a_100000227577_100011350739 [0,2,0,0,0,0|0,0,2]=4 3594 B16R1.7412 CC(O)CN(C)C(C)Cc1ccccc1Cl 270004a_100000227577_100000758791 [0,2,0,0,0,0|0,0,2]=4 3595 B16R1.7412 CC(O)CN(C)C(C)Cc1ccccc1F 270004a_100000227577_100000709178 [0,2,0,0,0,0|0,0,2]=4 3596 B16R1.7412 Cc1ccccc1CC(C)N(C)CC(=O)N 270004a_100000739694_200000764500 [0,2,0,0,0,0|1,0,1]=4 3597 B16R1.7412 Cc1ccccc1CC(C)N(C)CC(C)C 270004a_100000747067_200000764500 [0,2,0,0,0,0|0,0,2]=4 3598 B16R1.7412 Cc1ccccc1CC(C)N(C)CC(C)O 270004a_100000227577_200000764500 [0,2,0,0,0,0|0,0,2]=4 3599 B16R1.12572 CC(Cc1ccccc1)N(C)CC(C)(C)C 269982a_100000742839_200011218536 [0,2,0,0,0,0|0,0,2]=4 3600 B16R1.12572 CC(Cc1ccccc1)N(C)CC(C)(C)O 269982a_100000755907_200011218536 [0,2,0,0,0,0|0,0,2]=4 3601 B16R1.12572 CC(Cc1ccccc1)N(C)C[Si](C)(C)C 269982a_200020589227_200011218536 [0,2,0,0,0,0|0,1,1]=4 3602 B16R1.126 C#CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000688953 [0,2,0,0,0,0|0,0,0]=2 3603 B16R1.126 C#CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000730999 [0,2,0,0,0,0|0,0,0]=2 3604 B16R1.126 C/C=C/CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100102629194 [0,2,0,0,0,0|0,0,2]=4 3605 B16R1.126 C=CCCN(C)C(CC)Cc1ccccc1 270004a_100020639649_100000212045 [0,2,0,0,0,0|0,0,2]=4 3606 B16R1.126 C=CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000754431 [0,2,0,0,0,0|0,0,2]=4 3607 B16R1.126 C=CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000754431 [0,2,0,0,0,0|0,0,2]=4 3608 B16R1.126 CC#CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000748600 [0,2,0,0,0,0|0,0,0]=2 3609 B16R1.126 CC=CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000070051 [0,2,0,0,0,0|0,0,2]=4 3610 B16R1.126 CCC(Cc1ccccc1)N(C)CCC#N 270004a_100000184479_100000212045 [0,2,0,0,0,0|0,0,1]=3 3611 B16R1.126 CCC(Cc1ccccc1)N(C)CCCO 270004a_100000213112_100000212045 [0,2,0,0,0,0|0,0,2]=4 3612 B16R1.126 CCC(Cc1ccccc1)N(C)CCOC 270004a_100000743101_100000212045 [0,2,0,0,0,0|0,0,2]=4 3613 B16R1.126 CCC(Cc1ccccc1)N(C)CCSC 270004a_100000686725_100000212045 [0,2,0,0,0,0|0,0,2]=4 3614 B16R1.126 CCCCN(C)C(CC)Cc1ccccc1 270004a_100000207549_100000212045 [0,2,0,0,0,0|0,0,2]=4 3615 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210211 [0,2,0,0,0,0|0,0,2]=4 3616 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210211 [0,2,0,0,0,0|0,0,2]=4 3617 B16R1.126 CCOCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000739092 [0,2,0,0,0,0|0,0,2]=4 3618 B16R1.126 CN(CCC#N)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011215226 [0,2,0,0,0,0|0,0,1]=3 3619 B16R1.126 CN(CCC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011215226 [0,2,0,0,0,0|0,0,1]=3 3620 B16R1.126 CN(CCCF)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011934791 [0,2,0,0,0,0|0,0,2]=4 3621 B16R1.126 CN(CCCF)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011934791 [0,2,0,0,0,0|0,0,2]=4 3622 B16R1.126 CN(CCCO)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000230001 [0,2,0,0,0,0|0,0,2]=4 3623 B16R1.126 CN(CCCO)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011215043 [0,2,0,0,0,0|0,0,2]=4 3624 B16R1.126 CN(CSC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000211825 [0,2,0,0,0,0|1,0,0]=3 3625 B16R1.126 COCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011201679 [0,2,0,0,0,0|0,0,2]=4 3626 B16R1.126 COCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000233755 [0,2,0,0,0,0|0,0,2]=4 3627 B16R1.126 CSCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000751147 [0,2,0,0,0,0|0,0,2]=4 3628 B16R1.126 CSCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000212216 [0,2,0,0,0,0|0,0,2]=4 3629 B16R1.1216 C#CCCCC(=O)C(C)Cc1ccccc1 1458a_100000690238_200011218536 [0,2,0,0,0,0|2,0,0]=4 3630 B16R1.1216 C#CCCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000731252 [0,2,0,0,0,0|2,0,0]=4 3631 B16R1.1216 C#CCCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000731252 [0,2,0,0,0,0|1,0,0]=3 3632 B16R1.1216 C#CCCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100011215417 [0,2,0,0,0,0|1,0,0]=3 3633 B16R1.1216 C#CCCNC(=O)C(C)Cc1ccccc1 11a_100000755551_100000754839 [0,2,0,0,0,0|2,0,0]=4 3634 B16R1.1216 C#CCCNC(=O)C(C)Cc1ccccc1 1626a_100000755551_100000754839 [0,2,0,0,0,0|2,0,0]=4 3635 B16R1.1216 C#CCCNC(=O)C(C)Cc1ccccc1 240690a_100000755551_100000754839 [0,2,0,0,0,0|2,0,0]=4 3636 B16R1.1216 C#CCCNC(=O)C(C)Cc1ccccc1 527a_100000755551_100000754839 [0,2,0,0,0,0|2,0,0]=4 3637 B16R1.1216 C#CCOCC(=O)C(C)Cc1ccccc1 1458a_100011251226_200011218536 [0,2,0,0,0,0|2,0,0]=4 3638 B16R1.1216 CC#CCNC(=O)C(C)Cc1ccccc1 11a_100000685387_100000754839 [0,2,0,0,0,0|2,0,0]=4 3639 B16R1.1216 CC#CCNC(=O)C(C)Cc1ccccc1 1626a_100000685387_100000754839 [0,2,0,0,0,0|2,0,0]=4 3640 B16R1.1216 CC#CCNC(=O)C(C)Cc1ccccc1 527a_100000685387_100000754839 [0,2,0,0,0,0|2,0,0]=4 3641 B16R1.1216 CC(Cc1ccccc1)C(=O)CC#CCO 1458a_100000754839_200000047223 [0,2,0,0,0,0|2,0,0]=4 3642 B16R1.1216 CC(Cc1ccccc1)C(C)NCCC#N 270004a_100000720768_200011390852 [0,2,0,0,0,0|1,0,1]=4 3643 B16R1.1216 CC(Cc1ccccc1)N(C)CCCCO 269982a_100000717598_200011218536 [0,2,0,0,0,0|0,0,2]=4 3644 B16R1.1216 CC(Cc1ccccn1)N(C)CC#CCO 2230a_200011351704_200000047223 [0,2,0,0,0,0|1,0,0]=3 3645 B16R1.1216 CC(Cc1ccccn1)N(C)CCCC#N 2230a_200011351704_100000687738 [0,2,0,0,0,0|1,0,1]=4 3646 B16R1.1216 CC(Cc1ccccn1)N(C)CCCC#N 269982a_200011351704_100000687738 [0,2,0,0,0,0|1,0,1]=4 3647 B16R1.1216 CC(Cc1ccccn1)N(C)CCSC#N 269982a_200011351704_100000034367 [0,2,0,0,0,0|1,0,1]=4 3648 B16R1.1216 CCC#CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100009813939 [0,2,0,0,0,0|2,0,0]=4 3649 B16R1.1216 CCC#CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100009813939 [0,2,0,0,0,0|1,0,0]=3 3650 B16R1.1216 CCCCCN(C)C(C)Cc1ccccc1 269982a_100000223495_200011218536 [0,2,0,0,0,0|0,0,2]=4 3651 B16R1.1216 COCCCN(C)C(C)Cc1ccccc1 269982a_100000224831_200011218536 [0,2,0,0,0,0|0,0,2]=4 3652 B16R1.1244 CC(C(=O)c1ccccc1)N(C)CCC#N 2230a_100000184479_100000239700 [0,2,0,0,0,0|0,0,2]=4 3653 B16R1.1284 CC(C)CCN(C)C(C)Cc1ccccc1 269982a_100000742789_200011218536 [0,2,0,0,0,0|0,0,2]=4 3654 B16R1.1284 CC(Cc1ccccc1)N(C)CCN(C)C 269982a_100000225618_200011218536 [0,2,0,0,0,0|0,0,2]=4 3655 B16R1.1793 C#CCCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000753159 [0,2,0,0,0,0|2,0,0]=4 3656 B16R1.1793 C#CCNC(=O)C(C)(C)Cc1ccccc1 11a_100000212058_100000757416 [0,2,0,0,0,0|2,0,0]=4 3657 B16R1.1793 C#CCNC(=O)C(C)(C)Cc1ccccc1 1626a_100000212058_100000757416 [0,2,0,0,0,0|2,0,0]=4 3658 B16R1.1793 C#CCNC(=O)C(C)(C)Cc1ccccc1 240690a_100000212058_100000757416 [0,2,0,0,0,0|2,0,0]=4 3659 B16R1.1793 C#CCNC(=O)C(C)(C)Cc1ccccc1 527a_100000212058_100000757416 [0,2,0,0,0,0|2,0,0]=4 3660 B16R1.1793 CC#CCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000748600 [0,2,0,0,0,0|2,0,0]=4 3661 B16R1.4510 C#CCO[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_100000184674 [0,2,0,0,0,0|2,0,0]=4 3662 B16R1.4510 CCCCN(CC)C(C)Cc1ccccc1 269982a_100000207695_200011218536 [0,2,0,0,0,0|0,0,2]=4 3663 B16R1.4510 CCN(CCC#N)C(C)C[n+]1ccccc1 270004a_100000226048_100000034229 [0,2,0,0,0,0|1,0,1]=4 3664 B16R1.4510 CCN(CCC#N)C(C)Cc1cccnc1 270004a_100000226048_100015187140 [0,2,0,0,0,0|1,0,1]=4 3665 B16R1.4510 CCN(CCC#N)C(C)Cc1ccncc1 270004a_100000226048_100000238508 [0,2,0,0,0,0|1,0,1]=4 3666 B16R1.4510 CCN(CCOC)C(C)Cc1ccccc1 269982a_100000731262_200011218536 [0,2,0,0,0,0|0,0,2]=4 3667 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1Br 270004a_100020639649_100011350739 [0,2,0,0,0,0|0,0,2]=4 3668 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1C 270004a_100020639649_200000764500 [0,2,0,0,0,0|0,0,2]=4 3669 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1Cl 270004a_100020639649_100000758791 [0,2,0,0,0,0|0,0,2]=4 3670 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1F 270004a_100020639649_100000709178 [0,2,0,0,0,0|0,0,2]=4 3671 B16R1.7523 CC(Cc1ccccc1Br)N(C)CCC#N 270004a_100000184479_100011350739 [0,2,0,0,0,0|0,0,1]=3 3672 B16R1.7523 CC(Cc1ccccc1Br)N(C)CCCO 270004a_100000213112_100011350739 [0,2,0,0,0,0|0,0,2]=4 3673 B16R1.7523 CC(Cc1ccccc1Cl)N(C)CCC#N 270004a_100000184479_100000758791 [0,2,0,0,0,0|0,0,1]=3 3674 B16R1.7523 CC(Cc1ccccc1Cl)N(C)CCCO 270004a_100000213112_100000758791 [0,2,0,0,0,0|0,0,2]=4 3675 B16R1.7523 CC(Cc1ccccc1F)N(C)CCC#N 270004a_100000184479_100000709178 [0,2,0,0,0,0|0,0,1]=3 3676 B16R1.7523 CC(Cc1ccccc1F)N(C)CCCO 270004a_100000213112_100000709178 [0,2,0,0,0,0|0,0,2]=4 3677 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1Br 270004a_100000207549_100011350739 [0,2,0,0,0,0|0,0,2]=4 3678 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1C 270004a_100000207549_200000764500 [0,2,0,0,0,0|0,0,2]=4 3679 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1Cl 270004a_100000207549_100000758791 [0,2,0,0,0,0|0,0,2]=4 3680 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1F 270004a_100000207549_100000709178 [0,2,0,0,0,0|0,0,2]=4 3681 B16R1.7523 COCCN(C)C(C)Cc1ccccc1Br 270004a_100000743101_100011350739 [0,2,0,0,0,0|0,0,2]=4 3682 B16R1.7523 COCCN(C)C(C)Cc1ccccc1C 270004a_100000743101_200000764500 [0,2,0,0,0,0|0,0,2]=4 3683 B16R1.7523 COCCN(C)C(C)Cc1ccccc1Cl 270004a_100000743101_100000758791 [0,2,0,0,0,0|0,0,2]=4 3684 B16R1.7523 COCCN(C)C(C)Cc1ccccc1F 270004a_100000743101_100000709178 [0,2,0,0,0,0|0,0,2]=4 3685 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1Br 270004a_100000686725_100011350739 [0,2,0,0,0,0|0,0,2]=4 3686 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1C 270004a_100000686725_200000764500 [0,2,0,0,0,0|0,0,2]=4 3687 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1Cl 270004a_100000686725_100000758791 [0,2,0,0,0,0|0,0,2]=4 3688 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1F 270004a_100000686725_100000709178 [0,2,0,0,0,0|0,0,2]=4 3689 B16R1.7523 Cc1ccccc1CC(C)N(C)CCC#N 270004a_100000184479_200000764500 [0,2,0,0,0,0|0,0,1]=3 3690 B16R1.7523 Cc1ccccc1CC(C)N(C)CCCO 270004a_100000213112_200000764500 [0,2,0,0,0,0|0,0,2]=4 3691 B16R1.7523 Cc1cccnc1CC(C)N(C)CCC#N 270004a_100000184479_100011823981 [0,2,0,0,0,0|1,0,1]=4 3692 B16R1.1575 C#CCN(CC)C(=O)C(F)c1ccccc1 11a_100000744766_100000698975 [0,2,0,0,0,0|1,0,1]=4 3693 B16R1.1575 C#CCN(CC)C(=O)C(F)c1ccccc1 1626a_100000744766_100000698975 [0,2,0,0,0,0|1,0,1]=4 3694 B16R1.1575 C#CCN(CC)C(=O)C(F)c1ccccc1 240690a_100000744766_100000698975 [0,2,0,0,0,0|1,0,1]=4 3695 B16R1.1575 C#CCN(CC)C(=O)C(F)c1ccccc1 527a_100000744766_100000698975 [0,2,0,0,0,0|1,0,1]=4 3696 B16R1.1575 C#CCN(CC)C(=O)[C@@H](C)c1ccccc1 11a_100000744766_100000751047 [0,2,0,0,0,0|1,0,1]=4 3697 B16R1.1575 C#CCN(CC)C(=O)[C@@H](C)c1ccccc1 1626a_100000744766_100000751047 [0,2,0,0,0,0|1,0,1]=4 3698 B16R1.1575 C#CCN(CC)C(=O)[C@@H](C)c1ccccc1 240690a_100000744766_100000751047 [0,2,0,0,0,0|1,0,1]=4 3699 B16R1.1575 C#CCN(CC)C(=O)[C@@H](C)c1ccccc1 527a_100000744766_100000751047 [0,2,0,0,0,0|1,0,1]=4 3700 B16R1.1575 C#CCN(CC)C(=O)[C@H](O)c1ccccc1 240690a_100000744766_100000684486 [0,2,0,0,0,0|1,0,1]=4 3701 B16R1.1575 C#CCN(CC)C(C)C(=O)c1ccccc1 2230a_100000744766_100000239700 [0,2,0,0,0,0|0,0,1]=3 3702 B16R1.1575 C#CCN(CC)C(C)C(=O)c1ccccc1 269982a_100000744766_100000239700 [0,2,0,0,0,0|0,0,1]=3 3703 B16R1.4559 C#CCN(C)C(=O)C(CC)c1ccccc1 11a_100000225692_100000211302 [0,2,0,0,0,0|1,0,1]=4 3704 B16R1.4559 C#CCN(C)C(=O)C(CC)c1ccccc1 1626a_100000225692_100000211302 [0,2,0,0,0,0|1,0,1]=4 3705 B16R1.4559 C#CCN(C)C(=O)C(CC)c1ccccc1 527a_100000225692_100000211302 [0,2,0,0,0,0|1,0,1]=4 3706 B16R1.4559 C#CCN(C)C(=O)[C@H](OC)c1ccccc1 11a_100000225692_100000698336 [0,2,0,0,0,0|1,0,1]=4 3707 B16R1.4559 C#CCN(C)C(=O)[C@H](OC)c1ccccc1 1626a_100000225692_100000698336 [0,2,0,0,0,0|1,0,1]=4 3708 B16R1.4559 C#CCN(C)C(=O)[C@H](OC)c1ccccc1 527a_100000225692_100000698336 [0,2,0,0,0,0|1,0,1]=4 3709 B16R1.13247 C#CCN(C)C(=O)C(C)c1ccccc1Br 11a_100000225692_100012359601 [0,2,0,0,0,0|1,0,1]=4 3710 B16R1.13247 C#CCN(C)C(=O)C(C)c1ccccc1Br 1626a_100000225692_100012359601 [0,2,0,0,0,0|1,0,1]=4 3711 B16R1.13247 C#CCN(C)C(=O)C(C)c1ccccc1Br 527a_100000225692_100012359601 [0,2,0,0,0,0|1,0,1]=4 3712 B16R1.13247 C#CCN(C)C(=O)C(C)c1ccccc1Cl 11a_100000225692_100011667492 [0,2,0,0,0,0|1,0,1]=4 3713 B16R1.13247 C#CCN(C)C(=O)C(C)c1ccccc1Cl 1626a_100000225692_100011667492 [0,2,0,0,0,0|1,0,1]=4 3714 B16R1.13247 C#CCN(C)C(=O)C(C)c1ccccc1Cl 527a_100000225692_100011667492 [0,2,0,0,0,0|1,0,1]=4 3715 B16R1.13247 C#CCN(C)C(C)C(=O)c1ccccc1Cl 2230a_100000225692_100010255250 [0,2,0,0,0,0|0,0,1]=3 3716 B16R1.13247 CC(C(=O)c1ccccc1Cl)N(C)CC#N 2230a_100000748184_100010255250 [0,2,0,0,0,0|1,0,1]=4 3717 B16R1.14944 C#CCN(C)C(=O)C(C)(C)c1ccccc1 11a_100000225692_100000211857 [0,2,0,0,0,0|1,0,1]=4 3718 B16R1.14944 C#CCN(C)C(=O)C(C)(C)c1ccccc1 1626a_100000225692_100000211857 [0,2,0,0,0,0|1,0,1]=4 3719 B16R1.14944 C#CCN(C)C(=O)C(C)(C)c1ccccc1 527a_100000225692_100000211857 [0,2,0,0,0,0|1,0,1]=4 3720 B16R1.14944 C#CCN(C)C(=O)C(F)(F)c1ccccc1 11a_100000225692_100000182030 [0,2,0,0,0,0|1,0,1]=4 3721 B16R1.14944 C#CCN(C)C(=O)C(F)(F)c1ccccc1 1626a_100000225692_100000182030 [0,2,0,0,0,0|1,0,1]=4 3722 B16R1.14944 C#CCN(C)C(=O)C(F)(F)c1ccccc1 527a_100000225692_100000182030 [0,2,0,0,0,0|1,0,1]=4 3723 B16R1.15329 C#CCN(C)C(C)(C)C(=O)c1ccccc1 2230a_100000225692_200009813919 [0,2,0,0,0,0|0,0,1]=3 3724 B16R1.15329 CN(CC#N)C(C)(C)C(=O)c1ccccc1 2230a_100000748184_200009813919 [0,2,0,0,0,0|1,0,1]=4 3725 B16R1.1616 C#CCN(CC)C(CC)Cc1ccccc1 270004a_100000744766_100000212045 [0,2,0,0,0,0|0,0,0]=2 3726 B16R1.1616 CCC(Cc1ccccc1)N(CC)CCO 270004a_100000210973_100000212045 [0,2,0,0,0,0|1,0,1]=4 3727 B16R1.1616 CCCN(CC)C(CC)Cc1ccccc1 270004a_100000226822_100000212045 [0,2,0,0,0,0|0,0,2]=4 3728 B16R1.3308 C=CC(C)N(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011215867 [0,2,0,0,0,0|0,0,2]=4 3729 B16R1.3308 CC(C#N)N(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000184139 [0,2,0,0,0,0|1,0,0]=3 3730 B16R1.3308 CC(C#N)N(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000703298 [0,2,0,0,0,0|1,0,0]=3 3731 B16R1.3308 CC(CO)N(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100012180447 [0,2,0,0,0,0|1,0,1]=4 3732 B16R1.3308 CCC(C)N(C)C(CC)Cc1ccccc1 270004a_100000741768_100000212045 [0,2,0,0,0,0|0,0,2]=4 3733 B16R1.3308 CCC(C)N(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000758301 [0,2,0,0,0,0|0,0,2]=4 3734 B16R1.3308 CCC(C)N(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000758301 [0,2,0,0,0,0|0,0,2]=4 3735 B16R1.3308 CCC(Cc1ccccc1)N(C)C(C)C#N 270004a_100000745055_100000212045 [0,2,0,0,0,0|1,0,0]=3 3736 B16R1.3308 CCC(Cc1ccccc1)N(C)C(C)CO 270004a_100000693034_100000212045 [0,2,0,0,0,0|1,0,1]=4 3737 B16R1.3308 COC(C)N(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100009879195 [0,2,0,0,0,0|1,0,1]=4 3738 B16R1.3308 C[C@H](CO)N(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100016084084 [0,2,0,0,0,0|1,0,1]=4 3739 B16R1.13650 C#CCC(=O)[C@H](Cc1ccccc1)N(C)C 1458a_102495365803_100000184674 [0,2,0,0,0,0|2,0,0]=4 3740 B16R1.13650 C#CCN(C)C(Cc1ccccc1)C(C)C 270004a_100000225692_200000703227 [0,2,0,0,0,0|0,0,0]=2 3741 B16R1.13650 C=CCN(C)C(Cc1ccccc1)C(C)C 270004a_100000225617_200000703227 [0,2,0,0,0,0|0,0,2]=4 3742 B16R1.13650 CC(C)C(Cc1ccccc1)N(C)CCO 270004a_100000210263_200000703227 [0,2,0,0,0,0|1,0,1]=4 3743 B16R1.13650 CCCN(C)C(Cc1ccccc1)C(C)C 270004a_100000747261_200000703227 [0,2,0,0,0,0|0,0,2]=4 3744 B16R1.366 C#CC(C)(C)C(=O)C(C)Cc1ccccc1 1458a_100000079900_200011218536 [0,2,0,0,0,0|2,0,0]=4 3745 B16R1.366 C#CC(C)(C)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100000038118 [0,2,0,0,0,0|2,0,0]=4 3746 B16R1.366 CC(Cc1ccccc1)N(C)C(C)(C)CO 269982a_100015204102_200011218536 [0,2,0,0,0,0|1,0,1]=4 3747 B16R1.366 CC(Cc1ccccn1)N(C)C(C)(C)C#N 269982a_200011351704_100011162410 [0,2,0,0,0,0|2,0,0]=4 3748 B16R1.366 CCC(C)(C)N(C)C(C)Cc1ccccc1 269982a_200000755171_200011218536 [0,2,0,0,0,0|0,0,2]=4 3749 B16R1.568 CCC(CC)N(C)C(C)Cc1ccccc1 269982a_100000737045_200011218536 [0,2,0,0,0,0|0,0,2]=4 3750 B16R1.2764 C#CC(C)C(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000035995 [0,2,0,0,0,0|2,0,0]=4 3751 B16R1.5437 CC(C#N)N(C)C(C)Cc1ccccc1Br 270004a_100000745055_100011350739 [0,2,0,0,0,0|1,0,0]=3 3752 B16R1.5437 CC(C#N)N(C)C(C)Cc1ccccc1Cl 270004a_100000745055_100000758791 [0,2,0,0,0,0|1,0,0]=3 3753 B16R1.5437 CC(C#N)N(C)C(C)Cc1ccccc1F 270004a_100000745055_100000709178 [0,2,0,0,0,0|1,0,0]=3 3754 B16R1.5437 CC(CO)N(C)C(C)Cc1ccccc1Br 270004a_100000693034_100011350739 [0,2,0,0,0,0|1,0,1]=4 3755 B16R1.5437 CC(CO)N(C)C(C)Cc1ccccc1Cl 270004a_100000693034_100000758791 [0,2,0,0,0,0|1,0,1]=4 3756 B16R1.5437 CC(CO)N(C)C(C)Cc1ccccc1F 270004a_100000693034_100000709178 [0,2,0,0,0,0|1,0,1]=4 3757 B16R1.5437 CCC(C)N(C)C(C)Cc1ccccc1Br 270004a_100000741768_100011350739 [0,2,0,0,0,0|0,0,2]=4 3758 B16R1.5437 CCC(C)N(C)C(C)Cc1ccccc1C 270004a_100000741768_200000764500 [0,2,0,0,0,0|0,0,2]=4 3759 B16R1.5437 CCC(C)N(C)C(C)Cc1ccccc1Cl 270004a_100000741768_100000758791 [0,2,0,0,0,0|0,0,2]=4 3760 B16R1.5437 CCC(C)N(C)C(C)Cc1ccccc1F 270004a_100000741768_100000709178 [0,2,0,0,0,0|0,0,2]=4 3761 B16R1.5437 Cc1ccccc1CC(C)N(C)C(C)C#N 270004a_100000745055_200000764500 [0,2,0,0,0,0|1,0,0]=3 3762 B16R1.5437 Cc1ccccc1CC(C)N(C)C(C)CO 270004a_100000693034_200000764500 [0,2,0,0,0,0|1,0,1]=4 3763 B16R1.5437 Cc1cccnc1CC(C)N(C)C(C)C#N 270004a_100000745055_100011823981 [0,2,0,0,0,0|2,0,0]=4 3764 B16R1.5808 CCC(C)N(CC)C(C)Cc1ccccc1 269982a_100000732650_200011218536 [0,2,0,0,0,0|0,0,2]=4 3765 B16R1.5808 CCN(C(C)CO)C(C)Cc1ccccc1 269982a_100000731049_200011218536 [0,2,0,0,0,0|1,0,1]=4 3766 B16R1.4629 C#CCN(CC#C)C(C)C[n+]1ccccc1 270004a_100000765449_100000034229 [0,2,0,0,0,0|1,0,0]=3 3767 B16R1.4629 C#CCN(CC#C)C(C)Cc1ccccc1 2230a_100000705463_100000038162 [0,2,0,0,0,0|0,0,0]=2 3768 B16R1.4629 C#CCN(CC#C)C(C)Cc1ccccc1 34a_100000705463_100000184674 [0,2,0,0,0,0|0,0,0]=2 3769 B16R1.4629 C#CCN(CC#C)C(C)Cc1ccccc1 34a_100000765449_200011218536 [0,2,0,0,0,0|0,0,0]=2 3770 B16R1.4629 C#CCN(CC#C)C(C)Cc1cccnc1 270004a_100000765449_100015187140 [0,2,0,0,0,0|1,0,0]=3 3771 B16R1.4629 C#CCN(CC#C)C(C)Cc1ccncc1 270004a_100000765449_100000238508 [0,2,0,0,0,0|1,0,0]=3 3772 B16R1.4629 C#CCN(CC#C)C(C)Cc1cnccn1 270004a_100000765449_100015184882 [0,2,0,0,0,0|2,0,0]=4 3773 B16R1.4629 C#CCN(CC#N)C(C)Cc1ccccc1 2230a_100000705463_100011215382 [0,2,0,0,0,0|0,0,0]=2 3774 B16R1.4629 C#CCN(CC#N)C(C)Cc1ccccc1 269982a_100000705463_100011214920 [0,2,0,0,0,0|0,0,0]=2 3775 B16R1.4629 C#CCN(CC=C)C(C)C[n+]1ccccc1 270004a_100000731024_100000034229 [0,2,0,0,0,0|1,0,0]=3 3776 B16R1.4629 C#CCN(CC=C)C(C)Cc1ccccc1 2230a_100000705463_100000210623 [0,2,0,0,0,0|0,0,0]=2 3777 B16R1.4629 C#CCN(CC=C)C(C)Cc1ccccc1 269982a_100000705463_100000210623 [0,2,0,0,0,0|0,0,0]=2 3778 B16R1.4629 C#CCN(CC=C)C(C)Cc1ccccc1 34a_100000705463_100015514636 [0,2,0,0,0,0|0,0,0]=2 3779 B16R1.4629 C#CCN(CC=C)C(C)Cc1ccccc1 34a_100000731024_200011218536 [0,2,0,0,0,0|0,0,0]=2 3780 B16R1.4629 C#CCN(CC=C)C(C)Cc1cccnc1 270004a_100000731024_100015187140 [0,2,0,0,0,0|1,0,0]=3 3781 B16R1.4629 C#CCN(CC=C)C(C)Cc1ccncc1 270004a_100000731024_100000238508 [0,2,0,0,0,0|1,0,0]=3 3782 B16R1.4629 C#CCN(CC=C)C(C)Cc1cnccn1 270004a_100000731024_100015184882 [0,2,0,0,0,0|2,0,0]=4 3783 B16R1.4629 C#CCN(CC=O)C(C)Cc1ccccc1 2230a_100000705463_200015260668 [0,2,0,0,0,0|0,0,0]=2 3784 B16R1.4629 C#CCN(CC=O)C(C)Cc1ccccc1 269982a_100000705463_200015260668 [0,2,0,0,0,0|0,0,0]=2 3785 B16R1.4629 C#CCN(CC=O)C(C)Cc1ccccc1 34a_100000705463_200009817547 [0,2,0,0,0,0|0,0,0]=2 3786 B16R1.4629 C#CCN(CCC)C(C)Cc1ccccc1 2230a_100000705463_100000210303 [0,2,0,0,0,0|0,0,0]=2 3787 B16R1.4629 C#CCN(CCC)C(C)Cc1ccccc1 269982a_100000705463_100000210303 [0,2,0,0,0,0|0,0,0]=2 3788 B16R1.4629 C#CCN(CCC)C(C)Cc1ccccc1 34a_100000705463_100000210303 [0,2,0,0,0,0|0,0,0]=2 3789 B16R1.4629 C#CCN(CCF)C(C)Cc1ccccc1 2230a_100000705463_100011217306 [0,2,0,0,0,0|0,0,0]=2 3790 B16R1.4629 C#CCN(CCF)C(C)Cc1ccccc1 269982a_100000705463_100011217306 [0,2,0,0,0,0|0,0,0]=2 3791 B16R1.4629 C#CCN(CCF)C(C)Cc1ccccc1 34a_100000705463_100011217306 [0,2,0,0,0,0|0,0,0]=2 3792 B16R1.4629 C#CCN(CCO)C(C)Cc1ccccc1 2230a_100000705463_100000211926 [0,2,0,0,0,0|0,0,0]=2 3793 B16R1.4629 C#CCN(CCO)C(C)Cc1ccccc1 269982a_100000705463_100000211926 [0,2,0,0,0,0|0,0,0]=2 3794 B16R1.4629 C#CCN(CCO)C(C)Cc1ccccc1 34a_100000705463_100000211926 [0,2,0,0,0,0|0,0,0]=2 3795 B16R1.4629 C#CCN(COC)C(C)Cc1ccccc1 2230a_100000705463_100000766300 [0,2,0,0,0,0|0,0,0]=2 3796 B16R1.4629 C#CCN(COC)C(C)Cc1ccccc1 269982a_100000705463_100000766300 [0,2,0,0,0,0|0,0,0]=2 3797 B16R1.4629 C#CCN(CSC)C(C)Cc1ccccc1 2230a_100000705463_100011218213 [0,2,0,0,0,0|0,0,0]=2 3798 B16R1.4629 C#CCN(CSC)C(C)Cc1ccccc1 269982a_100000705463_100011218213 [0,2,0,0,0,0|0,0,0]=2 3799 B16R1.4629 C#CCN(CSC)C(C)Cc1ccccc1 34a_100000705463_100011218213 [0,2,0,0,0,0|0,0,0]=2 3800 B16R1.4629 C=CCN(CC=C)C(C)Cc1ccccc1 269982a_100000210471_200011218536 [0,2,0,0,0,0|0,0,2]=4 3801 B16R1.4629 CC(Cc1ccccc1)N(CCO)CCO 269982a_100000210587_200011218536 [0,2,0,0,0,0|1,0,1]=4 3802 B16R1.4629 CCCN(CCC)C(C)Cc1ccccc1 269982a_100000210455_200011218536 [0,2,0,0,0,0|0,0,2]=4 3803 B16R1.4629 CCCN(CCO)C(C)Cc1ccccc1 269982a_100000211420_200011218536 [0,2,0,0,0,0|0,0,2]=4 3804 B16R1.8157 C#CCN(CC)C(F)(F)Oc1ccccc1 269982a_100000744766_200000057402 [0,2,0,0,0,0|2,0,0]=4 3805 B16R1.8157 C#CCN(CC)S(=O)(=O)Cc1ccccc1 274078a_100000744766_100000211737 [0,2,0,0,0,0|2,0,0]=4 3806 B16R1.8157 C#CCN(CC)S(=O)(=O)Cc1ccccc1 40a_100000744766_100000235865 [0,2,0,0,0,0|2,0,0]=4 3807 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1Br 11a_100000744766_100000751119 [0,2,0,0,0,0|1,0,1]=4 3808 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1Br 240690a_100000744766_100000751119 [0,2,0,0,0,0|1,0,1]=4 3809 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1Br 527a_100000744766_100000751119 [0,2,0,0,0,0|1,0,1]=4 3810 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1C 11a_100000744766_100000212180 [0,2,0,0,0,0|1,0,1]=4 3811 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1C 1626a_100000744766_100000212180 [0,2,0,0,0,0|1,0,1]=4 3812 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1C 240690a_100000744766_100000212180 [0,2,0,0,0,0|1,0,1]=4 3813 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1C 527a_100000744766_100000212180 [0,2,0,0,0,0|1,0,1]=4 3814 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1Cl 11a_100000744766_100000183793 [0,2,0,0,0,0|1,0,1]=4 3815 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1Cl 1626a_100000744766_100000183793 [0,2,0,0,0,0|1,0,1]=4 3816 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1Cl 240690a_100000744766_100000183793 [0,2,0,0,0,0|1,0,1]=4 3817 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1Cl 527a_100000744766_100000183793 [0,2,0,0,0,0|1,0,1]=4 3818 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1F 11a_100000744766_100000212012 [0,2,0,0,0,0|1,0,1]=4 3819 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1F 1626a_100000744766_100000212012 [0,2,0,0,0,0|1,0,1]=4 3820 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1F 240690a_100000744766_100000212012 [0,2,0,0,0,0|1,0,1]=4 3821 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1F 527a_100000744766_100000212012 [0,2,0,0,0,0|1,0,1]=4 3822 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1I 11a_100000744766_100000036491 [0,2,0,0,0,0|1,0,1]=4 3823 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1I 1626a_100000744766_100000036491 [0,2,0,0,0,0|1,0,1]=4 3824 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1I 240690a_100000744766_100000036491 [0,2,0,0,0,0|1,0,1]=4 3825 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1I 527a_100000744766_100000036491 [0,2,0,0,0,0|1,0,1]=4 3826 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1O 240690a_100000744766_100000743006 [0,2,0,0,0,0|1,0,1]=4 3827 B16R1.13307 C#CCN(CC)C(=O)Cc1ccccc1O 527a_100000744766_100000743006 [0,2,0,0,0,0|1,0,1]=4 3828 B16R1.13307 C#CCN(CC)C(C)Cc1ccccc1Br 270004a_100000744766_100011350739 [0,2,0,0,0,0|0,0,0]=2 3829 B16R1.13307 C#CCN(CC)C(C)Cc1ccccc1C 270004a_100000744766_200000764500 [0,2,0,0,0,0|0,0,0]=2 3830 B16R1.13307 C#CCN(CC)C(C)Cc1ccccc1Cl 270004a_100000744766_100000758791 [0,2,0,0,0,0|0,0,0]=2 3831 B16R1.13307 C#CCN(CC)C(C)Cc1ccccc1F 270004a_100000744766_100000709178 [0,2,0,0,0,0|0,0,0]=2 3832 B16R1.13307 C#CCN(CC)C(C)Cc1ncccc1C 270004a_100000744766_100011823981 [0,2,0,0,0,0|1,0,0]=3 3833 B16R1.13307 CCCN(CC)C(C)Cc1ccccc1Br 270004a_100000226822_100011350739 [0,2,0,0,0,0|0,0,2]=4 3834 B16R1.13307 CCCN(CC)C(C)Cc1ccccc1C 270004a_100000226822_200000764500 [0,2,0,0,0,0|0,0,2]=4 3835 B16R1.13307 CCCN(CC)C(C)Cc1ccccc1Cl 270004a_100000226822_100000758791 [0,2,0,0,0,0|0,0,2]=4 3836 B16R1.13307 CCCN(CC)C(C)Cc1ccccc1F 270004a_100000226822_100000709178 [0,2,0,0,0,0|0,0,2]=4 3837 B16R1.13307 CCN(CCO)C(C)Cc1ccccc1Br 270004a_100000210973_100011350739 [0,2,0,0,0,0|1,0,1]=4 3838 B16R1.13307 CCN(CCO)C(C)Cc1ccccc1C 270004a_100000210973_200000764500 [0,2,0,0,0,0|1,0,1]=4 3839 B16R1.13307 CCN(CCO)C(C)Cc1ccccc1Cl 270004a_100000210973_100000758791 [0,2,0,0,0,0|1,0,1]=4 3840 B16R1.13307 CCN(CCO)C(C)Cc1ccccc1F 270004a_100000210973_100000709178 [0,2,0,0,0,0|1,0,1]=4 3841 B16R1.13398 C#CCN(C(=O)C)C(C)Cc1ccccc1 11a_100000705463_100015343762 [0,2,0,0,0,0|0,0,0]=2 3842 B16R1.13398 C#CCN(C(=O)C)C(C)Cc1ccccc1 1626a_100000705463_100015343762 [0,2,0,0,0,0|0,0,0]=2 3843 B16R1.13398 C#CCN(C(=O)C)C(C)Cc1ccccc1 240690a_100000705463_100015343762 [0,2,0,0,0,0|0,0,0]=2 3844 B16R1.13398 C#CCN(C(=O)C)C(C)Cc1ccccc1 527a_100000705463_100103153847 [0,2,0,0,0,0|0,0,0]=2 3845 B16R1.13398 C#CCN(C(C)C)C(C)Cc1ccccc1 2230a_100000705463_100000210206 [0,2,0,0,0,0|0,0,0]=2 3846 B16R1.13398 C#CCN(C(C)C)C(C)Cc1ccccc1 269982a_100000705463_100000210206 [0,2,0,0,0,0|0,0,0]=2 3847 B16R1.13398 C#CCN(C(C)C)C(C)Cc1ccccc1 34a_100000705463_100000210206 [0,2,0,0,0,0|0,0,0]=2 3848 B16R1.13398 C=CCN(C(C)C)C(C)Cc1ccccc1 269982a_100000742772_200011218536 [0,2,0,0,0,0|0,0,2]=4 3849 B16R1.13398 CC(C)N(CCO)C(C)Cc1ccccc1 269982a_100000224655_200011218536 [0,2,0,0,0,0|1,0,1]=4 3850 B16R1.13398 CCCN(C(C)C)C(C)Cc1ccccc1 269982a_106256033942_200011218536 [0,2,0,0,0,0|0,0,2]=4 3851 B16R1.4968 C#CCN(C)C(=O)Cc1ccccc1C#N 11a_100000225692_100000238613 [0,2,0,0,0,0|1,0,1]=4 3852 B16R1.4968 C#CCN(C)C(=O)Cc1ccccc1C#N 527a_100000225692_100000238613 [0,2,0,0,0,0|1,0,1]=4 3853 B16R1.4968 C#CCN(C)C(=O)Cc1ccccc1OC 11a_100000225692_100000211604 [0,2,0,0,0,0|1,0,1]=4 3854 B16R1.4968 C#CCN(C)C(=O)Cc1ccccc1OC 1626a_100000225692_100000211604 [0,2,0,0,0,0|1,0,1]=4 3855 B16R1.4968 C#CCN(C)C(=O)Cc1ccccc1OC 527a_100000225692_100000211604 [0,2,0,0,0,0|1,0,1]=4 3856 B16R1.4968 C#CCN(C)C(C)Cc1ccccc1OC 2230a_100000764087_100000038162 [0,2,0,0,0,0|0,0,0]=2 3857 B16R1.4968 C#CCN(C)C(C)Cc1ccccc1OC 270004a_100000225692_100000211486 [0,2,0,0,0,0|0,0,0]=2 3858 B16R1.4968 C=CCN(C)C(C)Cc1ccccc1OC 2230a_100000764087_100000210623 [0,2,0,0,0,0|0,0,2]=4 3859 B16R1.4968 C=CCN(C)C(C)Cc1ccccc1OC 269982a_100000764087_100000210623 [0,2,0,0,0,0|0,0,2]=4 3860 B16R1.4968 C=CCN(C)C(C)Cc1ccccc1OC 270004a_100000225617_100000211486 [0,2,0,0,0,0|0,0,2]=4 3861 B16R1.4968 CCCN(C)C(C)Cc1ccccc1OC 2230a_100000764087_100000210303 [0,2,0,0,0,0|0,0,2]=4 3862 B16R1.4968 CCCN(C)C(C)Cc1ccccc1OC 269982a_100000764087_100000210303 [0,2,0,0,0,0|0,0,2]=4 3863 B16R1.4968 CCCN(C)C(C)Cc1ccccc1OC 270004a_100000747261_100000211486 [0,2,0,0,0,0|0,0,2]=4 3864 B16R1.4968 COCN(C)C(C)Cc1ccccc1OC 2230a_100000764087_100000766300 [0,2,0,0,0,0|1,0,1]=4 3865 B16R1.4968 COCN(C)C(C)Cc1ccccc1OC 269982a_100000764087_100000766300 [0,2,0,0,0,0|1,0,1]=4 3866 B16R1.4968 COc1ccccc1CC(C)N(C)CC#N 2230a_100000764087_100011215382 [0,2,0,0,0,0|1,0,0]=3 3867 B16R1.4968 COc1ccccc1CC(C)N(C)CC#N 269982a_100000764087_100011214920 [0,2,0,0,0,0|1,0,0]=3 3868 B16R1.4968 COc1ccccc1CC(C)N(C)CC=O 2230a_100000764087_200015260668 [0,2,0,0,0,0|1,0,1]=4 3869 B16R1.4968 COc1ccccc1CC(C)N(C)CC=O 269982a_100000764087_200015260668 [0,2,0,0,0,0|1,0,1]=4 3870 B16R1.4968 COc1ccccc1CC(C)N(C)CCF 2230a_100000764087_100011217306 [0,2,0,0,0,0|1,0,1]=4 3871 B16R1.4968 COc1ccccc1CC(C)N(C)CCF 269982a_100000764087_100011217306 [0,2,0,0,0,0|1,0,1]=4 3872 B16R1.4968 COc1ccccc1CC(C)N(C)CCO 2230a_100000764087_100000211926 [0,2,0,0,0,0|1,0,1]=4 3873 B16R1.4968 COc1ccccc1CC(C)N(C)CCO 269982a_100000764087_100000211926 [0,2,0,0,0,0|1,0,1]=4 3874 B16R1.4968 COc1ccccc1CC(C)N(C)CCO 270004a_100000210263_100000211486 [0,2,0,0,0,0|1,0,1]=4 3875 B16R1.4968 COc1ccccc1CC(C)N(C)CSC 2230a_100000764087_100011218213 [0,2,0,0,0,0|1,0,1]=4 3876 B16R1.4968 COc1ccccc1CC(C)N(C)CSC 269982a_100000764087_100011218213 [0,2,0,0,0,0|1,0,1]=4 3877 B16R1.13848 C#CCC(=O)C(C)(C)Cc1ccccc1F 1458a_200011736048_100000184674 [0,2,0,0,0,0|2,0,0]=4 3878 B16R1.13848 C#CCN(C)S(=O)(=O)Cc1ccccc1Br 274078a_100000225692_100000765529 [0,2,0,0,0,0|2,0,0]=4 3879 B16R1.13848 C#CCN(C)S(=O)(=O)Cc1ccccc1C 274078a_100000225692_100000750338 [0,2,0,0,0,0|2,0,0]=4 3880 B16R1.13848 C#CCN(C)S(=O)(=O)Cc1ccccc1Cl 274078a_100000225692_100000750118 [0,2,0,0,0,0|2,0,0]=4 3881 B16R1.13848 C#CCN(C)S(=O)(=O)Cc1ccccc1F 274078a_100000225692_100000739656 [0,2,0,0,0,0|2,0,0]=4 3882 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)Br 11a_100000225692_100010209379 [0,2,0,0,0,0|1,0,1]=4 3883 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)Br 527a_100000225692_100010209379 [0,2,0,0,0,0|1,0,1]=4 3884 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)C 11a_100000225692_100010147022 [0,2,0,0,0,0|1,0,1]=4 3885 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)C 1626a_100000225692_100010147022 [0,2,0,0,0,0|1,0,1]=4 3886 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)C 527a_100000225692_100010147022 [0,2,0,0,0,0|1,0,1]=4 3887 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)Cl 11a_100000225692_100013084675 [0,2,0,0,0,0|1,0,1]=4 3888 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)Cl 1626a_100000225692_100013084675 [0,2,0,0,0,0|1,0,1]=4 3889 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)Cl 527a_100000225692_100013084675 [0,2,0,0,0,0|1,0,1]=4 3890 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)F 11a_100000225692_100010172741 [0,2,0,0,0,0|1,0,1]=4 3891 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)F 1626a_100000225692_100010172741 [0,2,0,0,0,0|1,0,1]=4 3892 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Br)F 527a_100000225692_100010172741 [0,2,0,0,0,0|1,0,1]=4 3893 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1C)C 11a_100000225692_100000689862 [0,2,0,0,0,0|1,0,1]=4 3894 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1C)C 1626a_100000225692_100000689862 [0,2,0,0,0,0|1,0,1]=4 3895 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1C)C 527a_100000225692_100000689862 [0,2,0,0,0,0|1,0,1]=4 3896 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Cl)Cl 11a_100000225692_100000211232 [0,2,0,0,0,0|1,0,1]=4 3897 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Cl)Cl 1626a_100000225692_100000211232 [0,2,0,0,0,0|1,0,1]=4 3898 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Cl)Cl 527a_100000225692_100000211232 [0,2,0,0,0,0|1,0,1]=4 3899 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Cl)F 11a_100000225692_100000185183 [0,2,0,0,0,0|1,0,1]=4 3900 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Cl)F 1626a_100000225692_100000185183 [0,2,0,0,0,0|1,0,1]=4 3901 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1Cl)F 527a_100000225692_100000185183 [0,2,0,0,0,0|1,0,1]=4 3902 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1F)F 11a_100000225692_100000684726 [0,2,0,0,0,0|1,0,1]=4 3903 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1F)F 1626a_100000225692_100000684726 [0,2,0,0,0,0|1,0,1]=4 3904 B16R1.106639 C#CCN(C)C(=O)Cc1c(cccc1F)F 527a_100000225692_100000684726 [0,2,0,0,0,0|1,0,1]=4 3905 B16R1.106639 C#CCN(C)C(C)Cc1c(cccc1Cl)Cl 270004a_100000225692_100000692661 [0,2,0,0,0,0|0,0,0]=2 3906 B16R1.106639 C=CCN(C)C(C)Cc1c(cccc1Cl)Cl 270004a_100000225617_100000692661 [0,2,0,0,0,0|0,0,2]=4 3907 B16R1.106639 CC(Cc1c(cccc1Cl)Cl)N(C)CCO 270004a_100000210263_100000692661 [0,2,0,0,0,0|1,0,1]=4 3908 B16R1.106639 CCCN(C)C(C)Cc1c(cccc1Cl)Cl 270004a_100000747261_100000692661 [0,2,0,0,0,0|0,0,2]=4 3909 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [1,0,0,1,0,0|0,0,2]=4 3910 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [1,0,0,1,0,0|0,0,2]=4 3911 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [1,0,0,1,0,0|0,0,2]=4 3912 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [1,0,0,1,0,0|1,0,1]=4 3913 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [1,0,0,1,0,0|1,0,1]=4 3914 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [1,0,0,1,0,0|1,0,1]=4 3915 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [1,0,0,1,0,0|0,0,2]=4 3916 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [1,0,0,1,0,0|0,0,2]=4 3917 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [1,0,0,1,0,0|0,0,2]=4 3918 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [1,0,0,1,0,0|1,0,1]=4 3919 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [1,0,0,1,0,0|1,0,1]=4 3920 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [1,0,0,1,0,0|1,0,1]=4 3921 B14R2.30 CN1CCCC1Cc2ccccc2 2230a_100159249835_200000210301 [1,0,0,1,0,0|0,0,2]=4 3922 B14R2.30 CN1CCCC1Cc2ccccc2 269982a_100159249835_200000210301 [1,0,0,1,0,0|0,0,2]=4 3923 B14R2.30 CN1CCCC1Cc2ccccc2 34a_100159249835_200000210301 [1,0,0,1,0,0|0,0,2]=4 3924 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 2230a_100159249835_200025704644 [1,0,0,1,0,0|0,0,2]=4 3925 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 269982a_100159249835_200025704644 [1,0,0,1,0,0|0,0,2]=4 3926 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 34a_100159249835_200025704644 [1,0,0,1,0,0|0,0,2]=4 3927 B14R2.33 C#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000038162 [1,0,0,1,0,0|0,0,0]=2 3928 B14R2.33 C#CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000184674 [1,0,0,1,0,0|0,0,0]=2 3929 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210623 [1,0,0,1,0,0|0,0,2]=4 3930 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210623 [1,0,0,1,0,0|0,0,2]=4 3931 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015514636 [1,0,0,1,0,0|0,0,2]=4 3932 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210303 [1,0,0,1,0,0|0,0,2]=4 3933 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210303 [1,0,0,1,0,0|0,0,2]=4 3934 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210303 [1,0,0,1,0,0|0,0,2]=4 3935 B14R2.33 COCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000766300 [1,0,0,1,0,0|1,0,1]=4 3936 B14R2.33 COCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000766300 [1,0,0,1,0,0|1,0,1]=4 3937 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011218213 [1,0,0,1,0,0|1,0,1]=4 3938 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011218213 [1,0,0,1,0,0|1,0,1]=4 3939 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011218213 [1,0,0,1,0,0|1,0,1]=4 3940 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011217306 [1,0,0,1,0,0|1,0,1]=4 3941 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011217306 [1,0,0,1,0,0|1,0,1]=4 3942 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011217306 [1,0,0,1,0,0|1,0,1]=4 3943 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011215382 [1,0,0,1,0,0|1,0,0]=3 3944 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011214920 [1,0,0,1,0,0|1,0,0]=3 3945 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200015260668 [1,0,0,1,0,0|1,0,1]=4 3946 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200015260668 [1,0,0,1,0,0|1,0,1]=4 3947 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_200009817547 [1,0,0,1,0,0|1,0,1]=4 3948 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000211926 [1,0,0,1,0,0|1,0,1]=4 3949 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000211926 [1,0,0,1,0,0|1,0,1]=4 3950 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000211926 [1,0,0,1,0,0|1,0,1]=4 3951 B14R2.41 N#CCN1CC(C1)c2cccnc2 269982a_100015183634_100011214920 [1,0,0,1,0,0|2,0,0]=4 3952 B14R2.41 N#CCN1CC(C1)c2ccncc2 269982a_100015185986_100011214920 [1,0,0,1,0,0|2,0,0]=4 3953 B14R2.101 C1=CCN(C1)CCc2ccccc2 269982a_100015195280_100000765856 [1,0,0,1,0,0|0,0,2]=4 3954 B14R2.101 c1ccc(cc1)CCN2CCCC2 2230a_100000188435_100000765856 [1,0,0,1,0,0|0,0,2]=4 3955 B14R2.101 c1ccc(cc1)CCN2CCCC2 269982a_100000188435_100000765856 [1,0,0,1,0,0|0,0,2]=4 3956 B14R2.101 c1ccc(cc1)CCN2CCSC2 2230a_100011215254_100000765856 [1,0,0,1,0,0|1,0,1]=4 3957 B14R2.101 c1ccc(cc1)CCN2CCSC2 269982a_100011215254_100000765856 [1,0,0,1,0,0|1,0,1]=4 3958 B14R2.112 C#CCN1CCc2ccccc2C1 2230a_100000188457_100000038162 [1,0,0,1,0,0|0,0,0]=2 3959 B14R2.112 C#CCN1CCc2ccccc2C1 34a_100000188457_100000184674 [1,0,0,1,0,0|0,0,0]=2 3960 B14R2.112 C#CCN1CCc2cccnc2C1 2230a_100015206102_100000038162 [1,0,0,1,0,0|1,0,0]=3 3961 B14R2.112 C#CCN1CCc2ccncc2C1 2230a_100015190008_100000038162 [1,0,0,1,0,0|1,0,0]=3 3962 B14R2.112 C#CCN1CCc2cnccc2C1 2230a_100020645890_100000038162 [1,0,0,1,0,0|1,0,0]=3 3963 B14R2.112 C#CCN1CCc2ncccc2C1 2230a_100000699647_100000038162 [1,0,0,1,0,0|1,0,0]=3 3964 B14R2.112 C#CCN1CCc2ncncc2C1 2230a_100012000121_100000038162 [1,0,0,1,0,0|2,0,0]=4 3965 B14R2.112 C=CCN1CCc2ccccc2C1 2230a_100000188457_100000210623 [1,0,0,1,0,0|0,0,2]=4 3966 B14R2.112 C=CCN1CCc2ccccc2C1 269982a_100000188457_100000210623 [1,0,0,1,0,0|0,0,2]=4 3967 B14R2.112 C=CCN1CCc2ccccc2C1 34a_100000188457_100015514636 [1,0,0,1,0,0|0,0,2]=4 3968 B14R2.112 CCCN1CCc2ccccc2C1 2230a_100000188457_100000210303 [1,0,0,1,0,0|0,0,2]=4 3969 B14R2.112 CCCN1CCc2ccccc2C1 269982a_100000188457_100000210303 [1,0,0,1,0,0|0,0,2]=4 3970 B14R2.112 CCCN1CCc2ccccc2C1 34a_100000188457_100000210303 [1,0,0,1,0,0|0,0,2]=4 3971 B14R2.112 COCN1CCc2ccccc2C1 2230a_100000188457_100000766300 [1,0,0,1,0,0|1,0,1]=4 3972 B14R2.112 COCN1CCc2ccccc2C1 269982a_100000188457_100000766300 [1,0,0,1,0,0|1,0,1]=4 3973 B14R2.112 CSCN1CCc2ccccc2C1 2230a_100000188457_100011218213 [1,0,0,1,0,0|1,0,1]=4 3974 B14R2.112 CSCN1CCc2ccccc2C1 269982a_100000188457_100011218213 [1,0,0,1,0,0|1,0,1]=4 3975 B14R2.112 CSCN1CCc2ccccc2C1 34a_100000188457_100011218213 [1,0,0,1,0,0|1,0,1]=4 3976 B14R2.112 FCCN1CCc2ccccc2C1 2230a_100000188457_100011217306 [1,0,0,1,0,0|1,0,1]=4 3977 B14R2.112 FCCN1CCc2ccccc2C1 269982a_100000188457_100011217306 [1,0,0,1,0,0|1,0,1]=4 3978 B14R2.112 FCCN1CCc2ccccc2C1 34a_100000188457_100011217306 [1,0,0,1,0,0|1,0,1]=4 3979 B14R2.112 N#CCN1CCc2ccccc2C1 2230a_100000188457_100011215382 [1,0,0,1,0,0|1,0,0]=3 3980 B14R2.112 N#CCN1CCc2ccccc2C1 269982a_100000188457_100011214920 [1,0,0,1,0,0|1,0,0]=3 3981 B14R2.112 N#CCN1CCc2cccnc2C1 2230a_100015206102_100011215382 [1,0,0,1,0,0|2,0,0]=4 3982 B14R2.112 N#CCN1CCc2cccnc2C1 269982a_100015206102_100011214920 [1,0,0,1,0,0|2,0,0]=4 3983 B14R2.112 N#CCN1CCc2ccncc2C1 2230a_100015190008_100011215382 [1,0,0,1,0,0|2,0,0]=4 3984 B14R2.112 N#CCN1CCc2ccncc2C1 269982a_100015190008_100011214920 [1,0,0,1,0,0|2,0,0]=4 3985 B14R2.112 N#CCN1CCc2cnccc2C1 2230a_100020645890_100011215382 [1,0,0,1,0,0|2,0,0]=4 3986 B14R2.112 N#CCN1CCc2cnccc2C1 269982a_100020645890_100011214920 [1,0,0,1,0,0|2,0,0]=4 3987 B14R2.112 N#CCN1CCc2ncccc2C1 2230a_100000699647_100011215382 [1,0,0,1,0,0|2,0,0]=4 3988 B14R2.112 N#CCN1CCc2ncccc2C1 269982a_100000699647_100011214920 [1,0,0,1,0,0|2,0,0]=4 3989 B14R2.112 O=CCN1CCc2ccccc2C1 2230a_100000188457_200015260668 [1,0,0,1,0,0|1,0,1]=4 3990 B14R2.112 O=CCN1CCc2ccccc2C1 269982a_100000188457_200015260668 [1,0,0,1,0,0|1,0,1]=4 3991 B14R2.112 O=CCN1CCc2ccccc2C1 34a_100000188457_200009817547 [1,0,0,1,0,0|1,0,1]=4 3992 B14R2.112 OCCN1CCc2ccccc2C1 2230a_100000188457_100000211926 [1,0,0,1,0,0|1,0,1]=4 3993 B14R2.112 OCCN1CCc2ccccc2C1 269982a_100000188457_100000211926 [1,0,0,1,0,0|1,0,1]=4 3994 B14R2.112 OCCN1CCc2ccccc2C1 34a_100000188457_100000211926 [1,0,0,1,0,0|1,0,1]=4 3995 B14R2.203 CCC1c2ccccc2CCN1C 2230a_100000755828_200000210301 [1,0,0,1,0,0|0,0,2]=4 3996 B14R2.203 CCC1c2ccccc2CCN1C 269982a_100000755828_200000210301 [1,0,0,1,0,0|0,0,2]=4 3997 B14R2.203 CCC1c2ccccc2CCN1C 34a_100000755828_200000210301 [1,0,0,1,0,0|0,0,2]=4 3998 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 2230a_100000755828_200025704644 [1,0,0,1,0,0|0,0,2]=4 3999 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 269982a_100000755828_200025704644 [1,0,0,1,0,0|0,0,2]=4 4000 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 34a_100000755828_200025704644 [1,0,0,1,0,0|0,0,2]=4 4001 B14R2.436 CC1CN(C1)CCc2ccccc2 2230a_100000702820_100000765856 [1,0,0,1,0,0|0,0,2]=4 4002 B14R2.436 CC1CN(C1)CCc2ccccc2 269982a_100000702820_100000765856 [1,0,0,1,0,0|0,0,2]=4 4003 B14R2.436 CC1CN(C1)CCc2ccccc2 34a_100000702820_100000765856 [1,0,0,1,0,0|0,0,2]=4 4004 B14R2.436 FC1CN(C1)CCc2ccccc2 2230a_100000690557_100000765856 [1,0,0,1,0,0|1,0,1]=4 4005 B14R2.436 FC1CN(C1)CCc2ccccc2 269982a_100000690557_100000765856 [1,0,0,1,0,0|1,0,1]=4 4006 B14R2.436 FC1CN(C1)CCc2ccccc2 34a_100000690557_100000765856 [1,0,0,1,0,0|1,0,1]=4 4007 B14R2.436 OC1CN(C1)CCc2ccccc2 269982a_100000749847_100000765856 [1,0,0,1,0,0|1,0,1]=4 4008 B14R2.2899 CN(CCc1ccccc1)C2CC2 2230a_100000226674_100000765856 [1,0,0,1,0,0|0,0,2]=4 4009 B14R2.2899 CN(CCc1ccccc1)C2CC2 269982a_100000207497_100000211595 [1,0,0,1,0,0|0,0,2]=4 4010 B14R2.2899 CN(CCc1ccccc1)C2CC2 269982a_100000226674_100000765856 [1,0,0,1,0,0|0,0,2]=4 4011 B14R2.33858 C#CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000184674 [1,0,0,1,0,0|2,0,0]=4 4012 B14R2.33858 C=CCN(C)C1Cc2c1cccc2 269982a_100000225617_100009813401 [1,0,0,1,0,0|0,0,2]=4 4013 B14R2.33858 CCCN(C)C1Cc2c1cccc2 269982a_100000747261_100009813401 [1,0,0,1,0,0|0,0,2]=4 4014 B14R2.33858 CN(CCO)C1Cc2c1cccc2 269982a_100000210263_100009813401 [1,0,0,1,0,0|1,0,1]=4 4015 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000038162 [1,0,0,1,0,0|0,0,0]=2 4016 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000184674 [1,0,0,1,0,0|0,0,0]=2 4017 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210623 [1,0,0,1,0,0|0,0,2]=4 4018 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015514636 [1,0,0,1,0,0|0,0,2]=4 4019 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210303 [1,0,0,1,0,0|0,0,2]=4 4020 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210303 [1,0,0,1,0,0|0,0,2]=4 4021 B14R2.66 COCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000766300 [1,0,0,1,0,0|1,0,1]=4 4022 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011218213 [1,0,0,1,0,0|1,0,1]=4 4023 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011218213 [1,0,0,1,0,0|1,0,1]=4 4024 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011217306 [1,0,0,1,0,0|1,0,1]=4 4025 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011217306 [1,0,0,1,0,0|1,0,1]=4 4026 B14R2.66 N#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215382 [1,0,0,1,0,0|1,0,0]=3 4027 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200015260668 [1,0,0,1,0,0|1,0,1]=4 4028 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200009817547 [1,0,0,1,0,0|1,0,1]=4 4029 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000211926 [1,0,0,1,0,0|1,0,1]=4 4030 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000211926 [1,0,0,1,0,0|1,0,1]=4 4031 B14R2.67 C#CCCN1Cc2ccccc2C1 2230a_100000752595_100000688953 [1,0,0,1,0,0|2,0,0]=4 4032 B14R2.67 C#CCCN1Cc2ccccc2C1 269982a_100000752595_100000730999 [1,0,0,1,0,0|2,0,0]=4 4033 B14R2.67 C#CCCN1Cc2ccccc2C1 34a_100000752595_100000688953 [1,0,0,1,0,0|2,0,0]=4 4034 B14R2.67 C#CCNC1Cc2ccccc2C1 2230a_100000753258_100000038162 [1,0,0,1,0,0|0,0,0]=2 4035 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000212058_100000753484 [1,0,0,1,0,0|0,0,0]=2 4036 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000753258_100000184674 [1,0,0,1,0,0|0,0,0]=2 4037 B14R2.67 C#CCOC1Cc2ccccc2C1 34a_100000210247_100000753484 [1,0,0,1,0,0|1,0,0]=3 4038 B14R2.67 C#CCOC1Cc2ccccc2C1 34a_100011215286_100000184674 [1,0,0,1,0,0|1,0,0]=3 4039 B14R2.67 C#CCSC1Cc2ccccc2C1 62a_100000038162_100000753484 [1,0,0,1,0,0|1,0,0]=3 4040 B14R2.67 C=CCNC1Cc2ccccc2C1 2230a_100000753258_100000210623 [1,0,0,1,0,0|0,0,2]=4 4041 B14R2.67 C=CCNC1Cc2ccccc2C1 34a_100000753258_100015514636 [1,0,0,1,0,0|0,0,2]=4 4042 B14R2.67 CCCNC1Cc2ccccc2C1 2230a_100000753258_100000210303 [1,0,0,1,0,0|0,0,2]=4 4043 B14R2.67 CCCNC1Cc2ccccc2C1 34a_100000753258_100000210303 [1,0,0,1,0,0|0,0,2]=4 4044 B14R2.67 COCNC1Cc2ccccc2C1 2230a_100000753258_100000766300 [1,0,0,1,0,0|1,0,1]=4 4045 B14R2.67 CSCNC1Cc2ccccc2C1 2230a_100000753258_100011218213 [1,0,0,1,0,0|1,0,1]=4 4046 B14R2.67 CSCNC1Cc2ccccc2C1 34a_100000753258_100011218213 [1,0,0,1,0,0|1,0,1]=4 4047 B14R2.67 FCCNC1Cc2ccccc2C1 2230a_100000753258_100011217306 [1,0,0,1,0,0|1,0,1]=4 4048 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000724931_100000753484 [1,0,0,1,0,0|1,0,1]=4 4049 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000753258_100011217306 [1,0,0,1,0,0|1,0,1]=4 4050 B14R2.67 N#CCNC1Cc2ccccc2C1 2230a_100000753258_100011215382 [1,0,0,1,0,0|1,0,0]=3 4051 B14R2.67 N#CCSC1Cc2ccccc2C1 62a_100011215382_100000753484 [1,0,0,1,0,0|2,0,0]=4 4052 B14R2.67 O=CCNC1Cc2ccccc2C1 2230a_100000753258_200015260668 [1,0,0,1,0,0|1,0,1]=4 4053 B14R2.67 O=CCNC1Cc2ccccc2C1 34a_100000753258_200009817547 [1,0,0,1,0,0|1,0,1]=4 4054 B14R2.67 OCCNC1Cc2ccccc2C1 2230a_100000753258_100000211926 [1,0,0,1,0,0|1,0,1]=4 4055 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100000753258_100000211926 [1,0,0,1,0,0|1,0,1]=4 4056 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100016990907_100000753484 [1,0,0,1,0,0|1,0,1]=4 4057 B14R2.9589 CC(Cc1ccccc1)N2CCC2 269982a_100000754969_200011218536 [1,0,0,1,0,0|0,0,2]=4 4058 B14R2.9593 CC(Cc1ccccc1)NC2CC2 34a_100000212008_200011218536 [1,0,0,1,0,0|0,0,2]=4 4059 B14R2.972 C#CC(=O)C1Cc2ccccc2C1 1458a_100000211873_100000753484 [1,0,0,1,0,0|2,0,0]=4 4060 B14R2.972 C#CC(C)N1Cc2ccccc2C1 34a_100000752595_200000035995 [1,0,0,1,0,0|2,0,0]=4 4061 B14R2.972 CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210202 [1,0,0,1,0,0|0,0,1]=3 4062 B14R2.972 CCN(C)C1Cc2ccccc2C1 269982a_100000225621_100000753484 [1,0,0,1,0,0|0,0,1]=3 4063 B14R2.972 CCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000204670 [1,0,0,1,0,0|0,0,1]=3 4064 B14R2.972 CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000210202 [1,0,0,1,0,0|0,0,1]=3 4065 B14R2.972 CN(CF)C1Cc2ccccc2C1 269982a_100016990990_100015361967 [1,0,0,1,0,0|1,0,0]=3 4066 B14R2.972 CN(CF)C1Cc2ccccc2C1 34a_100016990990_100015361967 [1,0,0,1,0,0|1,0,0]=3 4067 B14R2.35 C#CCN1CCC1c2ccccc2 2230a_100000739605_100000038162 [0,0,0,1,1,0|0,0,0]=2 4068 B14R2.35 C=CCN1CCC1c2ccccc2 2230a_100000739605_100000210623 [0,0,0,1,1,0|0,0,2]=4 4069 B14R2.35 C=CCN1CCC1c2ccccc2 269982a_100000739605_100000210623 [0,0,0,1,1,0|0,0,2]=4 4070 B14R2.35 CCCN1CCC1c2ccccc2 2230a_100000739605_100000210303 [0,0,0,1,1,0|0,0,2]=4 4071 B14R2.35 CCCN1CCC1c2ccccc2 269982a_100000739605_100000210303 [0,0,0,1,1,0|0,0,2]=4 4072 B14R2.35 COCN1CCC1c2ccccc2 2230a_100000739605_100000766300 [0,0,0,1,1,0|1,0,1]=4 4073 B14R2.35 COCN1CCC1c2ccccc2 269982a_100000739605_100000766300 [0,0,0,1,1,0|1,0,1]=4 4074 B14R2.35 CSCN1CCC1c2ccccc2 2230a_100000739605_100011218213 [0,0,0,1,1,0|1,0,1]=4 4075 B14R2.35 CSCN1CCC1c2ccccc2 269982a_100000739605_100011218213 [0,0,0,1,1,0|1,0,1]=4 4076 B14R2.35 FCCN1CCC1c2ccccc2 2230a_100000739605_100011217306 [0,0,0,1,1,0|1,0,1]=4 4077 B14R2.35 FCCN1CCC1c2ccccc2 269982a_100000739605_100011217306 [0,0,0,1,1,0|1,0,1]=4 4078 B14R2.35 N#CCN1CCC1c2ccccc2 2230a_100000739605_100011215382 [0,0,0,1,1,0|1,0,0]=3 4079 B14R2.35 N#CCN1CCC1c2ccccc2 269982a_100000739605_100011214920 [0,0,0,1,1,0|1,0,0]=3 4080 B14R2.35 O=CCN1CCC1c2ccccc2 2230a_100000739605_200015260668 [0,0,0,1,1,0|1,0,1]=4 4081 B14R2.35 O=CCN1CCC1c2ccccc2 269982a_100000739605_200015260668 [0,0,0,1,1,0|1,0,1]=4 4082 B14R2.35 OCCN1CCC1c2ccccc2 2230a_100000739605_100000211926 [0,0,0,1,1,0|1,0,1]=4 4083 B14R2.35 OCCN1CCC1c2ccccc2 269982a_100000739605_100000211926 [0,0,0,1,1,0|1,0,1]=4 4084 B14R2.114 CC(c1ccccc1)N2CC=CC2 269982a_100015195280_100000230085 [0,0,0,1,1,0|0,0,2]=4 4085 B14R2.114 CC(c1ccccc1)N2CCCC2 2230a_100000188435_100000230085 [0,0,0,1,1,0|0,0,2]=4 4086 B14R2.114 CC(c1ccccc1)N2CCCC2 269982a_100000188435_100000230085 [0,0,0,1,1,0|0,0,2]=4 4087 B14R2.114 CC(c1ccccc1)N2CCSC2 2230a_100011215254_100000230085 [0,0,0,1,1,0|1,0,1]=4 4088 B14R2.114 CC(c1ccccc1)N2CCSC2 269982a_100011215254_100000230085 [0,0,0,1,1,0|1,0,1]=4 4089 B14R2.422 CC(c1ccccc1)N2CC(C2)F 2230a_100000690557_100000230085 [0,0,0,1,1,0|1,0,1]=4 4090 B14R2.422 CC(c1ccccc1)N2CC(C2)F 269982a_100000690557_100000230085 [0,0,0,1,1,0|1,0,1]=4 4091 B14R2.422 CC(c1ccccc1)N2CC(C2)F 34a_100000690557_100000211855 [0,0,0,1,1,0|1,0,1]=4 4092 B14R2.422 CC(c1ccccc1)N2CC(C2)O 269982a_100000749847_100000230085 [0,0,0,1,1,0|1,0,1]=4 4093 B14R2.422 CC1CN(C1)C(C)c2ccccc2 2230a_100000702820_100000230085 [0,0,0,1,1,0|0,0,2]=4 4094 B14R2.422 CC1CN(C1)C(C)c2ccccc2 269982a_100000702820_100000230085 [0,0,0,1,1,0|0,0,2]=4 4095 B14R2.422 CC1CN(C1)C(C)c2ccccc2 34a_100000702820_100000211855 [0,0,0,1,1,0|0,0,2]=4 4096 B14R2.15694 CC(c1ccccc1)N(C)C2CC2 2230a_100000226674_100000230085 [0,0,0,1,1,0|0,0,2]=4 4097 B14R2.15694 CC(c1ccccc1)N(C)C2CC2 269982a_100000195388_100000211595 [0,0,0,1,1,0|0,0,2]=4 4098 B14R2.15694 CC(c1ccccc1)N(C)C2CC2 269982a_100000226674_100000230085 [0,0,0,1,1,0|0,0,2]=4 4099 B16R2.92 C#CCN1CCC(C1)Oc2ccccc2 2230a_200015184049_100000038162 [0,0,0,1,0,1|1,0,0]=3 4100 B16R2.92 C#CCN1CC[C@H](C1)Oc2ccccn2 2230a_100015190322_100000038162 [0,0,0,1,0,1|2,0,0]=4 4101 B16R2.92 N#CCN1CCC(C1)Oc2ccccc2 2230a_200015184049_100011215382 [0,0,0,1,0,1|2,0,0]=4 4102 B16R2.92 N#CCN1CCC(C1)Oc2ccccc2 269982a_200015184049_100011214920 [0,0,0,1,0,1|2,0,0]=4 4103 B16R2.725 C#CCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100011220946 [0,0,0,1,0,1|2,0,0]=4 4104 B16R2.725 C#CCC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100011220946 [0,0,0,1,0,1|2,0,0]=4 4105 B16R2.725 CC(CC#N)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009813641 [0,0,0,1,0,1|2,0,0]=4 4106 B16R2.725 CC(CC#N)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100009813641 [0,0,0,1,0,1|2,0,0]=4 4107 B16R2.734 C#CCC(=O)CC1Cc2ccccc2C1 1458a_100011217126_100000184674 [0,0,0,1,0,1|2,0,0]=4 4108 B16R2.734 C#CCC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100011220946 [0,0,0,1,0,1|2,0,0]=4 4109 B16R2.734 C#CCC(=O)NC1Cc2ccccc2C1 527a_100000753258_100011220946 [0,0,0,1,0,1|2,0,0]=4 4110 B16R2.734 C#CCC(C)OC1Cc2ccccc2C1 34a_100000685586_100000753484 [0,0,0,1,0,1|1,0,0]=3 4111 B16R2.734 C#CCC(C)OC1Cc2ccccc2C1 7a_100000685586_100000753484 [0,0,0,1,0,1|1,0,0]=3 4112 B16R2.734 CC(CC#N)NC1Cc2ccccc2C1 2230a_100000753258_100009813641 [0,0,0,1,0,1|2,0,0]=4 4113 B16R2.734 CC(CC#N)SC1Cc2ccccc2C1 62a_100009813641_100000753484 [0,0,0,1,0,1|2,0,0]=4 4114 B16R2.789 C#CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100011220946 [0,0,0,1,0,1|2,0,0]=4 4115 B16R2.789 C#CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100011220946 [0,0,0,1,0,1|2,0,0]=4 4116 B16R2.789 CC(CC#N)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009813641 [0,0,0,1,0,1|2,0,0]=4 4117 B16R2.71 CN1CCCCC1CCc2ccccc2 2230a_100025719017_200000210301 [0,0,0,1,0,1|0,0,2]=4 4118 B16R2.71 CN1CCCCC1CCc2ccccc2 269982a_100025719017_200000210301 [0,0,0,1,0,1|0,0,2]=4 4119 B16R2.71 CN1CCCCC1CCc2ccccc2 34a_100025719017_200000210301 [0,0,0,1,0,1|0,0,2]=4 4120 B16R2.71 CN1CCCCC1CNc2ccccc2 34a_100000106764_100015186950 [0,0,0,1,0,1|0,0,2]=4 4121 B16R2.71 CN1CCCCC1COc2ccccc2 34a_100000210340_100015186950 [0,0,0,1,0,1|0,0,2]=4 4122 B16R2.71 CN1CCCCC1COc2ccccc2 7a_100000210340_100015185383 [0,0,0,1,0,1|0,0,2]=4 4123 B16R2.71 CN1CCCCC1CSc2ccccc2 62a_100000719477_100015185383 [0,0,0,1,0,1|0,0,2]=4 4124 B16R2.71 CN1CCCCC1CSc2ccccc2 62a_100015185383_100000041952 [0,0,0,1,0,1|0,0,2]=4 4125 B16R2.71 [13CH3]N1CCCCC1CCc2ccccc2 2230a_100025719017_200025704644 [0,0,0,1,0,1|0,0,2]=4 4126 B16R2.71 [13CH3]N1CCCCC1CCc2ccccc2 269982a_100025719017_200025704644 [0,0,0,1,0,1|0,0,2]=4 4127 B16R2.71 [13CH3]N1CCCCC1CCc2ccccc2 34a_100025719017_200025704644 [0,0,0,1,0,1|0,0,2]=4 4128 B16R2.762 C#CCC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_100000184674 [0,0,0,1,0,1|2,0,0]=4 4129 B16R2.762 C#CCN(C)C1CC(C1)c2ccccc2 270004a_100000225692_100000741317 [0,0,0,1,0,1|0,0,0]=2 4130 B16R2.762 C=CCN(C)C1CC(C1)c2ccccc2 270004a_100000225617_100000741317 [0,0,0,1,0,1|0,0,2]=4 4131 B16R2.762 CCCN(C)C1CC(C1)c2ccccc2 270004a_100000747261_100000741317 [0,0,0,1,0,1|0,0,2]=4 4132 B16R2.762 CN(CCO)C1CC(C1)c2ccccc2 270004a_100000210263_100000741317 [0,0,0,1,0,1|1,0,1]=4 4133 B16R2.767 C#CCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000184674 [0,0,0,1,0,1|2,0,0]=4 4134 B16R2.767 C#CCC(=O)C1COc2ccccc2C1 1458a_100000203760_100000184674 [0,0,0,1,0,1|2,0,0]=4 4135 B16R2.767 C#CCC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100000184674 [0,0,0,1,0,1|2,0,0]=4 4136 B16R2.767 C#CCN(C)C1CCc2ccccc2C1 270004a_100000225692_100000212018 [0,0,0,1,0,1|0,0,0]=2 4137 B16R2.767 C#CCN(C)C1COc2ccccc2C1 270004a_100000225692_100000048293 [0,0,0,1,0,1|0,0,0]=2 4138 B16R2.767 C=CCN(C)C1CCc2ccccc2C1 270004a_100000225617_100000212018 [0,0,0,1,0,1|0,0,2]=4 4139 B16R2.767 C=CCN(C)C1COc2ccccc2C1 270004a_100000225617_100000048293 [0,0,0,1,0,1|0,0,2]=4 4140 B16R2.767 CCCN(C)C1CCc2ccccc2C1 2230a_100000744008_200000210301 [0,0,0,1,0,1|0,0,2]=4 4141 B16R2.767 CCCN(C)C1CCc2ccccc2C1 269982a_100000744008_200000210301 [0,0,0,1,0,1|0,0,2]=4 4142 B16R2.767 CCCN(C)C1CCc2ccccc2C1 270004a_100000747261_100000212018 [0,0,0,1,0,1|0,0,2]=4 4143 B16R2.767 CCCN(C)C1CCc2ccccc2C1 34a_100000744008_200000210301 [0,0,0,1,0,1|0,0,2]=4 4144 B16R2.767 CCCN(C)C1COc2ccccc2C1 270004a_100000747261_100000048293 [0,0,0,1,0,1|0,0,2]=4 4145 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 2230a_100000744008_200025704644 [0,0,0,1,0,1|0,0,2]=4 4146 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 269982a_100000744008_200025704644 [0,0,0,1,0,1|0,0,2]=4 4147 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 34a_100000744008_200025704644 [0,0,0,1,0,1|0,0,2]=4 4148 B16R2.767 CN(CCO)C1CCc2ccccc2C1 270004a_100000210263_100000212018 [0,0,0,1,0,1|1,0,1]=4 4149 B16R2.767 CN(CCO)C1COc2ccccc2C1 270004a_100000210263_100000048293 [0,0,0,1,0,1|1,0,1]=4 4150 B16R2.2238 CC(CCc1ccccc1)N2CCCC2 270004a_100000188435_100000210092 [0,0,0,1,0,1|0,0,2]=4 4151 B16R2.2238 CC(CCc1ccccc1)N2CCSC2 270004a_100011215254_100000210092 [0,0,0,1,0,1|1,0,1]=4 4152 B16R2.2238 CC(COc1ccccc1)N2CCCC2 270004a_100000188435_100000150576 [0,0,0,1,0,1|0,0,2]=4 4153 B16R2.2238 CC(COc1ccccc1)N2CCCC2 7a_100000210340_200015187269 [0,0,0,1,0,1|0,0,2]=4 4154 B16R2.2238 CC(COc1ccccc1)N2CCSC2 270004a_100011215254_100000150576 [0,0,0,1,0,1|1,0,1]=4 4155 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 270004a_100000188435_100000150717 [0,0,0,1,0,1|0,0,2]=4 4156 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 62a_100000719477_200015187269 [0,0,0,1,0,1|0,0,2]=4 4157 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 62a_200015187269_100000041952 [0,0,0,1,0,1|0,0,2]=4 4158 B16R2.2238 CC(CSc1ccccc1)N2CCSC2 270004a_100011215254_100000150717 [0,0,0,1,0,1|1,0,1]=4 4159 B16R2.3322 CC(CCc1ccccc1)N2CC(C2)F 270004a_100000690557_100000210092 [0,0,0,1,0,1|1,0,1]=4 4160 B16R2.3322 CC(COc1ccccc1)N2CC(C2)F 270004a_100000690557_100000150576 [0,0,0,1,0,1|1,0,1]=4 4161 B16R2.3322 CC(CSc1ccccc1)N2CC(C2)F 270004a_100000690557_100000150717 [0,0,0,1,0,1|1,0,1]=4 4162 B16R2.3322 CC1CN(C1)C(C)CCc2ccccc2 270004a_100000702820_100000210092 [0,0,0,1,0,1|0,0,2]=4 4163 B16R2.3322 CC1CN(C1)C(C)COc2ccccc2 270004a_100000702820_100000150576 [0,0,0,1,0,1|0,0,2]=4 4164 B16R2.3322 CC1CN(C1)C(C)CSc2ccccc2 270004a_100000702820_100000150717 [0,0,0,1,0,1|0,0,2]=4 4165 B16R2.44151 CC(CCc1ccccc1)N(C)C2CC2 270004a_100000226674_100000210092 [0,0,0,1,0,1|0,0,2]=4 4166 B16R2.44151 CC(COc1ccccc1)N(C)C2CC2 270004a_100000226674_100000150576 [0,0,0,1,0,1|0,0,2]=4 4167 B16R2.44151 CC(CSc1ccccc1)N(C)C2CC2 270004a_100000226674_100000150717 [0,0,0,1,0,1|0,0,2]=4 4168 B16R2.249491 C#CCN(C)C(=O)C1Cc2c1cccc2 11a_100000225692_200000238571 [0,0,0,1,0,1|1,0,1]=4 4169 B16R2.249491 C#CCN(C)C(=O)C1Cc2c1cccc2 1626a_100000225692_200000238571 [0,0,0,1,0,1|1,0,1]=4 4170 B16R2.249491 C#CCN(C)C(=O)C1Cc2c1cccc2 527a_100000225692_200000238571 [0,0,0,1,0,1|1,0,1]=4 4171 B16R2.133 CC(Cc1ccc(cc1)Br)N2CCCC2 270004a_100000188435_100000691760 [0,1,0,1,0,0|0,0,2]=4 4172 B16R2.133 CC(Cc1ccc(cc1)Br)N2CCSC2 270004a_100011215254_100000691760 [0,1,0,1,0,0|1,0,1]=4 4173 B16R2.133 CC(Cc1ccc(cc1)Cl)N2CCCC2 270004a_100000188435_100000747806 [0,1,0,1,0,0|0,0,2]=4 4174 B16R2.133 CC(Cc1ccc(cc1)Cl)N2CCSC2 270004a_100011215254_100000747806 [0,1,0,1,0,0|1,0,1]=4 4175 B16R2.133 CC(Cc1ccc(cc1)F)N2CCCC2 270004a_100000188435_100000745281 [0,1,0,1,0,0|0,0,2]=4 4176 B16R2.133 CC(Cc1ccc(cc1)F)N2CCSC2 270004a_100011215254_100000745281 [0,1,0,1,0,0|1,0,1]=4 4177 B16R2.133 CC(Cc1ccc(cc1)O)N2CCCC2 270004a_100000188435_100011218180 [0,1,0,1,0,0|0,0,2]=4 4178 B16R2.133 CC(Cc1ccc(cc1)O)N2CCSC2 270004a_100011215254_100011218180 [0,1,0,1,0,0|1,0,1]=4 4179 B16R2.133 Cc1ccc(cc1)CC(C)N2CCCC2 270004a_100000188435_100000751045 [0,1,0,1,0,0|0,0,2]=4 4180 B16R2.133 Cc1ccc(cc1)CC(C)N2CCSC2 270004a_100011215254_100000751045 [0,1,0,1,0,0|1,0,1]=4 4181 B16R2.723 C#CCC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_100000184674 [0,1,0,1,0,0|2,0,0]=4 4182 B16R2.723 C#CCC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_100000184674 [0,1,0,1,0,0|2,0,0]=4 4183 B16R2.723 C#CCC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_100000184674 [0,1,0,1,0,0|2,0,0]=4 4184 B16R2.755 C#CCN(C)C1Cc2ccc(cc2C1)Br 270004a_100000225692_100010185598 [0,1,0,1,0,0|0,0,0]=2 4185 B16R2.755 C=CCN(C)C1Cc2ccc(cc2C1)Br 270004a_100000225617_100010185598 [0,1,0,1,0,0|0,0,2]=4 4186 B16R2.755 CCCN(C)C1Cc2ccc(cc2C1)Br 270004a_100000747261_100010185598 [0,1,0,1,0,0|0,0,2]=4 4187 B16R2.755 CN(CCO)C1Cc2ccc(cc2C1)Br 270004a_100000210263_100010185598 [0,1,0,1,0,0|1,0,1]=4 4188 B16R2.1129 Cc1ccc(cc1)CC2CCCCN2C 2230a_200020622180_200000210301 [0,1,0,1,0,0|0,0,2]=4 4189 B16R2.1129 Cc1ccc(cc1)CC2CCCCN2C 269982a_200020622180_200000210301 [0,1,0,1,0,0|0,0,2]=4 4190 B16R2.1129 Cc1ccc(cc1)CC2CCCCN2C 34a_200020622180_200000210301 [0,1,0,1,0,0|0,0,2]=4 4191 B16R2.1129 Cc1ccc(cc1)CC2CCCCN2[13CH3] 2230a_200020622180_200025704644 [0,1,0,1,0,0|0,0,2]=4 4192 B16R2.1129 Cc1ccc(cc1)CC2CCCCN2[13CH3] 269982a_200020622180_200025704644 [0,1,0,1,0,0|0,0,2]=4 4193 B16R2.1129 Cc1ccc(cc1)CC2CCCCN2[13CH3] 34a_200020622180_200025704644 [0,1,0,1,0,0|0,0,2]=4 4194 B16R2.1134 CC(Cc1ccc(cc1)Br)N2CC(C2)F 270004a_100000690557_100000691760 [0,1,0,1,0,0|1,0,1]=4 4195 B16R2.1134 CC(Cc1ccc(cc1)Cl)N2CC(C2)F 270004a_100000690557_100000747806 [0,1,0,1,0,0|1,0,1]=4 4196 B16R2.1134 CC(Cc1ccc(cc1)F)N2CC(C2)F 270004a_100000690557_100000745281 [0,1,0,1,0,0|1,0,1]=4 4197 B16R2.1134 CC(Cc1ccc(cc1)O)N2CC(C2)F 270004a_100000690557_100011218180 [0,1,0,1,0,0|1,0,1]=4 4198 B16R2.1134 CC1CN(C1)C(C)Cc2ccc(cc2)Br 270004a_100000702820_100000691760 [0,1,0,1,0,0|0,0,2]=4 4199 B16R2.1134 CC1CN(C1)C(C)Cc2ccc(cc2)Cl 270004a_100000702820_100000747806 [0,1,0,1,0,0|0,0,2]=4 4200 B16R2.1134 CC1CN(C1)C(C)Cc2ccc(cc2)F 270004a_100000702820_100000745281 [0,1,0,1,0,0|0,0,2]=4 4201 B16R2.1134 CC1CN(C1)C(C)Cc2ccc(cc2)O 270004a_100000702820_100011218180 [0,1,0,1,0,0|0,0,2]=4 4202 B16R2.1134 Cc1ccc(cc1)CC(C)N2CC(C2)C 270004a_100000702820_100000751045 [0,1,0,1,0,0|0,0,2]=4 4203 B16R2.1134 Cc1ccc(cc1)CC(C)N2CC(C2)F 270004a_100000690557_100000751045 [0,1,0,1,0,0|1,0,1]=4 4204 B16R2.6538 C#CCN1Cc2cc(ccc2CC1C)Br 2230a_200000706634_100000038162 [0,1,0,1,0,0|0,0,0]=2 4205 B16R2.6538 C#CCN1Cc2cc(ccc2CC1C)Br 34a_200000706634_100000184674 [0,1,0,1,0,0|0,0,0]=2 4206 B16R2.6538 C=CCN1Cc2cc(ccc2CC1C)Br 2230a_200000706634_100000210623 [0,1,0,1,0,0|0,0,2]=4 4207 B16R2.6538 C=CCN1Cc2cc(ccc2CC1C)Br 269982a_200000706634_100000210623 [0,1,0,1,0,0|0,0,2]=4 4208 B16R2.6538 C=CCN1Cc2cc(ccc2CC1C)Br 34a_200000706634_100015514636 [0,1,0,1,0,0|0,0,2]=4 4209 B16R2.6538 CC1Cc2ccc(cc2CN1CC#N)Br 2230a_200000706634_100011215382 [0,1,0,1,0,0|1,0,0]=3 4210 B16R2.6538 CC1Cc2ccc(cc2CN1CC#N)Br 269982a_200000706634_100011214920 [0,1,0,1,0,0|1,0,0]=3 4211 B16R2.6538 CC1Cc2ccc(cc2CN1CC=O)Br 2230a_200000706634_200015260668 [0,1,0,1,0,0|1,0,1]=4 4212 B16R2.6538 CC1Cc2ccc(cc2CN1CC=O)Br 269982a_200000706634_200015260668 [0,1,0,1,0,0|1,0,1]=4 4213 B16R2.6538 CC1Cc2ccc(cc2CN1CC=O)Br 34a_200000706634_200009817547 [0,1,0,1,0,0|1,0,1]=4 4214 B16R2.6538 CC1Cc2ccc(cc2CN1CCF)Br 2230a_200000706634_100011217306 [0,1,0,1,0,0|1,0,1]=4 4215 B16R2.6538 CC1Cc2ccc(cc2CN1CCF)Br 269982a_200000706634_100011217306 [0,1,0,1,0,0|1,0,1]=4 4216 B16R2.6538 CC1Cc2ccc(cc2CN1CCF)Br 34a_200000706634_100011217306 [0,1,0,1,0,0|1,0,1]=4 4217 B16R2.6538 CC1Cc2ccc(cc2CN1CCO)Br 2230a_200000706634_100000211926 [0,1,0,1,0,0|1,0,1]=4 4218 B16R2.6538 CC1Cc2ccc(cc2CN1CCO)Br 269982a_200000706634_100000211926 [0,1,0,1,0,0|1,0,1]=4 4219 B16R2.6538 CC1Cc2ccc(cc2CN1CCO)Br 34a_200000706634_100000211926 [0,1,0,1,0,0|1,0,1]=4 4220 B16R2.6538 CCCN1Cc2cc(ccc2CC1C)Br 2230a_200000706634_100000210303 [0,1,0,1,0,0|0,0,2]=4 4221 B16R2.6538 CCCN1Cc2cc(ccc2CC1C)Br 269982a_200000706634_100000210303 [0,1,0,1,0,0|0,0,2]=4 4222 B16R2.6538 CCCN1Cc2cc(ccc2CC1C)Br 34a_200000706634_100000210303 [0,1,0,1,0,0|0,0,2]=4 4223 B16R2.6538 COCN1Cc2cc(ccc2CC1C)Br 2230a_200000706634_100000766300 [0,1,0,1,0,0|1,0,1]=4 4224 B16R2.6538 COCN1Cc2cc(ccc2CC1C)Br 269982a_200000706634_100000766300 [0,1,0,1,0,0|1,0,1]=4 4225 B16R2.6538 CSCN1Cc2cc(ccc2CC1C)Br 2230a_200000706634_100011218213 [0,1,0,1,0,0|1,0,1]=4 4226 B16R2.6538 CSCN1Cc2cc(ccc2CC1C)Br 269982a_200000706634_100011218213 [0,1,0,1,0,0|1,0,1]=4 4227 B16R2.6538 CSCN1Cc2cc(ccc2CC1C)Br 34a_200000706634_100011218213 [0,1,0,1,0,0|1,0,1]=4 4228 B16R2.11555 CC(Cc1ccc(cc1)Br)N(C)C2CC2 270004a_100000226674_100000691760 [0,1,0,1,0,0|0,0,2]=4 4229 B16R2.11555 CC(Cc1ccc(cc1)Cl)N(C)C2CC2 270004a_100000226674_100000747806 [0,1,0,1,0,0|0,0,2]=4 4230 B16R2.11555 CC(Cc1ccc(cc1)F)N(C)C2CC2 270004a_100000226674_100000745281 [0,1,0,1,0,0|0,0,2]=4 4231 B16R2.11555 CC(Cc1ccc(cc1)O)N(C)C2CC2 270004a_100000226674_100011218180 [0,1,0,1,0,0|0,0,2]=4 4232 B16R2.11555 Cc1ccc(cc1)CC(C)N(C)C2CC2 270004a_100000226674_100000751045 [0,1,0,1,0,0|0,0,2]=4 4233 B16R2.253 CC(Cc1cccc(c1)Br)N2CCCC2 270004a_100000188435_100000689217 [0,1,0,1,0,0|0,0,2]=4 4234 B16R2.253 CC(Cc1cccc(c1)Br)N2CCSC2 270004a_100011215254_100000689217 [0,1,0,1,0,0|1,0,1]=4 4235 B16R2.253 CC(Cc1cccc(c1)Cl)N2CCCC2 270004a_100000188435_100000727212 [0,1,0,1,0,0|0,0,2]=4 4236 B16R2.253 CC(Cc1cccc(c1)Cl)N2CCSC2 270004a_100011215254_100000727212 [0,1,0,1,0,0|1,0,1]=4 4237 B16R2.253 CC(Cc1cccc(c1)F)N2CCCC2 270004a_100000188435_100000687711 [0,1,0,1,0,0|0,0,2]=4 4238 B16R2.253 CC(Cc1cccc(c1)F)N2CCSC2 270004a_100011215254_100000687711 [0,1,0,1,0,0|1,0,1]=4 4239 B16R2.764 C#CCC(=O)C1Cc2cccc(c2C1)Br 1458a_100010332549_100000184674 [0,1,0,1,0,0|2,0,0]=4 4240 B16R2.764 C#CCN(C)C1Cc2cccc(c2C1)Br 270004a_100000225692_100010205903 [0,1,0,1,0,0|0,0,0]=2 4241 B16R2.764 C#CCN(C)C1Cc2cccc(c2C1)C 270004a_100000225692_100010637320 [0,1,0,1,0,0|0,0,0]=2 4242 B16R2.764 C=CCN(C)C1Cc2cccc(c2C1)Br 270004a_100000225617_100010205903 [0,1,0,1,0,0|0,0,2]=4 4243 B16R2.764 C=CCN(C)C1Cc2cccc(c2C1)C 270004a_100000225617_100010637320 [0,1,0,1,0,0|0,0,2]=4 4244 B16R2.764 CCCN(C)C1Cc2cccc(c2C1)Br 270004a_100000747261_100010205903 [0,1,0,1,0,0|0,0,2]=4 4245 B16R2.764 CCCN(C)C1Cc2cccc(c2C1)C 270004a_100000747261_100010637320 [0,1,0,1,0,0|0,0,2]=4 4246 B16R2.764 CN(CCO)C1Cc2cccc(c2C1)Br 270004a_100000210263_100010205903 [0,1,0,1,0,0|1,0,1]=4 4247 B16R2.764 Cc1cccc2c1CC(C2)N(C)CCO 270004a_100000210263_100010637320 [0,1,0,1,0,0|1,0,1]=4 4248 B16R2.11890 CC(Cc1cccc(c1)Br)N(C)C2CC2 270004a_100000226674_100000689217 [0,1,0,1,0,0|0,0,2]=4 4249 B16R2.11890 CC(Cc1cccc(c1)Cl)N(C)C2CC2 270004a_100000226674_100000727212 [0,1,0,1,0,0|0,0,2]=4 4250 B16R2.11890 CC(Cc1cccc(c1)F)N(C)C2CC2 270004a_100000226674_100000687711 [0,1,0,1,0,0|0,0,2]=4 4251 B16R2.25765 CC(Cc1cccc(c1)Br)N2CC(C2)F 270004a_100000690557_100000689217 [0,1,0,1,0,0|1,0,1]=4 4252 B16R2.25765 CC(Cc1cccc(c1)Cl)N2CC(C2)F 270004a_100000690557_100000727212 [0,1,0,1,0,0|1,0,1]=4 4253 B16R2.25765 CC(Cc1cccc(c1)F)N2CC(C2)F 270004a_100000690557_100000687711 [0,1,0,1,0,0|1,0,1]=4 4254 B16R2.25765 CC1CN(C1)C(C)Cc2cccc(c2)Br 270004a_100000702820_100000689217 [0,1,0,1,0,0|0,0,2]=4 4255 B16R2.25765 CC1CN(C1)C(C)Cc2cccc(c2)Cl 270004a_100000702820_100000727212 [0,1,0,1,0,0|0,0,2]=4 4256 B16R2.25765 CC1CN(C1)C(C)Cc2cccc(c2)F 270004a_100000702820_100000687711 [0,1,0,1,0,0|0,0,2]=4 4257 B16R2.28948 C#CCC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_100000184674 [0,1,0,1,0,0|2,0,0]=4 4258 B16R2.2843 CC(Cc1ccccc1)N2CCC(C2)O 269982a_100011215560_200011218536 [0,1,0,1,0,0|0,0,2]=4 4259 B16R2.2843 CC(Cc1ccccc1)N2CC[C@@H](C2)F 269982a_100015203821_200011218536 [0,1,0,1,0,0|0,0,2]=4 4260 B16R2.2843 CC(Cc1ccccc1)N2CC[C@@H](C2)F 34a_100015203821_200011218536 [0,1,0,1,0,0|0,0,2]=4 4261 B16R2.2843 CC(Cc1ccccc1)N2CC[C@H](C2)C 269982a_100016987628_200011218536 [0,1,0,1,0,0|0,0,2]=4 4262 B16R2.2843 CC(Cc1ccccc1)N2CC[C@H](C2)C 34a_100016987628_200011218536 [0,1,0,1,0,0|0,0,2]=4 4263 B16R2.11592 C=C(C)CN(C)C1Cc2ccccc2C1 2230a_100016990990_100000748629 [0,1,0,1,0,0|0,0,2]=4 4264 B16R2.11592 C=C(C)CN(C)C1Cc2ccccc2C1 269982a_100000225649_100000753484 [0,1,0,1,0,0|0,0,2]=4 4265 B16R2.11592 C=C(C)CN(C)C1Cc2ccccc2C1 269982a_100016990990_100000748629 [0,1,0,1,0,0|0,0,2]=4 4266 B16R2.11592 C=C(C)CN(C)C1Cc2ccccc2C1 34a_100016990990_100000748629 [0,1,0,1,0,0|0,0,2]=4 4267 B16R2.11592 C=C(F)CN(C)C1Cc2ccccc2C1 2230a_100016990990_100009893438 [0,1,0,1,0,0|0,0,2]=4 4268 B16R2.11592 C=C(F)CN(C)C1Cc2ccccc2C1 269982a_100016990990_100009893438 [0,1,0,1,0,0|0,0,2]=4 4269 B16R2.11592 C=C(F)CN(C)C1Cc2ccccc2C1 34a_100016990990_100009893438 [0,1,0,1,0,0|0,0,2]=4 4270 B16R2.11592 CC(C)CN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210760 [0,1,0,1,0,0|0,0,2]=4 4271 B16R2.11592 CC(C)CN(C)C1Cc2ccccc2C1 269982a_100000747067_100000753484 [0,1,0,1,0,0|0,0,2]=4 4272 B16R2.11592 CC(C)CN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210624 [0,1,0,1,0,0|0,0,2]=4 4273 B16R2.11592 CC(C)CN(C)C1Cc2ccccc2C1 270004a_100016990990_100000210432 [0,1,0,1,0,0|0,0,2]=4 4274 B16R2.11592 CC(C)CN(C)C1Cc2ccccc2C1 34a_100016990990_100000210624 [0,1,0,1,0,0|0,0,2]=4 4275 B16R2.11592 CC(O)CN(C)C1Cc2ccccc2C1 2230a_100016990990_100011218427 [0,1,0,1,0,0|0,0,2]=4 4276 B16R2.11592 CC(O)CN(C)C1Cc2ccccc2C1 269982a_100000227577_100000753484 [0,1,0,1,0,0|0,0,2]=4 4277 B16R2.11592 CC(O)CN(C)C1Cc2ccccc2C1 269982a_100016990990_100011218427 [0,1,0,1,0,0|0,0,2]=4 4278 B16R2.11592 CC(O)CN(C)C1Cc2ccccc2C1 34a_100016990990_100011218427 [0,1,0,1,0,0|0,0,2]=4 4279 B16R2.11592 CN(CC(=O)N)C1Cc2ccccc2C1 2230a_100016990990_100000747473 [0,1,0,1,0,0|1,0,1]=4 4280 B16R2.11592 CN(CC(=O)N)C1Cc2ccccc2C1 269982a_100016990990_100000187820 [0,1,0,1,0,0|1,0,1]=4 4281 B16R2.11592 CN(CC(=O)N)C1Cc2ccccc2C1 34a_100016990990_100000187820 [0,1,0,1,0,0|1,0,1]=4 4282 B16R2.11592 CN(CC(=O)O)C1Cc2ccccc2C1 269956a_100000746989_100000753484 [0,1,0,1,0,0|1,0,1]=4 4283 B16R2.11592 CN(CC(=O)[O-])C1Cc2ccccc2C1 269982a_100016990990_100020667443 [0,1,0,1,0,0|1,0,1]=4 4284 B16R2.11592 CN(CC(=O)[O-])C1Cc2ccccc2C1 34a_100016990990_100020667443 [0,1,0,1,0,0|1,0,1]=4 4285 B16R2.11592 CN(CC(F)F)C1Cc2ccccc2C1 2230a_100016990990_100011934356 [0,1,0,1,0,0|1,0,1]=4 4286 B16R2.11592 CN(CC(F)F)C1Cc2ccccc2C1 269982a_100016990990_100011934356 [0,1,0,1,0,0|1,0,1]=4 4287 B16R2.11592 CN(CC(F)F)C1Cc2ccccc2C1 34a_100016990990_100011934356 [0,1,0,1,0,0|1,0,1]=4 4288 B16R2.11592 CN(C[N+](=O)[O-])C1Cc2ccccc2C1 269982a_100016990990_100000761209 [0,1,0,1,0,0|2,0,0]=4 4289 B16R2.11592 CN(C[N+](=O)[O-])C1Cc2ccccc2C1 34a_100016990990_100000761209 [0,1,0,1,0,0|2,0,0]=4 4290 B16R2.11592 C[C@@H](O)CN(C)C1Cc2ccccc2C1 2230a_100016990990_100009817552 [0,1,0,1,0,0|0,0,2]=4 4291 B16R2.11592 C[C@@H](O)CN(C)C1Cc2ccccc2C1 269982a_100016990990_100009817552 [0,1,0,1,0,0|0,0,2]=4 4292 B16R2.11592 C[C@@H](O)CN(C)C1Cc2ccccc2C1 34a_100016990990_100009817552 [0,1,0,1,0,0|0,0,2]=4 4293 B16R2.27733 CC(Cc1ccccc1)N2CC(C2)(C)C 269982a_100000753659_200011218536 [0,1,0,1,0,0|0,0,2]=4 4294 B16R2.27733 CC(Cc1ccccc1)N2CC(C2)(C)F 269982a_100000696199_200011218536 [0,1,0,1,0,0|0,0,2]=4 4295 B16R2.27733 CC(Cc1ccccc1)N2CC(C2)(C)O 269982a_100000718560_200011218536 [0,1,0,1,0,0|0,0,2]=4 4296 B16R2.27733 CC(Cc1ccccc1)N2CC(C2)(F)F 269982a_100000684464_200011218536 [0,1,0,1,0,0|1,0,1]=4 4297 B16R2.27766 CC(Cc1ccccc1)N(C)CC2CC2 269982a_100000741881_200011218536 [0,1,0,1,0,0|0,0,2]=4 4298 B16R2.88 CC(Cc1ccccc1)N2CC=CCC2 269982a_100000698166_200011218536 [0,1,0,1,0,0|0,0,2]=4 4299 B16R2.88 CC(Cc1ccccc1)N2CC=CCC2 34a_100000698166_200011218536 [0,1,0,1,0,0|0,0,2]=4 4300 B16R2.88 CC(Cc1ccccc1)N2CCCOC2 269982a_100000131196_200011218536 [0,1,0,1,0,0|0,0,2]=4 4301 B16R2.88 CC(Cc1ccccc1)N2CCCOC2 34a_100000131196_200011218536 [0,1,0,1,0,0|0,0,2]=4 4302 B16R2.88 CC(Cc1ccccc1)N2CCOCC2 269982a_100015191051_200011218536 [0,1,0,1,0,0|0,0,2]=4 4303 B16R2.88 CC(Cc1ccccc1)N2CCOCC2 34a_100015191051_200011218536 [0,1,0,1,0,0|0,0,2]=4 4304 B16R2.88 CC(Cc1ccccc1)N2CCSCC2 269982a_100000737611_200011218536 [0,1,0,1,0,0|0,0,2]=4 4305 B16R2.1895 CC(C[n+]1ccccc1)N2CC(C2)C#N 270004a_100015195279_100000034229 [0,1,0,1,0,0|1,0,1]=4 4306 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CF 269982a_100010363649_200011218536 [0,1,0,1,0,0|0,0,2]=4 4307 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CF 34a_100010363649_200011218536 [0,1,0,1,0,0|0,0,2]=4 4308 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CO 269982a_100016987283_200011218536 [0,1,0,1,0,0|0,0,2]=4 4309 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CO 34a_100016987283_200011218536 [0,1,0,1,0,0|0,0,2]=4 4310 B16R2.1895 CC(Cc1cccnc1)N2CC(C2)C#N 270004a_100015195279_100015187140 [0,1,0,1,0,0|1,0,1]=4 4311 B16R2.1895 CC(Cc1ccncc1)N2CC(C2)C#N 270004a_100015195279_100000238508 [0,1,0,1,0,0|1,0,1]=4 4312 B16R2.1895 CCC1CN(C1)C(C)Cc2ccccc2 269982a_100015205115_200011218536 [0,1,0,1,0,0|0,0,2]=4 4313 B16R2.1895 COC1CN(C1)C(C)Cc2ccccc2 269982a_100000755009_200011218536 [0,1,0,1,0,0|0,0,2]=4 4314 B16R2.1895 CSC1CN(C1)C(C)Cc2ccccc2 269982a_100016990038_200011218536 [0,1,0,1,0,0|0,0,2]=4 4315 B16R2.2114 C#CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000753159 [0,1,0,1,0,0|2,0,0]=4 4316 B16R2.2114 C#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000212058_100009815801 [0,1,0,1,0,0|2,0,0]=4 4317 B16R2.2114 C#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000212058_100009815801 [0,1,0,1,0,0|2,0,0]=4 4318 B16R2.2114 C#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000212058_100009815801 [0,1,0,1,0,0|2,0,0]=4 4319 B16R2.2114 CC#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000748600 [0,1,0,1,0,0|2,0,0]=4 4320 B16R2.2128 C#CCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000753159 [0,1,0,1,0,0|2,0,0]=4 4321 B16R2.2128 C#CCCC(=O)C1Cc2ccccc2C1 1458a_100000692101_100000753484 [0,1,0,1,0,0|2,0,0]=4 4322 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000688953 [0,1,0,1,0,0|0,0,0]=2 4323 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000730999 [0,1,0,1,0,0|0,0,0]=2 4324 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000688953 [0,1,0,1,0,0|0,0,0]=2 4325 B16R2.2128 C#CCNC(=O)C1Cc2ccccc2C1 11a_100000212058_100000685393 [0,1,0,1,0,0|2,0,0]=4 4326 B16R2.2128 C#CCNC(=O)C1Cc2ccccc2C1 1626a_100000212058_100000685393 [0,1,0,1,0,0|2,0,0]=4 4327 B16R2.2128 C#CCNC(=O)C1Cc2ccccc2C1 240690a_100000212058_100000685393 [0,1,0,1,0,0|2,0,0]=4 4328 B16R2.2128 C#CCNC(=O)C1Cc2ccccc2C1 527a_100000212058_100000685393 [0,1,0,1,0,0|2,0,0]=4 4329 B16R2.2128 C/C=C/CN(C)C1Cc2ccccc2C1 269982a_100016990990_100102629194 [0,1,0,1,0,0|0,0,2]=4 4330 B16R2.2128 C/C=C/CN(C)C1Cc2ccccc2C1 34a_100016990990_100102629194 [0,1,0,1,0,0|0,0,2]=4 4331 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000754431 [0,1,0,1,0,0|0,0,2]=4 4332 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000754431 [0,1,0,1,0,0|0,0,2]=4 4333 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 269982a_100020639649_100000753484 [0,1,0,1,0,0|0,0,2]=4 4334 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000754431 [0,1,0,1,0,0|0,0,2]=4 4335 B16R2.2128 CC#CCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000748600 [0,1,0,1,0,0|2,0,0]=4 4336 B16R2.2128 CC#CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000748600 [0,1,0,1,0,0|0,0,0]=2 4337 B16R2.2128 CC#CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000748600 [0,1,0,1,0,0|0,0,0]=2 4338 B16R2.2128 CC=CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000070051 [0,1,0,1,0,0|0,0,2]=4 4339 B16R2.2128 CC=CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000070051 [0,1,0,1,0,0|0,0,2]=4 4340 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210211 [0,1,0,1,0,0|0,0,2]=4 4341 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 269982a_100000207549_100000753484 [0,1,0,1,0,0|0,0,2]=4 4342 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210211 [0,1,0,1,0,0|0,0,2]=4 4343 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000210210 [0,1,0,1,0,0|0,0,2]=4 4344 B16R2.2128 CCOCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000739092 [0,1,0,1,0,0|0,0,2]=4 4345 B16R2.2128 CN(CCC#N)C1Cc2ccccc2C1 2230a_100016990990_100011215226 [0,1,0,1,0,0|0,0,1]=3 4346 B16R2.2128 CN(CCC#N)C1Cc2ccccc2C1 269982a_100016990990_100011215226 [0,1,0,1,0,0|0,0,1]=3 4347 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 2230a_100016990990_100011934791 [0,1,0,1,0,0|0,0,2]=4 4348 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 269982a_100016990990_100011934791 [0,1,0,1,0,0|0,0,2]=4 4349 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 34a_100016990990_100011934791 [0,1,0,1,0,0|0,0,2]=4 4350 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 2230a_100016990990_100000230001 [0,1,0,1,0,0|0,0,2]=4 4351 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 269982a_100000213112_100000753484 [0,1,0,1,0,0|0,0,2]=4 4352 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 269982a_100016990990_100011215043 [0,1,0,1,0,0|0,0,2]=4 4353 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 34a_100016990990_100000230001 [0,1,0,1,0,0|0,0,2]=4 4354 B16R2.2128 CN(CSC#N)C1Cc2ccccc2C1 269982a_100016990990_100000211825 [0,1,0,1,0,0|1,0,0]=3 4355 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100011201679 [0,1,0,1,0,0|0,0,2]=4 4356 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 269982a_100000743101_100000753484 [0,1,0,1,0,0|0,0,2]=4 4357 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000233755 [0,1,0,1,0,0|0,0,2]=4 4358 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 34a_100016990990_100011201679 [0,1,0,1,0,0|0,0,2]=4 4359 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000751147 [0,1,0,1,0,0|0,0,2]=4 4360 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 269982a_100000686725_100000753484 [0,1,0,1,0,0|0,0,2]=4 4361 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000212216 [0,1,0,1,0,0|0,0,2]=4 4362 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000212216 [0,1,0,1,0,0|0,0,2]=4 4363 B16R2.147215 CC(Cc1ccccc1)N(C)C2CCC2 269982a_100000758072_200011218536 [0,1,0,1,0,0|0,0,2]=4 4364 B16R2.147215 CC(Cc1ccccc1)N(C)C2CCC2 34a_100000758072_200011218536 [0,1,0,1,0,0|0,0,2]=4 4365 B16R2.147215 CC(Cc1ccccc1)N(C)C2COC2 269982a_100102693430_200011218536 [0,1,0,1,0,0|0,0,2]=4 4366 B16R2.757 C#CCN(C)C1Cc2ccccc2C1O 2230a_100000225692_100000211646 [0,1,0,1,0,0|0,0,0]=2 4367 B16R2.757 C#CCN(C)C1Cc2ccccc2C1O 34a_100000225692_100000211646 [0,1,0,1,0,0|0,0,0]=2 4368 B16R2.757 C#CCN(C)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100000038162 [0,1,0,1,0,0|0,0,0]=2 4369 B16R2.757 C#CCN(C)c1nc2ccccc2n1C 27a_100000225692_200000239431 [0,1,0,1,0,0|1,0,1]=4 4370 B16R2.757 C=CCN(C)C1Cc2ccccc2C1O 2230a_100000225617_100000211646 [0,1,0,1,0,0|0,0,2]=4 4371 B16R2.757 C=CCN(C)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100000210623 [0,1,0,1,0,0|0,0,2]=4 4372 B16R2.757 C=CCN(C)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100000210623 [0,1,0,1,0,0|0,0,2]=4 4373 B16R2.757 CCCN(C)C1Cc2ccccc2C1O 2230a_100000747261_100000211646 [0,1,0,1,0,0|0,0,2]=4 4374 B16R2.757 CCCN(C)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100000210303 [0,1,0,1,0,0|0,0,2]=4 4375 B16R2.757 CCCN(C)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100000210303 [0,1,0,1,0,0|0,0,2]=4 4376 B16R2.757 CN(CC#N)C1Cc2ccccc2C1O 2230a_100000748184_100000211646 [0,1,0,1,0,0|1,0,0]=3 4377 B16R2.757 CN(CC#N)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100011215382 [0,1,0,1,0,0|1,0,0]=3 4378 B16R2.757 CN(CC#N)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100011214920 [0,1,0,1,0,0|1,0,0]=3 4379 B16R2.757 CN(CC=O)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_200015260668 [0,1,0,1,0,0|1,0,1]=4 4380 B16R2.757 CN(CC=O)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_200015260668 [0,1,0,1,0,0|1,0,1]=4 4381 B16R2.757 CN(CCF)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100011217306 [0,1,0,1,0,0|1,0,1]=4 4382 B16R2.757 CN(CCF)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100011217306 [0,1,0,1,0,0|1,0,1]=4 4383 B16R2.757 CN(CCO)C1Cc2ccccc2C1O 2230a_100000210263_100000211646 [0,1,0,1,0,0|1,0,1]=4 4384 B16R2.757 CN(CCO)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100000211926 [0,1,0,1,0,0|1,0,1]=4 4385 B16R2.757 CN(CCO)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100000211926 [0,1,0,1,0,0|1,0,1]=4 4386 B16R2.757 COCN(C)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100000766300 [0,1,0,1,0,0|1,0,1]=4 4387 B16R2.757 COCN(C)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100000766300 [0,1,0,1,0,0|1,0,1]=4 4388 B16R2.757 CSCN(C)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100011218213 [0,1,0,1,0,0|1,0,1]=4 4389 B16R2.757 CSCN(C)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100011218213 [0,1,0,1,0,0|1,0,1]=4 4390 B16R2.3896 CN1CCCCC1C(O)c2ccccc2 2230a_100000748754_200000210301 [0,1,0,1,0,0|0,0,2]=4 4391 B16R2.3896 CN1CCCCC1C(O)c2ccccc2 269982a_100000748754_200000210301 [0,1,0,1,0,0|0,0,2]=4 4392 B16R2.3896 CN1CCCCC1C(O)c2ccccc2 34a_100000748754_200000210301 [0,1,0,1,0,0|0,0,2]=4 4393 B16R2.3896 [13CH3]N1CCCCC1C(O)c2ccccc2 2230a_100000748754_200025704644 [0,1,0,1,0,0|0,0,2]=4 4394 B16R2.3896 [13CH3]N1CCCCC1C(O)c2ccccc2 269982a_100000748754_200025704644 [0,1,0,1,0,0|0,0,2]=4 4395 B16R2.3896 [13CH3]N1CCCCC1C(O)c2ccccc2 34a_100000748754_200025704644 [0,1,0,1,0,0|0,0,2]=4 4396 B16R2.59 C#CCN1CCCC1Cc2ccccc2 2230a_100159249835_100000038162 [0,1,0,1,0,0|0,0,0]=2 4397 B16R2.59 C#CCN1CCCC1Cc2ccccc2 34a_100159249835_100000184674 [0,1,0,1,0,0|0,0,0]=2 4398 B16R2.59 C=CCN1CCCC1Cc2ccccc2 2230a_100159249835_100000210623 [0,1,0,1,0,0|0,0,2]=4 4399 B16R2.59 C=CCN1CCCC1Cc2ccccc2 269982a_100159249835_100000210623 [0,1,0,1,0,0|0,0,2]=4 4400 B16R2.59 C=CCN1CCCC1Cc2ccccc2 34a_100159249835_100015514636 [0,1,0,1,0,0|0,0,2]=4 4401 B16R2.59 CCCN1CCCC1Cc2ccccc2 2230a_100159249835_100000210303 [0,1,0,1,0,0|0,0,2]=4 4402 B16R2.59 CCCN1CCCC1Cc2ccccc2 269982a_100159249835_100000210303 [0,1,0,1,0,0|0,0,2]=4 4403 B16R2.59 CCCN1CCCC1Cc2ccccc2 34a_100159249835_100000210303 [0,1,0,1,0,0|0,0,2]=4 4404 B16R2.59 COCN1CCCC1Cc2ccccc2 2230a_100159249835_100000766300 [0,1,0,1,0,0|1,0,1]=4 4405 B16R2.59 COCN1CCCC1Cc2ccccc2 269982a_100159249835_100000766300 [0,1,0,1,0,0|1,0,1]=4 4406 B16R2.59 CSCN1CCCC1Cc2ccccc2 2230a_100159249835_100011218213 [0,1,0,1,0,0|1,0,1]=4 4407 B16R2.59 CSCN1CCCC1Cc2ccccc2 269982a_100159249835_100011218213 [0,1,0,1,0,0|1,0,1]=4 4408 B16R2.59 CSCN1CCCC1Cc2ccccc2 34a_100159249835_100011218213 [0,1,0,1,0,0|1,0,1]=4 4409 B16R2.59 FCCN1CCCC1Cc2ccccc2 2230a_100159249835_100011217306 [0,1,0,1,0,0|1,0,1]=4 4410 B16R2.59 FCCN1CCCC1Cc2ccccc2 269982a_100159249835_100011217306 [0,1,0,1,0,0|1,0,1]=4 4411 B16R2.59 FCCN1CCCC1Cc2ccccc2 34a_100159249835_100011217306 [0,1,0,1,0,0|1,0,1]=4 4412 B16R2.59 N#CCN1CCCC1Cc2ccccc2 2230a_100159249835_100011215382 [0,1,0,1,0,0|1,0,0]=3 4413 B16R2.59 N#CCN1CCCC1Cc2ccccc2 269982a_100159249835_100011214920 [0,1,0,1,0,0|1,0,0]=3 4414 B16R2.59 O=CCN1CCCC1Cc2ccccc2 2230a_100159249835_200015260668 [0,1,0,1,0,0|1,0,1]=4 4415 B16R2.59 O=CCN1CCCC1Cc2ccccc2 269982a_100159249835_200015260668 [0,1,0,1,0,0|1,0,1]=4 4416 B16R2.59 O=CCN1CCCC1Cc2ccccc2 34a_100159249835_200009817547 [0,1,0,1,0,0|1,0,1]=4 4417 B16R2.59 OCCN1CCCC1Cc2ccccc2 2230a_100159249835_100000211926 [0,1,0,1,0,0|1,0,1]=4 4418 B16R2.59 OCCN1CCCC1Cc2ccccc2 269982a_100159249835_100000211926 [0,1,0,1,0,0|1,0,1]=4 4419 B16R2.59 OCCN1CCCC1Cc2ccccc2 34a_100159249835_100000211926 [0,1,0,1,0,0|1,0,1]=4 4420 B16R2.64 C#CCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_100000038162 [0,1,0,1,0,0|0,0,0]=2 4421 B16R2.64 C#CCN1Cc2ccccc2C[C@H]1CO 34a_100011416757_100000184674 [0,1,0,1,0,0|0,0,0]=2 4422 B16R2.64 C=CCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_100000210623 [0,1,0,1,0,0|0,0,2]=4 4423 B16R2.64 C=CCN1Cc2ccccc2C[C@H]1CO 269982a_100011416757_100000210623 [0,1,0,1,0,0|0,0,2]=4 4424 B16R2.64 C=CCN1Cc2ccccc2C[C@H]1CO 34a_100011416757_100015514636 [0,1,0,1,0,0|0,0,2]=4 4425 B16R2.64 CCCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_100000210303 [0,1,0,1,0,0|0,0,2]=4 4426 B16R2.64 CCCN1Cc2ccccc2C[C@H]1CO 269982a_100011416757_100000210303 [0,1,0,1,0,0|0,0,2]=4 4427 B16R2.64 CCCN1Cc2ccccc2C[C@H]1CO 34a_100011416757_100000210303 [0,1,0,1,0,0|0,0,2]=4 4428 B16R2.64 COCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_100000766300 [0,1,0,1,0,0|1,0,1]=4 4429 B16R2.64 COCN1Cc2ccccc2C[C@H]1CO 269982a_100011416757_100000766300 [0,1,0,1,0,0|1,0,1]=4 4430 B16R2.64 CSCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_100011218213 [0,1,0,1,0,0|1,0,1]=4 4431 B16R2.64 CSCN1Cc2ccccc2C[C@H]1CO 269982a_100011416757_100011218213 [0,1,0,1,0,0|1,0,1]=4 4432 B16R2.64 CSCN1Cc2ccccc2C[C@H]1CO 34a_100011416757_100011218213 [0,1,0,1,0,0|1,0,1]=4 4433 B16R2.64 N#CCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_100011215382 [0,1,0,1,0,0|1,0,0]=3 4434 B16R2.64 N#CCN1Cc2ccccc2C[C@H]1CO 269982a_100011416757_100011214920 [0,1,0,1,0,0|1,0,0]=3 4435 B16R2.64 O=CCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_200015260668 [0,1,0,1,0,0|1,0,1]=4 4436 B16R2.64 O=CCN1Cc2ccccc2C[C@H]1CO 269982a_100011416757_200015260668 [0,1,0,1,0,0|1,0,1]=4 4437 B16R2.64 O=CCN1Cc2ccccc2C[C@H]1CO 34a_100011416757_200009817547 [0,1,0,1,0,0|1,0,1]=4 4438 B16R2.64 OCCN1Cc2ccccc2C[C@H]1CO 2230a_100011416757_100000211926 [0,1,0,1,0,0|1,0,1]=4 4439 B16R2.64 OCCN1Cc2ccccc2C[C@H]1CO 269982a_100011416757_100000211926 [0,1,0,1,0,0|1,0,1]=4 4440 B16R2.64 OCCN1Cc2ccccc2C[C@H]1CO 34a_100011416757_100000211926 [0,1,0,1,0,0|1,0,1]=4 4441 B16R2.64 OC[C@@H]1Cc2ccccc2CN1CCF 2230a_100011416757_100011217306 [0,1,0,1,0,0|1,0,1]=4 4442 B16R2.64 OC[C@@H]1Cc2ccccc2CN1CCF 269982a_100011416757_100011217306 [0,1,0,1,0,0|1,0,1]=4 4443 B16R2.64 OC[C@@H]1Cc2ccccc2CN1CCF 34a_100011416757_100011217306 [0,1,0,1,0,0|1,0,1]=4 4444 B16R2.101 CCC(Cc1ccccc1)N2CCCC2 270004a_100000188435_100000212045 [0,1,0,1,0,0|0,0,2]=4 4445 B16R2.101 CCC(Cc1ccccc1)N2CCSC2 270004a_100011215254_100000212045 [0,1,0,1,0,0|1,0,1]=4 4446 B16R2.678 CCC(Cc1ccccc1)N2CC(C2)C 270004a_100000702820_100000212045 [0,1,0,1,0,0|0,0,2]=4 4447 B16R2.678 CCC(Cc1ccccc1)N2CC(C2)F 270004a_100000690557_100000212045 [0,1,0,1,0,0|1,0,1]=4 4448 B16R2.29138 CCC(Cc1ccccc1)N(C)C2CC2 270004a_100000226674_100000212045 [0,1,0,1,0,0|0,0,2]=4 4449 B16R2.29138 CN(C1CC1)[C@H](CO)Cc2ccccc2 269982a_100016995599_100000211595 [0,1,0,1,0,0|0,0,2]=4 4450 B16R2.2175 C#CC(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000035995 [0,1,0,1,0,0|2,0,0]=4 4451 B16R2.2189 C#CC(C)C(=O)C1Cc2ccccc2C1 1458a_100000685393_200000035995 [0,1,0,1,0,0|2,0,0]=4 4452 B16R2.2189 C#CC(C)N(C)C1Cc2ccccc2C1 34a_100016990990_200000035995 [0,1,0,1,0,0|0,0,0]=2 4453 B16R2.2189 C=CC(C)N(C)C1Cc2ccccc2C1 269982a_100016990990_100011215867 [0,1,0,1,0,0|0,0,2]=4 4454 B16R2.2189 CC(C#N)N(C)C1Cc2ccccc2C1 2230a_100016990990_100000184139 [0,1,0,1,0,0|1,0,0]=3 4455 B16R2.2189 CC(C#N)N(C)C1Cc2ccccc2C1 269982a_100016990990_100000703298 [0,1,0,1,0,0|1,0,0]=3 4456 B16R2.2189 CC(CO)N(C)C1Cc2ccccc2C1 2230a_100016990990_100012180447 [0,1,0,1,0,0|1,0,1]=4 4457 B16R2.2189 CC(CO)N(C)C1Cc2ccccc2C1 269982a_100000693034_100000753484 [0,1,0,1,0,0|1,0,1]=4 4458 B16R2.2189 CC(CO)N(C)C1Cc2ccccc2C1 34a_100016990990_100012180447 [0,1,0,1,0,0|1,0,1]=4 4459 B16R2.2189 CCC(C)N(C)C1Cc2ccccc2C1 2230a_100016990990_100000758301 [0,1,0,1,0,0|0,0,2]=4 4460 B16R2.2189 CCC(C)N(C)C1Cc2ccccc2C1 269982a_100000741768_100000753484 [0,1,0,1,0,0|0,0,2]=4 4461 B16R2.2189 CCC(C)N(C)C1Cc2ccccc2C1 269982a_100016990990_100000758301 [0,1,0,1,0,0|0,0,2]=4 4462 B16R2.2189 CCC(C)N(C)C1Cc2ccccc2C1 34a_100016990990_100011215416 [0,1,0,1,0,0|0,0,2]=4 4463 B16R2.2189 COC(C)N(C)C1Cc2ccccc2C1 269982a_100016990990_100009879195 [0,1,0,1,0,0|1,0,1]=4 4464 B16R2.2189 C[C@H](CO)N(C)C1Cc2ccccc2C1 269982a_100016990990_100016084084 [0,1,0,1,0,0|1,0,1]=4 4465 B16R2.3341 CC(Cc1ccccc1)N2C[C@@H]([C@@H]2C)O 269982a_206633788156_200011218536 [0,1,0,1,0,0|1,0,1]=4 4466 B16R2.172 CCN1CCCCC1Cc2ccccc2 2230a_100000748602_100000210202 [0,1,0,1,0,0|0,0,2]=4 4467 B16R2.172 CCN1CCCCC1Cc2ccccc2 269982a_100000748602_100000204670 [0,1,0,1,0,0|0,0,2]=4 4468 B16R2.172 CCN1CCCCC1Cc2ccccc2 34a_100000748602_100000210202 [0,1,0,1,0,0|0,0,2]=4 4469 B16R2.172 CCN1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_100000210202 [0,1,0,1,0,0|1,0,1]=4 4470 B16R2.172 CCN1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_100000204670 [0,1,0,1,0,0|1,0,1]=4 4471 B16R2.172 CCN1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_100000210202 [0,1,0,1,0,0|1,0,1]=4 4472 B16R2.172 FCN1CCCCC1Cc2ccccc2 269982a_100000748602_100015361967 [0,1,0,1,0,0|0,0,2]=4 4473 B16R2.172 FCN1CCCCC1Cc2ccccc2 34a_100000748602_100015361967 [0,1,0,1,0,0|0,0,2]=4 4474 B16R2.172 FCN1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_100015361967 [0,1,0,1,0,0|1,0,1]=4 4475 B16R2.172 FCN1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_100015361967 [0,1,0,1,0,0|1,0,1]=4 4476 B16R2.3059 C#CCN(CC)C1Cc2ccccc2C1 269982a_100000744766_100000753484 [0,1,0,1,0,0|0,0,0]=2 4477 B16R2.3059 CCCN(CC)C1Cc2ccccc2C1 269982a_100000226822_100000753484 [0,1,0,1,0,0|0,0,2]=4 4478 B16R2.3059 CCN(CCO)C1Cc2ccccc2C1 269982a_100000210973_100000753484 [0,1,0,1,0,0|1,0,1]=4 4479 B16R2.6753 CCN(C(C)Cc1ccccc1)C2CC2 269982a_100000738653_200011218536 [0,1,0,1,0,0|0,0,2]=4 4480 B16R2.2957 CC(Cc1ccccc1Br)N2CCCC2 270004a_100000188435_100011350739 [0,1,0,1,0,0|0,0,2]=4 4481 B16R2.2957 CC(Cc1ccccc1Br)N2CCSC2 270004a_100011215254_100011350739 [0,1,0,1,0,0|1,0,1]=4 4482 B16R2.2957 CC(Cc1ccccc1Cl)N2CCCC2 270004a_100000188435_100000758791 [0,1,0,1,0,0|0,0,2]=4 4483 B16R2.2957 CC(Cc1ccccc1Cl)N2CCSC2 270004a_100011215254_100000758791 [0,1,0,1,0,0|1,0,1]=4 4484 B16R2.2957 CC(Cc1ccccc1F)N2CCCC2 270004a_100000188435_100000709178 [0,1,0,1,0,0|0,0,2]=4 4485 B16R2.2957 CC(Cc1ccccc1F)N2CCSC2 270004a_100011215254_100000709178 [0,1,0,1,0,0|1,0,1]=4 4486 B16R2.2957 Cc1ccccc1CC(C)N2CCCC2 270004a_100000188435_200000764500 [0,1,0,1,0,0|0,0,2]=4 4487 B16R2.2957 Cc1ccccc1CC(C)N2CCSC2 270004a_100011215254_200000764500 [0,1,0,1,0,0|1,0,1]=4 4488 B16R2.12426 CC(Cc1ccccc1Br)N2CC(C2)F 270004a_100000690557_100011350739 [0,1,0,1,0,0|1,0,1]=4 4489 B16R2.12426 CC(Cc1ccccc1Cl)N2CC(C2)F 270004a_100000690557_100000758791 [0,1,0,1,0,0|1,0,1]=4 4490 B16R2.12426 CC(Cc1ccccc1F)N2CC(C2)F 270004a_100000690557_100000709178 [0,1,0,1,0,0|1,0,1]=4 4491 B16R2.12426 CC1CN(C1)C(C)Cc2ccccc2Br 270004a_100000702820_100011350739 [0,1,0,1,0,0|0,0,2]=4 4492 B16R2.12426 CC1CN(C1)C(C)Cc2ccccc2Cl 270004a_100000702820_100000758791 [0,1,0,1,0,0|0,0,2]=4 4493 B16R2.12426 CC1CN(C1)C(C)Cc2ccccc2F 270004a_100000702820_100000709178 [0,1,0,1,0,0|0,0,2]=4 4494 B16R2.12426 Cc1ccccc1CC(C)N2CC(C2)C 270004a_100000702820_200000764500 [0,1,0,1,0,0|0,0,2]=4 4495 B16R2.12426 Cc1ccccc1CC(C)N2CC(C2)F 270004a_100000690557_200000764500 [0,1,0,1,0,0|1,0,1]=4 4496 B16R2.14672 CC(Cc1ccccc1Br)N(C)C2CC2 270004a_100000226674_100011350739 [0,1,0,1,0,0|0,0,2]=4 4497 B16R2.14672 CC(Cc1ccccc1Cl)N(C)C2CC2 270004a_100000226674_100000758791 [0,1,0,1,0,0|0,0,2]=4 4498 B16R2.14672 CC(Cc1ccccc1F)N(C)C2CC2 270004a_100000226674_100000709178 [0,1,0,1,0,0|0,0,2]=4 4499 B16R2.14672 Cc1ccccc1CC(C)N(C)C2CC2 270004a_100000226674_200000764500 [0,1,0,1,0,0|0,0,2]=4 4500 B16R2.29477 C#CCC(=O)C1CC1c2ccccc2Br 1458a_100000748278_100000184674 [0,1,0,1,0,0|2,0,0]=4 4501 B16R2.29477 C#CCC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_100000184674 [0,1,0,1,0,0|2,0,0]=4 4502 B16R3.5925 C1=CCN(C1)C2Cc3ccccc3C2 269982a_100015195280_100000753484 [0,0,0,2,0,0|0,0,2]=4 4503 B16R3.5925 c1ccc2c(c1)CC(C2)N3CCCC3 269982a_100000188435_100000753484 [0,0,0,2,0,0|0,0,2]=4 4504 B16R3.5925 c1ccc2c(c1)CC(C2)N3CCSC3 269982a_100011215254_100000753484 [0,0,0,2,0,0|1,0,1]=4 4505 B16R3.32875 CC1CN(C1)C2Cc3ccccc3C2 269982a_100000702820_100000753484 [0,0,0,2,0,0|0,0,2]=4 4506 B16R3.32875 CC1CN(C1)C2Cc3ccccc3C2 34a_100000702820_100000753484 [0,0,0,2,0,0|0,0,2]=4 4507 B16R3.32875 FC1CN(C1)C2Cc3ccccc3C2 269982a_100000690557_100000753484 [0,0,0,2,0,0|1,0,1]=4 4508 B16R3.32875 FC1CN(C1)C2Cc3ccccc3C2 34a_100000690557_100000753484 [0,0,0,2,0,0|1,0,1]=4 4509 B16R3.32875 OC1CN(C1)C2Cc3ccccc3C2 269982a_100000749847_100000753484 [0,0,0,2,0,0|1,0,1]=4 4510 B16R3.95890 CN(C1CC1)C2Cc3ccccc3C2 269982a_100000226674_100000753484 [0,0,0,2,0,0|0,0,2]=4 4511 B16R3.95890 CN(C1CC1)C2Cc3ccccc3C2 269982a_100016990990_100000211595 [0,0,0,2,0,0|0,0,2]=4 4512 B16R3.95890 CN(C1CC1)C2Cc3ccccc3C2 34a_100016990990_100000211595 [0,0,0,2,0,0|0,0,2]=4 4513 B12R1.51 C#CCN(C)CCc1c[nH]cn1 2230a_100000225692_100020628418 [1,0,0,0,1,0|2,0,0]=4 4514 B12R1.51 C#CCN(C)CCc1cccs1 2230a_100000225692_100000748579 [1,0,0,0,1,0|1,0,0]=3 4515 B12R1.51 C#CCN(C)CCc1cccs1 34a_100000225692_100000748579 [1,0,0,0,1,0|1,0,0]=3 4516 B12R1.51 C#CCN(C)CCc1cn[nH]c1 2230a_100000225692_100000743252 [1,0,0,0,1,0|2,0,0]=4 4517 B12R1.51 C#CCN(C)CCn1cccc1 2230a_100000225692_200009811947 [1,0,0,0,1,0|1,0,0]=3 4518 B12R1.51 C#CCN(C)CCn1cccn1 2230a_100000225692_100000685285 [1,0,0,0,1,0|2,0,0]=4 4519 B12R1.51 C#CCN(C)CCn1cccn1 34a_100000225692_100015204718 [1,0,0,0,1,0|2,0,0]=4 4520 B12R1.51 CN(CC#N)CCc1cccs1 2230a_100000748184_100000748579 [1,0,0,0,1,0|2,0,0]=4 4521 B12R1.51 CN(CC#N)CCn1cccc1 2230a_100000748184_200009811947 [1,0,0,0,1,0|2,0,0]=4 4522 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [1,0,0,0,1,0|2,0,0]=4 4523 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [1,0,0,0,1,0|2,0,0]=4 4524 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [1,0,0,0,1,0|2,0,0]=4 4525 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [1,0,0,0,1,0|1,0,1]=4 4526 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [1,0,0,0,1,0|1,0,1]=4 4527 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [1,0,0,0,1,0|1,0,1]=4 4528 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [1,0,0,0,1,0|1,0,1]=4 4529 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [1,0,0,0,1,0|0,0,0]=2 4530 B12R1.30 C#CCNC(C)c1ccccn1 2230a_100000181244_100000038162 [1,0,0,0,1,0|1,0,0]=3 4531 B12R1.30 C#CCNC(C)c1cccnc1 2230a_100000195435_100000038162 [1,0,0,0,1,0|1,0,0]=3 4532 B12R1.30 C#CCNC(C)c1ccncc1 2230a_100000181269_100000038162 [1,0,0,0,1,0|1,0,0]=3 4533 B12R1.30 C#CCNC(C)c1ncccn1 2230a_100020641698_100000038162 [1,0,0,0,1,0|2,0,0]=4 4534 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [1,0,0,0,1,0|0,0,0]=2 4535 B12R1.30 C#CCN[C@H](C)c1cnccn1 2230a_100020589798_100000038162 [1,0,0,0,1,0|2,0,0]=4 4536 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [1,0,0,0,1,0|1,0,0]=3 4537 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [1,0,0,0,1,0|1,0,0]=3 4538 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [1,0,0,0,1,0|1,0,0]=3 4539 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [1,0,0,0,1,0|1,0,0]=3 4540 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [1,0,0,0,1,0|0,0,2]=4 4541 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [1,0,0,0,1,0|0,0,2]=4 4542 B12R1.30 CC(NCC#N)c1ccccn1 2230a_100000181244_100011215382 [1,0,0,0,1,0|2,0,0]=4 4543 B12R1.30 CC(NCC#N)c1cccnc1 2230a_100000195435_100011215382 [1,0,0,0,1,0|2,0,0]=4 4544 B12R1.30 CC(NCC#N)c1ccncc1 2230a_100000181269_100011215382 [1,0,0,0,1,0|2,0,0]=4 4545 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,0,0,0,1,0|1,0,1]=4 4546 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,0,0,0,1,0|1,0,1]=4 4547 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,0,0,0,1,0|1,0,1]=4 4548 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,0,0,0,1,0|1,0,1]=4 4549 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,0,0,0,1,0|1,0,1]=4 4550 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [1,0,0,0,1,0|2,0,0]=4 4551 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [1,0,0,0,1,0|2,0,0]=4 4552 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,0,0,0,1,0|0,0,2]=4 4553 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,0,0,0,1,0|0,0,2]=4 4554 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,0,0,0,1,0|1,0,1]=4 4555 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,0,0,0,1,0|1,0,1]=4 4556 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [1,0,0,0,1,0|1,0,0]=3 4557 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,0,0,0,1,0|1,0,1]=4 4558 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,0,0,0,1,0|1,0,1]=4 4559 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,0,0,0,1,0|1,0,1]=4 4560 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [1,0,0,0,1,0|2,0,0]=4 4561 B12R1.53 C#CCNC(C)Cc1cccs1 2230a_100000751415_100000038162 [1,0,0,0,1,0|1,0,0]=3 4562 B12R1.53 C#CCNC(C)Cc1ccsc1 2230a_100000743546_100000038162 [1,0,0,0,1,0|1,0,0]=3 4563 B12R1.53 C#CCNC(C)Cc1ccsc1 34a_100000743546_100000184674 [1,0,0,0,1,0|1,0,0]=3 4564 B12R1.53 C#CCNC(C)Cn1cccn1 2230a_100000738251_100000038162 [1,0,0,0,1,0|2,0,0]=4 4565 B12R1.53 C#CCOC(C)Cc1ccco1 34a_100011803939_100000184674 [1,0,0,0,1,0|2,0,0]=4 4566 B12R1.53 C#CCOC(C)Cc1ccco1 7a_100011803939_100000038162 [1,0,0,0,1,0|2,0,0]=4 4567 B12R1.53 CC(Cc1cccs1)NCC#N 2230a_100000751415_100011215382 [1,0,0,0,1,0|2,0,0]=4 4568 B12R1.53 CC(Cc1ccsc1)NCC#N 2230a_100000743546_100011215382 [1,0,0,0,1,0|2,0,0]=4 4569 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [1,0,0,0,1,0|2,0,0]=4 4570 B12R1.34 C#CC(C)N(C)c1ccccc1 34a_100000210012_200000035995 [1,0,0,0,1,0|2,0,0]=4 4571 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [1,0,0,0,1,0|1,0,0]=3 4572 B12R1.34 CC(c1ccccn1)N(C)CF 269982a_100000231138_100015361967 [1,0,0,0,1,0|2,0,0]=4 4573 B12R1.34 CC(c1cccnc1)N(C)CF 269982a_100000232774_100015361967 [1,0,0,0,1,0|2,0,0]=4 4574 B12R1.34 CC(c1ccncc1)N(C)CF 269982a_100000231139_100015361967 [1,0,0,0,1,0|2,0,0]=4 4575 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [1,0,0,0,1,0|0,0,1]=3 4576 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [1,0,0,0,1,0|0,0,1]=3 4577 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [1,0,0,0,1,0|0,0,1]=3 4578 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [1,0,0,0,1,0|0,0,1]=3 4579 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [1,0,0,0,1,0|1,0,1]=4 4580 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [1,0,0,0,1,0|1,0,1]=4 4581 B12R1.34 CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210202 [1,0,0,0,1,0|1,0,1]=4 4582 B12R1.34 CCN(C)C(C)c1cccnc1 269982a_100000232774_100000204670 [1,0,0,0,1,0|1,0,1]=4 4583 B12R1.34 CCN(C)C(C)c1ccncc1 2230a_100000231139_100000210202 [1,0,0,0,1,0|1,0,1]=4 4584 B12R1.34 CCN(C)C(C)c1ccncc1 269982a_100000231139_100000204670 [1,0,0,0,1,0|1,0,1]=4 4585 B12R1.55 C#CCN(C)C(C)c1ccco1 2230a_100000232712_100000038162 [0,0,0,0,2,0|1,0,0]=3 4586 B12R1.55 C#CCN(C)C(C)c1cccs1 2230a_100000186410_100000038162 [0,0,0,0,2,0|1,0,0]=3 4587 B12R1.55 C#CCN(C)C(C)c1nccs1 2230a_103437849288_100000038162 [0,0,0,0,2,0|2,0,0]=4 4588 B12R1.55 CC(c1ccco1)N(C)CC#N 2230a_100000232712_100011215382 [0,0,0,0,2,0|2,0,0]=4 4589 B12R1.55 CC(c1ccco1)N(C)CC#N 269982a_100000232712_100011214920 [0,0,0,0,2,0|2,0,0]=4 4590 B12R1.55 CC(c1cccs1)N(C)CC#N 2230a_100000186410_100011215382 [0,0,0,0,2,0|2,0,0]=4 4591 B12R1.55 CC(c1cccs1)N(C)CC#N 269982a_100000186410_100011214920 [0,0,0,0,2,0|2,0,0]=4 4592 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011207963_100000184674 [1,0,0,0,0,1|2,0,0]=4 4593 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011220946_100000211621 [1,0,0,0,0,1|2,0,0]=4 4594 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100000182761_100000184674 [1,0,0,0,0,1|2,0,0]=4 4595 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100011220946_100000184471 [1,0,0,0,0,1|2,0,0]=4 4596 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100000182436_100000184674 [1,0,0,0,0,1|2,0,0]=4 4597 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100011220946_100000246102 [1,0,0,0,0,1|2,0,0]=4 4598 B14R1.520 C#CCC(=O)COCc1ccccc1 1458a_100000230186_100000184674 [1,0,0,0,0,1|2,0,0]=4 4599 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100000150264_100000184674 [1,0,0,0,0,1|2,0,0]=4 4600 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100011220946_200011217039 [1,0,0,0,0,1|2,0,0]=4 4601 B14R1.520 C#CCC(=O)NCCc1ccccc1 1626a_100000106460_100011220946 [1,0,0,0,0,1|2,0,0]=4 4602 B14R1.520 C#CCC(=O)NCCc1ccccc1 527a_100000106460_100011220946 [1,0,0,0,0,1|2,0,0]=4 4603 B14R1.520 C#CCC(C)OCCc1ccccc1 34a_100000685586_100000765856 [1,0,0,0,0,1|1,0,0]=3 4604 B14R1.520 C#CCC(C)OCCc1ccccc1 7a_100000685586_100000765856 [1,0,0,0,0,1|1,0,0]=3 4605 B14R1.520 C#CCC(C)OCCc1ccccn1 7a_100000685586_100015183660 [1,0,0,0,0,1|2,0,0]=4 4606 B14R1.520 C#CCC(C)OCCc1cccnc1 7a_100000685586_200011713674 [1,0,0,0,0,1|2,0,0]=4 4607 B14R1.520 C#CCC(C)OCCc1ccncc1 7a_100000685586_100000723409 [1,0,0,0,0,1|2,0,0]=4 4608 B14R1.520 C#CCN(C)C/C=C/c1ccccc1 2230a_100000225692_100016265936 [1,0,0,0,0,1|0,0,1]=3 4609 B14R1.520 C#CCN(C)C/C=C/c1ccccc1 34a_100000225692_100016265936 [1,0,0,0,0,1|0,0,1]=3 4610 B14R1.520 C#CCN(C)CC#Cc1ccccc1 2230a_100000225692_100011352542 [1,0,0,0,0,1|0,0,1]=3 4611 B14R1.520 C#CCN(C)CC#Cc1ccccc1 34a_100000225692_100011352542 [1,0,0,0,0,1|0,0,1]=3 4612 B14R1.520 C#CCN(C)CC=Cc1ccccc1 270004a_100000225692_100000210105 [1,0,0,0,0,1|0,0,1]=3 4613 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000225692_100000211621 [1,0,0,0,0,1|0,0,0]=2 4614 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000693637_100000038162 [1,0,0,0,0,1|0,0,0]=2 4615 B14R1.520 C#CCN(C)CCCc1ccccc1 34a_100000225692_100000211621 [1,0,0,0,0,1|0,0,0]=2 4616 B14R1.520 C#CCN(C)CCOc1ccccc1 2230a_100000184383_100000038162 [1,0,0,0,0,1|0,0,0]=2 4617 B14R1.520 C#CCN(C)CCOc1ccccc1 2230a_100000225692_100000184471 [1,0,0,0,0,1|0,0,0]=2 4618 B14R1.520 C#CCN(C)CCOc1ccccc1 270004a_100000225692_100000758736 [1,0,0,0,0,1|0,0,0]=2 4619 B14R1.520 C#CCN(C)CCOc1ccccc1 34a_100000225692_100000184471 [1,0,0,0,0,1|0,0,0]=2 4620 B14R1.520 C#CCN(C)CCSc1ccccc1 2230a_100000225692_100000246102 [1,0,0,0,0,1|0,0,0]=2 4621 B14R1.520 C#CCN(C)CCSc1ccccc1 34a_100000225692_100000246102 [1,0,0,0,0,1|0,0,0]=2 4622 B14R1.520 C#CCN(C)COCc1ccccc1 2230a_100000225692_100000763385 [1,0,0,0,0,1|0,0,0]=2 4623 B14R1.520 C#CCN(C)COCc1ccccc1 34a_100000225692_100000763385 [1,0,0,0,0,1|0,0,0]=2 4624 B14R1.520 C#CCN(C)CSCc1ccccc1 2230a_100000225692_200011217039 [1,0,0,0,0,1|0,0,0]=2 4625 B14R1.520 C#CCN(C)CSCc1ccccc1 34a_100000225692_200011217039 [1,0,0,0,0,1|0,0,0]=2 4626 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000225617_100000211621 [1,0,0,0,0,1|0,0,2]=4 4627 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000693637_100000210623 [1,0,0,0,0,1|0,0,2]=4 4628 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000225617_100000211621 [1,0,0,0,0,1|0,0,2]=4 4629 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000693637_100000210623 [1,0,0,0,0,1|0,0,2]=4 4630 B14R1.520 C=CCN(C)CCOc1ccccc1 2230a_100000184383_100000210623 [1,0,0,0,0,1|0,0,2]=4 4631 B14R1.520 C=CCN(C)CCOc1ccccc1 2230a_100000225617_100000184471 [1,0,0,0,0,1|0,0,2]=4 4632 B14R1.520 C=CCN(C)CCOc1ccccc1 269982a_100000184383_100000210623 [1,0,0,0,0,1|0,0,2]=4 4633 B14R1.520 C=CCN(C)CCOc1ccccc1 269982a_100000225617_100000184471 [1,0,0,0,0,1|0,0,2]=4 4634 B14R1.520 C=CCN(C)CCOc1ccccc1 270004a_100000225617_100000758736 [1,0,0,0,0,1|0,0,2]=4 4635 B14R1.520 C=CCN(C)CCSc1ccccc1 2230a_100000225617_100000246102 [1,0,0,0,0,1|0,0,2]=4 4636 B14R1.520 C=CCN(C)CCSc1ccccc1 2230a_100000232750_200000210301 [1,0,0,0,0,1|0,0,2]=4 4637 B14R1.520 C=CCN(C)CCSc1ccccc1 269982a_100000225617_100000246102 [1,0,0,0,0,1|0,0,2]=4 4638 B14R1.520 C=CCN(C)CCSc1ccccc1 269982a_100000232750_200000210301 [1,0,0,0,0,1|0,0,2]=4 4639 B14R1.520 C=CCN(C)COCc1ccccc1 2230a_100000225617_100000763385 [1,0,0,0,0,1|0,0,2]=4 4640 B14R1.520 C=CCN(C)CSCc1ccccc1 2230a_100000225617_200011217039 [1,0,0,0,0,1|0,0,2]=4 4641 B14R1.520 C=CCN(C)CSCc1ccccc1 269982a_100000225617_200011217039 [1,0,0,0,0,1|0,0,2]=4 4642 B14R1.520 C=CCN([13CH3])CCSc1ccccc1 2230a_100000232750_200025704644 [1,0,0,0,0,1|0,0,2]=4 4643 B14R1.520 C=CCN([13CH3])CCSc1ccccc1 269982a_100000232750_200025704644 [1,0,0,0,0,1|0,0,2]=4 4644 B14R1.520 CC(CC#N)NCCc1ccccc1 2230a_100000106460_100009813641 [1,0,0,0,0,1|2,0,0]=4 4645 B14R1.520 CC(CC#N)OCCc1ccccc1 7a_100000210268_100009813641 [1,0,0,0,0,1|2,0,0]=4 4646 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100000765856_100009813641 [1,0,0,0,0,1|2,0,0]=4 4647 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100009813641_100011218657 [1,0,0,0,0,1|2,0,0]=4 4648 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000693637_100000210303 [1,0,0,0,0,1|0,0,2]=4 4649 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000747261_100000211621 [1,0,0,0,0,1|0,0,2]=4 4650 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000693637_100000210303 [1,0,0,0,0,1|0,0,2]=4 4651 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000747261_100000211621 [1,0,0,0,0,1|0,0,2]=4 4652 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000184383_100000210303 [1,0,0,0,0,1|0,0,2]=4 4653 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000747261_100000184471 [1,0,0,0,0,1|0,0,2]=4 4654 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000184383_100000210303 [1,0,0,0,0,1|0,0,2]=4 4655 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000747261_100000184471 [1,0,0,0,0,1|0,0,2]=4 4656 B14R1.520 CCCN(C)CCOc1ccccc1 270004a_100000747261_100000758736 [1,0,0,0,0,1|0,0,2]=4 4657 B14R1.520 CCCN(C)CCSc1ccccc1 2230a_100000747261_100000246102 [1,0,0,0,0,1|0,0,2]=4 4658 B14R1.520 CCCN(C)CCSc1ccccc1 269982a_100000747261_100000246102 [1,0,0,0,0,1|0,0,2]=4 4659 B14R1.520 CCCN(C)COCc1ccccc1 2230a_100000747261_100000763385 [1,0,0,0,0,1|0,0,2]=4 4660 B14R1.520 CCCN(C)CSCc1ccccc1 2230a_100000747261_200011217039 [1,0,0,0,0,1|0,0,2]=4 4661 B14R1.520 CCCN(C)CSCc1ccccc1 269982a_100000747261_200011217039 [1,0,0,0,0,1|0,0,2]=4 4662 B14R1.520 CN(CC#N)C/C=C/c1ccccc1 2230a_100000748184_100016265936 [1,0,0,0,0,1|1,0,1]=4 4663 B14R1.520 CN(CC#N)CC#Cc1ccccc1 2230a_100000748184_100011352542 [1,0,0,0,0,1|1,0,1]=4 4664 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000693637_100011215382 [1,0,0,0,0,1|1,0,0]=3 4665 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000748184_100000211621 [1,0,0,0,0,1|1,0,0]=3 4666 B14R1.520 CN(CC#N)CCCc1ccccc1 269982a_100000693637_100011214920 [1,0,0,0,0,1|1,0,0]=3 4667 B14R1.520 CN(CC#N)CCOc1ccccc1 2230a_100000184383_100011215382 [1,0,0,0,0,1|1,0,0]=3 4668 B14R1.520 CN(CC#N)CCOc1ccccc1 2230a_100000748184_100000184471 [1,0,0,0,0,1|1,0,0]=3 4669 B14R1.520 CN(CC#N)CCOc1ccccc1 269982a_100000184383_100011214920 [1,0,0,0,0,1|1,0,0]=3 4670 B14R1.520 CN(CC#N)CCSc1ccccc1 2230a_100000748184_100000246102 [1,0,0,0,0,1|1,0,0]=3 4671 B14R1.520 CN(CC#N)COCc1ccccc1 2230a_100000748184_100000763385 [1,0,0,0,0,1|1,0,0]=3 4672 B14R1.520 CN(CC#N)CSCc1ccccc1 2230a_100000748184_200011217039 [1,0,0,0,0,1|1,0,0]=3 4673 B14R1.520 CN(CC=O)CCCc1ccccc1 2230a_100000693637_200015260668 [1,0,0,0,0,1|1,0,1]=4 4674 B14R1.520 CN(CC=O)CCCc1ccccc1 269982a_100000693637_200015260668 [1,0,0,0,0,1|1,0,1]=4 4675 B14R1.520 CN(CC=O)CCOc1ccccc1 2230a_100000184383_200015260668 [1,0,0,0,0,1|1,0,1]=4 4676 B14R1.520 CN(CC=O)CCOc1ccccc1 269982a_100000184383_200015260668 [1,0,0,0,0,1|1,0,1]=4 4677 B14R1.520 CN(CCF)CCCc1ccccc1 2230a_100000693637_100011217306 [1,0,0,0,0,1|1,0,1]=4 4678 B14R1.520 CN(CCF)CCCc1ccccc1 269982a_100000693637_100011217306 [1,0,0,0,0,1|1,0,1]=4 4679 B14R1.520 CN(CCF)CCOc1ccccc1 2230a_100000184383_100011217306 [1,0,0,0,0,1|1,0,1]=4 4680 B14R1.520 CN(CCF)CCOc1ccccc1 269982a_100000184383_100011217306 [1,0,0,0,0,1|1,0,1]=4 4681 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000210263_100000211621 [1,0,0,0,0,1|1,0,1]=4 4682 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000693637_100000211926 [1,0,0,0,0,1|1,0,1]=4 4683 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000210263_100000211621 [1,0,0,0,0,1|1,0,1]=4 4684 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000693637_100000211926 [1,0,0,0,0,1|1,0,1]=4 4685 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000184383_100000211926 [1,0,0,0,0,1|1,0,1]=4 4686 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000210263_100000184471 [1,0,0,0,0,1|1,0,1]=4 4687 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000184383_100000211926 [1,0,0,0,0,1|1,0,1]=4 4688 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000210263_100000184471 [1,0,0,0,0,1|1,0,1]=4 4689 B14R1.520 CN(CCO)CCOc1ccccc1 270004a_100000210263_100000758736 [1,0,0,0,0,1|1,0,1]=4 4690 B14R1.520 CN(CCO)CCSc1ccccc1 2230a_100000210263_100000246102 [1,0,0,0,0,1|1,0,1]=4 4691 B14R1.520 CN(CCO)CCSc1ccccc1 269982a_100000210263_100000246102 [1,0,0,0,0,1|1,0,1]=4 4692 B14R1.520 CN(CCO)COCc1ccccc1 2230a_100000210263_100000763385 [1,0,0,0,0,1|1,0,1]=4 4693 B14R1.520 CN(CCO)CSCc1ccccc1 2230a_100000210263_200011217039 [1,0,0,0,0,1|1,0,1]=4 4694 B14R1.520 CN(CCO)CSCc1ccccc1 269982a_100000210263_200011217039 [1,0,0,0,0,1|1,0,1]=4 4695 B14R1.520 COCN(C)CCCc1ccccc1 2230a_100000693637_100000766300 [1,0,0,0,0,1|1,0,1]=4 4696 B14R1.520 COCN(C)CCCc1ccccc1 269982a_100000693637_100000766300 [1,0,0,0,0,1|1,0,1]=4 4697 B14R1.520 COCN(C)CCOc1ccccc1 2230a_100000184383_100000766300 [1,0,0,0,0,1|1,0,1]=4 4698 B14R1.520 COCN(C)CCOc1ccccc1 269982a_100000184383_100000766300 [1,0,0,0,0,1|1,0,1]=4 4699 B14R1.520 CSCN(C)CCCc1ccccc1 2230a_100000693637_100011218213 [1,0,0,0,0,1|1,0,1]=4 4700 B14R1.520 CSCN(C)CCCc1ccccc1 269982a_100000693637_100011218213 [1,0,0,0,0,1|1,0,1]=4 4701 B14R1.520 CSCN(C)CCOc1ccccc1 2230a_100000184383_100011218213 [1,0,0,0,0,1|1,0,1]=4 4702 B14R1.520 CSCN(C)CCOc1ccccc1 269982a_100000184383_100011218213 [1,0,0,0,0,1|1,0,1]=4 4703 B14R1.520 C[C@@H](CC#N)NCCc1ccccc1 2230a_100016994482_100000765856 [1,0,0,0,0,1|2,0,0]=4 4704 B16R1.934 C#CCC(C)OC[C@@H](O)Cc1ccccc1 34a_100000685586_100000729385 [0,0,0,0,0,2|2,0,0]=4 4705 B16R1.934 C#CCC(C)OC[C@@H](O)Cc1ccccc1 7a_100000685586_100000729385 [0,0,0,0,0,2|2,0,0]=4 4706 B16R1.934 C#CCN(C)CCN(C)Cc1ccccc1 2230a_100000225692_100015196923 [0,0,0,0,0,2|1,0,0]=3 4707 B16R1.934 C#CCN(C)CCN(C)Cc1ccccc1 2230a_100011233411_100000038162 [0,0,0,0,0,2|1,0,0]=3 4708 B16R1.934 C#CCN(C)CCN(C)Cc1ccccc1 34a_100000225692_100015196923 [0,0,0,0,0,2|1,0,0]=3 4709 B16R1.934 CC(COC(C)CC#N)Cc1ccccc1 7a_100012125295_100009813641 [0,0,0,0,0,2|2,0,0]=4 4710 B16R1.934 CN(CC#N)CCN(C)Cc1ccccc1 2230a_100000748184_100015196923 [0,0,0,0,0,2|2,0,0]=4 4711 B16R1.934 CN(CC#N)CCN(C)Cc1ccccc1 2230a_100011233411_100011215382 [0,0,0,0,0,2|2,0,0]=4 4712 B16R1.934 CN(CC#N)CCN(C)Cc1ccccc1 269982a_100011233411_100011214920 [0,0,0,0,0,2|2,0,0]=4 4713 B16R1.1570 C#CCC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100011220946 [0,0,0,0,0,2|2,0,0]=4 4714 B16R1.1570 C#CCC(=O)NC(C)CCc1ccccc1 527a_100000210798_100011220946 [0,0,0,0,0,2|2,0,0]=4 4715 B16R1.1570 C#CCC(=O)NC(C)COc1ccccc1 1626a_100000746794_100011220946 [0,0,0,0,0,2|2,0,0]=4 4716 B16R1.1570 C#CCC(=O)NC(C)COc1ccccc1 527a_100000746794_100011220946 [0,0,0,0,0,2|2,0,0]=4 4717 B16R1.1570 C#CCN(C)CC(=O)CCc1ccccc1 2230a_100000225692_100012361361 [0,0,0,0,0,2|1,0,1]=4 4718 B16R1.1570 C#CCN(C)CC(=O)CCc1ccccc1 34a_100000225692_100012361361 [0,0,0,0,0,2|1,0,1]=4 4719 B16R1.1570 C#CCN(C)CC(=O)NCc1ccccc1 2230a_100000225692_100000183539 [0,0,0,0,0,2|1,0,1]=4 4720 B16R1.1570 C#CCN(C)CC(=O)NCc1ccccc1 2230a_100015205873_100000038162 [0,0,0,0,0,2|1,0,1]=4 4721 B16R1.1570 C#CCN(C)CC(=O)NCc1ccccc1 34a_100000225692_100000183539 [0,0,0,0,0,2|1,0,1]=4 4722 B16R1.1570 C#CCN(C)CC(=O)OCc1ccccc1 2230a_100000225692_100000753625 [0,0,0,0,0,2|1,0,1]=4 4723 B16R1.1570 C#CCN(C)CC(=O)OCc1ccccc1 2230a_100020626385_100000038162 [0,0,0,0,0,2|1,0,1]=4 4724 B16R1.1570 C#CCN(C)CC(=O)OCc1ccccc1 34a_100000225692_100000753625 [0,0,0,0,0,2|1,0,1]=4 4725 B16R1.1570 CC(CC#N)NC(C)CCc1ccccc1 2230a_100000210798_100009813641 [0,0,0,0,0,2|2,0,0]=4 4726 B16R1.1570 CC(CC#N)NC(C)COc1ccccc1 2230a_100000746794_100009813641 [0,0,0,0,0,2|2,0,0]=4 4727 B16R1.1570 CC(CC#N)OC(C)COc1ccccc1 7a_100000210911_100009813641 [0,0,0,0,0,2|2,0,0]=4 4728 B16R1.1570 CC(CC#N)O[C@@H](C)CCc1ccccc1 7a_100009815974_100009813641 [0,0,0,0,0,2|2,0,0]=4 4729 B16R1.14049 C#CCC(=O)C(C)CCCc1ccccc1 1458a_100011220946_200010759516 [0,0,0,0,0,2|2,0,0]=4 4730 B16R1.14049 C#CCN(C)C(=O)C/C=C/c1ccccc1 11a_100000225692_100011219626 [0,0,0,0,0,2|1,0,1]=4 4731 B16R1.14049 C#CCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000225692_100011219626 [0,0,0,0,0,2|1,0,1]=4 4732 B16R1.14049 C#CCN(C)C(=O)CCCc1ccccc1 11a_100000225692_100011207963 [0,0,0,0,0,2|1,0,1]=4 4733 B16R1.14049 C#CCN(C)C(=O)CCCc1ccccc1 1626a_100000225692_100011207963 [0,0,0,0,0,2|1,0,1]=4 4734 B16R1.14049 C#CCN(C)C(=O)CCCc1ccccc1 527a_100000225692_100011207963 [0,0,0,0,0,2|1,0,1]=4 4735 B16R1.14049 C#CCN(C)C(=O)CCOc1ccccc1 11a_100000225692_100000182761 [0,0,0,0,0,2|1,0,1]=4 4736 B16R1.14049 C#CCN(C)C(=O)CCOc1ccccc1 1626a_100000225692_100000182761 [0,0,0,0,0,2|1,0,1]=4 4737 B16R1.14049 C#CCN(C)C(=O)CCSc1ccccc1 11a_100000225692_100000182436 [0,0,0,0,0,2|1,0,1]=4 4738 B16R1.14049 C#CCN(C)C(=O)CCSc1ccccc1 1626a_100000225692_100000182436 [0,0,0,0,0,2|1,0,1]=4 4739 B16R1.14049 C#CCN(C)C(=O)COCc1ccccc1 11a_100000225692_100000230186 [0,0,0,0,0,2|1,0,1]=4 4740 B16R1.14049 C#CCN(C)C(=O)COCc1ccccc1 1626a_100000225692_100000230186 [0,0,0,0,0,2|1,0,1]=4 4741 B16R1.14049 C#CCN(C)C(=O)COCc1ccccc1 527a_100000225692_100000230186 [0,0,0,0,0,2|1,0,1]=4 4742 B16R1.14049 C#CCN(C)C(=O)CSCc1ccccc1 11a_100000225692_100000150264 [0,0,0,0,0,2|1,0,1]=4 4743 B16R1.14049 C#CCN(C)C(=O)CSCc1ccccc1 1626a_100000225692_100000150264 [0,0,0,0,0,2|1,0,1]=4 4744 B16R1.14049 C#CCN(C)C(=O)CSCc1ccccc1 527a_100000225692_100000150264 [0,0,0,0,0,2|1,0,1]=4 4745 B16R1.14049 C#CCN(C)C(=O)NCCc1ccccc1 2708a_100000106460_100000225692 [0,0,0,0,0,2|1,0,1]=4 4746 B16R1.14049 C#CCN(C)C(=O)NCCc1ccccc1 273464a_100000106460_100000225692 [0,0,0,0,0,2|1,0,1]=4 4747 B16R1.14049 C#CCN(C)C(C)CCCc1ccccc1 2230a_100000225692_200010759516 [0,0,0,0,0,2|0,0,0]=2 4748 B16R1.14049 C#CCN(C)C(C)CCCc1ccccc1 34a_100000225692_200010759516 [0,0,0,0,0,2|0,0,0]=2 4749 B16R1.14049 C#CCN(C)C(C)COCc1ccccc1 270004a_100000225692_100011215004 [0,0,0,0,0,2|0,0,0]=2 4750 B16R1.14049 C#CCN(C)C(C)CSCc1ccccc1 270004a_100000225692_100000172147 [0,0,0,0,0,2|0,0,0]=2 4751 B16R1.14049 C=CCN(C)C(C)CCCc1ccccc1 2230a_100000225617_200010759516 [0,0,0,0,0,2|0,0,2]=4 4752 B16R1.14049 C=CCN(C)C(C)CCCc1ccccc1 269982a_100000225617_200010759516 [0,0,0,0,0,2|0,0,2]=4 4753 B16R1.14049 C=CCN(C)C(C)COCc1ccccc1 270004a_100000225617_100011215004 [0,0,0,0,0,2|0,0,2]=4 4754 B16R1.14049 C=CCN(C)C(C)CSCc1ccccc1 270004a_100000225617_100000172147 [0,0,0,0,0,2|0,0,2]=4 4755 B16R1.14049 CC(CCCc1ccccc1)N(C)CC#N 2230a_100000748184_200010759516 [0,0,0,0,0,2|1,0,0]=3 4756 B16R1.14049 CC(CCCc1ccccc1)N(C)CCO 2230a_100000210263_200010759516 [0,0,0,0,0,2|1,0,1]=4 4757 B16R1.14049 CC(CCCc1ccccc1)N(C)CCO 269982a_100000210263_200010759516 [0,0,0,0,0,2|1,0,1]=4 4758 B16R1.14049 CC(COCc1ccccc1)N(C)CCO 270004a_100000210263_100011215004 [0,0,0,0,0,2|1,0,1]=4 4759 B16R1.14049 CC(CSCc1ccccc1)N(C)CCO 270004a_100000210263_100000172147 [0,0,0,0,0,2|1,0,1]=4 4760 B16R1.14049 CCCN(C)C(C)CCCc1ccccc1 2230a_100000747261_200010759516 [0,0,0,0,0,2|0,0,2]=4 4761 B16R1.14049 CCCN(C)C(C)CCCc1ccccc1 269982a_100000747261_200010759516 [0,0,0,0,0,2|0,0,2]=4 4762 B16R1.14049 CCCN(C)C(C)COCc1ccccc1 270004a_100000747261_100011215004 [0,0,0,0,0,2|0,0,2]=4 4763 B16R1.14049 CCCN(C)C(C)CSCc1ccccc1 270004a_100000747261_100000172147 [0,0,0,0,0,2|0,0,2]=4