0 B14R1.158 C#CCCCC(=O)Cc1ccccc1 1458a_100000690238_100015291786 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.158 C#CCCCN(C)Cc1ccccc1 2230a_100000186898_100000731252 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.158 C#CCCCN(C)Cc1ccccc1 269982a_100000186898_100011215417 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.158 C#CCCCN(C)Cc1ccccn1 2230a_100000207498_100000731252 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.158 C#CCCCN(C)Cc1ccccn1 269982a_100000207498_100011215417 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.158 C#CCCCN(C)Cc1cccnc1 2230a_100000184577_100000731252 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.158 C#CCCCN(C)Cc1cccnc1 269982a_100000184577_100011215417 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.158 C#CCCCN(C)Cc1ccncc1 2230a_100000187231_100000731252 [0,0,0,0,0,0|4,0,0]=4 8 B14R1.158 C#CCCCN(C)Cc1ccncc1 269982a_100000187231_100011215417 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.158 C#CCCNC(=O)C[n+]1ccccc1 11a_100000755551_200000086051 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.158 C#CCCNC(=O)C[n+]1ccccc1 240690a_100000755551_200000086051 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.158 C#CCCNC(=O)C[n+]1ccccc1 527a_100000755551_200000086051 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.158 C#CCCNC(=O)Cc1ccccn1 11a_100000755551_100000233486 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.158 C#CCCNC(=O)Cc1cccnc1 11a_100000755551_100000737805 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.158 C#CCCNC(=O)Cc1cccnc1 240690a_100000755551_100000737805 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.158 C#CCCNC(=O)Cc1cccnc1 527a_100000755551_100000737805 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.158 C#CCCNC(=O)Cc1ccncc1 11a_100000755551_100011201483 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.158 C#CCCNC(=O)Cc1ccncc1 240690a_100000755551_100011201483 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.158 C#CCCNC(=O)Nc1ccccc1 2430a_100000106764_100000755551 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.158 C#CCCNC(C)Cc1ccccc1 34a_100000755551_200011218536 [0,0,0,0,0,0|1,0,0]=1 20 B14R1.158 C#CCCNC(C)Cc1ccccn1 2230a_100000238496_100000688953 [0,0,0,0,0,0|2,0,0]=2 21 B14R1.158 C#CCCNC(C)Cc1cccnc1 2230a_100011207255_100000688953 [0,0,0,0,0,0|2,0,0]=2 22 B14R1.158 C#CCCNC(C)Cc1cnccn1 2230a_100011277835_100000688953 [0,0,0,0,0,0|3,0,0]=3 23 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100000748627_100000688953 [0,0,0,0,0,0|2,0,0]=2 24 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100011215631_200011218536 [0,0,0,0,0,0|2,0,0]=2 25 B14R1.158 C#CCCOC(C)Cc1ccccc1 7a_100000748627_100000688953 [0,0,0,0,0,0|2,0,0]=2 26 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_100000688953_200011218536 [0,0,0,0,0,0|2,0,0]=2 27 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_200011218536_100000688953 [0,0,0,0,0,0|2,0,0]=2 28 B14R1.158 C#CCNCC(C)Oc1ccccc1 2230a_100000755676_100000038162 [0,0,0,0,0,0|4,0,0]=4 29 B14R1.158 C#CCNCC(C)Oc1ccccc1 34a_100000755676_100000184674 [0,0,0,0,0,0|4,0,0]=4 30 B14R1.158 C#CCNCC(O)Cc1ccccc1 2230a_100000752270_100000038162 [0,0,0,0,0,0|4,0,0]=4 31 B14R1.158 C#CCNC[C@@H](O)Cc1ccccc1 34a_100000212058_100000729385 [0,0,0,0,0,0|4,0,0]=4 32 B14R1.158 C#CCOCC(C)Cc1ccccc1 34a_100012125295_100000184674 [0,0,0,0,0,0|3,0,0]=3 33 B14R1.158 C#CCOCC(C)Cc1ccccc1 7a_100012125295_100000038162 [0,0,0,0,0,0|3,0,0]=3 34 B14R1.158 C#CCOCC(C)Oc1ccccc1 34a_200000036796_100000184674 [0,0,0,0,0,0|4,0,0]=4 35 B14R1.158 C#CCOCC(C)Oc1ccccc1 7a_200000036796_100000038162 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.158 C#CCOCC(N)Cc1ccccc1 34a_100000739027_100000184674 [0,0,0,0,0,0|4,0,0]=4 37 B14R1.158 C#CCOC[C@@H](O)Cc1ccccc1 34a_100000210247_100000729385 [0,0,0,0,0,0|4,0,0]=4 38 B14R1.158 C#CCSC[C@@H](O)Cc1ccccc1 62a_100000038162_100000729385 [0,0,0,0,0,0|4,0,0]=4 39 B14R1.158 C/C(=C\c1ccccc1)/COCC#N 7a_200025717232_100011215382 [0,0,0,0,0,0|2,0,2]=4 40 B14R1.158 C/C=C/COC(C)Cc1ccccc1 34a_100000748627_100102629194 [0,0,0,0,0,0|2,0,2]=4 41 B14R1.158 C/C=C/COC(C)Cc1ccccc1 34a_100016270725_200011218536 [0,0,0,0,0,0|2,0,2]=4 42 B14R1.158 C/C=C/COC(C)Cc1ccccc1 7a_100000748627_100102629194 [0,0,0,0,0,0|2,0,2]=4 43 B14R1.158 C/C=C/CSC(C)Cc1ccccc1 62a_100102629194_200011218536 [0,0,0,0,0,0|2,0,2]=4 44 B14R1.158 C/C=C/CSC(C)Cc1ccccc1 62a_200011218536_100102629194 [0,0,0,0,0,0|2,0,2]=4 45 B14R1.158 C=CCCCN(C)Cc1ccccc1 2230a_100000186898_100011713584 [0,0,0,0,0,0|3,0,1]=4 46 B14R1.158 C=CCCCN(C)Cc1ccccc1 269982a_100000186898_100000757094 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.158 C=CCCNC(C)C[n+]1ccccc1 270004a_100015191253_100000034229 [0,0,0,0,0,0|2,0,1]=3 48 B14R1.158 C=CCCNC(C)Cc1ccccn1 2230a_100000238496_100000754431 [0,0,0,0,0,0|2,0,1]=3 49 B14R1.158 C=CCCNC(C)Cc1cccnc1 2230a_100011207255_100000754431 [0,0,0,0,0,0|2,0,1]=3 50 B14R1.158 C=CCCNC(C)Cc1cccnc1 270004a_100015191253_100015187140 [0,0,0,0,0,0|2,0,1]=3 51 B14R1.158 C=CCCNC(C)Cc1ccncc1 270004a_100015191253_100000238508 [0,0,0,0,0,0|2,0,1]=3 52 B14R1.158 C=CCCNC(C)Cc1cnccn1 2230a_100011277835_100000754431 [0,0,0,0,0,0|3,0,1]=4 53 B14R1.158 C=CCCNC(C)Cc1cnccn1 270004a_100015191253_100015184882 [0,0,0,0,0,0|3,0,1]=4 54 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100000748627_100000754431 [0,0,0,0,0,0|2,0,1]=3 55 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100011205117_200011218536 [0,0,0,0,0,0|2,0,1]=3 56 B14R1.158 C=CCCOC(C)Cc1ccccc1 7a_100000748627_100000754431 [0,0,0,0,0,0|2,0,1]=3 57 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_100000754431_200011218536 [0,0,0,0,0,0|2,0,1]=3 58 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_200011218536_100000754431 [0,0,0,0,0,0|2,0,1]=3 59 B14R1.158 C=CCOCC(C)Cc1ccccc1 34a_100012125295_100015514636 [0,0,0,0,0,0|3,0,1]=4 60 B14R1.158 C=CCOCC(C)Cc1ccccc1 7a_100012125295_100015514636 [0,0,0,0,0,0|3,0,1]=4 61 B14R1.158 CC#CCNC(C)Cc1ccccc1 34a_100000685387_200011218536 [0,0,0,0,0,0|1,0,1]=2 62 B14R1.158 CC#CCNC(C)Cc1ccccn1 2230a_100000238496_100000748600 [0,0,0,0,0,0|2,0,1]=3 63 B14R1.158 CC#CCNC(C)Cc1cccnc1 2230a_100011207255_100000748600 [0,0,0,0,0,0|2,0,1]=3 64 B14R1.158 CC#CCNC(C)Cc1cnccn1 2230a_100011277835_100000748600 [0,0,0,0,0,0|3,0,1]=4 65 B14R1.158 CC#CCOC(C)Cc1ccccc1 34a_100000748627_100000748600 [0,0,0,0,0,0|2,0,1]=3 66 B14R1.158 CC#CCOC(C)Cc1ccccc1 34a_100000761923_200011218536 [0,0,0,0,0,0|2,0,1]=3 67 B14R1.158 CC#CCOC(C)Cc1ccccc1 7a_100000748627_100000748600 [0,0,0,0,0,0|2,0,1]=3 68 B14R1.158 CC#CCSC(C)Cc1ccccc1 62a_100000748600_200011218536 [0,0,0,0,0,0|2,0,1]=3 69 B14R1.158 CC#CCSC(C)Cc1ccccc1 62a_200011218536_100000748600 [0,0,0,0,0,0|2,0,1]=3 70 B14R1.158 CC(CNCC#N)Oc1ccccc1 2230a_100000755676_100011215382 [0,0,0,0,0,0|3,0,0]=3 71 B14R1.158 CC(CNCC#N)Oc1cccnc1 2230a_200011219418_100011215382 [0,0,0,0,0,0|4,0,0]=4 72 B14R1.158 CC(COCC#N)Cc1ccccc1 7a_100012125295_100011215382 [0,0,0,0,0,0|2,0,0]=2 73 B14R1.158 CC(COCC#N)Oc1ccccc1 7a_200000036796_100011215382 [0,0,0,0,0,0|3,0,0]=3 74 B14R1.158 CC(COCC=O)Cc1ccccc1 34a_100012125295_200009817547 [0,0,0,0,0,0|3,0,1]=4 75 B14R1.158 CC(COCC=O)Cc1ccccc1 7a_100012125295_200015260668 [0,0,0,0,0,0|3,0,1]=4 76 B14R1.158 CC(COCCF)Cc1ccccc1 34a_100012125295_100011217306 [0,0,0,0,0,0|3,0,1]=4 77 B14R1.158 CC(COCCF)Cc1ccccc1 7a_100012125295_100011217306 [0,0,0,0,0,0|3,0,1]=4 78 B14R1.158 CC(COCCO)Cc1ccccc1 34a_100012125295_100000211926 [0,0,0,0,0,0|3,0,1]=4 79 B14R1.158 CC(COCCO)Cc1ccccc1 7a_100012125295_100000211926 [0,0,0,0,0,0|3,0,1]=4 80 B14R1.158 CC(C[n+]1ccccc1)NCCC#N 270004a_100000720768_100000034229 [0,0,0,0,0,0|1,0,0]=1 81 B14R1.158 CC(C[n+]1ccccc1)NCCCF 270004a_100015189416_100000034229 [0,0,0,0,0,0|2,0,1]=3 82 B14R1.158 CC(C[n+]1ccccc1)NCCCO 270004a_100000182051_100000034229 [0,0,0,0,0,0|2,0,1]=3 83 B14R1.158 CC(Cc1ccccc1)NCCCF 34a_100015189416_200011218536 [0,0,0,0,0,0|1,0,1]=2 84 B14R1.158 CC(Cc1ccccc1)OCCC#N 7a_100000748627_100000184422 [0,0,0,0,0,0|1,0,0]=1 85 B14R1.158 CC(Cc1ccccc1)OCCCBr 34a_100011217188_200011218536 [0,0,0,0,0,0|2,0,1]=3 86 B14R1.158 CC(Cc1ccccc1)OCCCCl 34a_100000230001_200011218536 [0,0,0,0,0,0|2,0,1]=3 87 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000748627_100011934791 [0,0,0,0,0,0|2,0,1]=3 88 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000759539_200011218536 [0,0,0,0,0,0|2,0,1]=3 89 B14R1.158 CC(Cc1ccccc1)OCCCF 7a_100000748627_100011934791 [0,0,0,0,0,0|2,0,1]=3 90 B14R1.158 CC(Cc1ccccc1)OCCCN 34a_100000182051_200011218536 [0,0,0,0,0,0|1,0,2]=3 91 B14R1.158 CC(Cc1ccccc1)OCCCO 34a_100000748627_100000230001 [0,0,0,0,0,0|2,0,1]=3 92 B14R1.158 CC(Cc1ccccc1)OCCCO 7a_100000748627_100011215043 [0,0,0,0,0,0|2,0,1]=3 93 B14R1.158 CC(Cc1ccccc1)OCCON 34a_100000700252_200011218536 [0,0,0,0,0,0|2,0,1]=3 94 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_100011215226_200011218536 [0,0,0,0,0,0|1,0,0]=1 95 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_200011218536_100011215226 [0,0,0,0,0,0|1,0,0]=1 96 B14R1.158 CC(Cc1ccccc1)SCCCF 62a_100011934791_200011218536 [0,0,0,0,0,0|2,0,1]=3 97 B14R1.158 CC(Cc1ccccc1)SCCCF 62a_200011218536_100011934791 [0,0,0,0,0,0|2,0,1]=3 98 B14R1.158 CC(Cc1ccccc1)SCCCO 62a_100011215043_200011218536 [0,0,0,0,0,0|2,0,1]=3 99 B14R1.158 CC(Cc1ccccc1)SCCCO 62a_200011218536_100011215043 [0,0,0,0,0,0|2,0,1]=3 100 B14R1.158 CC(Cc1ccccc1)SCSC#N 62a_100000211825_200011218536 [0,0,0,0,0,0|2,0,0]=2 101 B14R1.158 CC(Cc1ccccc1)SCSC#N 62a_200011218536_100000211825 [0,0,0,0,0,0|2,0,0]=2 102 B14R1.158 CC(Cc1ccccn1)NCCC#N 2230a_100000238496_100011215226 [0,0,0,0,0,0|1,0,0]=1 103 B14R1.158 CC(Cc1ccccn1)NCCCF 2230a_100000238496_100011934791 [0,0,0,0,0,0|2,0,1]=3 104 B14R1.158 CC(Cc1ccccn1)NCCCO 2230a_100000238496_100000230001 [0,0,0,0,0,0|2,0,1]=3 105 B14R1.158 CC(Cc1cccnc1)NCCC#N 2230a_100011207255_100011215226 [0,0,0,0,0,0|1,0,0]=1 106 B14R1.158 CC(Cc1cccnc1)NCCC#N 270004a_100000720768_100015187140 [0,0,0,0,0,0|1,0,0]=1 107 B14R1.158 CC(Cc1cccnc1)NCCCF 2230a_100011207255_100011934791 [0,0,0,0,0,0|2,0,1]=3 108 B14R1.158 CC(Cc1cccnc1)NCCCF 270004a_100015189416_100015187140 [0,0,0,0,0,0|2,0,1]=3 109 B14R1.158 CC(Cc1cccnc1)NCCCO 2230a_100011207255_100000230001 [0,0,0,0,0,0|2,0,1]=3 110 B14R1.158 CC(Cc1cccnc1)NCCCO 270004a_100000182051_100015187140 [0,0,0,0,0,0|2,0,1]=3 111 B14R1.158 CC(Cc1ccncc1)NCCC#N 270004a_100000720768_100000238508 [0,0,0,0,0,0|1,0,0]=1 112 B14R1.158 CC(Cc1ccncc1)NCCCF 270004a_100015189416_100000238508 [0,0,0,0,0,0|2,0,1]=3 113 B14R1.158 CC(Cc1ccncc1)NCCCO 270004a_100000182051_100000238508 [0,0,0,0,0,0|2,0,1]=3 114 B14R1.158 CC(Cc1cnccn1)NCCC#N 2230a_100011277835_100011215226 [0,0,0,0,0,0|2,0,0]=2 115 B14R1.158 CC(Cc1cnccn1)NCCC#N 270004a_100000720768_100015184882 [0,0,0,0,0,0|2,0,0]=2 116 B14R1.158 CC(Cc1cnccn1)NCCCF 2230a_100011277835_100011934791 [0,0,0,0,0,0|3,0,1]=4 117 B14R1.158 CC(Cc1cnccn1)NCCCF 270004a_100015189416_100015184882 [0,0,0,0,0,0|3,0,1]=4 118 B14R1.158 CC(Cc1cnccn1)NCCCO 2230a_100011277835_100000230001 [0,0,0,0,0,0|3,0,1]=4 119 B14R1.158 CC(Cc1cnccn1)NCCCO 270004a_100000182051_100015184882 [0,0,0,0,0,0|3,0,1]=4 120 B14R1.158 CC=CCNC(C)Cc1ccccn1 2230a_100000238496_100000070051 [0,0,0,0,0,0|2,0,2]=4 121 B14R1.158 CC=CCNC(C)Cc1cccnc1 2230a_100011207255_100000070051 [0,0,0,0,0,0|2,0,2]=4 122 B14R1.158 CC=CCOC(C)Cc1ccccc1 34a_100000748627_100000070051 [0,0,0,0,0,0|2,0,2]=4 123 B14R1.158 CC=CCOC(C)Cc1ccccc1 7a_100000748627_100000070051 [0,0,0,0,0,0|2,0,2]=4 124 B14R1.158 CC=CCSC(C)Cc1ccccc1 62a_100000070051_200011218536 [0,0,0,0,0,0|2,0,2]=4 125 B14R1.158 CC=CCSC(C)Cc1ccccc1 62a_200011218536_100000070051 [0,0,0,0,0,0|2,0,2]=4 126 B14R1.158 CCCCCC(C)Nc1ccccc1 34a_100000106764_200011218191 [0,0,0,0,0,0|3,0,1]=4 127 B14R1.158 CCCCCC(C)Oc1ccccc1 34a_100000210340_200011218191 [0,0,0,0,0,0|3,0,1]=4 128 B14R1.158 CCCCCC(C)Oc1ccccc1 7a_100000210340_200011218191 [0,0,0,0,0,0|3,0,1]=4 129 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_100000719477_200011218191 [0,0,0,0,0,0|3,0,1]=4 130 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_200011218191_100000041952 [0,0,0,0,0,0|3,0,1]=4 131 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210326 [0,0,0,0,0,0|3,0,1]=4 132 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000223495_100015291786 [0,0,0,0,0,0|3,0,1]=4 133 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210215 [0,0,0,0,0,0|3,0,1]=4 134 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000223495_100000211182 [0,0,0,0,0,0|3,0,1]=4 135 B14R1.158 CCCCCN(C)Cc1ccccc1 270004a_100000223495_100015611070 [0,0,0,0,0,0|3,0,1]=4 136 B14R1.158 CCCCNC(C)C[n+]1ccccc1 270004a_100000102301_100000034229 [0,0,0,0,0,0|2,0,1]=3 137 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [0,0,0,0,0,0|1,0,1]=2 138 B14R1.158 CCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210211 [0,0,0,0,0,0|2,0,1]=3 139 B14R1.158 CCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210211 [0,0,0,0,0,0|2,0,1]=3 140 B14R1.158 CCCCNC(C)Cc1cccnc1 270004a_100000102301_100015187140 [0,0,0,0,0,0|2,0,1]=3 141 B14R1.158 CCCCNC(C)Cc1ccncc1 270004a_100000102301_100000238508 [0,0,0,0,0,0|2,0,1]=3 142 B14R1.158 CCCCNC(C)Cc1cnccn1 2230a_100011277835_100000210211 [0,0,0,0,0,0|3,0,1]=4 143 B14R1.158 CCCCNC(C)Cc1cnccn1 270004a_100000102301_100015184882 [0,0,0,0,0,0|3,0,1]=4 144 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [0,0,0,0,0,0|2,0,1]=3 145 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [0,0,0,0,0,0|2,0,1]=3 146 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [0,0,0,0,0,0|2,0,1]=3 147 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [0,0,0,0,0,0|2,0,1]=3 148 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_100000210211_200011218536 [0,0,0,0,0,0|2,0,1]=3 149 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_200011218536_100000210210 [0,0,0,0,0,0|2,0,1]=3 150 B14R1.158 CCCOCC(C)Cc1ccccc1 34a_100012125295_100000210303 [0,0,0,0,0,0|3,0,1]=4 151 B14R1.158 CCCOCC(C)Cc1ccccc1 7a_100012125295_100000210303 [0,0,0,0,0,0|3,0,1]=4 152 B14R1.158 CCOCSC(C)Cc1ccccc1 62a_100000739092_200011218536 [0,0,0,0,0,0|3,0,1]=4 153 B14R1.158 CCOCSC(C)Cc1ccccc1 62a_200011218536_100000739092 [0,0,0,0,0,0|3,0,1]=4 154 B14R1.158 CN(CCCC#N)Cc1ccccc1 2230a_100000186898_100000687738 [0,0,0,0,0,0|2,0,0]=2 155 B14R1.158 CN(CCCC#N)Cc1ccccc1 269982a_100000186898_100000687738 [0,0,0,0,0,0|2,0,0]=2 156 B14R1.158 CN(CCCC#N)Cc1ccccn1 2230a_100000207498_100000687738 [0,0,0,0,0,0|3,0,0]=3 157 B14R1.158 CN(CCCC#N)Cc1ccccn1 269982a_100000207498_100000687738 [0,0,0,0,0,0|3,0,0]=3 158 B14R1.158 CN(CCCC#N)Cc1cccnc1 2230a_100000184577_100000687738 [0,0,0,0,0,0|3,0,0]=3 159 B14R1.158 CN(CCCC#N)Cc1cccnc1 269982a_100000184577_100000687738 [0,0,0,0,0,0|3,0,0]=3 160 B14R1.158 CN(CCCC#N)Cc1ccncc1 2230a_100000187231_100000687738 [0,0,0,0,0,0|3,0,0]=3 161 B14R1.158 CN(CCCC#N)Cc1ccncc1 269982a_100000187231_100000687738 [0,0,0,0,0,0|3,0,0]=3 162 B14R1.158 CN(CCCC#N)Cc1cnccn1 2230a_100011269079_100000687738 [0,0,0,0,0,0|4,0,0]=4 163 B14R1.158 CN(CCCC#N)Cc1cnccn1 269982a_100011269079_100000687738 [0,0,0,0,0,0|4,0,0]=4 164 B14R1.158 CN(CCCC#N)Cc1ncccn1 2230a_100025716638_100000687738 [0,0,0,0,0,0|4,0,0]=4 165 B14R1.158 CN(CCCC#N)Cc1ncccn1 269982a_100025716638_100000687738 [0,0,0,0,0,0|4,0,0]=4 166 B14R1.158 CN(CCCC=O)Cc1ccccc1 2230a_100000186898_200011292268 [0,0,0,0,0,0|3,0,1]=4 167 B14R1.158 CN(CCCC=O)Cc1ccccc1 269982a_100000186898_200011292268 [0,0,0,0,0,0|3,0,1]=4 168 B14R1.158 CN(CCCCF)Cc1ccccc1 2230a_100000186898_100000729493 [0,0,0,0,0,0|3,0,1]=4 169 B14R1.158 CN(CCCCF)Cc1ccccc1 269982a_100000186898_100000729493 [0,0,0,0,0,0|3,0,1]=4 170 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186360_200000210301 [0,0,0,0,0,0|3,0,1]=4 171 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186898_100000210776 [0,0,0,0,0,0|3,0,1]=4 172 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000717598_100015291786 [0,0,0,0,0,0|3,0,1]=4 173 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186360_200000210301 [0,0,0,0,0,0|3,0,1]=4 174 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186898_100000210776 [0,0,0,0,0,0|3,0,1]=4 175 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000717598_100000211182 [0,0,0,0,0,0|3,0,1]=4 176 B14R1.158 CN(CCCCO)Cc1ccccc1 270004a_100000717598_100015611070 [0,0,0,0,0,0|3,0,1]=4 177 B14R1.158 CN(CCSC#N)Cc1ccccc1 269982a_100000186898_100000034367 [0,0,0,0,0,0|3,0,0]=3 178 B14R1.158 CN(CCSC#N)Cc1ccccn1 269982a_100000207498_100000034367 [0,0,0,0,0,0|4,0,0]=4 179 B14R1.158 CN(CCSC#N)Cc1cccnc1 269982a_100000184577_100000034367 [0,0,0,0,0,0|4,0,0]=4 180 B14R1.158 CN(CCSC#N)Cc1ccncc1 269982a_100000187231_100000034367 [0,0,0,0,0,0|4,0,0]=4 181 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000186898_100000740836 [0,0,0,0,0,0|4,0,0]=4 182 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000224831_100015291786 [0,0,0,0,0,0|4,0,0]=4 183 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000707625_200000210301 [0,0,0,0,0,0|4,0,0]=4 184 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000186898_100000740836 [0,0,0,0,0,0|4,0,0]=4 185 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000224831_100000211182 [0,0,0,0,0,0|4,0,0]=4 186 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000707625_200000210301 [0,0,0,0,0,0|4,0,0]=4 187 B14R1.158 COCCCN(C)Cc1ccccc1 270004a_100000224831_100015611070 [0,0,0,0,0,0|4,0,0]=4 188 B14R1.158 COCCCN([13CH3])Cc1ccccc1 2230a_100000707625_200025704644 [0,0,0,0,0,0|4,0,0]=4 189 B14R1.158 COCCCN([13CH3])Cc1ccccc1 269982a_100000707625_200025704644 [0,0,0,0,0,0|4,0,0]=4 190 B14R1.158 COCCNC(C)C[n+]1ccccc1 270004a_100000209980_100000034229 [0,0,0,0,0,0|3,0,0]=3 191 B14R1.158 COCCNC(C)Cc1ccccn1 2230a_100000238496_100011201679 [0,0,0,0,0,0|3,0,0]=3 192 B14R1.158 COCCNC(C)Cc1cccnc1 2230a_100011207255_100011201679 [0,0,0,0,0,0|3,0,0]=3 193 B14R1.158 COCCNC(C)Cc1cccnc1 270004a_100000209980_100015187140 [0,0,0,0,0,0|3,0,0]=3 194 B14R1.158 COCCNC(C)Cc1ccncc1 270004a_100000209980_100000238508 [0,0,0,0,0,0|3,0,0]=3 195 B14R1.158 COCCNC(C)Cc1cnccn1 2230a_100011277835_100011201679 [0,0,0,0,0,0|4,0,0]=4 196 B14R1.158 COCCNC(C)Cc1cnccn1 270004a_100000209980_100015184882 [0,0,0,0,0,0|4,0,0]=4 197 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000210237_200011218536 [0,0,0,0,0,0|3,0,0]=3 198 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000748627_100011201679 [0,0,0,0,0,0|3,0,0]=3 199 B14R1.158 COCCOC(C)Cc1ccccc1 7a_100000748627_100000233755 [0,0,0,0,0,0|3,0,0]=3 200 B14R1.158 COCCSC(C)Cc1ccccc1 62a_100000233755_200011218536 [0,0,0,0,0,0|3,0,0]=3 201 B14R1.158 COCCSC(C)Cc1ccccc1 62a_200011218536_100000233755 [0,0,0,0,0,0|3,0,0]=3 202 B14R1.158 CSCCNC(C)C[n+]1ccccc1 270004a_100020590264_100000034229 [0,0,0,0,0,0|3,0,0]=3 203 B14R1.158 CSCCNC(C)Cc1ccccn1 2230a_100000238496_100000751147 [0,0,0,0,0,0|3,0,0]=3 204 B14R1.158 CSCCNC(C)Cc1cccnc1 2230a_100011207255_100000751147 [0,0,0,0,0,0|3,0,0]=3 205 B14R1.158 CSCCNC(C)Cc1cccnc1 270004a_100020590264_100015187140 [0,0,0,0,0,0|3,0,0]=3 206 B14R1.158 CSCCNC(C)Cc1ccncc1 270004a_100020590264_100000238508 [0,0,0,0,0,0|3,0,0]=3 207 B14R1.158 CSCCNC(C)Cc1cnccn1 2230a_100011277835_100000751147 [0,0,0,0,0,0|4,0,0]=4 208 B14R1.158 CSCCNC(C)Cc1cnccn1 270004a_100020590264_100015184882 [0,0,0,0,0,0|4,0,0]=4 209 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000230434_200011218536 [0,0,0,0,0,0|3,0,0]=3 210 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000748627_100000212216 [0,0,0,0,0,0|3,0,0]=3 211 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000230434_200011218536 [0,0,0,0,0,0|3,0,0]=3 212 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000748627_100000212216 [0,0,0,0,0,0|3,0,0]=3 213 B14R1.158 CSCCSC(C)Cc1ccccc1 62a_100000212216_200011218536 [0,0,0,0,0,0|3,0,0]=3 214 B14R1.158 CSCCSC(C)Cc1ccccc1 62a_200011218536_100000751147 [0,0,0,0,0,0|3,0,0]=3 215 B14R1.158 CSCOCC(C)Cc1ccccc1 34a_100012125295_100011218213 [0,0,0,0,0,0|4,0,0]=4 216 B14R1.158 N#CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000211468 [0,0,0,0,0,0|3,0,1]=4 217 B14R1.158 N#CCCCC(=O)Cc1ccccc1 1458a_100000075515_100015291786 [0,0,0,0,0,0|2,0,1]=3 218 B14R1.158 N#CCCCC(=O)Cc1ccccn1 1458a_100000075515_100000721315 [0,0,0,0,0,0|3,0,1]=4 219 B14R1.158 N#CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000211468 [0,0,0,0,0,0|3,0,1]=4 220 B14R1.158 N#CCCCC(=O)Cc1cccnc1 1458a_100000075515_100000733263 [0,0,0,0,0,0|3,0,1]=4 221 B14R1.158 N#CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000211468 [0,0,0,0,0,0|3,0,1]=4 222 B14R1.158 N#CCCCC(=O)Cc1ccncc1 1458a_100000075515_100000705612 [0,0,0,0,0,0|3,0,1]=4 223 B14R1.158 N#CCCCC(=O)Nc1ccccc1 11a_100000106764_100000075515 [0,0,0,0,0,0|3,0,1]=4 224 B14R1.158 N#CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000075515 [0,0,0,0,0,0|3,0,1]=4 225 B14R1.158 N#CCCCC(=O)Nc1ccccc1 22a_100000106764_100000075515 [0,0,0,0,0,0|3,0,1]=4 226 B14R1.158 N#CCCCC(=O)Nc1ccccc1 527a_100000106764_100000075515 [0,0,0,0,0,0|3,0,1]=4 227 B14R1.158 N#CCCNC(=O)C[n+]1ccccc1 11a_100000720768_200000086051 [0,0,0,0,0,0|2,0,1]=3 228 B14R1.158 N#CCCNC(=O)C[n+]1ccccc1 240690a_100000720768_200000086051 [0,0,0,0,0,0|2,0,1]=3 229 B14R1.158 N#CCCNC(=O)C[n+]1ccccc1 527a_100000720768_200000086051 [0,0,0,0,0,0|2,0,1]=3 230 B14R1.158 N#CCCNC(=O)Cc1ccccn1 11a_100000720768_100000233486 [0,0,0,0,0,0|2,0,1]=3 231 B14R1.158 N#CCCNC(=O)Cc1cccnc1 11a_100000720768_100000737805 [0,0,0,0,0,0|2,0,1]=3 232 B14R1.158 N#CCCNC(=O)Cc1cccnc1 240690a_100000720768_100000737805 [0,0,0,0,0,0|2,0,1]=3 233 B14R1.158 N#CCCNC(=O)Cc1cccnc1 527a_100000720768_100000737805 [0,0,0,0,0,0|2,0,1]=3 234 B14R1.158 N#CCCNC(=O)Cc1ccncc1 11a_100000720768_100011201483 [0,0,0,0,0,0|2,0,1]=3 235 B14R1.158 N#CCCNC(=O)Cc1ccncc1 240690a_100000720768_100011201483 [0,0,0,0,0,0|2,0,1]=3 236 B14R1.158 N#CCCNC(=O)Cc1cnccn1 11a_100000720768_100000726051 [0,0,0,0,0,0|3,0,1]=4 237 B14R1.158 N#CCCNC(=O)Cc1cnccn1 240690a_100000720768_100000726051 [0,0,0,0,0,0|3,0,1]=4 238 B14R1.158 N#CCCNC(=O)Cc1cnccn1 527a_100000720768_100000726051 [0,0,0,0,0,0|3,0,1]=4 239 B14R1.158 N#CCCNC(=O)Cc1cncnc1 11a_100000720768_100000721575 [0,0,0,0,0,0|3,0,1]=4 240 B14R1.158 N#CCCNC(=O)Cc1cncnc1 240690a_100000720768_100000721575 [0,0,0,0,0,0|3,0,1]=4 241 B14R1.158 N#CCCNC(=O)Cc1cncnc1 527a_100000720768_100000721575 [0,0,0,0,0,0|3,0,1]=4 242 B14R1.158 N#CCCNC(=O)Nc1ccccc1 2430a_100000106764_100000720768 [0,0,0,0,0,0|2,0,1]=3 243 B14R1.158 N#CCNCC(O)Cc1ccccc1 2230a_100000752270_100011215382 [0,0,0,0,0,0|3,0,0]=3 244 B14R1.158 N#CCSCC(=O)Cc1ccccc1 1458a_100000150266_100015291786 [0,0,0,0,0,0|3,0,1]=4 245 B14R1.158 N#CCSCC(=O)Cc1ccccc1 62a_100000233483_100011215382 [0,0,0,0,0,0|3,0,1]=4 246 B14R1.158 N#CCSCC(=O)Cc1ccccc1 62a_100011215382_100000233483 [0,0,0,0,0,0|3,0,1]=4 247 B14R1.158 N#CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100011215382 [0,0,0,0,0,0|3,0,0]=3 248 B14R1.158 N#CCSC[C@@H](O)Cc1ccccc1 62a_100011215382_100000729385 [0,0,0,0,0,0|3,0,0]=3 249 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 2230a_100000186360_200025704644 [0,0,0,0,0,0|3,0,1]=4 250 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 269982a_100000186360_200025704644 [0,0,0,0,0,0|3,0,1]=4 251 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [1,0,0,0,0,0|2,0,1]=4 252 B13R1.28 C#CCCCCNc1ccccc1 34a_100000106764_100010269958 [1,0,0,0,0,0|3,0,0]=4 253 B13R1.28 C#CCCCCOc1ccccc1 34a_100000210340_100010269958 [1,0,0,0,0,0|3,0,0]=4 254 B13R1.28 C#CCCCCOc1ccccc1 7a_100000210340_100010269958 [1,0,0,0,0,0|3,0,0]=4 255 B13R1.28 C#CCCCCSc1ccccc1 62a_100000719477_100010269958 [1,0,0,0,0,0|3,0,0]=4 256 B13R1.28 C#CCCCCSc1ccccc1 62a_100010269958_100000041952 [1,0,0,0,0,0|3,0,0]=4 257 B13R1.28 C#CCCCNCc1ccccc1 207a_100000718082_100015611070 [1,0,0,0,0,0|3,0,0]=4 258 B13R1.28 C#CCCCNCc1ccccc1 2230a_100015324214_100000731252 [1,0,0,0,0,0|3,0,0]=4 259 B13R1.28 C#CCCCNCc1ccccc1 270004a_100000718082_100015611070 [1,0,0,0,0,0|3,0,0]=4 260 B13R1.28 C#CCCCNCc1ccccc1 34a_100000718082_100015291786 [1,0,0,0,0,0|3,0,0]=4 261 B13R1.28 C#CCCCNCc1ccccc1 34a_100015324214_100000695029 [1,0,0,0,0,0|3,0,0]=4 262 B13R1.28 C#CCCCOCc1ccccc1 34a_100000210790_100000695029 [1,0,0,0,0,0|3,0,0]=4 263 B13R1.28 C#CCCCOCc1ccccc1 34a_100000215630_100015291786 [1,0,0,0,0,0|3,0,0]=4 264 B13R1.28 C#CCCCOCc1ccccc1 7a_100000210790_100011215417 [1,0,0,0,0,0|3,0,0]=4 265 B13R1.28 C#CCCCOCc1ccccc1 7a_100000215630_100000211182 [1,0,0,0,0,0|3,0,0]=4 266 B13R1.28 C#CCCCSCc1ccccc1 62a_100000211182_100011215417 [1,0,0,0,0,0|3,0,0]=4 267 B13R1.28 C#CCCCSCc1ccccc1 62a_100011215417_100015291786 [1,0,0,0,0,0|3,0,0]=4 268 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [1,0,0,0,0,0|1,0,0]=2 269 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [1,0,0,0,0,0|1,0,0]=2 270 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [1,0,0,0,0,0|1,0,0]=2 271 B13R1.28 C#CCCNCCc1cccnc1 2230a_100000736294_100000688953 [1,0,0,0,0,0|2,0,0]=3 272 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [1,0,0,0,0,0|2,0,0]=3 273 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [1,0,0,0,0,0|2,0,0]=3 274 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [1,0,0,0,0,0|2,0,0]=3 275 B13R1.28 C#CCCOCCc1ccccn1 34a_100000210271_100000688953 [1,0,0,0,0,0|3,0,0]=4 276 B13R1.28 C#CCCOCCc1cccnc1 34a_100011217484_100000688953 [1,0,0,0,0,0|3,0,0]=4 277 B13R1.28 C#CCCOCCc1ccncc1 34a_100011216225_100000688953 [1,0,0,0,0,0|3,0,0]=4 278 B13R1.28 C#CCCSCCc1ccccc1 62a_100000688953_100011218657 [1,0,0,0,0,0|2,0,0]=3 279 B13R1.28 C#CCCSCCc1ccccc1 62a_100000765856_100000688953 [1,0,0,0,0,0|2,0,0]=3 280 B13R1.28 C#CCCSCCc1ccccn1 62a_100000688953_100015183660 [1,0,0,0,0,0|3,0,0]=4 281 B13R1.28 C#CCCSCCc1ccccn1 62a_100015183660_100000688953 [1,0,0,0,0,0|3,0,0]=4 282 B13R1.28 C#CCCSCCc1cccnc1 62a_100000688953_200011713674 [1,0,0,0,0,0|3,0,0]=4 283 B13R1.28 C#CCCSCCc1cccnc1 62a_200011713674_100000688953 [1,0,0,0,0,0|3,0,0]=4 284 B13R1.28 C#CCCSCCc1ccncc1 62a_100000688953_100000723409 [1,0,0,0,0,0|3,0,0]=4 285 B13R1.28 C#CCCSCCc1ccncc1 62a_100000723409_100000688953 [1,0,0,0,0,0|3,0,0]=4 286 B13R1.28 C#CCCSCSc1ccccc1 62a_100000688953_100011218342 [1,0,0,0,0,0|3,0,0]=4 287 B13R1.28 C#CCCSCSc1ccccc1 62a_100011218342_100000688953 [1,0,0,0,0,0|3,0,0]=4 288 B13R1.28 C#CCNCCCc1ccccc1 2230a_100000211184_100000038162 [1,0,0,0,0,0|3,0,0]=4 289 B13R1.28 C#CCNCCCc1ccccc1 34a_100000211184_100000184674 [1,0,0,0,0,0|3,0,0]=4 290 B13R1.28 C#CCNCCCc1ccccc1 34a_100000212058_100000211621 [1,0,0,0,0,0|3,0,0]=4 291 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210247_100000211621 [1,0,0,0,0,0|3,0,0]=4 292 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210828_100000184674 [1,0,0,0,0,0|3,0,0]=4 293 B13R1.28 C#CCOCCCc1ccccc1 7a_100000210828_100000038162 [1,0,0,0,0,0|3,0,0]=4 294 B13R1.28 C#CCSCCCc1ccccc1 62a_100000038162_100000211621 [1,0,0,0,0,0|3,0,0]=4 295 B13R1.28 C/C=C/CNCCc1ccccc1 34a_100000106460_100102629194 [1,0,0,0,0,0|1,0,2]=4 296 B13R1.28 C=CCCNCCc1ccccc1 2230a_100000106460_100000754431 [1,0,0,0,0,0|1,0,1]=3 297 B13R1.28 C=CCCNCCc1ccccc1 2230a_100015191253_100000765856 [1,0,0,0,0,0|1,0,1]=3 298 B13R1.28 C=CCCNCCc1ccccc1 34a_100000106460_100000754431 [1,0,0,0,0,0|1,0,1]=3 299 B13R1.28 C=CCCNCCc1ccccn1 2230a_100015191253_100015183660 [1,0,0,0,0,0|2,0,1]=4 300 B13R1.28 C=CCCNCCc1cccnc1 2230a_100000736294_100000754431 [1,0,0,0,0,0|2,0,1]=4 301 B13R1.28 C=CCCNCCc1cccnc1 2230a_100015191253_200011713674 [1,0,0,0,0,0|2,0,1]=4 302 B13R1.28 C=CCCNCCc1ccncc1 2230a_100015191253_100000723409 [1,0,0,0,0,0|2,0,1]=4 303 B13R1.28 C=CCCNCSc1ccccc1 2230a_100015191253_100011218342 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.28 C=CCCOCCc1ccccc1 34a_100000210268_100000754431 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.28 C=CCCOCCc1ccccc1 34a_100011205117_100000765856 [1,0,0,0,0,0|2,0,1]=4 306 B13R1.28 C=CCCOCCc1ccccc1 7a_100000210268_100000754431 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.28 C=CCCSCCc1ccccc1 62a_100000754431_100011218657 [1,0,0,0,0,0|2,0,1]=4 308 B13R1.28 C=CCCSCCc1ccccc1 62a_100000765856_100000754431 [1,0,0,0,0,0|2,0,1]=4 309 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000106460_100000748600 [1,0,0,0,0,0|1,0,1]=3 310 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000685387_100000765856 [1,0,0,0,0,0|1,0,1]=3 311 B13R1.28 CC#CCNCCc1ccccc1 34a_100000106460_100000748600 [1,0,0,0,0,0|1,0,1]=3 312 B13R1.28 CC#CCNCCc1ccccc1 34a_100000685387_100000765856 [1,0,0,0,0,0|1,0,1]=3 313 B13R1.28 CC#CCNCCc1ccccn1 2230a_100000685387_100015183660 [1,0,0,0,0,0|2,0,1]=4 314 B13R1.28 CC#CCNCCc1cccnc1 2230a_100000685387_200011713674 [1,0,0,0,0,0|2,0,1]=4 315 B13R1.28 CC#CCNCCc1cccnc1 2230a_100000736294_100000748600 [1,0,0,0,0,0|2,0,1]=4 316 B13R1.28 CC#CCNCCc1ccncc1 2230a_100000685387_100000723409 [1,0,0,0,0,0|2,0,1]=4 317 B13R1.28 CC#CCNCSc1ccccc1 2230a_100000685387_100011218342 [1,0,0,0,0,0|2,0,1]=4 318 B13R1.28 CC#CCOCCc1ccccc1 34a_100000210268_100000748600 [1,0,0,0,0,0|2,0,1]=4 319 B13R1.28 CC#CCOCCc1ccccc1 34a_100000761923_100000765856 [1,0,0,0,0,0|2,0,1]=4 320 B13R1.28 CC#CCOCCc1ccccc1 7a_100000210268_100000748600 [1,0,0,0,0,0|2,0,1]=4 321 B13R1.28 CC#CCSCCc1ccccc1 62a_100000748600_100011218657 [1,0,0,0,0,0|2,0,1]=4 322 B13R1.28 CC#CCSCCc1ccccc1 62a_100000765856_100000748600 [1,0,0,0,0,0|2,0,1]=4 323 B13R1.28 CC=CCNCCc1ccccc1 2230a_100000106460_100000070051 [1,0,0,0,0,0|1,0,2]=4 324 B13R1.28 CC=CCNCCc1ccccc1 34a_100000106460_100000070051 [1,0,0,0,0,0|1,0,2]=4 325 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [1,0,0,0,0,0|1,0,1]=3 326 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [1,0,0,0,0,0|1,0,1]=3 327 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [1,0,0,0,0,0|1,0,1]=3 328 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [1,0,0,0,0,0|1,0,1]=3 329 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [1,0,0,0,0,0|2,0,1]=4 330 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [1,0,0,0,0,0|2,0,1]=4 331 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [1,0,0,0,0,0|2,0,1]=4 332 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [1,0,0,0,0,0|2,0,1]=4 333 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [1,0,0,0,0,0|2,0,1]=4 334 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [1,0,0,0,0,0|2,0,1]=4 335 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [1,0,0,0,0,0|2,0,1]=4 336 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [1,0,0,0,0,0|2,0,1]=4 337 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [1,0,0,0,0,0|2,0,1]=4 338 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [1,0,0,0,0,0|2,0,1]=4 339 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [1,0,0,0,0,0|2,0,1]=4 340 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [1,0,0,0,0,0|2,0,1]=4 341 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [1,0,0,0,0,0|2,0,1]=4 342 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [1,0,0,0,0,0|2,0,1]=4 343 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [1,0,0,0,0,0|3,0,0]=4 345 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [1,0,0,0,0,0|3,0,0]=4 346 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [1,0,0,0,0,0|3,0,0]=4 347 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [1,0,0,0,0,0|3,0,0]=4 348 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [1,0,0,0,0,0|3,0,0]=4 349 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [1,0,0,0,0,0|3,0,0]=4 351 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [1,0,0,0,0,0|2,0,0]=3 352 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [1,0,0,0,0,0|2,0,0]=3 353 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [1,0,0,0,0,0|2,0,0]=3 354 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [1,0,0,0,0,0|3,0,0]=4 355 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [1,0,0,0,0,0|3,0,0]=4 356 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [1,0,0,0,0,0|3,0,0]=4 357 B13R1.28 COCCNCCc1ccncc1 2230a_100000209980_100000723409 [1,0,0,0,0,0|3,0,0]=4 358 B13R1.28 COCCNCSc1ccccc1 2230a_100000209980_100011218342 [1,0,0,0,0,0|3,0,0]=4 359 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [1,0,0,0,0,0|3,0,0]=4 360 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [1,0,0,0,0,0|3,0,0]=4 361 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [1,0,0,0,0,0|3,0,0]=4 362 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [1,0,0,0,0,0|3,0,0]=4 363 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [1,0,0,0,0,0|3,0,0]=4 364 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [1,0,0,0,0,0|3,0,0]=4 365 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [1,0,0,0,0,0|3,0,0]=4 366 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [1,0,0,0,0,0|2,0,0]=3 367 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [1,0,0,0,0,0|2,0,0]=3 368 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [1,0,0,0,0,0|2,0,0]=3 369 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [1,0,0,0,0,0|3,0,0]=4 370 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [1,0,0,0,0,0|3,0,0]=4 371 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [1,0,0,0,0,0|3,0,0]=4 372 B13R1.28 CSCCNCCc1ccncc1 2230a_100020590264_100000723409 [1,0,0,0,0,0|3,0,0]=4 373 B13R1.28 CSCCNCSc1ccccc1 2230a_100020590264_100011218342 [1,0,0,0,0,0|3,0,0]=4 374 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [1,0,0,0,0,0|3,0,0]=4 375 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [1,0,0,0,0,0|3,0,0]=4 377 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [1,0,0,0,0,0|3,0,0]=4 378 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [1,0,0,0,0,0|3,0,0]=4 379 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [1,0,0,0,0,0|3,0,0]=4 380 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [1,0,0,0,0,0|2,0,1]=4 381 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [1,0,0,0,0,0|1,0,1]=3 382 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [1,0,0,0,0,0|1,0,1]=3 383 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [1,0,0,0,0,0|1,0,1]=3 384 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [1,0,0,0,0,0|1,0,1]=3 385 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [1,0,0,0,0,0|2,0,1]=4 386 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [1,0,0,0,0,0|2,0,1]=4 387 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [1,0,0,0,0,0|2,0,1]=4 388 B13R1.28 FCCCNCCc1ccncc1 2230a_100015189416_100000723409 [1,0,0,0,0,0|2,0,1]=4 389 B13R1.28 FCCCNCSc1ccccc1 2230a_100015189416_100011218342 [1,0,0,0,0,0|2,0,1]=4 390 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [1,0,0,0,0,0|2,0,1]=4 391 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [1,0,0,0,0,0|2,0,1]=4 392 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [1,0,0,0,0,0|2,0,1]=4 393 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [1,0,0,0,0,0|2,0,1]=4 394 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [1,0,0,0,0,0|2,0,1]=4 395 B13R1.28 N#CCCCCOc1ccccc1 7a_100000210340_100000211819 [1,0,0,0,0,0|2,0,0]=3 396 B13R1.28 N#CCCCCOc1cccnc1 7a_100000210849_100000211819 [1,0,0,0,0,0|3,0,0]=4 397 B13R1.28 N#CCCCCSc1ccccc1 62a_100000719477_100000211819 [1,0,0,0,0,0|2,0,0]=3 398 B13R1.28 N#CCCCCSc1ccccc1 62a_100011219923_100000041952 [1,0,0,0,0,0|2,0,0]=3 399 B13R1.28 N#CCCCCSc1ccccn1 62a_100011216584_100000211819 [1,0,0,0,0,0|3,0,0]=4 400 B13R1.28 N#CCCCCSc1ccccn1 62a_100011219923_100011216584 [1,0,0,0,0,0|3,0,0]=4 401 B13R1.28 N#CCCCCSc1cccnc1 62a_100000210063_100000211819 [1,0,0,0,0,0|3,0,0]=4 402 B13R1.28 N#CCCCCSc1cccnc1 62a_100011219923_100000210063 [1,0,0,0,0,0|3,0,0]=4 403 B13R1.28 N#CCCCCSc1ccncc1 62a_100000728582_100000211819 [1,0,0,0,0,0|3,0,0]=4 404 B13R1.28 N#CCCCCSc1ccncc1 62a_100011219923_100000728582 [1,0,0,0,0,0|3,0,0]=4 405 B13R1.28 N#CCCCNCc1ccccc1 2230a_100015324214_100000687738 [1,0,0,0,0,0|2,0,0]=3 406 B13R1.28 N#CCCCOCc1ccccc1 7a_100000210790_100000687738 [1,0,0,0,0,0|2,0,0]=3 407 B13R1.28 N#CCCCSCc1ccccc1 62a_100000211182_100000687738 [1,0,0,0,0,0|2,0,0]=3 408 B13R1.28 N#CCCCSCc1ccccc1 62a_100000687738_100015291786 [1,0,0,0,0,0|2,0,0]=3 409 B13R1.28 N#CCCCSCc1ccccn1 62a_100000687738_100000721315 [1,0,0,0,0,0|3,0,0]=4 410 B13R1.28 N#CCCCSCc1ccccn1 62a_100000721315_100000687738 [1,0,0,0,0,0|3,0,0]=4 411 B13R1.28 N#CCCCSCc1cccnc1 62a_100000687738_100000741622 [1,0,0,0,0,0|3,0,0]=4 412 B13R1.28 N#CCCCSCc1cccnc1 62a_100000741622_100000687738 [1,0,0,0,0,0|3,0,0]=4 413 B13R1.28 N#CCCCSCc1ccncc1 62a_100000687738_100015193705 [1,0,0,0,0,0|3,0,0]=4 414 B13R1.28 N#CCCCSCc1ccncc1 62a_100015193705_100000687738 [1,0,0,0,0,0|3,0,0]=4 415 B13R1.28 N#CCCNCCc1ccccc1 2230a_100000106460_100011215226 [1,0,0,0,0,0|0,0,0]=1 416 B13R1.28 N#CCCNCCc1cccnc1 2230a_100000736294_100011215226 [1,0,0,0,0,0|1,0,0]=2 417 B13R1.28 N#CCCNN=Cc1ccccc1 4a_100000229987_100015611070 [1,0,0,0,0,0|1,0,1]=3 418 B13R1.28 N#CCCNN=Cc1ccccn1 4a_100000229987_100000209966 [1,0,0,0,0,0|2,0,1]=4 419 B13R1.28 N#CCCNN=Cc1cccnc1 4a_100000229987_100000209961 [1,0,0,0,0,0|2,0,1]=4 420 B13R1.28 N#CCCNN=Cc1ccncc1 4a_100000229987_100000186114 [1,0,0,0,0,0|2,0,1]=4 421 B13R1.28 N#CCCOCCc1ccccc1 7a_100000210268_100000184422 [1,0,0,0,0,0|1,0,0]=2 422 B13R1.28 N#CCCSCCc1ccccc1 62a_100000765856_100011215226 [1,0,0,0,0,0|1,0,0]=2 423 B13R1.28 N#CCCSCCc1ccccc1 62a_100011215226_100011218657 [1,0,0,0,0,0|1,0,0]=2 424 B13R1.28 N#CCCSCCc1ccccn1 62a_100011215226_100015183660 [1,0,0,0,0,0|2,0,0]=3 425 B13R1.28 N#CCCSCCc1ccccn1 62a_100015183660_100011215226 [1,0,0,0,0,0|2,0,0]=3 426 B13R1.28 N#CCCSCCc1cccnc1 62a_100011215226_200011713674 [1,0,0,0,0,0|2,0,0]=3 427 B13R1.28 N#CCCSCCc1cccnc1 62a_200011713674_100011215226 [1,0,0,0,0,0|2,0,0]=3 428 B13R1.28 N#CCCSCCc1ccncc1 62a_100000723409_100011215226 [1,0,0,0,0,0|2,0,0]=3 429 B13R1.28 N#CCCSCCc1ccncc1 62a_100011215226_100000723409 [1,0,0,0,0,0|2,0,0]=3 430 B13R1.28 N#CCCSCSc1ccccc1 62a_100011215226_100011218342 [1,0,0,0,0,0|2,0,0]=3 431 B13R1.28 N#CCCSCSc1ccccc1 62a_100011218342_100011215226 [1,0,0,0,0,0|2,0,0]=3 432 B13R1.28 N#CCNCCCc1ccccc1 2230a_100000211184_100011215382 [1,0,0,0,0,0|2,0,0]=3 433 B13R1.28 N#CCNCCCc1cccnc1 2230a_100011532358_100011215382 [1,0,0,0,0,0|3,0,0]=4 434 B13R1.28 N#CCNCCCc1ccncc1 2230a_100011275580_100011215382 [1,0,0,0,0,0|3,0,0]=4 435 B13R1.28 N#CCNCCOc1ccccc1 2230a_100000174943_100011215382 [1,0,0,0,0,0|3,0,0]=4 436 B13R1.28 N#CCNCCSc1ccccc1 2230a_100000189519_100011215382 [1,0,0,0,0,0|3,0,0]=4 437 B13R1.28 N#CCOCCCc1ccccc1 7a_100000210828_100011215382 [1,0,0,0,0,0|2,0,0]=3 438 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210260_100011215382 [1,0,0,0,0,0|3,0,0]=4 439 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210340_200000047693 [1,0,0,0,0,0|3,0,0]=4 440 B13R1.28 N#CCOCCSc1ccccc1 62a_100000719477_200000047693 [1,0,0,0,0,0|3,0,0]=4 441 B13R1.28 N#CCOCCSc1ccccc1 62a_200000047693_100000041952 [1,0,0,0,0,0|3,0,0]=4 442 B13R1.28 N#CCOCCSc1ccccc1 7a_100000230494_100011215382 [1,0,0,0,0,0|3,0,0]=4 443 B13R1.28 N#CCSCCCc1ccccc1 62a_100000211621_100011215382 [1,0,0,0,0,0|2,0,0]=3 444 B13R1.28 N#CCSCCCc1ccccc1 62a_100011215382_100000211621 [1,0,0,0,0,0|2,0,0]=3 445 B13R1.28 N#CCSCCOc1ccccc1 62a_100000184471_100011215382 [1,0,0,0,0,0|3,0,0]=4 446 B13R1.28 N#CCSCCOc1ccccc1 62a_100011215382_100000184471 [1,0,0,0,0,0|3,0,0]=4 447 B13R1.28 N#CCSCCSc1ccccc1 62a_100000246102_100011215382 [1,0,0,0,0,0|3,0,0]=4 448 B13R1.28 N#CCSCCSc1ccccc1 62a_100011215382_100000246102 [1,0,0,0,0,0|3,0,0]=4 449 B13R1.28 N#CCSCOCc1ccccc1 62a_100000763385_100011215382 [1,0,0,0,0,0|3,0,0]=4 450 B13R1.28 N#CCSCOCc1ccccc1 62a_100011215382_100000763385 [1,0,0,0,0,0|3,0,0]=4 451 B13R1.28 N#CCSCSCc1ccccc1 62a_100011215382_200011217039 [1,0,0,0,0,0|3,0,0]=4 452 B13R1.28 N#CCSCSCc1ccccc1 62a_200011217039_100011215382 [1,0,0,0,0,0|3,0,0]=4 453 B13R1.28 N#CSCCSCc1ccccc1 62a_100000034367_100015291786 [1,0,0,0,0,0|3,0,0]=4 454 B13R1.28 N#CSCCSCc1ccccc1 62a_100000211182_100000034367 [1,0,0,0,0,0|3,0,0]=4 455 B13R1.28 N#CSCSCCc1ccccc1 62a_100000211825_100011218657 [1,0,0,0,0,0|2,0,0]=3 456 B13R1.28 N#CSCSCCc1ccccc1 62a_100000765856_100000211825 [1,0,0,0,0,0|2,0,0]=3 457 B13R1.28 N#CSCSCCc1ccccn1 62a_100000211825_100015183660 [1,0,0,0,0,0|3,0,0]=4 458 B13R1.28 N#CSCSCCc1ccccn1 62a_100015183660_100000211825 [1,0,0,0,0,0|3,0,0]=4 459 B13R1.28 N#CSCSCCc1cccnc1 62a_100000211825_200011713674 [1,0,0,0,0,0|3,0,0]=4 460 B13R1.28 N#CSCSCCc1cccnc1 62a_200011713674_100000211825 [1,0,0,0,0,0|3,0,0]=4 461 B13R1.28 N#CSCSCCc1ccncc1 62a_100000211825_100000723409 [1,0,0,0,0,0|3,0,0]=4 462 B13R1.28 N#CSCSCCc1ccncc1 62a_100000723409_100000211825 [1,0,0,0,0,0|3,0,0]=4 463 B13R1.28 N#CSCSCSc1ccccc1 62a_100000211825_100011218342 [1,0,0,0,0,0|3,0,0]=4 464 B13R1.28 N#CSCSCSc1ccccc1 62a_100011218342_100000211825 [1,0,0,0,0,0|3,0,0]=4 465 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [1,0,0,0,0,0|1,0,2]=4 466 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [1,0,0,0,0,0|2,0,1]=4 467 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [1,0,0,0,0,0|1,0,1]=3 468 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [1,0,0,0,0,0|1,0,1]=3 469 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [1,0,0,0,0,0|2,0,1]=4 470 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [1,0,0,0,0,0|2,0,1]=4 471 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [1,0,0,0,0,0|2,0,1]=4 472 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [1,0,0,0,0,0|2,0,1]=4 473 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [1,0,0,0,0,0|2,0,1]=4 474 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [1,0,0,0,0,0|3,0,0]=4 475 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [1,0,0,0,0,0|3,0,0]=4 476 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [1,0,0,0,0,0|3,0,0]=4 477 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [1,0,0,0,0,0|3,0,0]=4 478 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [1,0,0,0,0,0|3,0,0]=4 479 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [1,0,0,0,0,0|3,0,0]=4 480 B13R1.44 C#CCCC(=O)Cc1ccccc1 1458a_100000692101_100015291786 [1,0,0,0,0,0|2,0,1]=4 481 B13R1.44 C#CCCN(C)Cc1ccccc1 2230a_100000186898_100000688953 [1,0,0,0,0,0|2,0,0]=3 482 B13R1.44 C#CCCN(C)Cc1ccccc1 269982a_100000186898_100000730999 [1,0,0,0,0,0|2,0,0]=3 483 B13R1.44 C#CCCN(C)Cc1ccccn1 2230a_100000207498_100000688953 [1,0,0,0,0,0|3,0,0]=4 484 B13R1.44 C#CCCN(C)Cc1ccccn1 269982a_100000207498_100000730999 [1,0,0,0,0,0|3,0,0]=4 485 B13R1.44 C#CCCN(C)Cc1cccnc1 2230a_100000184577_100000688953 [1,0,0,0,0,0|3,0,0]=4 486 B13R1.44 C#CCCN(C)Cc1cccnc1 269982a_100000184577_100000730999 [1,0,0,0,0,0|3,0,0]=4 487 B13R1.44 C#CCCN(C)Cc1ccncc1 2230a_100000187231_100000688953 [1,0,0,0,0,0|3,0,0]=4 488 B13R1.44 C#CCCN(C)Cc1ccncc1 269982a_100000187231_100000730999 [1,0,0,0,0,0|3,0,0]=4 489 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [1,0,0,0,0,0|0,0,1]=2 490 B13R1.44 C#CCNC(C)Cc1ccccn1 2230a_100000238496_100000038162 [1,0,0,0,0,0|1,0,1]=3 491 B13R1.44 C#CCNC(C)Cc1cccnc1 2230a_100011207255_100000038162 [1,0,0,0,0,0|1,0,1]=3 492 B13R1.44 C#CCNC(C)Cc1cnccn1 2230a_100011277835_100000038162 [1,0,0,0,0,0|2,0,1]=4 493 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [1,0,0,0,0,0|1,0,1]=3 494 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [1,0,0,0,0,0|1,0,1]=3 495 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [1,0,0,0,0,0|1,0,1]=3 496 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [1,0,0,0,0,0|1,0,1]=3 497 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100000186898_100000754431 [1,0,0,0,0,0|2,0,1]=4 498 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100011934112_200000210301 [1,0,0,0,0,0|2,0,1]=4 499 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100020639649_100015291786 [1,0,0,0,0,0|2,0,1]=4 500 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100000186898_100000754431 [1,0,0,0,0,0|2,0,1]=4 501 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100011934112_200000210301 [1,0,0,0,0,0|2,0,1]=4 502 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100020639649_100000211182 [1,0,0,0,0,0|2,0,1]=4 503 B13R1.44 C=CCCN(C)Cc1ccccc1 270004a_100020639649_100015611070 [1,0,0,0,0,0|2,0,1]=4 504 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 2230a_100011934112_200025704644 [1,0,0,0,0,0|2,0,1]=4 505 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 269982a_100011934112_200025704644 [1,0,0,0,0,0|2,0,1]=4 506 B13R1.44 C=CCNC(C)C[n+]1ccccc1 270004a_100020586998_100000034229 [1,0,0,0,0,0|1,0,2]=4 507 B13R1.44 C=CCNC(C)Cc1ccccn1 2230a_100000238496_100000210623 [1,0,0,0,0,0|1,0,2]=4 508 B13R1.44 C=CCNC(C)Cc1cccnc1 2230a_100011207255_100000210623 [1,0,0,0,0,0|1,0,2]=4 509 B13R1.44 C=CCNC(C)Cc1cccnc1 270004a_100020586998_100015187140 [1,0,0,0,0,0|1,0,2]=4 510 B13R1.44 C=CCNC(C)Cc1ccncc1 270004a_100020586998_100000238508 [1,0,0,0,0,0|1,0,2]=4 511 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [1,0,0,0,0,0|1,0,2]=4 512 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [1,0,0,0,0,0|1,0,2]=4 513 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [1,0,0,0,0,0|1,0,2]=4 514 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [1,0,0,0,0,0|1,0,2]=4 515 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [1,0,0,0,0,0|1,0,2]=4 516 B13R1.44 CC#CCN(C)Cc1ccccc1 2230a_100000186898_100000748600 [1,0,0,0,0,0|2,0,1]=4 517 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [1,0,0,0,0,0|2,0,1]=4 518 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [1,0,0,0,0,0|2,0,1]=4 519 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [1,0,0,0,0,0|2,0,0]=3 520 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [1,0,0,0,0,0|1,0,0]=2 521 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [1,0,0,0,0,0|1,0,0]=2 522 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [1,0,0,0,0,0|1,0,0]=2 523 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [1,0,0,0,0,0|2,0,1]=4 524 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [1,0,0,0,0,0|2,0,1]=4 525 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [1,0,0,0,0,0|2,0,0]=3 526 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [1,0,0,0,0,0|2,0,0]=3 527 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [1,0,0,0,0,0|2,0,0]=3 528 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [1,0,0,0,0,0|1,0,1]=3 529 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [1,0,0,0,0,0|2,0,0]=3 530 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [1,0,0,0,0,0|2,0,0]=3 531 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [1,0,0,0,0,0|1,0,0]=2 532 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [1,0,0,0,0,0|1,0,0]=2 533 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [1,0,0,0,0,0|2,0,1]=4 534 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [1,0,0,0,0,0|2,0,1]=4 535 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [1,0,0,0,0,0|2,0,0]=3 536 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [1,0,0,0,0,0|2,0,0]=3 537 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [1,0,0,0,0,0|2,0,0]=3 538 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [1,0,0,0,0,0|2,0,0]=3 539 B13R1.44 CC(Cc1ccccn1)NCC#N 2230a_100000238496_100011215382 [1,0,0,0,0,0|1,0,0]=2 540 B13R1.44 CC(Cc1ccccn1)NCC=O 2230a_100000238496_200015260668 [1,0,0,0,0,0|2,0,1]=4 541 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [1,0,0,0,0,0|2,0,0]=3 542 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [1,0,0,0,0,0|2,0,0]=3 543 B13R1.44 CC(Cc1cccnc1)NCC#N 2230a_100011207255_100011215382 [1,0,0,0,0,0|1,0,0]=2 544 B13R1.44 CC(Cc1cccnc1)NCC=O 2230a_100011207255_200015260668 [1,0,0,0,0,0|2,0,1]=4 545 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [1,0,0,0,0,0|2,0,0]=3 546 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [1,0,0,0,0,0|2,0,0]=3 547 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [1,0,0,0,0,0|2,0,0]=3 548 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [1,0,0,0,0,0|2,0,0]=3 549 B13R1.44 CC(Cc1cnccn1)NCC#N 2230a_100011277835_100011215382 [1,0,0,0,0,0|2,0,0]=3 550 B13R1.44 CC(Cc1cnccn1)NCCF 2230a_100011277835_100011217306 [1,0,0,0,0,0|3,0,0]=4 551 B13R1.44 CC(Cc1cnccn1)NCCO 2230a_100011277835_100000211926 [1,0,0,0,0,0|3,0,0]=4 552 B13R1.44 CC(Cc1cnccn1)NCCO 270004a_100000210304_100015184882 [1,0,0,0,0,0|3,0,0]=4 553 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [1,0,0,0,0,0|2,0,1]=4 554 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [1,0,0,0,0,0|2,0,1]=4 555 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [1,0,0,0,0,0|2,0,1]=4 556 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [1,0,0,0,0,0|2,0,1]=4 557 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [1,0,0,0,0,0|2,0,1]=4 558 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [1,0,0,0,0,0|2,0,1]=4 559 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [1,0,0,0,0,0|2,0,1]=4 560 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [1,0,0,0,0,0|2,0,1]=4 561 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [1,0,0,0,0,0|2,0,1]=4 562 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [1,0,0,0,0,0|2,0,1]=4 563 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [1,0,0,0,0,0|2,0,1]=4 564 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [1,0,0,0,0,0|2,0,1]=4 565 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [1,0,0,0,0,0|2,0,1]=4 566 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [1,0,0,0,0,0|2,0,1]=4 567 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [1,0,0,0,0,0|1,0,1]=3 568 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [1,0,0,0,0,0|1,0,1]=3 569 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [1,0,0,0,0,0|1,0,1]=3 570 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [1,0,0,0,0,0|1,0,1]=3 571 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [1,0,0,0,0,0|1,0,1]=3 572 B13R1.44 CCCNC(C)Cc1cnccn1 2230a_100011277835_100000210303 [1,0,0,0,0,0|2,0,1]=4 573 B13R1.44 CCCNC(C)Cc1cnccn1 270004a_100020643023_100015184882 [1,0,0,0,0,0|2,0,1]=4 574 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [1,0,0,0,0,0|1,0,1]=3 575 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [1,0,0,0,0,0|1,0,1]=3 576 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [1,0,0,0,0,0|1,0,1]=3 577 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [1,0,0,0,0,0|1,0,1]=3 578 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [1,0,0,0,0,0|1,0,1]=3 579 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [1,0,0,0,0,0|2,0,1]=4 580 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [1,0,0,0,0,0|2,0,1]=4 581 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000177507_200000210301 [1,0,0,0,0,0|1,0,0]=2 582 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000184479_100015291786 [1,0,0,0,0,0|1,0,0]=2 583 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000186898_100011215226 [1,0,0,0,0,0|1,0,0]=2 584 B13R1.44 CN(CCC#N)Cc1ccccc1 269982a_100000186898_100011215226 [1,0,0,0,0,0|1,0,0]=2 585 B13R1.44 CN(CCC#N)Cc1ccccc1 270004a_100000184479_100015611070 [1,0,0,0,0,0|1,0,0]=2 586 B13R1.44 CN(CCC#N)Cc1ccccn1 2230a_100000184479_100000721315 [1,0,0,0,0,0|2,0,0]=3 587 B13R1.44 CN(CCC#N)Cc1ccccn1 2230a_100000207498_100011215226 [1,0,0,0,0,0|2,0,0]=3 588 B13R1.44 CN(CCC#N)Cc1ccccn1 269982a_100000207498_100011215226 [1,0,0,0,0,0|2,0,0]=3 589 B13R1.44 CN(CCC#N)Cc1ccccn1 270004a_100000184479_100000209966 [1,0,0,0,0,0|2,0,0]=3 590 B13R1.44 CN(CCC#N)Cc1cccnc1 2230a_100000184479_100000741622 [1,0,0,0,0,0|2,0,0]=3 591 B13R1.44 CN(CCC#N)Cc1cccnc1 2230a_100000184577_100011215226 [1,0,0,0,0,0|2,0,0]=3 592 B13R1.44 CN(CCC#N)Cc1cccnc1 269982a_100000184577_100011215226 [1,0,0,0,0,0|2,0,0]=3 593 B13R1.44 CN(CCC#N)Cc1cccnc1 270004a_100000184479_100000209961 [1,0,0,0,0,0|2,0,0]=3 594 B13R1.44 CN(CCC#N)Cc1cccnn1 2230a_100000184479_100016990269 [1,0,0,0,0,0|3,0,0]=4 595 B13R1.44 CN(CCC#N)Cc1ccncc1 2230a_100000184479_100015193705 [1,0,0,0,0,0|2,0,0]=3 596 B13R1.44 CN(CCC#N)Cc1ccncc1 2230a_100000187231_100011215226 [1,0,0,0,0,0|2,0,0]=3 597 B13R1.44 CN(CCC#N)Cc1ccncc1 269982a_100000187231_100011215226 [1,0,0,0,0,0|2,0,0]=3 598 B13R1.44 CN(CCC#N)Cc1ccnnc1 270004a_100000184479_100011934578 [1,0,0,0,0,0|3,0,0]=4 599 B13R1.44 CN(CCC#N)Cc1cnccn1 2230a_100000184479_100016995436 [1,0,0,0,0,0|3,0,0]=4 600 B13R1.44 CN(CCC#N)Cc1cnccn1 2230a_100011269079_100011215226 [1,0,0,0,0,0|3,0,0]=4 601 B13R1.44 CN(CCC#N)Cc1cnccn1 269982a_100011269079_100011215226 [1,0,0,0,0,0|3,0,0]=4 602 B13R1.44 CN(CCC#N)Cc1cnccn1 270004a_100000184479_100000749867 [1,0,0,0,0,0|3,0,0]=4 603 B13R1.44 CN(CCC#N)Cc1cncnc1 2230a_100000184479_100015196519 [1,0,0,0,0,0|3,0,0]=4 604 B13R1.44 CN(CCC#N)Cc1cncnc1 270004a_100000184479_100000749868 [1,0,0,0,0,0|3,0,0]=4 605 B13R1.44 CN(CCC#N)Cc1ncccn1 2230a_100000184479_100000703007 [1,0,0,0,0,0|3,0,0]=4 606 B13R1.44 CN(CCC#N)Cc1ncccn1 2230a_100025716638_100011215226 [1,0,0,0,0,0|3,0,0]=4 607 B13R1.44 CN(CCC#N)Cc1ncccn1 269982a_100025716638_100011215226 [1,0,0,0,0,0|3,0,0]=4 608 B13R1.44 CN(CCC#N)Cc1ncccn1 270004a_100000184479_100011532527 [1,0,0,0,0,0|3,0,0]=4 609 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [1,0,0,0,0,0|2,0,1]=4 610 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [1,0,0,0,0,0|2,0,1]=4 611 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [1,0,0,0,0,0|2,0,1]=4 612 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [1,0,0,0,0,0|2,0,1]=4 613 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [1,0,0,0,0,0|2,0,1]=4 614 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [1,0,0,0,0,0|2,0,1]=4 615 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [1,0,0,0,0,0|2,0,1]=4 616 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [1,0,0,0,0,0|2,0,1]=4 617 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [1,0,0,0,0,0|2,0,1]=4 618 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [1,0,0,0,0,0|3,0,0]=4 619 B13R1.44 CN(CSC#N)Cc1ccccc1 269982a_100000186898_100000211825 [1,0,0,0,0,0|2,0,0]=3 620 B13R1.44 CN(CSC#N)Cc1ccccn1 269982a_100000207498_100000211825 [1,0,0,0,0,0|3,0,0]=4 621 B13R1.44 CN(CSC#N)Cc1cccnc1 269982a_100000184577_100000211825 [1,0,0,0,0,0|3,0,0]=4 622 B13R1.44 CN(CSC#N)Cc1ccncc1 269982a_100000187231_100000211825 [1,0,0,0,0,0|3,0,0]=4 623 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [1,0,0,0,0,0|3,0,0]=4 624 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [1,0,0,0,0,0|3,0,0]=4 625 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [1,0,0,0,0,0|3,0,0]=4 626 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [1,0,0,0,0,0|3,0,0]=4 627 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [1,0,0,0,0,0|3,0,0]=4 628 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [1,0,0,0,0,0|3,0,0]=4 629 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [1,0,0,0,0,0|3,0,0]=4 630 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [1,0,0,0,0,0|3,0,0]=4 631 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [1,0,0,0,0,0|3,0,0]=4 632 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [1,0,0,0,0,0|2,0,1]=4 633 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [1,0,0,0,0,0|2,0,1]=4 634 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [1,0,0,0,0,0|2,0,1]=4 635 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [1,0,0,0,0,0|2,0,1]=4 636 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [1,0,0,0,0,0|3,0,0]=4 637 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [1,0,0,0,0,0|3,0,0]=4 638 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [1,0,0,0,0,0|3,0,0]=4 639 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [1,0,0,0,0,0|3,0,0]=4 640 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [1,0,0,0,0,0|3,0,0]=4 641 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [1,0,0,0,0,0|3,0,0]=4 642 B13R1.44 CSCNC(C)Cc1ccccn1 2230a_100000238496_100011218213 [1,0,0,0,0,0|2,0,1]=4 643 B13R1.44 CSCNC(C)Cc1cccnc1 2230a_100011207255_100011218213 [1,0,0,0,0,0|2,0,1]=4 644 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [1,0,0,0,0,0|2,0,1]=4 645 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [1,0,0,0,0,0|2,0,1]=4 646 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [1,0,0,0,0,0|2,0,1]=4 647 B13R1.44 N#CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011215226 [1,0,0,0,0,0|2,0,1]=4 648 B13R1.44 N#CCCC(=O)Cc1ccccc1 1458a_100011934036_100015291786 [1,0,0,0,0,0|1,0,1]=3 649 B13R1.44 N#CCCC(=O)Cc1ccccn1 1458a_100000233486_100011215226 [1,0,0,0,0,0|2,0,1]=4 650 B13R1.44 N#CCCC(=O)Cc1ccccn1 1458a_100011934036_100000721315 [1,0,0,0,0,0|2,0,1]=4 651 B13R1.44 N#CCCC(=O)Cc1cccnc1 1458a_100000737805_100011215226 [1,0,0,0,0,0|2,0,1]=4 652 B13R1.44 N#CCCC(=O)Cc1cccnc1 1458a_100011934036_100000733263 [1,0,0,0,0,0|2,0,1]=4 653 B13R1.44 N#CCCC(=O)Cc1ccncc1 1458a_100011934036_100000705612 [1,0,0,0,0,0|2,0,1]=4 654 B13R1.44 N#CCCC(=O)Nc1ccccc1 11a_100000106764_100011934036 [1,0,0,0,0,0|2,0,1]=4 655 B13R1.44 N#CCCC(=O)Nc1ccccc1 1626a_100000106764_100011934036 [1,0,0,0,0,0|2,0,1]=4 656 B13R1.44 N#CCCC(=O)Nc1ccccc1 22a_100000106764_100011934036 [1,0,0,0,0,0|2,0,1]=4 657 B13R1.44 N#CCCC(=O)Nc1ccccc1 527a_100000106764_100011934036 [1,0,0,0,0,0|2,0,1]=4 658 B13R1.44 N#CCNC(=O)C[n+]1ccccc1 527a_100000734998_200000086051 [1,0,0,0,0,0|2,0,1]=4 659 B13R1.44 N#CCNC(=O)Cc1cccnc1 527a_100000734998_100000737805 [1,0,0,0,0,0|2,0,1]=4 660 B13R1.44 N#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000734998 [1,0,0,0,0,0|2,0,1]=4 661 B13R1.44 [13CH3]N(CCC#N)Cc1ccccc1 2230a_100000177507_200025704644 [1,0,0,0,0,0|1,0,0]=2 662 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [1,0,0,0,0,0|2,0,1]=4 663 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [1,0,0,0,0,0|2,0,1]=4 664 B15R1.83 C#CCCCCN(C)Cc1ccccc1 2230a_100000186898_100010269958 [0,1,0,0,0,0|3,0,0]=4 665 B15R1.83 C#CCCCCN(C)Cc1ccccc1 269982a_100000186898_100010269958 [0,1,0,0,0,0|3,0,0]=4 666 B15R1.83 C#CCCCNC(C)C[n+]1ccccc1 270004a_100000718082_100000034229 [0,1,0,0,0,0|2,0,0]=3 667 B15R1.83 C#CCCCNC(C)Cc1ccccc1 34a_100000718082_200011218536 [0,1,0,0,0,0|1,0,0]=2 668 B15R1.83 C#CCCCNC(C)Cc1ccccn1 2230a_100000238496_100000731252 [0,1,0,0,0,0|2,0,0]=3 669 B15R1.83 C#CCCCNC(C)Cc1cccnc1 2230a_100011207255_100000731252 [0,1,0,0,0,0|2,0,0]=3 670 B15R1.83 C#CCCCNC(C)Cc1cccnc1 270004a_100000718082_100015187140 [0,1,0,0,0,0|2,0,0]=3 671 B15R1.83 C#CCCCNC(C)Cc1ccncc1 270004a_100000718082_100000238508 [0,1,0,0,0,0|2,0,0]=3 672 B15R1.83 C#CCCCNC(C)Cc1cnccn1 2230a_100011277835_100000731252 [0,1,0,0,0,0|3,0,0]=4 673 B15R1.83 C#CCCCNC(C)Cc1cnccn1 270004a_100000718082_100015184882 [0,1,0,0,0,0|3,0,0]=4 674 B15R1.83 C#CCCCOC(C)Cc1ccccc1 34a_100000215630_200011218536 [0,1,0,0,0,0|2,0,0]=3 675 B15R1.83 C#CCCCOC(C)Cc1ccccc1 34a_100000748627_100000695029 [0,1,0,0,0,0|2,0,0]=3 676 B15R1.83 C#CCCCOC(C)Cc1ccccc1 7a_100000215630_200011218536 [0,1,0,0,0,0|2,0,0]=3 677 B15R1.83 C#CCCCOC(C)Cc1ccccc1 7a_100000748627_100011215417 [0,1,0,0,0,0|2,0,0]=3 678 B15R1.83 C#CCCCSC(C)Cc1ccccc1 62a_100011215417_200011218536 [0,1,0,0,0,0|2,0,0]=3 679 B15R1.83 C#CCCCSC(C)Cc1ccccc1 62a_200011218536_100011215417 [0,1,0,0,0,0|2,0,0]=3 680 B15R1.83 C#CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000688953 [0,1,0,0,0,0|2,0,0]=3 681 B15R1.83 C#CCCNCC(C)Oc1ccccc1 34a_100000755676_100000688953 [0,1,0,0,0,0|2,0,0]=3 682 B15R1.83 C#CCCNCC(C)Oc1cccnc1 2230a_200011219418_100000688953 [0,1,0,0,0,0|3,0,0]=4 683 B15R1.83 C#CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000688953 [0,1,0,0,0,0|2,0,0]=3 684 B15R1.83 C#CCCNC[C@@H](O)Cc1ccccc1 34a_100000755551_100000729385 [0,1,0,0,0,0|2,0,0]=3 685 B15R1.83 C#CCCOCC(C)Cc1ccccc1 34a_100012125295_100000688953 [0,1,0,0,0,0|2,0,0]=3 686 B15R1.83 C#CCCOCC(C)Cc1ccccc1 7a_100012125295_100000688953 [0,1,0,0,0,0|2,0,0]=3 687 B15R1.83 C#CCCOCC(C)Oc1ccccc1 34a_200000036796_100000688953 [0,1,0,0,0,0|3,0,0]=4 688 B15R1.83 C#CCCOCC(C)Oc1ccccc1 7a_200000036796_100000688953 [0,1,0,0,0,0|3,0,0]=4 689 B15R1.83 C#CCCOCC(N)Cc1ccccc1 34a_100000739027_100000688953 [0,1,0,0,0,0|3,0,0]=4 690 B15R1.83 C#CCCOC[C@@H](O)Cc1ccccc1 34a_100011215631_100000729385 [0,1,0,0,0,0|3,0,0]=4 691 B15R1.83 C#CCCSC[C@@H](O)Cc1ccccc1 62a_100000688953_100000729385 [0,1,0,0,0,0|3,0,0]=4 692 B15R1.83 C#CCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000688953 [0,1,0,0,0,0|3,0,0]=4 693 B15R1.83 C#CCNCCN(C)Cc1ccccc1 34a_100000212058_100015196923 [0,1,0,0,0,0|3,0,0]=4 694 B15R1.83 C#CCOCCN(C)Cc1ccccc1 2230a_100000186898_100010402529 [0,1,0,0,0,0|3,0,0]=4 695 B15R1.83 C#CCOCCN(C)Cc1ccccc1 34a_100000210247_100015196923 [0,1,0,0,0,0|3,0,0]=4 696 B15R1.83 C#CCSCCN(C)Cc1ccccc1 62a_100000038162_100015196923 [0,1,0,0,0,0|3,0,0]=4 697 B15R1.83 C/C(=C\c1ccccc1)/COCCC#N 7a_200025717232_100000184422 [0,1,0,0,0,0|1,0,2]=4 698 B15R1.83 C/C=C/CCOC(C)Cc1ccccc1 34a_100016278192_200011218536 [0,1,0,0,0,0|2,0,1]=4 699 B15R1.83 C=CCCCNC(C)C[n+]1ccccc1 270004a_100000700776_100000034229 [0,1,0,0,0,0|2,0,1]=4 700 B15R1.83 C=CCCCNC(C)Cc1ccccc1 34a_100000700776_200011218536 [0,1,0,0,0,0|1,0,1]=3 701 B15R1.83 C=CCCCNC(C)Cc1ccccn1 2230a_100000238496_100011713584 [0,1,0,0,0,0|2,0,1]=4 702 B15R1.83 C=CCCCNC(C)Cc1cccnc1 2230a_100011207255_100011713584 [0,1,0,0,0,0|2,0,1]=4 703 B15R1.83 C=CCCCNC(C)Cc1cccnc1 270004a_100000700776_100015187140 [0,1,0,0,0,0|2,0,1]=4 704 B15R1.83 C=CCCCNC(C)Cc1ccncc1 270004a_100000700776_100000238508 [0,1,0,0,0,0|2,0,1]=4 705 B15R1.83 C=CCCCOC(C)Cc1ccccc1 34a_100000748627_100000757094 [0,1,0,0,0,0|2,0,1]=4 706 B15R1.83 C=CCCCOC(C)Cc1ccccc1 34a_100000758997_200011218536 [0,1,0,0,0,0|2,0,1]=4 707 B15R1.83 C=CCCCOC(C)Cc1ccccc1 7a_100000748627_100000757094 [0,1,0,0,0,0|2,0,1]=4 708 B15R1.83 C=CCCCOC(C)Cc1ccccc1 7a_100000758997_200011218536 [0,1,0,0,0,0|2,0,1]=4 709 B15R1.83 C=CCCCSC(C)Cc1ccccc1 62a_100011713584_200011218536 [0,1,0,0,0,0|2,0,1]=4 710 B15R1.83 C=CCCCSC(C)Cc1ccccc1 62a_200011218536_100000757094 [0,1,0,0,0,0|2,0,1]=4 711 B15R1.83 C=CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000754431 [0,1,0,0,0,0|2,0,1]=4 712 B15R1.83 C=CCCNCC(C)Oc1ccccc1 34a_100000755676_100000754431 [0,1,0,0,0,0|2,0,1]=4 713 B15R1.83 C=CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000754431 [0,1,0,0,0,0|2,0,1]=4 714 B15R1.83 C=CCCNC[C@@H](O)Cc1ccccc1 2230a_100015191253_100000729385 [0,1,0,0,0,0|2,0,1]=4 715 B15R1.83 C=CCCOCC(C)Cc1ccccc1 34a_100012125295_100000754431 [0,1,0,0,0,0|2,0,1]=4 716 B15R1.83 C=CCCOCC(C)Cc1ccccc1 7a_100012125295_100000754431 [0,1,0,0,0,0|2,0,1]=4 717 B15R1.83 C=COCCNC(C)Cc1ccccn1 2230a_100000238496_100000039644 [0,1,0,0,0,0|2,0,1]=4 718 B15R1.83 C=COCCNC(C)Cc1cccnc1 2230a_100011207255_100000039644 [0,1,0,0,0,0|2,0,1]=4 719 B15R1.83 C=COCCOC(C)Cc1ccccc1 34a_100000033082_200011218536 [0,1,0,0,0,0|2,0,1]=4 720 B15R1.83 C=COCCOC(C)Cc1ccccc1 34a_100000748627_100000039644 [0,1,0,0,0,0|2,0,1]=4 721 B15R1.83 C=COCCOC(C)Cc1ccccc1 7a_100000748627_100000039644 [0,1,0,0,0,0|2,0,1]=4 722 B15R1.83 C=COCCSC(C)Cc1ccccc1 62a_100000039644_200011218536 [0,1,0,0,0,0|2,0,1]=4 723 B15R1.83 C=COCCSC(C)Cc1ccccc1 62a_200011218536_100000039644 [0,1,0,0,0,0|2,0,1]=4 724 B15R1.83 CC#CCCOC(C)Cc1ccccc1 34a_100000750427_200011218536 [0,1,0,0,0,0|2,0,0]=3 725 B15R1.83 CC#CCNCC(C)Oc1ccccc1 2230a_100000755676_100000748600 [0,1,0,0,0,0|2,0,1]=4 726 B15R1.83 CC#CCNCC(C)Oc1ccccc1 34a_100000755676_100000748600 [0,1,0,0,0,0|2,0,1]=4 727 B15R1.83 CC#CCNCC(O)Cc1ccccc1 2230a_100000752270_100000748600 [0,1,0,0,0,0|2,0,1]=4 728 B15R1.83 CC#CCNC[C@@H](O)Cc1ccccc1 2230a_100000685387_100000729385 [0,1,0,0,0,0|2,0,1]=4 729 B15R1.83 CC#CCNC[C@@H](O)Cc1ccccc1 34a_100000685387_100000729385 [0,1,0,0,0,0|2,0,1]=4 730 B15R1.83 CC#CCOCC(C)Cc1ccccc1 34a_100012125295_100000748600 [0,1,0,0,0,0|2,0,1]=4 731 B15R1.83 CC#CCOCC(C)Cc1ccccc1 7a_100012125295_100000748600 [0,1,0,0,0,0|2,0,1]=4 732 B15R1.83 CC(=NNCCC#N)C[n+]1ccccc1 4a_100000229987_100000034229 [0,1,0,0,0,0|1,0,1]=3 733 B15R1.83 CC(CNCCC#N)Oc1ccccc1 2230a_100000755676_100011215226 [0,1,0,0,0,0|1,0,0]=2 734 B15R1.83 CC(CNCCC#N)Oc1cccnc1 2230a_200011219418_100011215226 [0,1,0,0,0,0|2,0,0]=3 735 B15R1.83 CC(CNCCCF)Oc1ccccc1 2230a_100000755676_100011934791 [0,1,0,0,0,0|2,0,1]=4 736 B15R1.83 CC(CNCCCF)Oc1ccccc1 34a_100000755676_100011934791 [0,1,0,0,0,0|2,0,1]=4 737 B15R1.83 CC(CNCCCO)Oc1ccccc1 2230a_100000755676_100000230001 [0,1,0,0,0,0|2,0,1]=4 738 B15R1.83 CC(CNCCCO)Oc1ccccc1 34a_100000755676_100000230001 [0,1,0,0,0,0|2,0,1]=4 739 B15R1.83 CC(COCCC#N)Cc1ccccc1 7a_100012125295_100000184422 [0,1,0,0,0,0|1,0,0]=2 740 B15R1.83 CC(COCCC#N)Oc1ccccc1 7a_200000036796_100000184422 [0,1,0,0,0,0|2,0,0]=3 741 B15R1.83 CC(COCCCF)Cc1ccccc1 34a_100012125295_100011934791 [0,1,0,0,0,0|2,0,1]=4 742 B15R1.83 CC(COCCCF)Cc1ccccc1 7a_100012125295_100011934791 [0,1,0,0,0,0|2,0,1]=4 743 B15R1.83 CC(COCCCO)Cc1ccccc1 34a_100012125295_100000230001 [0,1,0,0,0,0|2,0,1]=4 744 B15R1.83 CC(COCCCO)Cc1ccccc1 7a_100012125295_100011215043 [0,1,0,0,0,0|2,0,1]=4 745 B15R1.83 CC(C[n+]1ccccc1)NCCCCO 270004a_100000750430_100000034229 [0,1,0,0,0,0|2,0,1]=4 746 B15R1.83 CC(Cc1ccccc1)NCCCCO 34a_100000750430_200011218536 [0,1,0,0,0,0|1,0,1]=3 747 B15R1.83 CC(Cc1ccccc1)OCC#CCCl 34a_200000047223_200011218536 [0,1,0,0,0,0|2,0,1]=4 748 B15R1.83 CC(Cc1ccccc1)OCC#CCO 34a_100000748627_200000047223 [0,1,0,0,0,0|2,0,1]=4 749 B15R1.83 CC(Cc1ccccc1)OCC#CCO 7a_100000748627_200000047223 [0,1,0,0,0,0|2,0,1]=4 750 B15R1.83 CC(Cc1ccccc1)OCCCC#N 7a_100000748627_100000687738 [0,1,0,0,0,0|1,0,0]=2 751 B15R1.83 CC(Cc1ccccc1)OCCCC=O 7a_100000748627_200011292268 [0,1,0,0,0,0|2,0,1]=4 752 B15R1.83 CC(Cc1ccccc1)OCCCCBr 34a_100011216708_200011218536 [0,1,0,0,0,0|2,0,1]=4 753 B15R1.83 CC(Cc1ccccc1)OCCCCCl 34a_100000210776_200011218536 [0,1,0,0,0,0|2,0,1]=4 754 B15R1.83 CC(Cc1ccccc1)OCCCCCl 7a_100000210776_200011218536 [0,1,0,0,0,0|2,0,1]=4 755 B15R1.83 CC(Cc1ccccc1)OCCCCF 34a_100000748627_100000729493 [0,1,0,0,0,0|2,0,1]=4 756 B15R1.83 CC(Cc1ccccc1)OCCCCF 34a_100011995726_200011218536 [0,1,0,0,0,0|2,0,1]=4 757 B15R1.83 CC(Cc1ccccc1)OCCCCF 7a_100000748627_100000729493 [0,1,0,0,0,0|2,0,1]=4 758 B15R1.83 CC(Cc1ccccc1)OCCCCF 7a_100011995726_200011218536 [0,1,0,0,0,0|2,0,1]=4 759 B15R1.83 CC(Cc1ccccc1)OCCCCI 34a_200012148704_200011218536 [0,1,0,0,0,0|2,0,1]=4 760 B15R1.83 CC(Cc1ccccc1)OCCCCN 34a_100000750430_200011218536 [0,1,0,0,0,0|1,0,2]=4 761 B15R1.83 CC(Cc1ccccc1)OCCCCO 34a_100000748627_100011216708 [0,1,0,0,0,0|2,0,1]=4 762 B15R1.83 CC(Cc1ccccc1)OCCCCO 7a_100000748627_100000210776 [0,1,0,0,0,0|2,0,1]=4 763 B15R1.83 CC(Cc1ccccc1)SCC#CCO 62a_200000047223_200011218536 [0,1,0,0,0,0|2,0,1]=4 764 B15R1.83 CC(Cc1ccccc1)SCC#CCO 62a_200011218536_200000047223 [0,1,0,0,0,0|2,0,1]=4 765 B15R1.83 CC(Cc1ccccc1)SCCCC#N 62a_100000687738_200011218536 [0,1,0,0,0,0|1,0,0]=2 766 B15R1.83 CC(Cc1ccccc1)SCCCC#N 62a_200011218536_100000687738 [0,1,0,0,0,0|1,0,0]=2 767 B15R1.83 CC(Cc1ccccc1)SCCCC=O 62a_200011218536_200011292268 [0,1,0,0,0,0|2,0,1]=4 768 B15R1.83 CC(Cc1ccccc1)SCCCC=O 62a_200011292268_200011218536 [0,1,0,0,0,0|2,0,1]=4 769 B15R1.83 CC(Cc1ccccc1)SCCCCF 62a_100000729493_200011218536 [0,1,0,0,0,0|2,0,1]=4 770 B15R1.83 CC(Cc1ccccc1)SCCCCF 62a_200011218536_100000729493 [0,1,0,0,0,0|2,0,1]=4 771 B15R1.83 CC(Cc1ccccc1)SCCCCO 62a_100000210776_200011218536 [0,1,0,0,0,0|2,0,1]=4 772 B15R1.83 CC(Cc1ccccc1)SCCCCO 62a_200011218536_100000210776 [0,1,0,0,0,0|2,0,1]=4 773 B15R1.83 CC(Cc1ccccc1)SCCSC#N 62a_100000034367_200011218536 [0,1,0,0,0,0|1,0,0]=2 774 B15R1.83 CC(Cc1ccccc1)SCCSC#N 62a_200011218536_100000034367 [0,1,0,0,0,0|1,0,0]=2 775 B15R1.83 CC(Cc1ccccn1)NCC#CCO 2230a_100000238496_200000047223 [0,1,0,0,0,0|2,0,1]=4 776 B15R1.83 CC(Cc1ccccn1)NCCCC#N 2230a_100000238496_100000687738 [0,1,0,0,0,0|1,0,0]=2 777 B15R1.83 CC(Cc1ccccn1)NCCCC=O 2230a_100000238496_200011292268 [0,1,0,0,0,0|2,0,1]=4 778 B15R1.83 CC(Cc1ccccn1)NCCCCF 2230a_100000238496_100000729493 [0,1,0,0,0,0|2,0,1]=4 779 B15R1.83 CC(Cc1ccccn1)NCCCCO 2230a_100000238496_100000210776 [0,1,0,0,0,0|2,0,1]=4 780 B15R1.83 CC(Cc1cccnc1)NCC#CCO 2230a_100011207255_200000047223 [0,1,0,0,0,0|2,0,1]=4 781 B15R1.83 CC(Cc1cccnc1)NCCCC#N 2230a_100011207255_100000687738 [0,1,0,0,0,0|1,0,0]=2 782 B15R1.83 CC(Cc1cccnc1)NCCCC=O 2230a_100011207255_200011292268 [0,1,0,0,0,0|2,0,1]=4 783 B15R1.83 CC(Cc1cccnc1)NCCCCF 2230a_100011207255_100000729493 [0,1,0,0,0,0|2,0,1]=4 784 B15R1.83 CC(Cc1cccnc1)NCCCCO 2230a_100011207255_100000210776 [0,1,0,0,0,0|2,0,1]=4 785 B15R1.83 CC(Cc1cccnc1)NCCCCO 270004a_100000750430_100015187140 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.83 CC(Cc1ccncc1)NCCCCO 270004a_100000750430_100000238508 [0,1,0,0,0,0|2,0,1]=4 787 B15R1.83 CC(Cc1cnccn1)NCCCC#N 2230a_100011277835_100000687738 [0,1,0,0,0,0|2,0,0]=3 788 B15R1.83 CCC#CCNC(C)Cc1ccccn1 2230a_100000238496_100009813939 [0,1,0,0,0,0|2,0,1]=4 789 B15R1.83 CCC#CCNC(C)Cc1cccnc1 2230a_100011207255_100009813939 [0,1,0,0,0,0|2,0,1]=4 790 B15R1.83 CCC#CCOC(C)Cc1ccccc1 34a_100000032950_200011218536 [0,1,0,0,0,0|2,0,1]=4 791 B15R1.83 CCC#CCOC(C)Cc1ccccc1 34a_100000748627_100009813939 [0,1,0,0,0,0|2,0,1]=4 792 B15R1.83 CCC#CCOC(C)Cc1ccccc1 7a_100000748627_100009813939 [0,1,0,0,0,0|2,0,1]=4 793 B15R1.83 CCC#CCSC(C)Cc1ccccc1 62a_100009813939_200011218536 [0,1,0,0,0,0|2,0,1]=4 794 B15R1.83 CCC#CCSC(C)Cc1ccccc1 62a_200011218536_100009813939 [0,1,0,0,0,0|2,0,1]=4 795 B15R1.83 CCCCCNC(C)C[n+]1ccccc1 270004a_100000209983_100000034229 [0,1,0,0,0,0|2,0,1]=4 796 B15R1.83 CCCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210326 [0,1,0,0,0,0|2,0,1]=4 797 B15R1.83 CCCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210326 [0,1,0,0,0,0|2,0,1]=4 798 B15R1.83 CCCCCNC(C)Cc1cccnc1 270004a_100000209983_100015187140 [0,1,0,0,0,0|2,0,1]=4 799 B15R1.83 CCCCCNC(C)Cc1ccncc1 270004a_100000209983_100000238508 [0,1,0,0,0,0|2,0,1]=4 800 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000210253_200011218536 [0,1,0,0,0,0|2,0,1]=4 801 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000748627_100000718602 [0,1,0,0,0,0|2,0,1]=4 802 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000210253_200011218536 [0,1,0,0,0,0|2,0,1]=4 803 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210326 [0,1,0,0,0,0|2,0,1]=4 804 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_100000210326_200011218536 [0,1,0,0,0,0|2,0,1]=4 805 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210326 [0,1,0,0,0,0|2,0,1]=4 806 B15R1.83 CCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210211 [0,1,0,0,0,0|2,0,1]=4 807 B15R1.83 CCCCNCC(C)Oc1ccccc1 34a_100000755676_100000210210 [0,1,0,0,0,0|2,0,1]=4 808 B15R1.83 CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210211 [0,1,0,0,0,0|2,0,1]=4 809 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 2230a_100000102301_100000729385 [0,1,0,0,0,0|2,0,1]=4 810 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 7a_106832991798_100000729385 [0,1,0,0,0,0|2,0,1]=4 811 B15R1.83 CCCCOCC(C)Cc1ccccc1 34a_100012125295_100000210210 [0,1,0,0,0,0|2,0,1]=4 812 B15R1.83 CCCCOCC(C)Cc1ccccc1 7a_100012125295_100000210211 [0,1,0,0,0,0|2,0,1]=4 813 B15R1.83 CCOCCNC(C)C[n+]1ccccc1 270004a_102516460346_100000034229 [0,1,0,0,0,0|2,0,1]=4 814 B15R1.83 CCOCCNC(C)Cc1ccccc1 34a_102516460346_200011218536 [0,1,0,0,0,0|1,0,1]=3 815 B15R1.83 CCOCCNC(C)Cc1ccccn1 2230a_100000238496_100011215890 [0,1,0,0,0,0|2,0,1]=4 816 B15R1.83 CCOCCNC(C)Cc1cccnc1 2230a_100011207255_100011215890 [0,1,0,0,0,0|2,0,1]=4 817 B15R1.83 CCOCCNC(C)Cc1cccnc1 270004a_102516460346_100015187140 [0,1,0,0,0,0|2,0,1]=4 818 B15R1.83 CCOCCNC(C)Cc1ccncc1 270004a_102516460346_100000238508 [0,1,0,0,0,0|2,0,1]=4 819 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000210136_200011218536 [0,1,0,0,0,0|2,0,1]=4 820 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000748627_100000210147 [0,1,0,0,0,0|2,0,1]=4 821 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000210136_200011218536 [0,1,0,0,0,0|2,0,1]=4 822 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000748627_100011215890 [0,1,0,0,0,0|2,0,1]=4 823 B15R1.83 CCOCCSC(C)Cc1ccccc1 62a_100000210147_200011218536 [0,1,0,0,0,0|2,0,1]=4 824 B15R1.83 CCOCCSC(C)Cc1ccccc1 62a_200011218536_100011215890 [0,1,0,0,0,0|2,0,1]=4 825 B15R1.83 CCSCCNC(C)C[n+]1ccccc1 270004a_100000106463_100000034229 [0,1,0,0,0,0|2,0,1]=4 826 B15R1.83 CCSCCNC(C)Cc1ccccn1 2230a_100000238496_100000757381 [0,1,0,0,0,0|2,0,1]=4 827 B15R1.83 CCSCCNC(C)Cc1cccnc1 2230a_100011207255_100000757381 [0,1,0,0,0,0|2,0,1]=4 828 B15R1.83 CCSCCNC(C)Cc1cccnc1 270004a_100000106463_100015187140 [0,1,0,0,0,0|2,0,1]=4 829 B15R1.83 CCSCCNC(C)Cc1ccncc1 270004a_100000106463_100000238508 [0,1,0,0,0,0|2,0,1]=4 830 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000212035_200011218536 [0,1,0,0,0,0|2,0,1]=4 831 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000748627_100000757381 [0,1,0,0,0,0|2,0,1]=4 832 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000212035_200011218536 [0,1,0,0,0,0|2,0,1]=4 833 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000748627_100000757381 [0,1,0,0,0,0|2,0,1]=4 834 B15R1.83 CCSCCSC(C)Cc1ccccc1 62a_100000757381_200011218536 [0,1,0,0,0,0|2,0,1]=4 835 B15R1.83 CCSCCSC(C)Cc1ccccc1 62a_200011218536_100000757381 [0,1,0,0,0,0|2,0,1]=4 836 B15R1.83 CN(CCCCC#N)Cc1ccccc1 2230a_100000186898_100000211819 [0,1,0,0,0,0|2,0,0]=3 837 B15R1.83 CN(CCCCC#N)Cc1ccccc1 269982a_100000186898_100011219923 [0,1,0,0,0,0|2,0,0]=3 838 B15R1.83 CN(CCCCC#N)Cc1ccccn1 2230a_100000207498_100000211819 [0,1,0,0,0,0|3,0,0]=4 839 B15R1.83 CN(CCCCC#N)Cc1ccccn1 269982a_100000207498_100011219923 [0,1,0,0,0,0|3,0,0]=4 840 B15R1.83 CN(CCCCC#N)Cc1cccnc1 2230a_100000184577_100000211819 [0,1,0,0,0,0|3,0,0]=4 841 B15R1.83 CN(CCCCC#N)Cc1cccnc1 269982a_100000184577_100011219923 [0,1,0,0,0,0|3,0,0]=4 842 B15R1.83 CN(CCCCC#N)Cc1ccncc1 2230a_100000187231_100000211819 [0,1,0,0,0,0|3,0,0]=4 843 B15R1.83 CN(CCCCC#N)Cc1ccncc1 269982a_100000187231_100011219923 [0,1,0,0,0,0|3,0,0]=4 844 B15R1.83 CN(CCOCC#N)Cc1ccccc1 2230a_100000186898_200000047693 [0,1,0,0,0,0|2,0,0]=3 845 B15R1.83 CN(CCOCC#N)Cc1ccccn1 2230a_100000207498_200000047693 [0,1,0,0,0,0|3,0,0]=4 846 B15R1.83 CN(CCOCC#N)Cc1cccnc1 2230a_100000184577_200000047693 [0,1,0,0,0,0|3,0,0]=4 847 B15R1.83 CN(CCOCC#N)Cc1ccncc1 2230a_100000187231_200000047693 [0,1,0,0,0,0|3,0,0]=4 848 B15R1.83 CN(CCSCC#N)Cc1ccccc1 62a_100011215382_100015196923 [0,1,0,0,0,0|2,0,0]=3 849 B15R1.83 CNCCCOC(C)Cc1ccccc1 34a_100000213112_200011218536 [0,1,0,0,0,0|1,0,2]=4 850 B15R1.83 COCCCNC(C)C[n+]1ccccc1 270004a_100150723488_100000034229 [0,1,0,0,0,0|2,0,1]=4 851 B15R1.83 COCCCNC(C)Cc1ccccc1 34a_100150723488_200011218536 [0,1,0,0,0,0|1,0,1]=3 852 B15R1.83 COCCCNC(C)Cc1ccccn1 2230a_100000238496_100000740836 [0,1,0,0,0,0|2,0,1]=4 853 B15R1.83 COCCCNC(C)Cc1cccnc1 2230a_100011207255_100000740836 [0,1,0,0,0,0|2,0,1]=4 854 B15R1.83 COCCCNC(C)Cc1cccnc1 270004a_100150723488_100015187140 [0,1,0,0,0,0|2,0,1]=4 855 B15R1.83 COCCCNC(C)Cc1ccncc1 270004a_100150723488_100000238508 [0,1,0,0,0,0|2,0,1]=4 856 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000740835_200011218536 [0,1,0,0,0,0|2,0,1]=4 857 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000748627_100000740836 [0,1,0,0,0,0|2,0,1]=4 858 B15R1.83 COCCCOC(C)Cc1ccccc1 7a_100000748627_100000740836 [0,1,0,0,0,0|2,0,1]=4 859 B15R1.83 COCCCSC(C)Cc1ccccc1 62a_100000709357_200011218536 [0,1,0,0,0,0|2,0,1]=4 860 B15R1.83 COCCCSC(C)Cc1ccccc1 62a_200011218536_100000709357 [0,1,0,0,0,0|2,0,1]=4 861 B15R1.83 COCCNCC(C)Oc1ccccc1 2230a_100000755676_100011201679 [0,1,0,0,0,0|3,0,0]=4 862 B15R1.83 COCCNCC(C)Oc1ccccc1 34a_100000755676_100011201679 [0,1,0,0,0,0|3,0,0]=4 863 B15R1.83 COCCNCC(O)Cc1ccccc1 2230a_100000752270_100011201679 [0,1,0,0,0,0|3,0,0]=4 864 B15R1.83 COCCNC[C@@H](O)Cc1ccccc1 2230a_100000209980_100000729385 [0,1,0,0,0,0|3,0,0]=4 865 B15R1.83 COCCOCC(C)Cc1ccccc1 34a_100012125295_100011201679 [0,1,0,0,0,0|3,0,0]=4 866 B15R1.83 COCCOCC(C)Cc1ccccc1 7a_100012125295_100000233755 [0,1,0,0,0,0|3,0,0]=4 867 B15R1.83 CSCCCNC(C)C[n+]1ccccc1 270004a_100000749238_100000034229 [0,1,0,0,0,0|2,0,1]=4 868 B15R1.83 CSCCCNC(C)Cc1cccnc1 270004a_100000749238_100015187140 [0,1,0,0,0,0|2,0,1]=4 869 B15R1.83 CSCCCNC(C)Cc1ccncc1 270004a_100000749238_100000238508 [0,1,0,0,0,0|2,0,1]=4 870 B15R1.83 CSCCCOC(C)Cc1ccccc1 34a_100000690336_200011218536 [0,1,0,0,0,0|2,0,1]=4 871 B15R1.83 CSCCCOC(C)Cc1ccccc1 7a_100000690336_200011218536 [0,1,0,0,0,0|2,0,1]=4 872 B15R1.83 CSCCNCC(C)Oc1ccccc1 2230a_100000755676_100000751147 [0,1,0,0,0,0|3,0,0]=4 873 B15R1.83 CSCCNCC(C)Oc1ccccc1 34a_100000755676_100000212216 [0,1,0,0,0,0|3,0,0]=4 874 B15R1.83 CSCCNCC(O)Cc1ccccc1 2230a_100000752270_100000751147 [0,1,0,0,0,0|3,0,0]=4 875 B15R1.83 CSCCNC[C@@H](O)Cc1ccccc1 2230a_100020590264_100000729385 [0,1,0,0,0,0|3,0,0]=4 876 B15R1.83 CSCCOCC(C)Cc1ccccc1 34a_100012125295_100000212216 [0,1,0,0,0,0|3,0,0]=4 877 B15R1.83 CSCCOCC(C)Cc1ccccc1 7a_100012125295_100000212216 [0,1,0,0,0,0|3,0,0]=4 878 B15R1.83 N#CCCNCC(O)Cc1ccccc1 2230a_100000752270_100011215226 [0,1,0,0,0,0|1,0,0]=2 879 B15R1.83 N#CCCNNC(=O)C[n+]1ccccc1 22a_100000229987_200000086051 [0,1,0,0,0,0|2,0,1]=4 880 B15R1.83 N#CCCNNC(=O)Cc1ccccn1 22a_100000229987_100000233486 [0,1,0,0,0,0|2,0,1]=4 881 B15R1.83 N#CCCNNC(=O)Cc1cccnc1 22a_100000229987_100000737805 [0,1,0,0,0,0|2,0,1]=4 882 B15R1.83 N#CCCNNC(=O)Cc1ccncc1 22a_100000229987_100011201483 [0,1,0,0,0,0|2,0,1]=4 883 B15R1.83 N#CCCSCC(=O)Cc1ccccc1 62a_100000233483_100011215226 [0,1,0,0,0,0|2,0,1]=4 884 B15R1.83 N#CCCSCC(=O)Cc1ccccc1 62a_100011215226_100000233483 [0,1,0,0,0,0|2,0,1]=4 885 B15R1.83 N#CCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100011215226 [0,1,0,0,0,0|2,0,0]=3 886 B15R1.83 N#CCCSC[C@@H](O)Cc1ccccc1 62a_100011215226_100000729385 [0,1,0,0,0,0|2,0,0]=3 887 B15R1.83 N#CSCSC[C@@H](O)Cc1ccccc1 62a_100000211825_100000729385 [0,1,0,0,0,0|3,0,0]=4 888 B15R1.83 N#CSCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000211825 [0,1,0,0,0,0|3,0,0]=4 889 B15R1.83 OC(CNCCCF)Cc1ccccc1 2230a_100000752270_100011934791 [0,1,0,0,0,0|2,0,1]=4 890 B15R1.83 OCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000230001 [0,1,0,0,0,0|2,0,1]=4 891 B15R1.83 O[C@H](CNCCCF)Cc1ccccc1 2230a_100015189416_100000729385 [0,1,0,0,0,0|2,0,1]=4 892 B15R1.83 O[C@H](CNCCCF)Cc1ccccc1 34a_100015189416_100000729385 [0,1,0,0,0,0|2,0,1]=4 893 B15R1.93 C#CCCCN(C)C(C)c1ccccc1 2230a_100000195388_100000731252 [0,1,0,0,0,0|3,0,0]=4 894 B15R1.93 C#CCCCN(C)C(C)c1ccccc1 269982a_100000195388_100011215417 [0,1,0,0,0,0|3,0,0]=4 895 B15R1.93 C#CCCNC(=O)C(F)c1ccccc1 11a_100000755551_100000698975 [0,1,0,0,0,0|2,0,1]=4 896 B15R1.93 C#CCCNC(=O)C(F)c1ccccc1 1626a_100000755551_100000698975 [0,1,0,0,0,0|2,0,1]=4 897 B15R1.93 C#CCCNC(=O)C(F)c1ccccc1 240690a_100000755551_100000698975 [0,1,0,0,0,0|2,0,1]=4 898 B15R1.93 C#CCCNC(=O)C(F)c1ccccc1 527a_100000755551_100000698975 [0,1,0,0,0,0|2,0,1]=4 899 B15R1.93 C#CCCNC(=O)[C@@H](C)c1ccccc1 11a_100000755551_100000751047 [0,1,0,0,0,0|2,0,1]=4 900 B15R1.93 C#CCCNC(=O)[C@@H](C)c1ccccc1 1626a_100000755551_100000751047 [0,1,0,0,0,0|2,0,1]=4 901 B15R1.93 C#CCCNC(=O)[C@@H](C)c1ccccc1 240690a_100000755551_100000751047 [0,1,0,0,0,0|2,0,1]=4 902 B15R1.93 C#CCCNC(=O)[C@@H](C)c1ccccc1 527a_100000755551_100000751047 [0,1,0,0,0,0|2,0,1]=4 903 B15R1.93 C#CCCNC(=O)[C@H](O)c1ccccc1 240690a_100000755551_100000684486 [0,1,0,0,0,0|2,0,1]=4 904 B15R1.93 C#CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000688953 [0,1,0,0,0,0|2,0,0]=3 905 B15R1.93 C#CCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000688953 [0,1,0,0,0,0|2,0,1]=4 906 B15R1.93 C#CCCSC(C)C(=O)c1ccccc1 62a_100000688953_100000239700 [0,1,0,0,0,0|2,0,1]=4 907 B15R1.93 C=C(C(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000065200 [0,1,0,0,0,0|1,0,2]=4 908 B15R1.93 C=CCCNC(C)C(=O)c1ccccc1 2230a_100015191253_100000239700 [0,1,0,0,0,0|1,0,2]=4 909 B15R1.93 C=CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000754431 [0,1,0,0,0,0|2,0,1]=4 910 B15R1.93 CC#CCNC(C)C(=O)c1ccccc1 2230a_100000685387_100000239700 [0,1,0,0,0,0|1,0,2]=4 911 B15R1.93 CC#CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000748600 [0,1,0,0,0,0|2,0,1]=4 912 B15R1.93 CC(C(=O)CCCC#N)c1ccccc1 1458a_100000075515_100000230085 [0,1,0,0,0,0|2,0,1]=4 913 B15R1.93 CC(C(=O)NCCC#N)c1ccccn1 11a_100000720768_100000722050 [0,1,0,0,0,0|2,0,1]=4 914 B15R1.93 CC(C(=O)NCCC#N)c1ccccn1 1626a_100000720768_100000722050 [0,1,0,0,0,0|2,0,1]=4 915 B15R1.93 CC(C(=O)NCCC#N)c1ccccn1 240690a_100000720768_100000722050 [0,1,0,0,0,0|2,0,1]=4 916 B15R1.93 CC(C(=O)NCCC#N)c1ccccn1 527a_100000720768_100000722050 [0,1,0,0,0,0|2,0,1]=4 917 B15R1.93 CC(CNCC#N)N(C)c1ccccc1 2230a_100000245588_100011215382 [0,1,0,0,0,0|3,0,0]=4 918 B15R1.93 CC(NCCCF)C(=O)c1ccccc1 2230a_100015189416_100000239700 [0,1,0,0,0,0|1,0,2]=4 919 B15R1.93 CC(SCCC#N)C(=O)c1ccccc1 62a_100000239700_100011215226 [0,1,0,0,0,0|1,0,1]=3 920 B15R1.93 CC(SCCC#N)C(=O)c1ccccc1 62a_100011215226_100000239700 [0,1,0,0,0,0|1,0,1]=3 921 B15R1.93 CC(SCSC#N)C(=O)c1ccccc1 62a_100000211825_100000239700 [0,1,0,0,0,0|2,0,1]=4 922 B15R1.93 CC(SCSC#N)C(=O)c1ccccc1 62a_100000239700_100000211825 [0,1,0,0,0,0|2,0,1]=4 923 B15R1.93 CC(c1ccccc1)N(C)CCCC#N 2230a_100000195388_100000687738 [0,1,0,0,0,0|2,0,0]=3 924 B15R1.93 CC(c1ccccc1)N(C)CCCC#N 269982a_100000195388_100000687738 [0,1,0,0,0,0|2,0,0]=3 925 B15R1.93 CC(c1ccccc1)N(C)CCSC#N 269982a_100000195388_100000034367 [0,1,0,0,0,0|3,0,0]=4 926 B15R1.93 CC(c1ccccn1)N(C)CCCC#N 2230a_100000231138_100000687738 [0,1,0,0,0,0|3,0,0]=4 927 B15R1.93 CC(c1ccccn1)N(C)CCCC#N 269982a_100000231138_100000687738 [0,1,0,0,0,0|3,0,0]=4 928 B15R1.93 CC(c1cccnc1)N(C)CCCC#N 2230a_100000232774_100000687738 [0,1,0,0,0,0|3,0,0]=4 929 B15R1.93 CC(c1cccnc1)N(C)CCCC#N 269982a_100000232774_100000687738 [0,1,0,0,0,0|3,0,0]=4 930 B15R1.93 CC(c1ccncc1)N(C)CCCC#N 2230a_100000231139_100000687738 [0,1,0,0,0,0|3,0,0]=4 931 B15R1.93 CC(c1ccncc1)N(C)CCCC#N 269982a_100000231139_100000687738 [0,1,0,0,0,0|3,0,0]=4 932 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 2230a_100000102301_100000239700 [0,1,0,0,0,0|1,0,2]=4 933 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 7a_106832991798_100000239700 [0,1,0,0,0,0|1,0,2]=4 934 B15R1.93 CCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210210 [0,1,0,0,0,0|2,0,1]=4 935 B15R1.93 CN(C(=O)NCCC#N)c1ccccc1 512a_100000720768_100000210012 [0,1,0,0,0,0|2,0,1]=4 936 B15R1.93 COCCNC(C)C(=O)c1ccccc1 2230a_100000209980_100000239700 [0,1,0,0,0,0|2,0,1]=4 937 B15R1.93 COCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011201679 [0,1,0,0,0,0|3,0,0]=4 938 B15R1.93 CSCCNC(C)C(=O)c1ccccc1 2230a_100020590264_100000239700 [0,1,0,0,0,0|2,0,1]=4 939 B15R1.93 CSCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000212216 [0,1,0,0,0,0|3,0,0]=4 940 B15R1.93 C[C@H](C(=O)CCCC#N)c1ccccc1 1458a_100000751047_100000211468 [0,1,0,0,0,0|2,0,1]=4 941 B15R1.93 C[C@H](C(=O)NCCC#N)c1ccccc1 11a_100000720768_100000751047 [0,1,0,0,0,0|1,0,1]=3 942 B15R1.93 C[C@H](C(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000751047 [0,1,0,0,0,0|1,0,1]=3 943 B15R1.93 C[C@H](C(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000751047 [0,1,0,0,0,0|1,0,1]=3 944 B15R1.93 C[C@H](C(=O)NCCC#N)c1ccccc1 527a_100000720768_100000751047 [0,1,0,0,0,0|1,0,1]=3 945 B15R1.93 C[C@H](OCCCF)[C@@H](N)c1ccccc1 34a_100134616770_100011934791 [0,1,0,0,0,0|2,0,1]=4 946 B15R1.93 C[C@H](OCCCO)[C@@H](N)c1ccccc1 34a_100134616770_100000230001 [0,1,0,0,0,0|2,0,1]=4 947 B15R1.93 N#CCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000211468 [0,1,0,0,0,0|2,0,1]=4 948 B15R1.93 N#CCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000211468 [0,1,0,0,0,0|2,0,1]=4 949 B15R1.93 N#CCCNC(=O)C(F)c1ccccc1 11a_100000720768_100000698975 [0,1,0,0,0,0|1,0,1]=3 950 B15R1.93 N#CCCNC(=O)C(F)c1ccccc1 1626a_100000720768_100000698975 [0,1,0,0,0,0|1,0,1]=3 951 B15R1.93 N#CCCNC(=O)C(F)c1ccccc1 240690a_100000720768_100000698975 [0,1,0,0,0,0|1,0,1]=3 952 B15R1.93 N#CCCNC(=O)C(F)c1ccccc1 527a_100000720768_100000698975 [0,1,0,0,0,0|1,0,1]=3 953 B15R1.93 N#CCCNC(=O)[C@H](O)c1ccccc1 240690a_100000720768_100000684486 [0,1,0,0,0,0|1,0,1]=3 954 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000731252 [0,1,0,0,0,0|3,0,0]=4 955 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100011215417 [0,1,0,0,0,0|3,0,0]=4 956 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000731252 [0,1,0,0,0,0|3,0,0]=4 957 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100011215417 [0,1,0,0,0,0|3,0,0]=4 958 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000695029 [0,1,0,0,0,0|3,0,0]=4 959 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000731252 [0,1,0,0,0,0|3,0,0]=4 960 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100011215417 [0,1,0,0,0,0|3,0,0]=4 961 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000695029 [0,1,0,0,0,0|3,0,0]=4 962 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000731252 [0,1,0,0,0,0|3,0,0]=4 963 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100011215417 [0,1,0,0,0,0|3,0,0]=4 964 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000695029 [0,1,0,0,0,0|3,0,0]=4 965 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000731252 [0,1,0,0,0,0|3,0,0]=4 966 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100011215417 [0,1,0,0,0,0|3,0,0]=4 967 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Br 11a_100000755551_100000198978 [0,1,0,0,0,0|2,0,1]=4 968 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Br 240690a_100000755551_100000198978 [0,1,0,0,0,0|2,0,1]=4 969 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Br 527a_100000755551_100000198978 [0,1,0,0,0,0|2,0,1]=4 970 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)C 11a_100000755551_100000212244 [0,1,0,0,0,0|2,0,1]=4 971 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)C 240690a_100000755551_100000212244 [0,1,0,0,0,0|2,0,1]=4 972 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)C 527a_100000755551_100000212244 [0,1,0,0,0,0|2,0,1]=4 973 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Cl 11a_100000755551_100000211027 [0,1,0,0,0,0|2,0,1]=4 974 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Cl 240690a_100000755551_100000211027 [0,1,0,0,0,0|2,0,1]=4 975 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Cl 527a_100000755551_100000211027 [0,1,0,0,0,0|2,0,1]=4 976 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)F 11a_100000755551_100000210951 [0,1,0,0,0,0|2,0,1]=4 977 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)F 1626a_100000755551_100000210951 [0,1,0,0,0,0|2,0,1]=4 978 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)F 240690a_100000755551_100000210951 [0,1,0,0,0,0|2,0,1]=4 979 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)F 527a_100000755551_100000210951 [0,1,0,0,0,0|2,0,1]=4 980 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)I 11a_100000755551_100000688869 [0,1,0,0,0,0|2,0,1]=4 981 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)I 1626a_100000755551_100000688869 [0,1,0,0,0,0|2,0,1]=4 982 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)I 240690a_100000755551_100000688869 [0,1,0,0,0,0|2,0,1]=4 983 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)I 527a_100000755551_100000688869 [0,1,0,0,0,0|2,0,1]=4 984 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)O 1626a_100000755551_100000198540 [0,1,0,0,0,0|2,0,1]=4 985 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)O 240690a_100000755551_100000198540 [0,1,0,0,0,0|2,0,1]=4 986 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)O 527a_100000755551_100000198540 [0,1,0,0,0,0|2,0,1]=4 987 B15R1.128 C#CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000688953 [0,1,0,0,0,0|1,0,0]=2 988 B15R1.128 C#CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000688953 [0,1,0,0,0,0|1,0,0]=2 989 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000688953 [0,1,0,0,0,0|2,0,0]=3 990 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000688953 [0,1,0,0,0,0|2,0,0]=3 991 B15R1.128 C/C=C/CNC(C)Cc1ccc(cc1)O 34a_100102634573_100102629194 [0,1,0,0,0,0|1,0,2]=4 992 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)Br 270004a_100015191253_100000691760 [0,1,0,0,0,0|1,0,1]=3 993 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)C 270004a_100015191253_100000751045 [0,1,0,0,0,0|1,0,1]=3 994 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)Cl 270004a_100015191253_100000747806 [0,1,0,0,0,0|1,0,1]=3 995 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)F 270004a_100015191253_100000745281 [0,1,0,0,0,0|1,0,1]=3 996 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000754431 [0,1,0,0,0,0|1,0,1]=3 997 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 270004a_100015191253_100011218180 [0,1,0,0,0,0|1,0,1]=3 998 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000754431 [0,1,0,0,0,0|1,0,1]=3 999 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000754431 [0,1,0,0,0,0|2,0,1]=4 1000 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000754431 [0,1,0,0,0,0|2,0,1]=4 1001 B15R1.128 CC#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000748600 [0,1,0,0,0,0|1,0,1]=3 1002 B15R1.128 CC#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000748600 [0,1,0,0,0,0|1,0,1]=3 1003 B15R1.128 CC#CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000748600 [0,1,0,0,0,0|2,0,1]=4 1004 B15R1.128 CC#CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000748600 [0,1,0,0,0,0|2,0,1]=4 1005 B15R1.128 CC(CNCC#N)Oc1ccc(cc1)F 2230a_200020586543_100011215382 [0,1,0,0,0,0|3,0,0]=4 1006 B15R1.128 CC(CSCC#N)Oc1ccc(cc1)F 62a_100010228477_100011215382 [0,1,0,0,0,0|3,0,0]=4 1007 B15R1.128 CC(CSCC#N)Oc1ccc(cc1)F 62a_100011215382_100010228477 [0,1,0,0,0,0|3,0,0]=4 1008 B15R1.128 CC(Cc1ccc(cc1)Br)NCCC#N 270004a_100000720768_100000691760 [0,1,0,0,0,0|0,0,0]=1 1009 B15R1.128 CC(Cc1ccc(cc1)Br)NCCCF 270004a_100015189416_100000691760 [0,1,0,0,0,0|1,0,1]=3 1010 B15R1.128 CC(Cc1ccc(cc1)Br)NCCCO 270004a_100000182051_100000691760 [0,1,0,0,0,0|1,0,1]=3 1011 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_100000747806 [0,1,0,0,0,0|0,0,0]=1 1012 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCCF 270004a_100015189416_100000747806 [0,1,0,0,0,0|1,0,1]=3 1013 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCCO 270004a_100000182051_100000747806 [0,1,0,0,0,0|1,0,1]=3 1014 B15R1.128 CC(Cc1ccc(cc1)F)NCCC#N 270004a_100000720768_100000745281 [0,1,0,0,0,0|0,0,0]=1 1015 B15R1.128 CC(Cc1ccc(cc1)F)NCCCF 270004a_100015189416_100000745281 [0,1,0,0,0,0|1,0,1]=3 1016 B15R1.128 CC(Cc1ccc(cc1)F)NCCCO 270004a_100000182051_100000745281 [0,1,0,0,0,0|1,0,1]=3 1017 B15R1.128 CC(Cc1ccc(cc1)F)OCCC#N 7a_100011351027_100000184422 [0,1,0,0,0,0|1,0,0]=2 1018 B15R1.128 CC(Cc1ccc(cc1)F)OCCCF 34a_100011351027_100011934791 [0,1,0,0,0,0|2,0,1]=4 1019 B15R1.128 CC(Cc1ccc(cc1)F)OCCCF 7a_100011351027_100011934791 [0,1,0,0,0,0|2,0,1]=4 1020 B15R1.128 CC(Cc1ccc(cc1)F)OCCCO 34a_100011351027_100000230001 [0,1,0,0,0,0|2,0,1]=4 1021 B15R1.128 CC(Cc1ccc(cc1)F)OCCCO 7a_100011351027_100011215043 [0,1,0,0,0,0|2,0,1]=4 1022 B15R1.128 CC(Cc1ccc(cc1)O)NCCC#N 2230a_100102634573_100011215226 [0,1,0,0,0,0|0,0,0]=1 1023 B15R1.128 CC(Cc1ccc(cc1)O)NCCC#N 270004a_100000720768_100011218180 [0,1,0,0,0,0|0,0,0]=1 1024 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 2230a_100102634573_100011934791 [0,1,0,0,0,0|1,0,1]=3 1025 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 270004a_100015189416_100011218180 [0,1,0,0,0,0|1,0,1]=3 1026 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 34a_100102634573_100011934791 [0,1,0,0,0,0|1,0,1]=3 1027 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 2230a_100102634573_100000230001 [0,1,0,0,0,0|1,0,1]=3 1028 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 270004a_100000182051_100011218180 [0,1,0,0,0,0|1,0,1]=3 1029 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 34a_100102634573_100000230001 [0,1,0,0,0,0|1,0,1]=3 1030 B15R1.128 CC=CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000070051 [0,1,0,0,0,0|1,0,2]=4 1031 B15R1.128 CC=CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000070051 [0,1,0,0,0,0|1,0,2]=4 1032 B15R1.128 CCCCNC(C)Cc1ccc(cc1)Br 270004a_100000102301_100000691760 [0,1,0,0,0,0|1,0,1]=3 1033 B15R1.128 CCCCNC(C)Cc1ccc(cc1)C 270004a_100000102301_100000751045 [0,1,0,0,0,0|1,0,1]=3 1034 B15R1.128 CCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000102301_100000747806 [0,1,0,0,0,0|1,0,1]=3 1035 B15R1.128 CCCCNC(C)Cc1ccc(cc1)F 270004a_100000102301_100000745281 [0,1,0,0,0,0|1,0,1]=3 1036 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210211 [0,1,0,0,0,0|1,0,1]=3 1037 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 270004a_100000102301_100011218180 [0,1,0,0,0,0|1,0,1]=3 1038 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210210 [0,1,0,0,0,0|1,0,1]=3 1039 B15R1.128 CCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210210 [0,1,0,0,0,0|2,0,1]=4 1040 B15R1.128 CCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210211 [0,1,0,0,0,0|2,0,1]=4 1041 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)Br 2230a_100000180866_100000687738 [0,1,0,0,0,0|2,0,0]=3 1042 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)Br 269982a_100000180866_100000687738 [0,1,0,0,0,0|2,0,0]=3 1043 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)Cl 2230a_100000184517_100000687738 [0,1,0,0,0,0|2,0,0]=3 1044 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)Cl 269982a_100000184517_100000687738 [0,1,0,0,0,0|2,0,0]=3 1045 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)F 2230a_100000184576_100000687738 [0,1,0,0,0,0|2,0,0]=3 1046 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)F 269982a_100000184576_100000687738 [0,1,0,0,0,0|2,0,0]=3 1047 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)O 2230a_100000207500_100000687738 [0,1,0,0,0,0|2,0,0]=3 1048 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)O 269982a_100000207500_100000687738 [0,1,0,0,0,0|2,0,0]=3 1049 B15R1.128 CN(CCCC#N)Cc1ccc(nc1)Cl 2230a_100000026953_100000687738 [0,1,0,0,0,0|3,0,0]=4 1050 B15R1.128 CN(CCCC#N)Cc1ccc(nc1)Cl 269982a_100000026953_100000687738 [0,1,0,0,0,0|3,0,0]=4 1051 B15R1.128 CN(CCSC#N)Cc1ccc(cc1)Br 269982a_100000180866_100000034367 [0,1,0,0,0,0|3,0,0]=4 1052 B15R1.128 CN(CCSC#N)Cc1ccc(cc1)Cl 269982a_100000184517_100000034367 [0,1,0,0,0,0|3,0,0]=4 1053 B15R1.128 CN(CCSC#N)Cc1ccc(cc1)F 269982a_100000184576_100000034367 [0,1,0,0,0,0|3,0,0]=4 1054 B15R1.128 CN(CCSC#N)Cc1ccc(cc1)O 269982a_100000207500_100000034367 [0,1,0,0,0,0|3,0,0]=4 1055 B15R1.128 COCCNC(C)Cc1ccc(cc1)Br 270004a_100000209980_100000691760 [0,1,0,0,0,0|2,0,0]=3 1056 B15R1.128 COCCNC(C)Cc1ccc(cc1)C 270004a_100000209980_100000751045 [0,1,0,0,0,0|2,0,0]=3 1057 B15R1.128 COCCNC(C)Cc1ccc(cc1)Cl 270004a_100000209980_100000747806 [0,1,0,0,0,0|2,0,0]=3 1058 B15R1.128 COCCNC(C)Cc1ccc(cc1)F 270004a_100000209980_100000745281 [0,1,0,0,0,0|2,0,0]=3 1059 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011201679 [0,1,0,0,0,0|2,0,0]=3 1060 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 270004a_100000209980_100011218180 [0,1,0,0,0,0|2,0,0]=3 1061 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011201679 [0,1,0,0,0,0|2,0,0]=3 1062 B15R1.128 COCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100011201679 [0,1,0,0,0,0|3,0,0]=4 1063 B15R1.128 COCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000233755 [0,1,0,0,0,0|3,0,0]=4 1064 B15R1.128 CSCCNC(C)Cc1ccc(cc1)Br 270004a_100020590264_100000691760 [0,1,0,0,0,0|2,0,0]=3 1065 B15R1.128 CSCCNC(C)Cc1ccc(cc1)C 270004a_100020590264_100000751045 [0,1,0,0,0,0|2,0,0]=3 1066 B15R1.128 CSCCNC(C)Cc1ccc(cc1)Cl 270004a_100020590264_100000747806 [0,1,0,0,0,0|2,0,0]=3 1067 B15R1.128 CSCCNC(C)Cc1ccc(cc1)F 270004a_100020590264_100000745281 [0,1,0,0,0,0|2,0,0]=3 1068 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000751147 [0,1,0,0,0,0|2,0,0]=3 1069 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 270004a_100020590264_100011218180 [0,1,0,0,0,0|2,0,0]=3 1070 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000212216 [0,1,0,0,0,0|2,0,0]=3 1071 B15R1.128 CSCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000212216 [0,1,0,0,0,0|3,0,0]=4 1072 B15R1.128 CSCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000212216 [0,1,0,0,0,0|3,0,0]=4 1073 B15R1.128 Cc1ccc(cc1)CC(=O)CCCC#N 1458a_100000075515_100000210814 [0,1,0,0,0,0|2,0,1]=4 1074 B15R1.128 Cc1ccc(cc1)CC(=O)CCCC#N 1458a_100000212244_100000211468 [0,1,0,0,0,0|2,0,1]=4 1075 B15R1.128 Cc1ccc(cc1)CC(=O)NCCC#N 11a_100000720768_100000212244 [0,1,0,0,0,0|1,0,1]=3 1076 B15R1.128 Cc1ccc(cc1)CC(=O)NCCC#N 240690a_100000720768_100000212244 [0,1,0,0,0,0|1,0,1]=3 1077 B15R1.128 Cc1ccc(cc1)CC(=O)NCCC#N 527a_100000720768_100000212244 [0,1,0,0,0,0|1,0,1]=3 1078 B15R1.128 Cc1ccc(cc1)CC(C)NCCC#N 270004a_100000720768_100000751045 [0,1,0,0,0,0|0,0,0]=1 1079 B15R1.128 Cc1ccc(cc1)CC(C)NCCCF 270004a_100015189416_100000751045 [0,1,0,0,0,0|1,0,1]=3 1080 B15R1.128 Cc1ccc(cc1)CC(C)NCCCO 270004a_100000182051_100000751045 [0,1,0,0,0,0|1,0,1]=3 1081 B15R1.128 Cc1ccc(cc1)CN(C)CCCC#N 2230a_100000744650_100000687738 [0,1,0,0,0,0|2,0,0]=3 1082 B15R1.128 Cc1ccc(cc1)CN(C)CCCC#N 269982a_100000744650_100000687738 [0,1,0,0,0,0|2,0,0]=3 1083 B15R1.128 Cc1ccc(cc1)CN(C)CCSC#N 269982a_100000744650_100000034367 [0,1,0,0,0,0|3,0,0]=4 1084 B15R1.128 Cc1ccc(cc1)NC(=O)NCCC#N 2430a_100000124888_100000720768 [0,1,0,0,0,0|2,0,1]=4 1085 B15R1.128 Cc1ccc(cc1)OC(C)CNCC#N 2230a_100000763606_100011215382 [0,1,0,0,0,0|3,0,0]=4 1086 B15R1.128 Cc1ccc(cn1)CC(=O)NCCC#N 11a_100000720768_100000740413 [0,1,0,0,0,0|2,0,1]=4 1087 B15R1.128 Cc1ccc(cn1)CC(=O)NCCC#N 1626a_100000720768_100000740413 [0,1,0,0,0,0|2,0,1]=4 1088 B15R1.128 Cc1ccc(cn1)CC(=O)NCCC#N 240690a_100000720768_100000740413 [0,1,0,0,0,0|2,0,1]=4 1089 B15R1.128 Cc1ccc(cn1)CC(=O)NCCC#N 527a_100000720768_100000740413 [0,1,0,0,0,0|2,0,1]=4 1090 B15R1.128 Cc1ccc(cn1)CN(C)CCCC#N 2230a_106623407658_100000687738 [0,1,0,0,0,0|3,0,0]=4 1091 B15R1.128 Cc1ccc(cn1)CN(C)CCCC#N 269982a_106623407658_100000687738 [0,1,0,0,0,0|3,0,0]=4 1092 B15R1.128 Cc1ccc(nc1)CC(=O)NCCC#N 11a_100000720768_100025705728 [0,1,0,0,0,0|2,0,1]=4 1093 B15R1.128 Cc1ccc(nc1)CC(=O)NCCC#N 1626a_100000720768_100025705728 [0,1,0,0,0,0|2,0,1]=4 1094 B15R1.128 Cc1ccc(nc1)CC(=O)NCCC#N 240690a_100000720768_100025705728 [0,1,0,0,0,0|2,0,1]=4 1095 B15R1.128 Cc1ccc(nc1)CN(C)CCCC#N 2230a_200000717808_100000687738 [0,1,0,0,0,0|3,0,0]=4 1096 B15R1.128 Cc1ccc(nc1)CN(C)CCCC#N 269982a_200000717808_100000687738 [0,1,0,0,0,0|3,0,0]=4 1097 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)Br 1458a_100000075515_100000189115 [0,1,0,0,0,0|2,0,1]=4 1098 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000211468 [0,1,0,0,0,0|2,0,1]=4 1099 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000075515_100000694040 [0,1,0,0,0,0|2,0,1]=4 1100 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000211468 [0,1,0,0,0,0|2,0,1]=4 1101 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)F 1458a_100000075515_100000198546 [0,1,0,0,0,0|2,0,1]=4 1102 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000211468 [0,1,0,0,0,0|2,0,1]=4 1103 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)I 1458a_100000075515_100000189116 [0,1,0,0,0,0|2,0,1]=4 1104 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000211468 [0,1,0,0,0,0|2,0,1]=4 1105 B15R1.128 N#CCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000211468 [0,1,0,0,0,0|2,0,1]=4 1106 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Br 11a_100000720768_100000198978 [0,1,0,0,0,0|1,0,1]=3 1107 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Br 240690a_100000720768_100000198978 [0,1,0,0,0,0|1,0,1]=3 1108 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Br 527a_100000720768_100000198978 [0,1,0,0,0,0|1,0,1]=3 1109 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Cl 11a_100000720768_100000211027 [0,1,0,0,0,0|1,0,1]=3 1110 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Cl 240690a_100000720768_100000211027 [0,1,0,0,0,0|1,0,1]=3 1111 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Cl 527a_100000720768_100000211027 [0,1,0,0,0,0|1,0,1]=3 1112 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F 11a_100000720768_100000210951 [0,1,0,0,0,0|1,0,1]=3 1113 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F 1626a_100000720768_100000210951 [0,1,0,0,0,0|1,0,1]=3 1114 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F 240690a_100000720768_100000210951 [0,1,0,0,0,0|1,0,1]=3 1115 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F 527a_100000720768_100000210951 [0,1,0,0,0,0|1,0,1]=3 1116 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)I 11a_100000720768_100000688869 [0,1,0,0,0,0|1,0,1]=3 1117 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)I 1626a_100000720768_100000688869 [0,1,0,0,0,0|1,0,1]=3 1118 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)I 240690a_100000720768_100000688869 [0,1,0,0,0,0|1,0,1]=3 1119 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)I 527a_100000720768_100000688869 [0,1,0,0,0,0|1,0,1]=3 1120 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)O 1626a_100000720768_100000198540 [0,1,0,0,0,0|1,0,1]=3 1121 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)O 240690a_100000720768_100000198540 [0,1,0,0,0,0|1,0,1]=3 1122 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)O 527a_100000720768_100000198540 [0,1,0,0,0,0|1,0,1]=3 1123 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Br 11a_100000720768_100020629044 [0,1,0,0,0,0|2,0,1]=4 1124 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Br 240690a_100000720768_100020629044 [0,1,0,0,0,0|2,0,1]=4 1125 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl 11a_100000720768_100000728320 [0,1,0,0,0,0|2,0,1]=4 1126 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl 1626a_100000720768_100000728320 [0,1,0,0,0,0|2,0,1]=4 1127 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl 240690a_100000720768_100000728320 [0,1,0,0,0,0|2,0,1]=4 1128 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl 527a_100000720768_100000728320 [0,1,0,0,0,0|2,0,1]=4 1129 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Br 11a_100000720768_100010067268 [0,1,0,0,0,0|2,0,1]=4 1130 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Br 240690a_100000720768_100010067268 [0,1,0,0,0,0|2,0,1]=4 1131 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Br 527a_100000720768_100010067268 [0,1,0,0,0,0|2,0,1]=4 1132 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Cl 11a_100000720768_100000061944 [0,1,0,0,0,0|2,0,1]=4 1133 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Cl 1626a_100000720768_100000061944 [0,1,0,0,0,0|2,0,1]=4 1134 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Cl 240690a_100000720768_100000061944 [0,1,0,0,0,0|2,0,1]=4 1135 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Cl 527a_100000720768_100000061944 [0,1,0,0,0,0|2,0,1]=4 1136 B15R1.128 N#CCCNC(=O)Cn1ccc(=O)cc1 11a_100000720768_200000238563 [0,1,0,0,0,0|2,0,1]=4 1137 B15R1.128 N#CCCNC(=O)Cn1ccc(=O)cc1 1626a_100000720768_200000238563 [0,1,0,0,0,0|2,0,1]=4 1138 B15R1.128 N#CCCNC(=O)Cn1ccc(=O)cc1 240690a_100000720768_200000238563 [0,1,0,0,0,0|2,0,1]=4 1139 B15R1.128 N#CCCNC(=O)Cn1ccc(=O)cc1 527a_100000720768_200000238563 [0,1,0,0,0,0|2,0,1]=4 1140 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000720768 [0,1,0,0,0,0|2,0,1]=4 1141 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000720768 [0,1,0,0,0,0|2,0,1]=4 1142 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000720768 [0,1,0,0,0,0|2,0,1]=4 1143 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000720768 [0,1,0,0,0,0|2,0,1]=4 1144 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000720768 [0,1,0,0,0,0|2,0,1]=4 1145 B15R1.129 C#CCCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000731252 [0,1,0,0,0,0|3,0,0]=4 1146 B15R1.129 C#CCCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100011215417 [0,1,0,0,0,0|3,0,0]=4 1147 B15R1.129 C#CCCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000731252 [0,1,0,0,0,0|3,0,0]=4 1148 B15R1.129 C#CCCCN(C)Cc1cccc(c1)C 269982a_102495364743_100011215417 [0,1,0,0,0,0|3,0,0]=4 1149 B15R1.129 C#CCCCN(C)Cc1cccc(c1)C 34a_102495364743_100000695029 [0,1,0,0,0,0|3,0,0]=4 1150 B15R1.129 C#CCCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000731252 [0,1,0,0,0,0|3,0,0]=4 1151 B15R1.129 C#CCCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100011215417 [0,1,0,0,0,0|3,0,0]=4 1152 B15R1.129 C#CCCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000731252 [0,1,0,0,0,0|3,0,0]=4 1153 B15R1.129 C#CCCCN(C)Cc1cccc(c1)F 269982a_100000184398_100011215417 [0,1,0,0,0,0|3,0,0]=4 1154 B15R1.129 C#CCCCN(C)Cc1cccc(c1)F 34a_100000184398_100000695029 [0,1,0,0,0,0|3,0,0]=4 1155 B15R1.129 C#CCCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000731252 [0,1,0,0,0,0|3,0,0]=4 1156 B15R1.129 C#CCCCN(C)Cc1cccc(c1)O 269982a_100000207540_100011215417 [0,1,0,0,0,0|3,0,0]=4 1157 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Br 11a_100000755551_100000747190 [0,1,0,0,0,0|2,0,1]=4 1158 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Br 240690a_100000755551_100000747190 [0,1,0,0,0,0|2,0,1]=4 1159 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Br 527a_100000755551_100000747190 [0,1,0,0,0,0|2,0,1]=4 1160 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)C 11a_100000755551_100011206899 [0,1,0,0,0,0|2,0,1]=4 1161 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)C 1626a_100000755551_100011206899 [0,1,0,0,0,0|2,0,1]=4 1162 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)C 240690a_100000755551_100011206899 [0,1,0,0,0,0|2,0,1]=4 1163 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)C 527a_100000755551_100011206899 [0,1,0,0,0,0|2,0,1]=4 1164 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Cl 11a_100000755551_100000749307 [0,1,0,0,0,0|2,0,1]=4 1165 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Cl 1626a_100000755551_100000749307 [0,1,0,0,0,0|2,0,1]=4 1166 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Cl 240690a_100000755551_100000749307 [0,1,0,0,0,0|2,0,1]=4 1167 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Cl 527a_100000755551_100000749307 [0,1,0,0,0,0|2,0,1]=4 1168 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)F 11a_100000755551_100000211661 [0,1,0,0,0,0|2,0,1]=4 1169 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)F 1626a_100000755551_100000211661 [0,1,0,0,0,0|2,0,1]=4 1170 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)F 240690a_100000755551_100000211661 [0,1,0,0,0,0|2,0,1]=4 1171 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)F 527a_100000755551_100000211661 [0,1,0,0,0,0|2,0,1]=4 1172 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)I 11a_100000755551_100000238430 [0,1,0,0,0,0|2,0,1]=4 1173 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)I 1626a_100000755551_100000238430 [0,1,0,0,0,0|2,0,1]=4 1174 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)I 240690a_100000755551_100000238430 [0,1,0,0,0,0|2,0,1]=4 1175 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)I 527a_100000755551_100000238430 [0,1,0,0,0,0|2,0,1]=4 1176 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)O 240690a_100000755551_100000745134 [0,1,0,0,0,0|2,0,1]=4 1177 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)O 527a_100000755551_100000745134 [0,1,0,0,0,0|2,0,1]=4 1178 B15R1.129 C#CCCOC(C)Cc1cccc(n1)C 34a_200015421231_100000688953 [0,1,0,0,0,0|3,0,0]=4 1179 B15R1.129 C=CCCNC(C)Cc1cc(ccn1)C 270004a_100015191253_200015184229 [0,1,0,0,0,0|2,0,1]=4 1180 B15R1.129 C=CCCNC(C)Cc1cccc(c1)Br 270004a_100015191253_100000689217 [0,1,0,0,0,0|1,0,1]=3 1181 B15R1.129 C=CCCNC(C)Cc1cccc(c1)Cl 270004a_100015191253_100000727212 [0,1,0,0,0,0|1,0,1]=3 1182 B15R1.129 C=CCCNC(C)Cc1cccc(c1)F 270004a_100015191253_100000687711 [0,1,0,0,0,0|1,0,1]=3 1183 B15R1.129 CC(Cc1cccc(c1)Br)NCCC#N 270004a_100000720768_100000689217 [0,1,0,0,0,0|0,0,0]=1 1184 B15R1.129 CC(Cc1cccc(c1)Br)NCCCF 270004a_100015189416_100000689217 [0,1,0,0,0,0|1,0,1]=3 1185 B15R1.129 CC(Cc1cccc(c1)Br)NCCCO 270004a_100000182051_100000689217 [0,1,0,0,0,0|1,0,1]=3 1186 B15R1.129 CC(Cc1cccc(c1)Cl)NCCC#N 270004a_100000720768_100000727212 [0,1,0,0,0,0|0,0,0]=1 1187 B15R1.129 CC(Cc1cccc(c1)Cl)NCCCF 270004a_100015189416_100000727212 [0,1,0,0,0,0|1,0,1]=3 1188 B15R1.129 CC(Cc1cccc(c1)Cl)NCCCO 270004a_100000182051_100000727212 [0,1,0,0,0,0|1,0,1]=3 1189 B15R1.129 CC(Cc1cccc(c1)F)NCCC#N 270004a_100000720768_100000687711 [0,1,0,0,0,0|0,0,0]=1 1190 B15R1.129 CC(Cc1cccc(c1)F)NCCCF 270004a_100015189416_100000687711 [0,1,0,0,0,0|1,0,1]=3 1191 B15R1.129 CC(Cc1cccc(c1)F)NCCCO 270004a_100000182051_100000687711 [0,1,0,0,0,0|1,0,1]=3 1192 B15R1.129 CCCCNC(C)Cc1cc(ccn1)C 270004a_100000102301_200015184229 [0,1,0,0,0,0|2,0,1]=4 1193 B15R1.129 CCCCNC(C)Cc1cccc(c1)Br 270004a_100000102301_100000689217 [0,1,0,0,0,0|1,0,1]=3 1194 B15R1.129 CCCCNC(C)Cc1cccc(c1)Cl 270004a_100000102301_100000727212 [0,1,0,0,0,0|1,0,1]=3 1195 B15R1.129 CCCCNC(C)Cc1cccc(c1)F 270004a_100000102301_100000687711 [0,1,0,0,0,0|1,0,1]=3 1196 B15R1.129 CN(CCCC#N)Cc1cc(ccn1)Cl 2230a_100102954512_100000687738 [0,1,0,0,0,0|3,0,0]=4 1197 B15R1.129 CN(CCCC#N)Cc1cc(ccn1)Cl 269982a_100102954512_100000687738 [0,1,0,0,0,0|3,0,0]=4 1198 B15R1.129 CN(CCCC#N)Cc1cccc(c1)Br 2230a_100000187585_100000687738 [0,1,0,0,0,0|2,0,0]=3 1199 B15R1.129 CN(CCCC#N)Cc1cccc(c1)Br 269982a_100000187585_100000687738 [0,1,0,0,0,0|2,0,0]=3 1200 B15R1.129 CN(CCCC#N)Cc1cccc(c1)Cl 2230a_100020629429_100000687738 [0,1,0,0,0,0|2,0,0]=3 1201 B15R1.129 CN(CCCC#N)Cc1cccc(c1)Cl 269982a_100020629429_100000687738 [0,1,0,0,0,0|2,0,0]=3 1202 B15R1.129 CN(CCCC#N)Cc1cccc(c1)F 2230a_100000184398_100000687738 [0,1,0,0,0,0|2,0,0]=3 1203 B15R1.129 CN(CCCC#N)Cc1cccc(c1)F 269982a_100000184398_100000687738 [0,1,0,0,0,0|2,0,0]=3 1204 B15R1.129 CN(CCCC#N)Cc1cccc(c1)O 2230a_100000207540_100000687738 [0,1,0,0,0,0|2,0,0]=3 1205 B15R1.129 CN(CCCC#N)Cc1cccc(c1)O 269982a_100000207540_100000687738 [0,1,0,0,0,0|2,0,0]=3 1206 B15R1.129 CN(CCCC#N)Cc1cccc(n1)Br 2230a_106354212997_100000687738 [0,1,0,0,0,0|3,0,0]=4 1207 B15R1.129 CN(CCCC#N)Cc1cccc(n1)Br 269982a_106354212997_100000687738 [0,1,0,0,0,0|3,0,0]=4 1208 B15R1.129 CN(CCCC#N)Cc1cncc(c1)Br 2230a_103549770560_100000687738 [0,1,0,0,0,0|3,0,0]=4 1209 B15R1.129 CN(CCCC#N)Cc1cncc(c1)Br 269982a_103549770560_100000687738 [0,1,0,0,0,0|3,0,0]=4 1210 B15R1.129 CN(CCSC#N)Cc1cccc(c1)Br 269982a_100000187585_100000034367 [0,1,0,0,0,0|3,0,0]=4 1211 B15R1.129 CN(CCSC#N)Cc1cccc(c1)Cl 269982a_100020629429_100000034367 [0,1,0,0,0,0|3,0,0]=4 1212 B15R1.129 CN(CCSC#N)Cc1cccc(c1)F 269982a_100000184398_100000034367 [0,1,0,0,0,0|3,0,0]=4 1213 B15R1.129 CN(CCSC#N)Cc1cccc(c1)O 269982a_100000207540_100000034367 [0,1,0,0,0,0|3,0,0]=4 1214 B15R1.129 COCCNC(C)Cc1cc(ccn1)C 270004a_100000209980_200015184229 [0,1,0,0,0,0|3,0,0]=4 1215 B15R1.129 COCCNC(C)Cc1cccc(c1)Br 270004a_100000209980_100000689217 [0,1,0,0,0,0|2,0,0]=3 1216 B15R1.129 COCCNC(C)Cc1cccc(c1)Cl 270004a_100000209980_100000727212 [0,1,0,0,0,0|2,0,0]=3 1217 B15R1.129 COCCNC(C)Cc1cccc(c1)F 270004a_100000209980_100000687711 [0,1,0,0,0,0|2,0,0]=3 1218 B15R1.129 CSCCNC(C)Cc1cc(ccn1)C 270004a_100020590264_200015184229 [0,1,0,0,0,0|3,0,0]=4 1219 B15R1.129 CSCCNC(C)Cc1cccc(c1)Br 270004a_100020590264_100000689217 [0,1,0,0,0,0|2,0,0]=3 1220 B15R1.129 CSCCNC(C)Cc1cccc(c1)Cl 270004a_100020590264_100000727212 [0,1,0,0,0,0|2,0,0]=3 1221 B15R1.129 CSCCNC(C)Cc1cccc(c1)F 270004a_100020590264_100000687711 [0,1,0,0,0,0|2,0,0]=3 1222 B15R1.129 Cc1cccc(c1)CC(=O)CCCC#N 1458a_100000075515_100000211840 [0,1,0,0,0,0|2,0,1]=4 1223 B15R1.129 Cc1cccc(c1)CC(=O)CCCC#N 1458a_100011206899_100000211468 [0,1,0,0,0,0|2,0,1]=4 1224 B15R1.129 Cc1cccc(c1)CC(=O)NCCC#N 11a_100000720768_100011206899 [0,1,0,0,0,0|1,0,1]=3 1225 B15R1.129 Cc1cccc(c1)CC(=O)NCCC#N 1626a_100000720768_100011206899 [0,1,0,0,0,0|1,0,1]=3 1226 B15R1.129 Cc1cccc(c1)CC(=O)NCCC#N 240690a_100000720768_100011206899 [0,1,0,0,0,0|1,0,1]=3 1227 B15R1.129 Cc1cccc(c1)CC(=O)NCCC#N 527a_100000720768_100011206899 [0,1,0,0,0,0|1,0,1]=3 1228 B15R1.129 Cc1cccc(c1)CN(C)CCCC#N 2230a_102495364743_100000687738 [0,1,0,0,0,0|2,0,0]=3 1229 B15R1.129 Cc1cccc(c1)CN(C)CCCC#N 269982a_102495364743_100000687738 [0,1,0,0,0,0|2,0,0]=3 1230 B15R1.129 Cc1cccc(c1)CN(C)CCSC#N 269982a_102495364743_100000034367 [0,1,0,0,0,0|3,0,0]=4 1231 B15R1.129 Cc1cccc(c1)NC(=O)NCCC#N 2430a_100000188690_100000720768 [0,1,0,0,0,0|2,0,1]=4 1232 B15R1.129 Cc1cccc(c1)NC(=O)NCCC#N 512a_100000188690_100000720768 [0,1,0,0,0,0|2,0,1]=4 1233 B15R1.129 Cc1cccc(n1)CC(=O)NCCC#N 11a_100000720768_100012001110 [0,1,0,0,0,0|2,0,1]=4 1234 B15R1.129 Cc1cccc(n1)CC(=O)NCCC#N 1626a_100000720768_100012001110 [0,1,0,0,0,0|2,0,1]=4 1235 B15R1.129 Cc1cccc(n1)CC(=O)NCCC#N 240690a_100000720768_100012001110 [0,1,0,0,0,0|2,0,1]=4 1236 B15R1.129 Cc1cccc(n1)CC(=O)NCCC#N 527a_100000720768_100012001110 [0,1,0,0,0,0|2,0,1]=4 1237 B15R1.129 Cc1cccc(n1)CN(C)CCCC#N 2230a_100000687132_100000687738 [0,1,0,0,0,0|3,0,0]=4 1238 B15R1.129 Cc1cccc(n1)CN(C)CCCC#N 269982a_100000687132_100000687738 [0,1,0,0,0,0|3,0,0]=4 1239 B15R1.129 Cc1ccnc(c1)CC(C)NCCC#N 270004a_100000720768_200015184229 [0,1,0,0,0,0|1,0,0]=2 1240 B15R1.129 Cc1ccnc(c1)CC(C)NCCCF 270004a_100015189416_200015184229 [0,1,0,0,0,0|2,0,1]=4 1241 B15R1.129 Cc1ccnc(c1)CC(C)NCCCO 270004a_100000182051_200015184229 [0,1,0,0,0,0|2,0,1]=4 1242 B15R1.129 Cc1ccnc(c1)CN(C)CCCC#N 2230a_106354213154_100000687738 [0,1,0,0,0,0|3,0,0]=4 1243 B15R1.129 Cc1ccnc(c1)CN(C)CCCC#N 269982a_106354213154_100000687738 [0,1,0,0,0,0|3,0,0]=4 1244 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)Br 1458a_100000075515_100000211773 [0,1,0,0,0,0|2,0,1]=4 1245 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000211468 [0,1,0,0,0,0|2,0,1]=4 1246 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)Cl 1458a_100000075515_100000181238 [0,1,0,0,0,0|2,0,1]=4 1247 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000211468 [0,1,0,0,0,0|2,0,1]=4 1248 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)F 1458a_100000075515_100000230114 [0,1,0,0,0,0|2,0,1]=4 1249 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000211468 [0,1,0,0,0,0|2,0,1]=4 1250 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)I 1458a_100000075515_100011218688 [0,1,0,0,0,0|2,0,1]=4 1251 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000211468 [0,1,0,0,0,0|2,0,1]=4 1252 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)O 1458a_100000075515_100011660834 [0,1,0,0,0,0|2,0,1]=4 1253 B15R1.129 N#CCCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000211468 [0,1,0,0,0,0|2,0,1]=4 1254 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Br 11a_100000720768_100000747190 [0,1,0,0,0,0|1,0,1]=3 1255 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Br 240690a_100000720768_100000747190 [0,1,0,0,0,0|1,0,1]=3 1256 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Br 527a_100000720768_100000747190 [0,1,0,0,0,0|1,0,1]=3 1257 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Cl 11a_100000720768_100000749307 [0,1,0,0,0,0|1,0,1]=3 1258 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Cl 1626a_100000720768_100000749307 [0,1,0,0,0,0|1,0,1]=3 1259 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Cl 240690a_100000720768_100000749307 [0,1,0,0,0,0|1,0,1]=3 1260 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Cl 527a_100000720768_100000749307 [0,1,0,0,0,0|1,0,1]=3 1261 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)F 11a_100000720768_100000211661 [0,1,0,0,0,0|1,0,1]=3 1262 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)F 1626a_100000720768_100000211661 [0,1,0,0,0,0|1,0,1]=3 1263 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)F 240690a_100000720768_100000211661 [0,1,0,0,0,0|1,0,1]=3 1264 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)F 527a_100000720768_100000211661 [0,1,0,0,0,0|1,0,1]=3 1265 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)I 11a_100000720768_100000238430 [0,1,0,0,0,0|1,0,1]=3 1266 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)I 1626a_100000720768_100000238430 [0,1,0,0,0,0|1,0,1]=3 1267 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)I 240690a_100000720768_100000238430 [0,1,0,0,0,0|1,0,1]=3 1268 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)I 527a_100000720768_100000238430 [0,1,0,0,0,0|1,0,1]=3 1269 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)O 240690a_100000720768_100000745134 [0,1,0,0,0,0|1,0,1]=3 1270 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)O 527a_100000720768_100000745134 [0,1,0,0,0,0|1,0,1]=3 1271 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Br 11a_100000720768_100010201708 [0,1,0,0,0,0|2,0,1]=4 1272 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Br 240690a_100000720768_100010201708 [0,1,0,0,0,0|2,0,1]=4 1273 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Br 527a_100000720768_100010201708 [0,1,0,0,0,0|2,0,1]=4 1274 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Cl 11a_100000720768_100000090259 [0,1,0,0,0,0|2,0,1]=4 1275 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Cl 1626a_100000720768_100000090259 [0,1,0,0,0,0|2,0,1]=4 1276 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Cl 240690a_100000720768_100000090259 [0,1,0,0,0,0|2,0,1]=4 1277 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)F 11a_100000720768_100000096803 [0,1,0,0,0,0|2,0,1]=4 1278 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)F 1626a_100000720768_100000096803 [0,1,0,0,0,0|2,0,1]=4 1279 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)F 240690a_100000720768_100000096803 [0,1,0,0,0,0|2,0,1]=4 1280 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Br 11a_100000720768_100010126891 [0,1,0,0,0,0|2,0,1]=4 1281 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Br 240690a_100000720768_100010126891 [0,1,0,0,0,0|2,0,1]=4 1282 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Br 527a_100000720768_100010126891 [0,1,0,0,0,0|2,0,1]=4 1283 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Cl 11a_100000720768_100000085289 [0,1,0,0,0,0|2,0,1]=4 1284 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Cl 1626a_100000720768_100000085289 [0,1,0,0,0,0|2,0,1]=4 1285 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Cl 240690a_100000720768_100000085289 [0,1,0,0,0,0|2,0,1]=4 1286 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Cl 527a_100000720768_100000085289 [0,1,0,0,0,0|2,0,1]=4 1287 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)Br 11a_100000720768_100000239331 [0,1,0,0,0,0|2,0,1]=4 1288 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)Br 240690a_100000720768_100000239331 [0,1,0,0,0,0|2,0,1]=4 1289 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)Br 527a_100000720768_100000239331 [0,1,0,0,0,0|2,0,1]=4 1290 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)F 11a_100000720768_100011667516 [0,1,0,0,0,0|2,0,1]=4 1291 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)F 240690a_100000720768_100011667516 [0,1,0,0,0,0|2,0,1]=4 1292 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)F 527a_100000720768_100011667516 [0,1,0,0,0,0|2,0,1]=4 1293 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000720768 [0,1,0,0,0,0|2,0,1]=4 1294 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000720768 [0,1,0,0,0,0|2,0,1]=4 1295 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000720768 [0,1,0,0,0,0|2,0,1]=4 1296 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000720768 [0,1,0,0,0,0|2,0,1]=4 1297 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100000720768 [0,1,0,0,0,0|2,0,1]=4 1298 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000720768 [0,1,0,0,0,0|2,0,1]=4 1299 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100000720768 [0,1,0,0,0,0|2,0,1]=4 1300 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000720768 [0,1,0,0,0,0|2,0,1]=4 1301 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100000720768 [0,1,0,0,0,0|2,0,1]=4 1302 B15R1.551 C#CCCC(=O)C(C)Cc1ccccc1 1458a_100000692101_200011218536 [0,1,0,0,0,0|2,0,0]=3 1303 B15R1.551 C#CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000753159 [0,1,0,0,0,0|2,0,0]=3 1304 B15R1.551 C#CCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000753159 [0,1,0,0,0,0|3,0,0]=4 1305 B15R1.551 C#CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000753159 [0,1,0,0,0,0|3,0,0]=4 1306 B15R1.551 C#CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000753159 [0,1,0,0,0,0|3,0,0]=4 1307 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 1308 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 1309 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 1310 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000692101 [0,1,0,0,0,0|3,0,0]=4 1311 B15R1.551 C#CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000753159 [0,1,0,0,0,0|3,0,0]=4 1312 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000688953 [0,1,0,0,0,0|2,0,0]=3 1313 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000730999 [0,1,0,0,0,0|2,0,0]=3 1314 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 11a_100000212058_100000754839 [0,1,0,0,0,0|3,0,0]=4 1315 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 1626a_100000212058_100000754839 [0,1,0,0,0,0|3,0,0]=4 1316 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 240690a_100000212058_100000754839 [0,1,0,0,0,0|3,0,0]=4 1317 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 527a_100000212058_100000754839 [0,1,0,0,0,0|3,0,0]=4 1318 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCC#N 1458a_100016990649_100011215226 [0,1,0,0,0,0|1,0,2]=4 1319 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000749702_200011218536 [0,1,0,0,0,0|2,0,1]=4 1320 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000754431 [0,1,0,0,0,0|2,0,1]=4 1321 B15R1.551 C=CCCN(C)C(C)C[n+]1ccccc1 270004a_100020639649_100000034229 [0,1,0,0,0,0|2,0,1]=4 1322 B15R1.551 C=CCCN(C)C(C)Cc1ccccc1 269982a_100020639649_200011218536 [0,1,0,0,0,0|1,0,1]=3 1323 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000754431 [0,1,0,0,0,0|2,0,1]=4 1324 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000754431 [0,1,0,0,0,0|2,0,1]=4 1325 B15R1.551 C=CCCN(C)C(C)Cc1cccnc1 270004a_100020639649_100015187140 [0,1,0,0,0,0|2,0,1]=4 1326 B15R1.551 C=CCCN(C)C(C)Cc1ccncc1 270004a_100020639649_100000238508 [0,1,0,0,0,0|2,0,1]=4 1327 B15R1.551 CC#CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000748600 [0,1,0,0,0,0|2,0,1]=4 1328 B15R1.551 CC#CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000748600 [0,1,0,0,0,0|2,0,1]=4 1329 B15R1.551 CC(C[n+]1ccccc1)N(C)CCC#N 270004a_100000184479_100000034229 [0,1,0,0,0,0|1,0,0]=2 1330 B15R1.551 CC(C[n+]1ccccc1)N(C)CCCO 270004a_100000213112_100000034229 [0,1,0,0,0,0|2,0,1]=4 1331 B15R1.551 CC(Cc1ccccc1)C(=O)CCC#N 1458a_100000754839_100011215226 [0,1,0,0,0,0|1,0,0]=2 1332 B15R1.551 CC(Cc1ccccc1)C(=O)CCC#N 1458a_100011934036_200011218536 [0,1,0,0,0,0|1,0,0]=2 1333 B15R1.551 CC(Cc1ccccc1)C(=O)CCCF 1458a_100000754839_100011934791 [0,1,0,0,0,0|2,0,1]=4 1334 B15R1.551 CC(Cc1ccccc1)C(=O)CCCO 1458a_100000754839_100011215043 [0,1,0,0,0,0|2,0,1]=4 1335 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000754839 [0,1,0,0,0,0|2,0,0]=3 1336 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N 527a_100000734998_100000754839 [0,1,0,0,0,0|2,0,0]=3 1337 B15R1.551 CC(Cc1ccccc1)N(C)CCCO 269982a_100000213112_200011218536 [0,1,0,0,0,0|1,0,1]=3 1338 B15R1.551 CC(Cc1ccccn1)C(=O)CCC#N 1458a_100012000792_100011215226 [0,1,0,0,0,0|2,0,0]=3 1339 B15R1.551 CC(Cc1ccccn1)C(=O)NCC#N 1626a_100000734998_100012000792 [0,1,0,0,0,0|3,0,0]=4 1340 B15R1.551 CC(Cc1ccccn1)C(=O)NCC#N 527a_100000734998_100012000792 [0,1,0,0,0,0|3,0,0]=4 1341 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 2230a_200011351704_100011215226 [0,1,0,0,0,0|1,0,0]=2 1342 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 269982a_200011351704_100011215226 [0,1,0,0,0,0|1,0,0]=2 1343 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 2230a_200011351704_100011934791 [0,1,0,0,0,0|2,0,1]=4 1344 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 269982a_200011351704_100011934791 [0,1,0,0,0,0|2,0,1]=4 1345 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 2230a_200011351704_100000230001 [0,1,0,0,0,0|2,0,1]=4 1346 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 269982a_200011351704_100011215043 [0,1,0,0,0,0|2,0,1]=4 1347 B15R1.551 CC(Cc1ccccn1)N(C)CSC#N 269982a_200011351704_100000211825 [0,1,0,0,0,0|2,0,0]=3 1348 B15R1.551 CC(Cc1cccnc1)N(C)CCC#N 270004a_100000184479_100015187140 [0,1,0,0,0,0|1,0,0]=2 1349 B15R1.551 CC(Cc1cccnc1)N(C)CCCO 270004a_100000213112_100015187140 [0,1,0,0,0,0|2,0,1]=4 1350 B15R1.551 CC(Cc1ccncc1)N(C)CCC#N 270004a_100000184479_100000238508 [0,1,0,0,0,0|1,0,0]=2 1351 B15R1.551 CC(Cc1ccncc1)N(C)CCCO 270004a_100000213112_100000238508 [0,1,0,0,0,0|2,0,1]=4 1352 B15R1.551 CC(Cc1cnccn1)N(C)CCC#N 270004a_100000184479_100015184882 [0,1,0,0,0,0|2,0,0]=3 1353 B15R1.551 CC(Oc1ccccc1)C(=O)CCC#N 1458a_100000188414_100011215226 [0,1,0,0,0,0|2,0,0]=3 1354 B15R1.551 CC(Oc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000188414 [0,1,0,0,0,0|3,0,0]=4 1355 B15R1.551 CC(Oc1ccccc1)C(=O)NCC#N 527a_100000734998_100000188414 [0,1,0,0,0,0|3,0,0]=4 1356 B15R1.551 CC(Sc1ccccc1)C(=O)CCC#N 1458a_100000199063_100011215226 [0,1,0,0,0,0|2,0,0]=3 1357 B15R1.551 CC(Sc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000199063 [0,1,0,0,0,0|3,0,0]=4 1358 B15R1.551 CC(Sc1ccccc1)C(=O)NCC#N 527a_100000734998_100000199063 [0,1,0,0,0,0|3,0,0]=4 1359 B15R1.551 CC(Sc1ccccn1)C(=O)CCC#N 1458a_100000156770_100011215226 [0,1,0,0,0,0|3,0,0]=4 1360 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000210183_200011218536 [0,1,0,0,0,0|2,0,1]=4 1361 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210211 [0,1,0,0,0,0|2,0,1]=4 1362 B15R1.551 CCCCN(C)C(C)C[n+]1ccccc1 270004a_100000207549_100000034229 [0,1,0,0,0,0|2,0,1]=4 1363 B15R1.551 CCCCN(C)C(C)Cc1ccccc1 269982a_100000207549_200011218536 [0,1,0,0,0,0|1,0,1]=3 1364 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210211 [0,1,0,0,0,0|2,0,1]=4 1365 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210211 [0,1,0,0,0,0|2,0,1]=4 1366 B15R1.551 CCCCN(C)C(C)Cc1cccnc1 270004a_100000207549_100015187140 [0,1,0,0,0,0|2,0,1]=4 1367 B15R1.551 CCCCN(C)C(C)Cc1ccncc1 270004a_100000207549_100000238508 [0,1,0,0,0,0|2,0,1]=4 1368 B15R1.551 CN(CCC#N)C(=O)C[n+]1ccccc1 11a_100000184479_200000086051 [0,1,0,0,0,0|2,0,1]=4 1369 B15R1.551 CN(CCC#N)C(=O)C[n+]1ccccc1 240690a_100000184479_200000086051 [0,1,0,0,0,0|2,0,1]=4 1370 B15R1.551 CN(CCC#N)C(=O)C[n+]1ccccc1 527a_100000184479_200000086051 [0,1,0,0,0,0|2,0,1]=4 1371 B15R1.551 CN(CCC#N)C(=O)Cc1ccccn1 11a_100000184479_100000233486 [0,1,0,0,0,0|2,0,1]=4 1372 B15R1.551 CN(CCC#N)C(=O)Cc1cccnc1 11a_100000184479_100000737805 [0,1,0,0,0,0|2,0,1]=4 1373 B15R1.551 CN(CCC#N)C(=O)Cc1cccnc1 240690a_100000184479_100000737805 [0,1,0,0,0,0|2,0,1]=4 1374 B15R1.551 CN(CCC#N)C(=O)Cc1cccnc1 527a_100000184479_100000737805 [0,1,0,0,0,0|2,0,1]=4 1375 B15R1.551 CN(CCC#N)C(=O)Cc1ccncc1 11a_100000184479_100011201483 [0,1,0,0,0,0|2,0,1]=4 1376 B15R1.551 CN(CCC#N)C(=O)Cc1ccncc1 240690a_100000184479_100011201483 [0,1,0,0,0,0|2,0,1]=4 1377 B15R1.551 CN(CCC#N)C(=O)Nc1ccccc1 2430a_100000106764_100000184479 [0,1,0,0,0,0|2,0,1]=4 1378 B15R1.551 CN(Cc1ccccc1)C(=O)CCC#N 11a_100000186898_100011934036 [0,1,0,0,0,0|2,0,0]=3 1379 B15R1.551 CN(Cc1ccccc1)C(=O)CCC#N 1626a_100000186898_100011934036 [0,1,0,0,0,0|2,0,0]=3 1380 B15R1.551 CN(Cc1ccccc1)C(=O)CCC#N 240690a_100000186898_100011934036 [0,1,0,0,0,0|2,0,0]=3 1381 B15R1.551 CN(Cc1ccccc1)C(=O)CCC#N 527a_100000186898_100011934036 [0,1,0,0,0,0|2,0,0]=3 1382 B15R1.551 CN(Cc1ccccc1)C(=O)NCC#N 2708a_100000734998_100000186898 [0,1,0,0,0,0|3,0,0]=4 1383 B15R1.551 CN(Cc1ccccc1)C(=O)NCC#N 273464a_100000734998_100000186898 [0,1,0,0,0,0|3,0,0]=4 1384 B15R1.551 CN(Cc1ccccn1)C(=O)CCC#N 11a_100000207498_100011934036 [0,1,0,0,0,0|3,0,0]=4 1385 B15R1.551 CN(Cc1ccccn1)C(=O)CCC#N 240690a_100000207498_100011934036 [0,1,0,0,0,0|3,0,0]=4 1386 B15R1.551 CN(Cc1ccccn1)C(=O)CCC#N 527a_100000207498_100011934036 [0,1,0,0,0,0|3,0,0]=4 1387 B15R1.551 CN(Cc1cccnc1)C(=O)CCC#N 11a_100000184577_100011934036 [0,1,0,0,0,0|3,0,0]=4 1388 B15R1.551 CN(Cc1cccnc1)C(=O)CCC#N 240690a_100000184577_100011934036 [0,1,0,0,0,0|3,0,0]=4 1389 B15R1.551 CN(Cc1cccnc1)C(=O)CCC#N 527a_100000184577_100011934036 [0,1,0,0,0,0|3,0,0]=4 1390 B15R1.551 CN(Cc1ccncc1)C(=O)CCC#N 11a_100000187231_100011934036 [0,1,0,0,0,0|3,0,0]=4 1391 B15R1.551 CN(Cc1ccncc1)C(=O)CCC#N 240690a_100000187231_100011934036 [0,1,0,0,0,0|3,0,0]=4 1392 B15R1.551 CN(Cc1ccncc1)C(=O)CCC#N 527a_100000187231_100011934036 [0,1,0,0,0,0|3,0,0]=4 1393 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000749529_200011218536 [0,1,0,0,0,0|3,0,0]=4 1394 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000233755 [0,1,0,0,0,0|3,0,0]=4 1395 B15R1.551 COCCN(C)C(C)C[n+]1ccccc1 270004a_100000743101_100000034229 [0,1,0,0,0,0|3,0,0]=4 1396 B15R1.551 COCCN(C)C(C)Cc1ccccc1 269982a_100000743101_200011218536 [0,1,0,0,0,0|2,0,0]=3 1397 B15R1.551 COCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100011201679 [0,1,0,0,0,0|3,0,0]=4 1398 B15R1.551 COCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000233755 [0,1,0,0,0,0|3,0,0]=4 1399 B15R1.551 COCCN(C)C(C)Cc1cccnc1 270004a_100000743101_100015187140 [0,1,0,0,0,0|3,0,0]=4 1400 B15R1.551 COCCN(C)C(C)Cc1ccncc1 270004a_100000743101_100000238508 [0,1,0,0,0,0|3,0,0]=4 1401 B15R1.551 CSCCC(=O)C(C)Cc1ccccc1 1458a_100000174002_200011218536 [0,1,0,0,0,0|3,0,0]=4 1402 B15R1.551 CSCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000751147 [0,1,0,0,0,0|3,0,0]=4 1403 B15R1.551 CSCCN(C)C(C)C[n+]1ccccc1 270004a_100000686725_100000034229 [0,1,0,0,0,0|3,0,0]=4 1404 B15R1.551 CSCCN(C)C(C)Cc1ccccc1 269982a_100000686725_200011218536 [0,1,0,0,0,0|2,0,0]=3 1405 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000751147 [0,1,0,0,0,0|3,0,0]=4 1406 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000212216 [0,1,0,0,0,0|3,0,0]=4 1407 B15R1.551 CSCCN(C)C(C)Cc1cccnc1 270004a_100000686725_100015187140 [0,1,0,0,0,0|3,0,0]=4 1408 B15R1.551 CSCCN(C)C(C)Cc1ccncc1 270004a_100000686725_100000238508 [0,1,0,0,0,0|3,0,0]=4 1409 B15R1.551 N#CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011215226 [0,1,0,0,0,0|2,0,0]=3 1410 B15R1.809 C#CCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100011220946 [0,1,0,0,0,0|2,0,1]=4 1411 B15R1.809 C#CCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100011220946 [0,1,0,0,0,0|2,0,1]=4 1412 B15R1.809 C#CCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100011220946 [0,1,0,0,0,0|2,0,1]=4 1413 B15R1.809 C#CCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100011220946 [0,1,0,0,0,0|2,0,1]=4 1414 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 34a_100000685586_200011218536 [0,1,0,0,0,0|2,0,0]=3 1415 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 7a_100000685586_200011218536 [0,1,0,0,0,0|2,0,0]=3 1416 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 34a_100000731007_200011218536 [0,1,0,0,0,0|2,0,1]=4 1417 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 7a_100000731007_200011218536 [0,1,0,0,0,0|2,0,1]=4 1418 B15R1.809 CC#CC(C)OC(C)Cc1ccccc1 34a_100011216543_200011218536 [0,1,0,0,0,0|2,0,1]=4 1419 B15R1.809 CC(CC#N)NC(C)Cc1ccccn1 2230a_100000238496_100009813641 [0,1,0,0,0,0|1,0,0]=2 1420 B15R1.809 CC(CC#N)NC(C)Cc1cccnc1 2230a_100011207255_100009813641 [0,1,0,0,0,0|1,0,0]=2 1421 B15R1.809 CC(CC#N)NC(C)Cc1cnccn1 2230a_100011277835_100009813641 [0,1,0,0,0,0|2,0,0]=3 1422 B15R1.809 CC(CC#N)OC(C)Cc1ccccc1 7a_100000748627_100009813641 [0,1,0,0,0,0|1,0,0]=2 1423 B15R1.809 CC(CC#N)SC(C)Cc1ccccc1 62a_100009813641_200011218536 [0,1,0,0,0,0|1,0,0]=2 1424 B15R1.809 CC(CC#N)SC(C)Cc1ccccc1 62a_200011218536_100009813641 [0,1,0,0,0,0|1,0,0]=2 1425 B15R1.809 CC(CCBr)OC(C)Cc1ccccc1 34a_100012276601_200011218536 [0,1,0,0,0,0|2,0,1]=4 1426 B15R1.809 CC(CCO)NC(C)Cc1ccccn1 2230a_100000238496_100009893172 [0,1,0,0,0,0|2,0,1]=4 1427 B15R1.809 CC(CCO)NC(C)Cc1cccnc1 2230a_100011207255_100009893172 [0,1,0,0,0,0|2,0,1]=4 1428 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 34a_100000748627_100009893172 [0,1,0,0,0,0|2,0,1]=4 1429 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 7a_100000748627_100009893172 [0,1,0,0,0,0|2,0,1]=4 1430 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_100009893172_200011218536 [0,1,0,0,0,0|2,0,1]=4 1431 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_200011218536_100009893172 [0,1,0,0,0,0|2,0,1]=4 1432 B15R1.809 CC(C[n+]1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000034229 [0,1,0,0,0,0|2,0,1]=4 1433 B15R1.809 CC(Cc1ccccc1)N[C@H](C)CCO 34a_100000706166_200011218536 [0,1,0,0,0,0|1,0,1]=3 1434 B15R1.809 CC(Cc1ccccn1)NC(=O)CC#N 1626a_100000238496_100051588842 [0,1,0,0,0,0|1,0,1]=3 1435 B15R1.809 CC(Cc1ccccn1)NC(=O)CC#N 240690a_100000238496_100051588842 [0,1,0,0,0,0|1,0,1]=3 1436 B15R1.809 CC(Cc1cccnc1)NC(=O)CC#N 1626a_100011207255_100051588842 [0,1,0,0,0,0|1,0,1]=3 1437 B15R1.809 CC(Cc1cccnc1)NC(=O)CC#N 240690a_100011207255_100051588842 [0,1,0,0,0,0|1,0,1]=3 1438 B15R1.809 CC(Cc1cccnc1)N[C@H](C)CCO 270004a_100000706166_100015187140 [0,1,0,0,0,0|2,0,1]=4 1439 B15R1.809 CC(Cc1ccncc1)N[C@H](C)CCO 270004a_100000706166_100000238508 [0,1,0,0,0,0|2,0,1]=4 1440 B15R1.809 CC(Cc1cnccn1)NC(=O)CC#N 1626a_100011277835_100051588842 [0,1,0,0,0,0|2,0,1]=4 1441 B15R1.809 CC(Cc1cnccn1)NC(=O)CC#N 240690a_100011277835_100051588842 [0,1,0,0,0,0|2,0,1]=4 1442 B15R1.809 CCCC(C)NC(C)C[n+]1ccccc1 270004a_100000741246_100000034229 [0,1,0,0,0,0|2,0,1]=4 1443 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000766640 [0,1,0,0,0,0|2,0,1]=4 1444 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000211909 [0,1,0,0,0,0|2,0,1]=4 1445 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000766640 [0,1,0,0,0,0|2,0,1]=4 1446 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100000741246_100015187140 [0,1,0,0,0,0|2,0,1]=4 1447 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000211909 [0,1,0,0,0,0|2,0,1]=4 1448 B15R1.809 CCCC(C)NC(C)Cc1ccncc1 270004a_100000741246_100000238508 [0,1,0,0,0,0|2,0,1]=4 1449 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000766640 [0,1,0,0,0,0|2,0,1]=4 1450 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000764384_200011218536 [0,1,0,0,0,0|2,0,1]=4 1451 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000766640 [0,1,0,0,0,0|2,0,1]=4 1452 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000764384_200011218536 [0,1,0,0,0,0|2,0,1]=4 1453 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_100000766640_200011218536 [0,1,0,0,0,0|2,0,1]=4 1454 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000766640 [0,1,0,0,0,0|2,0,1]=4 1455 B15R1.809 CN(CC#N)C[C@@H](O)Cc1ccccc1 2230a_100000748184_100000729385 [0,1,0,0,0,0|3,0,0]=4 1456 B15R1.809 CN(CC(=O)CC#N)Cc1ccccc1 1458a_100000745601_100011214920 [0,1,0,0,0,0|2,0,1]=4 1457 B15R1.809 CN(Cc1ccccc1)C[C@@H](O)CC#N 2230a_100000186898_100000001066 [0,1,0,0,0,0|2,0,0]=3 1458 B15R1.809 CN(Cc1ccccn1)C[C@@H](O)CC#N 2230a_100000207498_100000001066 [0,1,0,0,0,0|3,0,0]=4 1459 B15R1.809 CN(Cc1cccnc1)C[C@@H](O)CC#N 2230a_100000184577_100000001066 [0,1,0,0,0,0|3,0,0]=4 1460 B15R1.809 CN(Cc1ccncc1)C[C@@H](O)CC#N 2230a_100000187231_100000001066 [0,1,0,0,0,0|3,0,0]=4 1461 B15R1.809 COCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000765312 [0,1,0,0,0,0|3,0,0]=4 1462 B15R1.809 COCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000749346 [0,1,0,0,0,0|3,0,0]=4 1463 B15R1.809 COCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000765312 [0,1,0,0,0,0|3,0,0]=4 1464 B15R1.809 COCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000749346 [0,1,0,0,0,0|3,0,0]=4 1465 B15R1.809 COCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000765312 [0,1,0,0,0,0|3,0,0]=4 1466 B15R1.809 COCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000765312 [0,1,0,0,0,0|3,0,0]=4 1467 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_100000765312_200011218536 [0,1,0,0,0,0|3,0,0]=4 1468 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000765312 [0,1,0,0,0,0|3,0,0]=4 1469 B15R1.809 COC[C@@H](C)NC(C)C[n+]1ccccc1 270004a_100000764878_100000034229 [0,1,0,0,0,0|3,0,0]=4 1470 B15R1.809 COC[C@@H](C)NC(C)Cc1cccnc1 270004a_100000764878_100015187140 [0,1,0,0,0,0|3,0,0]=4 1471 B15R1.809 COC[C@@H](C)NC(C)Cc1ccncc1 270004a_100000764878_100000238508 [0,1,0,0,0,0|3,0,0]=4 1472 B15R1.809 COC[C@@H](C)OC(C)Cc1ccccc1 34a_100011934205_200011218536 [0,1,0,0,0,0|3,0,0]=4 1473 B15R1.809 CSCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100011216314 [0,1,0,0,0,0|3,0,0]=4 1474 B15R1.809 CSCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100011216314 [0,1,0,0,0,0|3,0,0]=4 1475 B15R1.809 C[C@@H](CC#N)NC(=O)C[n+]1ccccc1 11a_100016994482_200000086051 [0,1,0,0,0,0|2,0,1]=4 1476 B15R1.809 C[C@@H](CC#N)NC(=O)C[n+]1ccccc1 240690a_100016994482_200000086051 [0,1,0,0,0,0|2,0,1]=4 1477 B15R1.809 C[C@@H](CC#N)NC(=O)C[n+]1ccccc1 527a_100016994482_200000086051 [0,1,0,0,0,0|2,0,1]=4 1478 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccccn1 11a_100016994482_100000233486 [0,1,0,0,0,0|2,0,1]=4 1479 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1cccnc1 11a_100016994482_100000737805 [0,1,0,0,0,0|2,0,1]=4 1480 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1cccnc1 240690a_100016994482_100000737805 [0,1,0,0,0,0|2,0,1]=4 1481 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1cccnc1 527a_100016994482_100000737805 [0,1,0,0,0,0|2,0,1]=4 1482 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccncc1 11a_100016994482_100011201483 [0,1,0,0,0,0|2,0,1]=4 1483 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccncc1 240690a_100016994482_100011201483 [0,1,0,0,0,0|2,0,1]=4 1484 B15R1.809 C[C@@H](CC#N)NC(=O)Nc1ccccc1 2430a_100000106764_100016994482 [0,1,0,0,0,0|2,0,1]=4 1485 B15R1.964 C#CC(C)OCC(C)Cc1ccccc1 34a_100012125295_200000035995 [0,1,0,0,0,0|3,0,0]=4 1486 B15R1.964 C=C(C#N)CNC(C)Cc1ccccn1 2230a_100000238496_100000694840 [0,1,0,0,0,0|1,0,1]=3 1487 B15R1.964 C=C(C#N)CNC(C)Cc1cccnc1 2230a_100011207255_100000694840 [0,1,0,0,0,0|1,0,1]=3 1488 B15R1.964 C=C(C#N)CNC(C)Cc1cnccn1 2230a_100011277835_100000694840 [0,1,0,0,0,0|2,0,1]=4 1489 B15R1.964 C=C(C#N)COC(C)Cc1ccccc1 34a_100000748627_100000694840 [0,1,0,0,0,0|1,0,1]=3 1490 B15R1.964 C=C(C#N)CSC(C)Cc1ccccc1 62a_200011218536_100000694840 [0,1,0,0,0,0|1,0,1]=3 1491 B15R1.964 C=CC(C)COC(C)Cc1ccccc1 34a_100011215527_200011218536 [0,1,0,0,0,0|2,0,1]=4 1492 B15R1.964 C=CC(C)COC(C)Cc1ccccc1 7a_100011215527_200011218536 [0,1,0,0,0,0|2,0,1]=4 1493 B15R1.964 C=CC(O)CNC(C)Cc1ccccn1 2230a_100000238496_100000730141 [0,1,0,0,0,0|2,0,1]=4 1494 B15R1.964 C=CC(O)CNC(C)Cc1cccnc1 2230a_100011207255_100000730141 [0,1,0,0,0,0|2,0,1]=4 1495 B15R1.964 C=CC(O)COC(C)Cc1ccccc1 34a_100000748627_100000730141 [0,1,0,0,0,0|2,0,1]=4 1496 B15R1.964 C=CC(O)COC(C)Cc1ccccc1 7a_100000748627_100000730141 [0,1,0,0,0,0|2,0,1]=4 1497 B15R1.964 C=CC(O)CSC(C)Cc1ccccc1 62a_100000730141_200011218536 [0,1,0,0,0,0|2,0,1]=4 1498 B15R1.964 C=CC(O)CSC(C)Cc1ccccc1 62a_200011218536_100000730141 [0,1,0,0,0,0|2,0,1]=4 1499 B15R1.964 C=C[C@H](N)COC(C)Cc1ccccc1 34a_100016989147_200011218536 [0,1,0,0,0,0|2,0,1]=4 1500 B15R1.964 CC(C#N)NCC(C)Oc1ccccc1 2230a_100000755676_100000184139 [0,1,0,0,0,0|3,0,0]=4 1501 B15R1.964 CC(C#N)NCC(O)Cc1ccccc1 2230a_100000752270_100000184139 [0,1,0,0,0,0|3,0,0]=4 1502 B15R1.964 CC(C#N)NC[C@@H](O)Cc1ccccc1 2230a_100000737613_100000729385 [0,1,0,0,0,0|3,0,0]=4 1503 B15R1.964 CC(C#N)OCC(C)Oc1ccccc1 7a_200000036796_100000703298 [0,1,0,0,0,0|3,0,0]=4 1504 B15R1.964 CC(C#N)OC[C@@H](O)Cc1ccccc1 34a_100011218135_100000729385 [0,1,0,0,0,0|3,0,0]=4 1505 B15R1.964 CC(C#N)SC[C@@H](O)Cc1ccccc1 62a_100000703298_100000729385 [0,1,0,0,0,0|3,0,0]=4 1506 B15R1.964 CC(C#N)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100000703298 [0,1,0,0,0,0|3,0,0]=4 1507 B15R1.964 CC(CN)COC(C)Cc1ccccc1 34a_100000744482_200011218536 [0,1,0,0,0,0|1,0,2]=4 1508 B15R1.964 CC(CO)CNC(C)Cc1ccccc1 34a_100000744482_200011218536 [0,1,0,0,0,0|1,0,1]=3 1509 B15R1.964 CC(COC(C)C#N)Cc1ccccc1 7a_100012125295_100000703298 [0,1,0,0,0,0|2,0,0]=3 1510 B15R1.964 CC(C[n+]1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000034229 [0,1,0,0,0,0|2,0,1]=4 1511 B15R1.964 CC(Cc1ccccc1)NC[C@@H](F)CO 34a_100015665980_200011218536 [0,1,0,0,0,0|1,0,1]=3 1512 B15R1.964 CC(Cc1ccccc1)OCC(Cl)CCl 34a_100000033668_200011218536 [0,1,0,0,0,0|2,0,1]=4 1513 B15R1.964 CC(Cc1ccccc1)OCC(O)CO 34a_100000748627_100011219619 [0,1,0,0,0,0|2,0,1]=4 1514 B15R1.964 CC(Cc1ccccc1)OCC(O)CO 7a_100000748627_100011219619 [0,1,0,0,0,0|2,0,1]=4 1515 B15R1.964 CC(Cc1ccccc1)OC[C@@H](C)CO 34a_100000748627_100000059175 [0,1,0,0,0,0|2,0,1]=4 1516 B15R1.964 CC(Cc1ccccc1)OC[C@@H](C)CO 7a_100000748627_100000059175 [0,1,0,0,0,0|2,0,1]=4 1517 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CF 34a_100000748627_100015614560 [0,1,0,0,0,0|2,0,1]=4 1518 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CF 7a_100000748627_100015614560 [0,1,0,0,0,0|2,0,1]=4 1519 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CO 34a_100000748627_100009815848 [0,1,0,0,0,0|2,0,1]=4 1520 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CO 7a_100000748627_100009815848 [0,1,0,0,0,0|2,0,1]=4 1521 B15R1.964 CC(Cc1ccccc1)OC[C@H](F)CN 34a_100015665980_200011218536 [0,1,0,0,0,0|1,0,2]=4 1522 B15R1.964 CC(Cc1ccccc1)SCC(O)CO 62a_100011219619_200011218536 [0,1,0,0,0,0|2,0,1]=4 1523 B15R1.964 CC(Cc1ccccc1)SCC(O)CO 62a_200011218536_100011219619 [0,1,0,0,0,0|2,0,1]=4 1524 B15R1.964 CC(Cc1ccccc1)SC[C@@H](C)CO 62a_100000059175_200011218536 [0,1,0,0,0,0|2,0,1]=4 1525 B15R1.964 CC(Cc1ccccc1)SC[C@@H](C)CO 62a_200011218536_100000059175 [0,1,0,0,0,0|2,0,1]=4 1526 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CF 62a_100015614560_200011218536 [0,1,0,0,0,0|2,0,1]=4 1527 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CF 62a_200011218536_100015614560 [0,1,0,0,0,0|2,0,1]=4 1528 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CO 62a_100009815848_200011218536 [0,1,0,0,0,0|2,0,1]=4 1529 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CO 62a_200011218536_100009815848 [0,1,0,0,0,0|2,0,1]=4 1530 B15R1.964 CC(Cc1ccccn1)NCC(O)CO 2230a_100000238496_100011219619 [0,1,0,0,0,0|2,0,1]=4 1531 B15R1.964 CC(Cc1ccccn1)NC[C@@H](C)CO 2230a_100000238496_100000059175 [0,1,0,0,0,0|2,0,1]=4 1532 B15R1.964 CC(Cc1ccccn1)NC[C@@H](O)CF 2230a_100000238496_100015614560 [0,1,0,0,0,0|2,0,1]=4 1533 B15R1.964 CC(Cc1ccccn1)NC[C@@H](O)CO 2230a_100000238496_100009815848 [0,1,0,0,0,0|2,0,1]=4 1534 B15R1.964 CC(Cc1cccnc1)NCC(O)CO 2230a_100011207255_100011219619 [0,1,0,0,0,0|2,0,1]=4 1535 B15R1.964 CC(Cc1cccnc1)NC[C@@H](C)CO 2230a_100011207255_100000059175 [0,1,0,0,0,0|2,0,1]=4 1536 B15R1.964 CC(Cc1cccnc1)NC[C@@H](F)CO 270004a_100015665980_100015187140 [0,1,0,0,0,0|2,0,1]=4 1537 B15R1.964 CC(Cc1cccnc1)NC[C@@H](O)CF 2230a_100011207255_100015614560 [0,1,0,0,0,0|2,0,1]=4 1538 B15R1.964 CC(Cc1cccnc1)NC[C@@H](O)CO 2230a_100011207255_100009815848 [0,1,0,0,0,0|2,0,1]=4 1539 B15R1.964 CC(Cc1ccncc1)NC[C@@H](F)CO 270004a_100015665980_100000238508 [0,1,0,0,0,0|2,0,1]=4 1540 B15R1.964 CCC(C)CNC(C)C[n+]1ccccc1 270004a_100020588543_100000034229 [0,1,0,0,0,0|2,0,1]=4 1541 B15R1.964 CCC(C)CNC(C)Cc1ccccn1 2230a_100000238496_100000748023 [0,1,0,0,0,0|2,0,1]=4 1542 B15R1.964 CCC(C)CNC(C)Cc1ccccn1 270004a_100000238496_100000243153 [0,1,0,0,0,0|2,0,1]=4 1543 B15R1.964 CCC(C)CNC(C)Cc1cccnc1 2230a_100011207255_100000748023 [0,1,0,0,0,0|2,0,1]=4 1544 B15R1.964 CCC(C)CNC(C)Cc1cccnc1 270004a_100011207255_100000243153 [0,1,0,0,0,0|2,0,1]=4 1545 B15R1.964 CCC(C)CNC(C)Cc1cccnc1 270004a_100020588543_100015187140 [0,1,0,0,0,0|2,0,1]=4 1546 B15R1.964 CCC(C)CNC(C)Cc1ccncc1 270004a_100020588543_100000238508 [0,1,0,0,0,0|2,0,1]=4 1547 B15R1.964 CCC(C)COC(C)Cc1ccccc1 34a_100000748627_100000748023 [0,1,0,0,0,0|2,0,1]=4 1548 B15R1.964 CCC(C)COC(C)Cc1ccccc1 7a_100000748627_100000748023 [0,1,0,0,0,0|2,0,1]=4 1549 B15R1.964 CCC(C)CSC(C)Cc1ccccc1 62a_100000748023_200011218536 [0,1,0,0,0,0|2,0,1]=4 1550 B15R1.964 CCC(C)CSC(C)Cc1ccccc1 62a_200011218536_100000748023 [0,1,0,0,0,0|2,0,1]=4 1551 B15R1.964 CCC(O)CNC(C)C[n+]1ccccc1 270004a_100011218483_100000034229 [0,1,0,0,0,0|2,0,1]=4 1552 B15R1.964 CCC(O)CNC(C)Cc1ccccn1 2230a_100000238496_100011218378 [0,1,0,0,0,0|2,0,1]=4 1553 B15R1.964 CCC(O)CNC(C)Cc1cccnc1 2230a_100011207255_100011218378 [0,1,0,0,0,0|2,0,1]=4 1554 B15R1.964 CCC(O)CNC(C)Cc1cccnc1 270004a_100011218483_100015187140 [0,1,0,0,0,0|2,0,1]=4 1555 B15R1.964 CCC(O)CNC(C)Cc1ccncc1 270004a_100011218483_100000238508 [0,1,0,0,0,0|2,0,1]=4 1556 B15R1.964 CCC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218378 [0,1,0,0,0,0|2,0,1]=4 1557 B15R1.964 CCC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218378 [0,1,0,0,0,0|2,0,1]=4 1558 B15R1.964 CCC(O)CSC(C)Cc1ccccc1 62a_100011218378_200011218536 [0,1,0,0,0,0|2,0,1]=4 1559 B15R1.964 CCC(O)CSC(C)Cc1ccccc1 62a_200011218536_100011218378 [0,1,0,0,0,0|2,0,1]=4 1560 B15R1.964 CC[C@H](C)CNC(C)Cc1ccccn1 2230a_100000238496_100009816398 [0,1,0,0,0,0|2,0,1]=4 1561 B15R1.964 CC[C@H](C)CNC(C)Cc1cccnc1 2230a_100011207255_100009816398 [0,1,0,0,0,0|2,0,1]=4 1562 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 34a_100000748627_100009816398 [0,1,0,0,0,0|2,0,1]=4 1563 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 7a_100000748627_100009816398 [0,1,0,0,0,0|2,0,1]=4 1564 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 7a_100009816381_200011218536 [0,1,0,0,0,0|2,0,1]=4 1565 B15R1.964 CC[C@H](C)CSC(C)Cc1ccccc1 62a_100009816398_200011218536 [0,1,0,0,0,0|2,0,1]=4 1566 B15R1.964 CC[C@H](C)CSC(C)Cc1ccccc1 62a_200011218536_100009816398 [0,1,0,0,0,0|2,0,1]=4 1567 B15R1.964 COC(C)COC(C)Cc1ccccc1 34a_100000690652_200011218536 [0,1,0,0,0,0|3,0,0]=4 1568 B15R1.964 CO[C@H](C)CNC(C)C[n+]1ccccc1 270004a_100020591295_100000034229 [0,1,0,0,0,0|3,0,0]=4 1569 B15R1.964 CO[C@H](C)CNC(C)Cc1cccnc1 270004a_100020591295_100015187140 [0,1,0,0,0,0|3,0,0]=4 1570 B15R1.964 CO[C@H](C)CNC(C)Cc1ccncc1 270004a_100020591295_100000238508 [0,1,0,0,0,0|3,0,0]=4 1571 B15R1.964 N#CC(F)SC[C@@H](O)Cc1ccccc1 62a_100000729385_200000117898 [0,1,0,0,0,0|3,0,0]=4 1572 B15R1.964 N#CC(F)SC[C@@H](O)Cc1ccccc1 62a_200000117898_100000729385 [0,1,0,0,0,0|3,0,0]=4 1573 B15R1.1035 C#CC(Cc1ccccc1)OCCC#N 7a_100000685211_100000184422 [0,1,0,0,0,0|1,0,1]=3 1574 B15R1.1035 C#CCCCN(CC)Cc1ccccc1 2230a_100000186914_100000731252 [0,1,0,0,0,0|3,0,0]=4 1575 B15R1.1035 C#CCCCN(CC)Cc1ccccc1 269982a_100000186914_100011215417 [0,1,0,0,0,0|3,0,0]=4 1576 B15R1.1035 C#CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000688953 [0,1,0,0,0,0|1,0,1]=3 1577 B15R1.1035 C#CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000688953 [0,1,0,0,0,0|1,0,0]=2 1578 B15R1.1035 C#CCCNC(CO)Cc1cccnc1 2230a_100000717814_100000688953 [0,1,0,0,0,0|2,0,0]=3 1579 B15R1.1035 C#CCCNC(CO)Cc1ccncc1 2230a_100000717866_100000688953 [0,1,0,0,0,0|2,0,0]=3 1580 B15R1.1035 C#CCCOC(C#C)Cc1ccccc1 34a_100000685211_100000688953 [0,1,0,0,0,0|2,0,1]=4 1581 B15R1.1035 C#CCCOC(C#C)Cc1ccccc1 7a_100000685211_100000688953 [0,1,0,0,0,0|2,0,1]=4 1582 B15R1.1035 C#CCCOC(CC)Cc1ccccc1 7a_100000760156_100000688953 [0,1,0,0,0,0|2,0,0]=3 1583 B15R1.1035 C#CCCOC(CN)Cc1ccccc1 34a_100000752270_100000688953 [0,1,0,0,0,0|2,0,0]=3 1584 B15R1.1035 C#CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000688953 [0,1,0,0,0,0|2,0,0]=3 1585 B15R1.1035 C#CCCSC(C#N)Cc1ccccc1 62a_100000183401_100000688953 [0,1,0,0,0,0|2,0,1]=4 1586 B15R1.1035 C#CCCSC(C#N)Cc1ccccc1 62a_100000688953_100000183401 [0,1,0,0,0,0|2,0,1]=4 1587 B15R1.1035 C#CCNCC(CO)Cc1ccccc1 34a_100160572655_100000184674 [0,1,0,0,0,0|3,0,0]=4 1588 B15R1.1035 C#CCOCC(CN)Cc1ccccc1 34a_100160572655_100000184674 [0,1,0,0,0,0|3,0,0]=4 1589 B15R1.1035 C#CCOC[C@H](Cc1ccccc1)NC 34a_100016995599_100000184674 [0,1,0,0,0,0|3,0,0]=4 1590 B15R1.1035 C=CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000754431 [0,1,0,0,0,0|1,0,2]=4 1591 B15R1.1035 C=CCCNC(CC)Cc1ccccc1 270004a_100015191253_100000212045 [0,1,0,0,0,0|1,0,1]=3 1592 B15R1.1035 C=CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000754431 [0,1,0,0,0,0|1,0,1]=3 1593 B15R1.1035 C=CCCNC(CO)Cc1cccnc1 2230a_100000717814_100000754431 [0,1,0,0,0,0|2,0,1]=4 1594 B15R1.1035 C=CCCNC(CO)Cc1ccncc1 2230a_100000717866_100000754431 [0,1,0,0,0,0|2,0,1]=4 1595 B15R1.1035 C=CCCOC(CC)Cc1ccccc1 7a_100000760156_100000754431 [0,1,0,0,0,0|2,0,1]=4 1596 B15R1.1035 C=CCCOC(CN)Cc1ccccc1 34a_100000752270_100000754431 [0,1,0,0,0,0|2,0,1]=4 1597 B15R1.1035 C=CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000754431 [0,1,0,0,0,0|2,0,1]=4 1598 B15R1.1035 CC#CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000748600 [0,1,0,0,0,0|1,0,2]=4 1599 B15R1.1035 CC#CCNC(CO)Cc1ccccc1 2230a_100000739027_100000748600 [0,1,0,0,0,0|1,0,1]=3 1600 B15R1.1035 CC#CCNC(CO)Cc1cccnc1 2230a_100000717814_100000748600 [0,1,0,0,0,0|2,0,1]=4 1601 B15R1.1035 CC#CCNC(CO)Cc1ccncc1 2230a_100000717866_100000748600 [0,1,0,0,0,0|2,0,1]=4 1602 B15R1.1035 CC#CCOC(CC)Cc1ccccc1 7a_100000760156_100000748600 [0,1,0,0,0,0|2,0,1]=4 1603 B15R1.1035 CC#CCOC(CN)Cc1ccccc1 34a_100000752270_100000748600 [0,1,0,0,0,0|2,0,1]=4 1604 B15R1.1035 CC#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000748600 [0,1,0,0,0,0|2,0,1]=4 1605 B15R1.1035 CC=CCNC(CO)Cc1ccccc1 2230a_100000739027_100000070051 [0,1,0,0,0,0|1,0,2]=4 1606 B15R1.1035 CCC(Cc1ccccc1)NCCC#N 270004a_100000720768_100000212045 [0,1,0,0,0,0|0,0,0]=1 1607 B15R1.1035 CCC(Cc1ccccc1)NCCCF 270004a_100015189416_100000212045 [0,1,0,0,0,0|1,0,1]=3 1608 B15R1.1035 CCC(Cc1ccccc1)NCCCO 270004a_100000182051_100000212045 [0,1,0,0,0,0|1,0,1]=3 1609 B15R1.1035 CCC(Cc1ccccc1)NCCOC 270004a_100000209980_100000212045 [0,1,0,0,0,0|2,0,0]=3 1610 B15R1.1035 CCC(Cc1ccccc1)NCCSC 270004a_100020590264_100000212045 [0,1,0,0,0,0|2,0,0]=3 1611 B15R1.1035 CCC(Cc1ccccc1)OCCC#N 7a_100000760156_100000184422 [0,1,0,0,0,0|1,0,0]=2 1612 B15R1.1035 CCC(Cc1ccccc1)OCCCF 7a_100000760156_100011934791 [0,1,0,0,0,0|2,0,1]=4 1613 B15R1.1035 CCC(Cc1ccccc1)OCCCO 7a_100000760156_100011215043 [0,1,0,0,0,0|2,0,1]=4 1614 B15R1.1035 CCC(Cc1ccccc1)OCCOC 7a_100000760156_100000233755 [0,1,0,0,0,0|3,0,0]=4 1615 B15R1.1035 CCC(Cc1ccccc1)OCCSC 7a_100000760156_100000212216 [0,1,0,0,0,0|3,0,0]=4 1616 B15R1.1035 CCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210211 [0,1,0,0,0,0|1,0,2]=4 1617 B15R1.1035 CCCCNC(C#N)Cc1ccccc1 7a_106832991798_100000183401 [0,1,0,0,0,0|1,0,2]=4 1618 B15R1.1035 CCCCNC(CC)Cc1ccccc1 270004a_100000102301_100000212045 [0,1,0,0,0,0|1,0,1]=3 1619 B15R1.1035 CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210211 [0,1,0,0,0,0|1,0,1]=3 1620 B15R1.1035 CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210211 [0,1,0,0,0,0|2,0,1]=4 1621 B15R1.1035 CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210211 [0,1,0,0,0,0|2,0,1]=4 1622 B15R1.1035 CCCCOC(CC)Cc1ccccc1 7a_100000760156_100000210211 [0,1,0,0,0,0|2,0,1]=4 1623 B15R1.1035 CCCCOC(CN)Cc1ccccc1 34a_100000752270_100000210210 [0,1,0,0,0,0|2,0,1]=4 1624 B15R1.1035 CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210211 [0,1,0,0,0,0|2,0,1]=4 1625 B15R1.1035 CCN(CCCC#N)Cc1ccccc1 2230a_100000186914_100000687738 [0,1,0,0,0,0|2,0,0]=3 1626 B15R1.1035 CCN(CCCC#N)Cc1ccccc1 269982a_100000186914_100000687738 [0,1,0,0,0,0|2,0,0]=3 1627 B15R1.1035 CCN(CCCC#N)Cc1ccccn1 2230a_100000201164_100000687738 [0,1,0,0,0,0|3,0,0]=4 1628 B15R1.1035 CCN(CCCC#N)Cc1ccccn1 269982a_100000201164_100000687738 [0,1,0,0,0,0|3,0,0]=4 1629 B15R1.1035 CCN(CCCC#N)Cc1cccnc1 2230a_100000186920_100000687738 [0,1,0,0,0,0|3,0,0]=4 1630 B15R1.1035 CCN(CCCC#N)Cc1cccnc1 269982a_100000186920_100000687738 [0,1,0,0,0,0|3,0,0]=4 1631 B15R1.1035 CCN(CCCC#N)Cc1ccncc1 2230a_100000186919_100000687738 [0,1,0,0,0,0|3,0,0]=4 1632 B15R1.1035 CCN(CCCC#N)Cc1ccncc1 269982a_100000186919_100000687738 [0,1,0,0,0,0|3,0,0]=4 1633 B15R1.1035 CCN(CCSC#N)Cc1ccccc1 269982a_100000186914_100000034367 [0,1,0,0,0,0|3,0,0]=4 1634 B15R1.1035 COCCNC(C#N)Cc1ccccc1 2230a_100000746547_100011201679 [0,1,0,0,0,0|2,0,1]=4 1635 B15R1.1035 COCCNC(CO)Cc1ccccc1 2230a_100000739027_100011201679 [0,1,0,0,0,0|2,0,0]=3 1636 B15R1.1035 COCCNC(CO)Cc1cccnc1 2230a_100000717814_100011201679 [0,1,0,0,0,0|3,0,0]=4 1637 B15R1.1035 COCCNC(CO)Cc1ccncc1 2230a_100000717866_100011201679 [0,1,0,0,0,0|3,0,0]=4 1638 B15R1.1035 COCCOC(CN)Cc1ccccc1 34a_100000752270_100011201679 [0,1,0,0,0,0|3,0,0]=4 1639 B15R1.1035 COCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000233755 [0,1,0,0,0,0|3,0,0]=4 1640 B15R1.1035 CSCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000751147 [0,1,0,0,0,0|2,0,1]=4 1641 B15R1.1035 CSCCNC(CO)Cc1ccccc1 2230a_100000739027_100000751147 [0,1,0,0,0,0|2,0,0]=3 1642 B15R1.1035 CSCCNC(CO)Cc1cccnc1 2230a_100000717814_100000751147 [0,1,0,0,0,0|3,0,0]=4 1643 B15R1.1035 CSCCNC(CO)Cc1ccncc1 2230a_100000717866_100000751147 [0,1,0,0,0,0|3,0,0]=4 1644 B15R1.1035 CSCCOC(CN)Cc1ccccc1 34a_100000752270_100000212216 [0,1,0,0,0,0|3,0,0]=4 1645 B15R1.1035 CSCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000212216 [0,1,0,0,0,0|3,0,0]=4 1646 B15R1.1035 FCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011934791 [0,1,0,0,0,0|2,0,1]=4 1647 B15R1.1035 N#CC(Cc1ccccc1)NCCCF 2230a_100000746547_100011934791 [0,1,0,0,0,0|1,0,2]=4 1648 B15R1.1035 N#CC(Cc1ccccc1)NCCCO 2230a_100000746547_100000230001 [0,1,0,0,0,0|1,0,2]=4 1649 B15R1.1035 N#CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100011215226 [0,1,0,0,0,0|0,0,1]=2 1650 B15R1.1035 N#CCCNC(CO)Cc1ccccc1 2230a_100000739027_100011215226 [0,1,0,0,0,0|0,0,0]=1 1651 B15R1.1035 N#CCCNC(CO)Cc1cccnc1 2230a_100000717814_100011215226 [0,1,0,0,0,0|1,0,0]=2 1652 B15R1.1035 N#CCCNC(CO)Cc1ccncc1 2230a_100000717866_100011215226 [0,1,0,0,0,0|1,0,0]=2 1653 B15R1.1035 N#CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000184422 [0,1,0,0,0,0|1,0,0]=2 1654 B15R1.1035 N#CCCSC(C#N)Cc1ccccc1 62a_100000183401_100011215226 [0,1,0,0,0,0|1,0,1]=3 1655 B15R1.1035 N#CCCSC(C#N)Cc1ccccc1 62a_100011215226_100000183401 [0,1,0,0,0,0|1,0,1]=3 1656 B15R1.1035 N#CCOCC(C#N)Cc1ccccc1 7a_100000684917_100011215382 [0,1,0,0,0,0|2,0,1]=4 1657 B15R1.1035 N#CSCSC(C#N)Cc1ccccc1 62a_100000183401_100000211825 [0,1,0,0,0,0|2,0,1]=4 1658 B15R1.1035 N#CSCSC(C#N)Cc1ccccc1 62a_100000211825_100000183401 [0,1,0,0,0,0|2,0,1]=4 1659 B15R1.1035 NCC(Cc1ccccc1)OCCCF 34a_100000752270_100011934791 [0,1,0,0,0,0|2,0,1]=4 1660 B15R1.1035 NCC(Cc1ccccc1)OCCCO 34a_100000752270_100000230001 [0,1,0,0,0,0|2,0,1]=4 1661 B15R1.1035 OCC(Cc1ccccc1)NCCCF 2230a_100000739027_100011934791 [0,1,0,0,0,0|1,0,1]=3 1662 B15R1.1035 OCC(Cc1cccnc1)NCCCF 2230a_100000717814_100011934791 [0,1,0,0,0,0|2,0,1]=4 1663 B15R1.1035 OCC(Cc1ccncc1)NCCCF 2230a_100000717866_100011934791 [0,1,0,0,0,0|2,0,1]=4 1664 B15R1.1035 OCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000230001 [0,1,0,0,0,0|1,0,1]=3 1665 B15R1.1035 OCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000230001 [0,1,0,0,0,0|2,0,1]=4 1666 B15R1.1035 OCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000230001 [0,1,0,0,0,0|2,0,1]=4 1667 B15R1.1035 OCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215043 [0,1,0,0,0,0|2,0,1]=4 1668 B15R1.1081 C=C(Br)CCOC(C)Cc1ccccc1 34a_100009813270_200011218536 [0,1,0,0,0,0|2,0,1]=4 1669 B15R1.1081 C=C(C)CCNC(C)Cc1ccccn1 2230a_100000238496_100000730704 [0,1,0,0,0,0|2,0,1]=4 1670 B15R1.1081 C=C(C)CCNC(C)Cc1cccnc1 2230a_100011207255_100000730704 [0,1,0,0,0,0|2,0,1]=4 1671 B15R1.1081 C=C(C)CCOC(C)Cc1ccccc1 34a_100000748627_100000730704 [0,1,0,0,0,0|2,0,1]=4 1672 B15R1.1081 C=C(C)CCOC(C)Cc1ccccc1 34a_100000764851_200011218536 [0,1,0,0,0,0|2,0,1]=4 1673 B15R1.1081 C=C(C)CCOC(C)Cc1ccccc1 7a_100000748627_100000730704 [0,1,0,0,0,0|2,0,1]=4 1674 B15R1.1081 C=C(C)CCSC(C)Cc1ccccc1 62a_100000730704_200011218536 [0,1,0,0,0,0|2,0,1]=4 1675 B15R1.1081 C=C(C)CCSC(C)Cc1ccccc1 62a_200011218536_100000730704 [0,1,0,0,0,0|2,0,1]=4 1676 B15R1.1081 CC(=CCNC(C)Cc1ccccc1)C 34a_100000718196_200011218536 [0,1,0,0,0,0|1,0,2]=4 1677 B15R1.1081 CC(=O)CCOC(C)Cc1ccccc1 34a_100000759926_200011218536 [0,1,0,0,0,0|2,0,1]=4 1678 B15R1.1081 CC(=O)CCOC(C)Cc1ccccc1 7a_100000748627_100000053229 [0,1,0,0,0,0|2,0,1]=4 1679 B15R1.1081 CC(=O)CCOC(C)Cc1ccccc1 7a_100000759926_200011218536 [0,1,0,0,0,0|2,0,1]=4 1680 B15R1.1081 CC(=O)CCSC(C)Cc1ccccc1 62a_100000053229_200011218536 [0,1,0,0,0,0|2,0,1]=4 1681 B15R1.1081 CC(=O)CCSC(C)Cc1ccccc1 62a_200011218536_100000053229 [0,1,0,0,0,0|2,0,1]=4 1682 B15R1.1081 CC(Br)CCOC(C)Cc1ccccc1 34a_100009893172_200011218536 [0,1,0,0,0,0|2,0,1]=4 1683 B15R1.1081 CC(C)CCNC(C)C[n+]1ccccc1 270004a_100000210545_100000034229 [0,1,0,0,0,0|2,0,1]=4 1684 B15R1.1081 CC(C)CCNC(C)Cc1ccccn1 2230a_100000238496_100000210312 [0,1,0,0,0,0|2,0,1]=4 1685 B15R1.1081 CC(C)CCNC(C)Cc1ccccn1 269862a_100000238496_100000185833 [0,1,0,0,0,0|2,0,1]=4 1686 B15R1.1081 CC(C)CCNC(C)Cc1cccnc1 2230a_100011207255_100000210312 [0,1,0,0,0,0|2,0,1]=4 1687 B15R1.1081 CC(C)CCNC(C)Cc1cccnc1 269862a_100011207255_100000185833 [0,1,0,0,0,0|2,0,1]=4 1688 B15R1.1081 CC(C)CCNC(C)Cc1cccnc1 270004a_100000210545_100015187140 [0,1,0,0,0,0|2,0,1]=4 1689 B15R1.1081 CC(C)CCNC(C)Cc1ccncc1 270004a_100000210545_100000238508 [0,1,0,0,0,0|2,0,1]=4 1690 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000210254_200011218536 [0,1,0,0,0,0|2,0,1]=4 1691 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000748627_100000210312 [0,1,0,0,0,0|2,0,1]=4 1692 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000210254_200011218536 [0,1,0,0,0,0|2,0,1]=4 1693 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000748627_100000210626 [0,1,0,0,0,0|2,0,1]=4 1694 B15R1.1081 CC(C)CCSC(C)Cc1ccccc1 62a_100000210312_200011218536 [0,1,0,0,0,0|2,0,1]=4 1695 B15R1.1081 CC(C)CCSC(C)Cc1ccccc1 62a_200011218536_100000210312 [0,1,0,0,0,0|2,0,1]=4 1696 B15R1.1081 CC(C[n+]1ccccc1)NCCN(C)C 270004a_100000210585_100000034229 [0,1,0,0,0,0|3,0,0]=4 1697 B15R1.1081 CC(Cc1ccccc1)NOCC(=O)O 269956a_100000106656_200011218536 [0,1,0,0,0,0|2,0,1]=4 1698 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 34a_100000748627_100000731001 [0,1,0,0,0,0|1,0,2]=4 1699 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 34a_100000757172_200011218536 [0,1,0,0,0,0|1,0,2]=4 1700 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 7a_100000748627_100000744528 [0,1,0,0,0,0|1,0,2]=4 1701 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 7a_100000757172_200011218536 [0,1,0,0,0,0|1,0,2]=4 1702 B15R1.1081 CC(Cc1ccccc1)OCCC(F)F 34a_100103093639_200011218536 [0,1,0,0,0,0|2,0,1]=4 1703 B15R1.1081 CC(Cc1ccccc1)OCCN(C)C 7a_100000748627_100000755713 [0,1,0,0,0,0|3,0,0]=4 1704 B15R1.1081 CC(Cc1ccccc1)OCC[C@@H](C)N 34a_100000706166_200011218536 [0,1,0,0,0,0|1,0,2]=4 1705 B15R1.1081 CC(Cc1ccccc1)SCCC(=O)N 62a_100000744528_200011218536 [0,1,0,0,0,0|1,0,2]=4 1706 B15R1.1081 CC(Cc1ccccc1)SCCC(=O)N 62a_200011218536_100000744528 [0,1,0,0,0,0|1,0,2]=4 1707 B15R1.1081 CC(Cc1ccccc1)SCCN(C)C 62a_200011218536_100000755713 [0,1,0,0,0,0|3,0,0]=4 1708 B15R1.1081 CC(Cc1ccccn1)NCCC(=O)N 2230a_100000238496_100000744528 [0,1,0,0,0,0|1,0,2]=4 1709 B15R1.1081 CC(Cc1cccnc1)NCCC(=O)N 2230a_100011207255_100000744528 [0,1,0,0,0,0|1,0,2]=4 1710 B15R1.1081 CC(Cc1cccnc1)NCCN(C)C 270004a_100000210585_100015187140 [0,1,0,0,0,0|3,0,0]=4 1711 B15R1.1081 CC(Cc1ccncc1)NCCN(C)C 270004a_100000210585_100000238508 [0,1,0,0,0,0|3,0,0]=4 1712 B15R1.1081 CC(O)CCNC(C)C[n+]1ccccc1 270004a_200000755665_100000034229 [0,1,0,0,0,0|2,0,1]=4 1713 B15R1.1081 CC(O)CCNC(C)Cc1ccccn1 2230a_100000238496_100012276601 [0,1,0,0,0,0|2,0,1]=4 1714 B15R1.1081 CC(O)CCNC(C)Cc1cccnc1 2230a_100011207255_100012276601 [0,1,0,0,0,0|2,0,1]=4 1715 B15R1.1081 CC(O)CCNC(C)Cc1cccnc1 270004a_200000755665_100015187140 [0,1,0,0,0,0|2,0,1]=4 1716 B15R1.1081 CC(O)CCNC(C)Cc1ccncc1 270004a_200000755665_100000238508 [0,1,0,0,0,0|2,0,1]=4 1717 B15R1.1081 CC(O)CCOC(C)Cc1ccccc1 34a_100000748627_100012276601 [0,1,0,0,0,0|2,0,1]=4 1718 B15R1.1081 CC(O)CCOC(C)Cc1ccccc1 7a_100000748627_100012276601 [0,1,0,0,0,0|2,0,1]=4 1719 B15R1.1081 CC(O)CCSC(C)Cc1ccccc1 62a_100012276601_200011218536 [0,1,0,0,0,0|2,0,1]=4 1720 B15R1.1081 CC(O)CCSC(C)Cc1ccccc1 62a_200011218536_100012276601 [0,1,0,0,0,0|2,0,1]=4 1721 B15R1.1409 C#CCCCN(C)Cc1ccccc1Br 2230a_100000184654_100000731252 [0,1,0,0,0,0|3,0,0]=4 1722 B15R1.1409 C#CCCCN(C)Cc1ccccc1Br 269982a_100000184654_100011215417 [0,1,0,0,0,0|3,0,0]=4 1723 B15R1.1409 C#CCCCN(C)Cc1ccccc1C 2230a_100000184421_100000731252 [0,1,0,0,0,0|3,0,0]=4 1724 B15R1.1409 C#CCCCN(C)Cc1ccccc1C 269982a_100000184421_100011215417 [0,1,0,0,0,0|3,0,0]=4 1725 B15R1.1409 C#CCCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000731252 [0,1,0,0,0,0|3,0,0]=4 1726 B15R1.1409 C#CCCCN(C)Cc1ccccc1Cl 269982a_100000184507_100011215417 [0,1,0,0,0,0|3,0,0]=4 1727 B15R1.1409 C#CCCCN(C)Cc1ccccc1F 2230a_100000742528_100000731252 [0,1,0,0,0,0|3,0,0]=4 1728 B15R1.1409 C#CCCCN(C)Cc1ccccc1F 269982a_100000742528_100011215417 [0,1,0,0,0,0|3,0,0]=4 1729 B15R1.1409 C#CCCCN(C)Cc1ccccc1F 34a_100000742528_100000695029 [0,1,0,0,0,0|3,0,0]=4 1730 B15R1.1409 C#CCCCN(C)Cc1ccccc1O 2230a_100015189988_100000731252 [0,1,0,0,0,0|3,0,0]=4 1731 B15R1.1409 C#CCCCN(C)Cc1ccccc1O 269982a_100015189988_100011215417 [0,1,0,0,0,0|3,0,0]=4 1732 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Br 11a_100000755551_100000751119 [0,1,0,0,0,0|2,0,1]=4 1733 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Br 240690a_100000755551_100000751119 [0,1,0,0,0,0|2,0,1]=4 1734 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Br 527a_100000755551_100000751119 [0,1,0,0,0,0|2,0,1]=4 1735 B15R1.1409 C#CCCNC(=O)Cc1ccccc1C 11a_100000755551_100000212180 [0,1,0,0,0,0|2,0,1]=4 1736 B15R1.1409 C#CCCNC(=O)Cc1ccccc1C 1626a_100000755551_100000212180 [0,1,0,0,0,0|2,0,1]=4 1737 B15R1.1409 C#CCCNC(=O)Cc1ccccc1C 240690a_100000755551_100000212180 [0,1,0,0,0,0|2,0,1]=4 1738 B15R1.1409 C#CCCNC(=O)Cc1ccccc1C 527a_100000755551_100000212180 [0,1,0,0,0,0|2,0,1]=4 1739 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Cl 11a_100000755551_100000183793 [0,1,0,0,0,0|2,0,1]=4 1740 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Cl 1626a_100000755551_100000183793 [0,1,0,0,0,0|2,0,1]=4 1741 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Cl 240690a_100000755551_100000183793 [0,1,0,0,0,0|2,0,1]=4 1742 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Cl 527a_100000755551_100000183793 [0,1,0,0,0,0|2,0,1]=4 1743 B15R1.1409 C#CCCNC(=O)Cc1ccccc1F 11a_100000755551_100000212012 [0,1,0,0,0,0|2,0,1]=4 1744 B15R1.1409 C#CCCNC(=O)Cc1ccccc1F 1626a_100000755551_100000212012 [0,1,0,0,0,0|2,0,1]=4 1745 B15R1.1409 C#CCCNC(=O)Cc1ccccc1F 240690a_100000755551_100000212012 [0,1,0,0,0,0|2,0,1]=4 1746 B15R1.1409 C#CCCNC(=O)Cc1ccccc1F 527a_100000755551_100000212012 [0,1,0,0,0,0|2,0,1]=4 1747 B15R1.1409 C#CCCNC(=O)Cc1ccccc1I 11a_100000755551_100000036491 [0,1,0,0,0,0|2,0,1]=4 1748 B15R1.1409 C#CCCNC(=O)Cc1ccccc1I 1626a_100000755551_100000036491 [0,1,0,0,0,0|2,0,1]=4 1749 B15R1.1409 C#CCCNC(=O)Cc1ccccc1I 240690a_100000755551_100000036491 [0,1,0,0,0,0|2,0,1]=4 1750 B15R1.1409 C#CCCNC(=O)Cc1ccccc1I 527a_100000755551_100000036491 [0,1,0,0,0,0|2,0,1]=4 1751 B15R1.1409 C#CCCNC(=O)Cc1ccccc1O 240690a_100000755551_100000743006 [0,1,0,0,0,0|2,0,1]=4 1752 B15R1.1409 C#CCCNC(=O)Cc1ccccc1O 527a_100000755551_100000743006 [0,1,0,0,0,0|2,0,1]=4 1753 B15R1.1409 C=CCCNC(C)Cc1ccccc1Br 270004a_100015191253_100011350739 [0,1,0,0,0,0|1,0,1]=3 1754 B15R1.1409 C=CCCNC(C)Cc1ccccc1C 270004a_100015191253_200000764500 [0,1,0,0,0,0|1,0,1]=3 1755 B15R1.1409 C=CCCNC(C)Cc1ccccc1Cl 270004a_100015191253_100000758791 [0,1,0,0,0,0|1,0,1]=3 1756 B15R1.1409 C=CCCNC(C)Cc1ccccc1F 270004a_100015191253_100000709178 [0,1,0,0,0,0|1,0,1]=3 1757 B15R1.1409 C=CCCNC(C)Cc1ncccc1C 270004a_100015191253_100011823981 [0,1,0,0,0,0|2,0,1]=4 1758 B15R1.1409 CC(CNCC#N)Oc1ccccc1Cl 2230a_100000763343_100011215382 [0,1,0,0,0,0|3,0,0]=4 1759 B15R1.1409 CC(Cc1ccccc1Br)NCCC#N 270004a_100000720768_100011350739 [0,1,0,0,0,0|0,0,0]=1 1760 B15R1.1409 CC(Cc1ccccc1Br)NCCCF 270004a_100015189416_100011350739 [0,1,0,0,0,0|1,0,1]=3 1761 B15R1.1409 CC(Cc1ccccc1Br)NCCCO 270004a_100000182051_100011350739 [0,1,0,0,0,0|1,0,1]=3 1762 B15R1.1409 CC(Cc1ccccc1Cl)NCCC#N 270004a_100000720768_100000758791 [0,1,0,0,0,0|0,0,0]=1 1763 B15R1.1409 CC(Cc1ccccc1Cl)NCCCF 270004a_100015189416_100000758791 [0,1,0,0,0,0|1,0,1]=3 1764 B15R1.1409 CC(Cc1ccccc1Cl)NCCCO 270004a_100000182051_100000758791 [0,1,0,0,0,0|1,0,1]=3 1765 B15R1.1409 CC(Cc1ccccc1F)NCCC#N 270004a_100000720768_100000709178 [0,1,0,0,0,0|0,0,0]=1 1766 B15R1.1409 CC(Cc1ccccc1F)NCCCF 270004a_100015189416_100000709178 [0,1,0,0,0,0|1,0,1]=3 1767 B15R1.1409 CC(Cc1ccccc1F)NCCCO 270004a_100000182051_100000709178 [0,1,0,0,0,0|1,0,1]=3 1768 B15R1.1409 CCCCNC(C)Cc1ccccc1Br 270004a_100000102301_100011350739 [0,1,0,0,0,0|1,0,1]=3 1769 B15R1.1409 CCCCNC(C)Cc1ccccc1C 270004a_100000102301_200000764500 [0,1,0,0,0,0|1,0,1]=3 1770 B15R1.1409 CCCCNC(C)Cc1ccccc1Cl 270004a_100000102301_100000758791 [0,1,0,0,0,0|1,0,1]=3 1771 B15R1.1409 CCCCNC(C)Cc1ccccc1F 270004a_100000102301_100000709178 [0,1,0,0,0,0|1,0,1]=3 1772 B15R1.1409 CCCCNC(C)Cc1ncccc1C 270004a_100000102301_100011823981 [0,1,0,0,0,0|2,0,1]=4 1773 B15R1.1409 CN(CCCC#N)Cc1ccccc1Br 2230a_100000184654_100000687738 [0,1,0,0,0,0|2,0,0]=3 1774 B15R1.1409 CN(CCCC#N)Cc1ccccc1Br 269982a_100000184654_100000687738 [0,1,0,0,0,0|2,0,0]=3 1775 B15R1.1409 CN(CCCC#N)Cc1ccccc1Cl 2230a_100000184507_100000687738 [0,1,0,0,0,0|2,0,0]=3 1776 B15R1.1409 CN(CCCC#N)Cc1ccccc1Cl 269982a_100000184507_100000687738 [0,1,0,0,0,0|2,0,0]=3 1777 B15R1.1409 CN(CCCC#N)Cc1ccccc1F 2230a_100000742528_100000687738 [0,1,0,0,0,0|2,0,0]=3 1778 B15R1.1409 CN(CCCC#N)Cc1ccccc1F 269982a_100000742528_100000687738 [0,1,0,0,0,0|2,0,0]=3 1779 B15R1.1409 CN(CCCC#N)Cc1ccccc1O 2230a_100015189988_100000687738 [0,1,0,0,0,0|2,0,0]=3 1780 B15R1.1409 CN(CCCC#N)Cc1ccccc1O 269982a_100015189988_100000687738 [0,1,0,0,0,0|2,0,0]=3 1781 B15R1.1409 CN(CCCC#N)Cc1cccnc1Cl 2230a_103496529121_100000687738 [0,1,0,0,0,0|3,0,0]=4 1782 B15R1.1409 CN(CCCC#N)Cc1cccnc1Cl 269982a_103496529121_100000687738 [0,1,0,0,0,0|3,0,0]=4 1783 B15R1.1409 CN(CCSC#N)Cc1ccccc1Br 269982a_100000184654_100000034367 [0,1,0,0,0,0|3,0,0]=4 1784 B15R1.1409 CN(CCSC#N)Cc1ccccc1Cl 269982a_100000184507_100000034367 [0,1,0,0,0,0|3,0,0]=4 1785 B15R1.1409 CN(CCSC#N)Cc1ccccc1F 269982a_100000742528_100000034367 [0,1,0,0,0,0|3,0,0]=4 1786 B15R1.1409 CN(CCSC#N)Cc1ccccc1O 269982a_100015189988_100000034367 [0,1,0,0,0,0|3,0,0]=4 1787 B15R1.1409 COCCNC(C)Cc1ccccc1Br 270004a_100000209980_100011350739 [0,1,0,0,0,0|2,0,0]=3 1788 B15R1.1409 COCCNC(C)Cc1ccccc1C 270004a_100000209980_200000764500 [0,1,0,0,0,0|2,0,0]=3 1789 B15R1.1409 COCCNC(C)Cc1ccccc1Cl 270004a_100000209980_100000758791 [0,1,0,0,0,0|2,0,0]=3 1790 B15R1.1409 COCCNC(C)Cc1ccccc1F 270004a_100000209980_100000709178 [0,1,0,0,0,0|2,0,0]=3 1791 B15R1.1409 COCCNC(C)Cc1ncccc1C 270004a_100000209980_100011823981 [0,1,0,0,0,0|3,0,0]=4 1792 B15R1.1409 CSCCNC(C)Cc1ccccc1Br 270004a_100020590264_100011350739 [0,1,0,0,0,0|2,0,0]=3 1793 B15R1.1409 CSCCNC(C)Cc1ccccc1C 270004a_100020590264_200000764500 [0,1,0,0,0,0|2,0,0]=3 1794 B15R1.1409 CSCCNC(C)Cc1ccccc1Cl 270004a_100020590264_100000758791 [0,1,0,0,0,0|2,0,0]=3 1795 B15R1.1409 CSCCNC(C)Cc1ccccc1F 270004a_100020590264_100000709178 [0,1,0,0,0,0|2,0,0]=3 1796 B15R1.1409 CSCCNC(C)Cc1ncccc1C 270004a_100020590264_100011823981 [0,1,0,0,0,0|3,0,0]=4 1797 B15R1.1409 Cc1ccccc1CC(=O)CCCC#N 1458a_100000075515_100000211839 [0,1,0,0,0,0|2,0,1]=4 1798 B15R1.1409 Cc1ccccc1CC(=O)CCCC#N 1458a_100000212180_100000211468 [0,1,0,0,0,0|2,0,1]=4 1799 B15R1.1409 Cc1ccccc1CC(=O)NCCC#N 11a_100000720768_100000212180 [0,1,0,0,0,0|1,0,1]=3 1800 B15R1.1409 Cc1ccccc1CC(=O)NCCC#N 1626a_100000720768_100000212180 [0,1,0,0,0,0|1,0,1]=3 1801 B15R1.1409 Cc1ccccc1CC(=O)NCCC#N 240690a_100000720768_100000212180 [0,1,0,0,0,0|1,0,1]=3 1802 B15R1.1409 Cc1ccccc1CC(=O)NCCC#N 527a_100000720768_100000212180 [0,1,0,0,0,0|1,0,1]=3 1803 B15R1.1409 Cc1ccccc1CC(C)NCCC#N 270004a_100000720768_200000764500 [0,1,0,0,0,0|0,0,0]=1 1804 B15R1.1409 Cc1ccccc1CC(C)NCCCF 270004a_100015189416_200000764500 [0,1,0,0,0,0|1,0,1]=3 1805 B15R1.1409 Cc1ccccc1CC(C)NCCCO 270004a_100000182051_200000764500 [0,1,0,0,0,0|1,0,1]=3 1806 B15R1.1409 Cc1ccccc1CN(C)CCCC#N 2230a_100000184421_100000687738 [0,1,0,0,0,0|2,0,0]=3 1807 B15R1.1409 Cc1ccccc1CN(C)CCCC#N 269982a_100000184421_100000687738 [0,1,0,0,0,0|2,0,0]=3 1808 B15R1.1409 Cc1ccccc1CN(C)CCSC#N 269982a_100000184421_100000034367 [0,1,0,0,0,0|3,0,0]=4 1809 B15R1.1409 Cc1ccccc1NC(=O)NCCC#N 2430a_100015192222_100000720768 [0,1,0,0,0,0|2,0,1]=4 1810 B15R1.1409 Cc1cccnc1CC(=O)NCCC#N 11a_100000720768_200000722269 [0,1,0,0,0,0|2,0,1]=4 1811 B15R1.1409 Cc1cccnc1CC(=O)NCCC#N 1626a_100000720768_200000722269 [0,1,0,0,0,0|2,0,1]=4 1812 B15R1.1409 Cc1cccnc1CC(=O)NCCC#N 240690a_100000720768_200000722269 [0,1,0,0,0,0|2,0,1]=4 1813 B15R1.1409 Cc1cccnc1CC(C)NCCC#N 270004a_100000720768_100011823981 [0,1,0,0,0,0|1,0,0]=2 1814 B15R1.1409 Cc1cccnc1CC(C)NCCCF 270004a_100015189416_100011823981 [0,1,0,0,0,0|2,0,1]=4 1815 B15R1.1409 Cc1cccnc1CC(C)NCCCO 270004a_100000182051_100011823981 [0,1,0,0,0,0|2,0,1]=4 1816 B15R1.1409 Cc1cnccc1CN(C)CCCC#N 2230a_100015187836_100000687738 [0,1,0,0,0,0|3,0,0]=4 1817 B15R1.1409 Cc1cnccc1CN(C)CCCC#N 269982a_100015187836_100000687738 [0,1,0,0,0,0|3,0,0]=4 1818 B15R1.1409 Cc1ncccc1CN(C)CCCC#N 2230a_200011875998_100000687738 [0,1,0,0,0,0|3,0,0]=4 1819 B15R1.1409 Cc1ncccc1CN(C)CCCC#N 269982a_200011875998_100000687738 [0,1,0,0,0,0|3,0,0]=4 1820 B15R1.1409 N#CCCCC(=O)Cc1ccccc1Br 1458a_100000075515_100000184730 [0,1,0,0,0,0|2,0,1]=4 1821 B15R1.1409 N#CCCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000211468 [0,1,0,0,0,0|2,0,1]=4 1822 B15R1.1409 N#CCCCC(=O)Cc1ccccc1Cl 1458a_100000075515_100000187162 [0,1,0,0,0,0|2,0,1]=4 1823 B15R1.1409 N#CCCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000211468 [0,1,0,0,0,0|2,0,1]=4 1824 B15R1.1409 N#CCCCC(=O)Cc1ccccc1F 1458a_100000075515_100000187165 [0,1,0,0,0,0|2,0,1]=4 1825 B15R1.1409 N#CCCCC(=O)Cc1ccccc1F 1458a_100000212012_100000211468 [0,1,0,0,0,0|2,0,1]=4 1826 B15R1.1409 N#CCCCC(=O)Cc1ccccc1I 1458a_100000036491_100000211468 [0,1,0,0,0,0|2,0,1]=4 1827 B15R1.1409 N#CCCCC(=O)Cc1ccccc1I 1458a_100000075515_100011216222 [0,1,0,0,0,0|2,0,1]=4 1828 B15R1.1409 N#CCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000211468 [0,1,0,0,0,0|2,0,1]=4 1829 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Br 11a_100000720768_100000751119 [0,1,0,0,0,0|1,0,1]=3 1830 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Br 240690a_100000720768_100000751119 [0,1,0,0,0,0|1,0,1]=3 1831 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Br 527a_100000720768_100000751119 [0,1,0,0,0,0|1,0,1]=3 1832 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Cl 11a_100000720768_100000183793 [0,1,0,0,0,0|1,0,1]=3 1833 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Cl 1626a_100000720768_100000183793 [0,1,0,0,0,0|1,0,1]=3 1834 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Cl 240690a_100000720768_100000183793 [0,1,0,0,0,0|1,0,1]=3 1835 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Cl 527a_100000720768_100000183793 [0,1,0,0,0,0|1,0,1]=3 1836 B15R1.1409 N#CCCNC(=O)Cc1ccccc1F 11a_100000720768_100000212012 [0,1,0,0,0,0|1,0,1]=3 1837 B15R1.1409 N#CCCNC(=O)Cc1ccccc1F 1626a_100000720768_100000212012 [0,1,0,0,0,0|1,0,1]=3 1838 B15R1.1409 N#CCCNC(=O)Cc1ccccc1F 240690a_100000720768_100000212012 [0,1,0,0,0,0|1,0,1]=3 1839 B15R1.1409 N#CCCNC(=O)Cc1ccccc1F 527a_100000720768_100000212012 [0,1,0,0,0,0|1,0,1]=3 1840 B15R1.1409 N#CCCNC(=O)Cc1ccccc1I 11a_100000720768_100000036491 [0,1,0,0,0,0|1,0,1]=3 1841 B15R1.1409 N#CCCNC(=O)Cc1ccccc1I 1626a_100000720768_100000036491 [0,1,0,0,0,0|1,0,1]=3 1842 B15R1.1409 N#CCCNC(=O)Cc1ccccc1I 240690a_100000720768_100000036491 [0,1,0,0,0,0|1,0,1]=3 1843 B15R1.1409 N#CCCNC(=O)Cc1ccccc1I 527a_100000720768_100000036491 [0,1,0,0,0,0|1,0,1]=3 1844 B15R1.1409 N#CCCNC(=O)Cc1ccccc1O 240690a_100000720768_100000743006 [0,1,0,0,0,0|1,0,1]=3 1845 B15R1.1409 N#CCCNC(=O)Cc1ccccc1O 527a_100000720768_100000743006 [0,1,0,0,0,0|1,0,1]=3 1846 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Cl 11a_100000720768_100000093521 [0,1,0,0,0,0|2,0,1]=4 1847 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Cl 1626a_100000720768_100000093521 [0,1,0,0,0,0|2,0,1]=4 1848 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Cl 240690a_100000720768_100000093521 [0,1,0,0,0,0|2,0,1]=4 1849 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Cl 527a_100000720768_100000093521 [0,1,0,0,0,0|2,0,1]=4 1850 B15R1.1409 N#CCCNC(=O)Cc1ncccc1Br 11a_100000720768_200012357574 [0,1,0,0,0,0|2,0,1]=4 1851 B15R1.1409 N#CCCNC(=O)Cc1ncccc1Br 240690a_100000720768_200012357574 [0,1,0,0,0,0|2,0,1]=4 1852 B15R1.1409 N#CCCNC(=O)Cc1ncccc1Cl 11a_100000720768_100011998755 [0,1,0,0,0,0|2,0,1]=4 1853 B15R1.1409 N#CCCNC(=O)Cc1ncccc1Cl 240690a_100000720768_100011998755 [0,1,0,0,0,0|2,0,1]=4 1854 B15R1.1409 N#CCCNC(=O)Cc1ncccc1Cl 527a_100000720768_100011998755 [0,1,0,0,0,0|2,0,1]=4 1855 B15R1.1409 N#CCCNC(=O)Cn1ccccc1=O 1626a_100000720768_100000189665 [0,1,0,0,0,0|2,0,1]=4 1856 B15R1.1409 N#CCCNC(=O)Cn1ccccc1=O 240690a_100000720768_100000189665 [0,1,0,0,0,0|2,0,1]=4 1857 B15R1.1409 N#CCCNC(=O)Cn1ccccc1=O 527a_100000720768_100000189665 [0,1,0,0,0,0|2,0,1]=4 1858 B15R1.1409 N#CCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100000720768 [0,1,0,0,0,0|2,0,1]=4 1859 B15R1.1409 N#CCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000720768 [0,1,0,0,0,0|2,0,1]=4 1860 B15R1.1409 N#CCCNC(=O)Nc1ccccc1F 2430a_100000210422_100000720768 [0,1,0,0,0,0|2,0,1]=4 1861 B15R1.1409 N#CCCNC(=O)Nc1ccccc1I 2430a_100000210053_100000720768 [0,1,0,0,0,0|2,0,1]=4 1862 B15R1.1409 N#CCCNC(=O)Nc1ccccc1O 2430a_100000185747_100000720768 [0,1,0,0,0,0|2,0,1]=4 1863 B15R1.2074 C#CCCNS(=O)(=O)Cc1ccccc1 274078a_100000755551_100000211737 [0,1,0,0,0,0|3,0,0]=4 1864 B15R1.2074 C#CCCNS(=O)(=O)Cc1ccccc1 40a_100000755551_100000235865 [0,1,0,0,0,0|3,0,0]=4 1865 B15R1.2074 C#CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000688953 [0,1,0,0,0,0|2,0,0]=3 1866 B15R1.2074 C=CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000754431 [0,1,0,0,0,0|2,0,1]=4 1867 B15R1.2074 CC#CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000748600 [0,1,0,0,0,0|2,0,1]=4 1868 B15R1.2074 CC(C)(Cc1ccccc1)OCCC#N 7a_100011215222_100000184422 [0,1,0,0,0,0|1,0,0]=2 1869 B15R1.2074 CC(C)(Cc1ccccc1)OCCCF 7a_100011215222_100011934791 [0,1,0,0,0,0|2,0,1]=4 1870 B15R1.2074 CC(C)(Cc1ccccc1)OCCCO 7a_100011215222_100011215043 [0,1,0,0,0,0|2,0,1]=4 1871 B15R1.2074 CCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210211 [0,1,0,0,0,0|2,0,1]=4 1872 B15R1.2074 COCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000233755 [0,1,0,0,0,0|3,0,0]=4 1873 B15R1.2074 CSCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000212216 [0,1,0,0,0,0|3,0,0]=4 1874 B15R1.2074 N#CCCNS(=O)(=O)Cc1ccccc1 274078a_100000720768_100000211737 [0,1,0,0,0,0|2,0,0]=3 1875 B15R1.2074 N#CCCNS(=O)(=O)Cc1ccccc1 40a_100000720768_100000235865 [0,1,0,0,0,0|2,0,0]=3 1876 B15R1.2074 N#CCCSC(F)(F)Oc1ccccc1 62a_100011215226_200000057402 [0,1,0,0,0,0|3,0,0]=4 1877 B15R1.2074 N#CCCSC(F)(F)Oc1ccccc1 62a_200000057402_100011215226 [0,1,0,0,0,0|3,0,0]=4 1878 B15R2.15 N#CC1CCN(C1)Cc2ccccc2 2230a_100016989334_100015291786 [0,0,0,1,0,0|2,0,0]=3 1879 B15R2.15 N#CC1CCN(C1)Cc2ccccc2 270004a_100016989334_100015611070 [0,0,0,1,0,0|2,0,0]=3 1880 B15R2.15 N#CC1CCN(C1)Cc2ccccn2 2230a_100016989334_100000721315 [0,0,0,1,0,0|3,0,0]=4 1881 B15R2.15 N#CC1CCN(C1)Cc2ccccn2 270004a_100016989334_100000209966 [0,0,0,1,0,0|3,0,0]=4 1882 B15R2.15 N#CC1CCN(C1)Cc2cccnc2 2230a_100016989334_100000741622 [0,0,0,1,0,0|3,0,0]=4 1883 B15R2.15 N#CC1CCN(C1)Cc2cccnc2 270004a_100016989334_100000209961 [0,0,0,1,0,0|3,0,0]=4 1884 B15R2.15 N#CC1CCN(C1)Cc2ccncc2 2230a_100016989334_100015193705 [0,0,0,1,0,0|3,0,0]=4 1885 B15R2.31 CN1CCCC(C1)Cc2ccccc2 2230a_100000752525_200000210301 [0,0,0,1,0,0|3,0,0]=4 1886 B15R2.31 CN1CCCC(C1)Cc2ccccc2 269982a_100000752525_200000210301 [0,0,0,1,0,0|3,0,0]=4 1887 B15R2.31 CN1CCCC(C1)Cc2ccccc2 34a_100000752525_200000210301 [0,0,0,1,0,0|3,0,0]=4 1888 B15R2.31 CN1CCOC(C1)Cc2ccccc2 2230a_100000697294_200000210301 [0,0,0,1,0,0|3,0,0]=4 1889 B15R2.31 CN1CCOC(C1)Cc2ccccc2 269982a_100000697294_200000210301 [0,0,0,1,0,0|3,0,0]=4 1890 B15R2.31 CN1CCOC(C1)Cc2ccccc2 34a_100000697294_200000210301 [0,0,0,1,0,0|3,0,0]=4 1891 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 2230a_100000752525_200025704644 [0,0,0,1,0,0|3,0,0]=4 1892 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 269982a_100000752525_200025704644 [0,0,0,1,0,0|3,0,0]=4 1893 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 34a_100000752525_200025704644 [0,0,0,1,0,0|3,0,0]=4 1894 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 2230a_100000697294_200025704644 [0,0,0,1,0,0|3,0,0]=4 1895 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 269982a_100000697294_200025704644 [0,0,0,1,0,0|3,0,0]=4 1896 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 34a_100000697294_200025704644 [0,0,0,1,0,0|3,0,0]=4 1897 B15R2.50 N#CCC1CN(C1)Cc2ccccc2 269982a_206645079572_100000211182 [0,0,0,1,0,0|2,0,0]=3 1898 B15R2.50 N#CCC1CN(C1)Cc2ccccc2 270004a_206645079572_100015611070 [0,0,0,1,0,0|2,0,0]=3 1899 B15R2.50 N#CCC1CN(C1)Cc2ccccn2 269982a_206645079572_100000721315 [0,0,0,1,0,0|3,0,0]=4 1900 B15R2.50 N#CCC1CN(C1)Cc2ccccn2 270004a_206645079572_100000209966 [0,0,0,1,0,0|3,0,0]=4 1901 B15R2.50 N#CCC1CN(C1)Cc2cccnc2 269982a_206645079572_100000733263 [0,0,0,1,0,0|3,0,0]=4 1902 B15R2.50 N#CCC1CN(C1)Cc2cccnc2 270004a_206645079572_100000209961 [0,0,0,1,0,0|3,0,0]=4 1903 B15R2.50 N#CCC1CN(C1)Cc2ccncc2 269982a_206645079572_100015193705 [0,0,0,1,0,0|3,0,0]=4 1904 B15R2.50 N#CCN1CC(C1)Oc2ccccc2 269982a_100000751016_100011214920 [0,0,0,1,0,0|3,0,0]=4 1905 B15R2.64 CC(C[n+]1ccccc1)N2CCCC2 270004a_100000188435_100000034229 [0,0,0,1,0,0|2,0,1]=4 1906 B15R2.64 CC(C[n+]1ccccc1)N2CCSC2 270004a_100011215254_100000034229 [0,0,0,1,0,0|3,0,0]=4 1907 B15R2.64 CC(Cc1ccccc1)N2CC=CC2 269982a_100015195280_200011218536 [0,0,0,1,0,0|1,0,2]=4 1908 B15R2.64 CC(Cc1ccccc1)N2CCCC2 269982a_100000188435_200011218536 [0,0,0,1,0,0|1,0,1]=3 1909 B15R2.64 CC(Cc1ccccc1)N2CCSC2 269982a_100011215254_200011218536 [0,0,0,1,0,0|2,0,0]=3 1910 B15R2.64 CC(Cc1cccnc1)N2CCCC2 270004a_100000188435_100015187140 [0,0,0,1,0,0|2,0,1]=4 1911 B15R2.64 CC(Cc1cccnc1)N2CCSC2 270004a_100011215254_100015187140 [0,0,0,1,0,0|3,0,0]=4 1912 B15R2.64 CC(Cc1ccncc1)N2CCCC2 270004a_100000188435_100000238508 [0,0,0,1,0,0|2,0,1]=4 1913 B15R2.64 CC(Cc1ccncc1)N2CCSC2 270004a_100011215254_100000238508 [0,0,0,1,0,0|3,0,0]=4 1914 B15R2.78 C#CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000688953 [0,0,0,1,0,0|1,0,0]=2 1915 B15R2.78 C#CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000730999 [0,0,0,1,0,0|1,0,0]=2 1916 B15R2.78 C#CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000688953 [0,0,0,1,0,0|1,0,0]=2 1917 B15R2.78 C/C=C/CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100102629194 [0,0,0,1,0,0|1,0,2]=4 1918 B15R2.78 C/C=C/CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100102629194 [0,0,0,1,0,0|1,0,2]=4 1919 B15R2.78 C=CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000754431 [0,0,0,1,0,0|1,0,1]=3 1920 B15R2.78 C=CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000754431 [0,0,0,1,0,0|1,0,1]=3 1921 B15R2.78 C=CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000754431 [0,0,0,1,0,0|1,0,1]=3 1922 B15R2.78 CC#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000748600 [0,0,0,1,0,0|1,0,1]=3 1923 B15R2.78 CC#CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000748600 [0,0,0,1,0,0|1,0,1]=3 1924 B15R2.78 CC=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000070051 [0,0,0,1,0,0|1,0,2]=4 1925 B15R2.78 CC=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000070051 [0,0,0,1,0,0|1,0,2]=4 1926 B15R2.78 CCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210211 [0,0,0,1,0,0|1,0,1]=3 1927 B15R2.78 CCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210211 [0,0,0,1,0,0|1,0,1]=3 1928 B15R2.78 CCCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210210 [0,0,0,1,0,0|1,0,1]=3 1929 B15R2.78 CCOCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000739092 [0,0,0,1,0,0|2,0,1]=4 1930 B15R2.78 COCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011201679 [0,0,0,1,0,0|2,0,0]=3 1931 B15R2.78 COCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000233755 [0,0,0,1,0,0|2,0,0]=3 1932 B15R2.78 COCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011201679 [0,0,0,1,0,0|2,0,0]=3 1933 B15R2.78 CSCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000751147 [0,0,0,1,0,0|2,0,0]=3 1934 B15R2.78 CSCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000212216 [0,0,0,1,0,0|2,0,0]=3 1935 B15R2.78 CSCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000212216 [0,0,0,1,0,0|2,0,0]=3 1936 B15R2.78 FCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011934791 [0,0,0,1,0,0|1,0,1]=3 1937 B15R2.78 FCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011934791 [0,0,0,1,0,0|1,0,1]=3 1938 B15R2.78 FCCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011934791 [0,0,0,1,0,0|1,0,1]=3 1939 B15R2.78 N#CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011215226 [0,0,0,1,0,0|0,0,0]=1 1940 B15R2.78 N#CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011215226 [0,0,0,1,0,0|0,0,0]=1 1941 B15R2.78 N#CSCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000211825 [0,0,0,1,0,0|1,0,0]=2 1942 B15R2.78 OCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000230001 [0,0,0,1,0,0|1,0,1]=3 1943 B15R2.78 OCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011215043 [0,0,0,1,0,0|1,0,1]=3 1944 B15R2.78 OCCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000230001 [0,0,0,1,0,0|1,0,1]=3 1945 B15R2.491 CC(Cc1ccccc1)N[C@@H]2C[C@H]2F 34a_100025746932_200011218536 [0,0,0,1,0,0|1,0,1]=3 1946 B15R2.1122 CC1CCN1C(C)Cc2ccccc2 269982a_100000755817_200011218536 [0,0,0,1,0,0|1,0,1]=3 1947 B15R2.1122 CC1CCN1C(C)Cc2ccccc2 34a_100000755817_200011218536 [0,0,0,1,0,0|1,0,1]=3 1948 B15R2.1256 CC(C[n+]1ccccc1)NCC2CC2 270004a_100000735609_100000034229 [0,0,0,1,0,0|2,0,1]=4 1949 B15R2.1256 CC(Cc1ccccc1)NCC2CC2 34a_100000735609_200011218536 [0,0,0,1,0,0|1,0,1]=3 1950 B15R2.1256 CC(Cc1ccccc1)OCC2CC2 34a_100000211283_200011218536 [0,0,0,1,0,0|2,0,1]=4 1951 B15R2.1256 CC(Cc1ccccc1)OCC2CC2 34a_100000748627_100000742324 [0,0,0,1,0,0|2,0,1]=4 1952 B15R2.1256 CC(Cc1ccccc1)OCC2CC2 7a_100000748627_100000742324 [0,0,0,1,0,0|2,0,1]=4 1953 B15R2.1256 CC(Cc1ccccc1)OCC2CO2 34a_100000748627_102125554688 [0,0,0,1,0,0|2,0,1]=4 1954 B15R2.1256 CC(Cc1ccccc1)OCC2CO2 7a_100000748627_102125554688 [0,0,0,1,0,0|2,0,1]=4 1955 B15R2.1256 CC(Cc1ccccc1)OCC2CS2 7a_100000748627_100000031435 [0,0,0,1,0,0|2,0,1]=4 1956 B15R2.1256 CC(Cc1ccccc1)OC[C@@H]2CO2 34a_100000757423_200011218536 [0,0,0,1,0,0|2,0,1]=4 1957 B15R2.1256 CC(Cc1ccccc1)OC[C@@H]2CO2 7a_100000748627_100000745022 [0,0,0,1,0,0|2,0,1]=4 1958 B15R2.1256 CC(Cc1ccccc1)SCC2CC2 62a_100000756562_200011218536 [0,0,0,1,0,0|2,0,1]=4 1959 B15R2.1256 CC(Cc1ccccc1)SCC2CC2 62a_200011218536_100000742324 [0,0,0,1,0,0|2,0,1]=4 1960 B15R2.1256 CC(Cc1ccccc1)SCC2CO2 62a_102125554688_200011218536 [0,0,0,1,0,0|2,0,1]=4 1961 B15R2.1256 CC(Cc1ccccc1)SCC2CO2 62a_200011218536_102125554688 [0,0,0,1,0,0|2,0,1]=4 1962 B15R2.1256 CC(Cc1ccccc1)SCC2CS2 62a_100000031435_200011218536 [0,0,0,1,0,0|2,0,1]=4 1963 B15R2.1256 CC(Cc1ccccc1)SCC2CS2 62a_200011218536_100000031435 [0,0,0,1,0,0|2,0,1]=4 1964 B15R2.1256 CC(Cc1ccccc1)SC[C@@H]2CO2 62a_100000745022_200011218536 [0,0,0,1,0,0|2,0,1]=4 1965 B15R2.1256 CC(Cc1ccccc1)SC[C@@H]2CO2 62a_200011218536_100000745022 [0,0,0,1,0,0|2,0,1]=4 1966 B15R2.1256 CC(Cc1ccccn1)NCC2CC2 2230a_100000238496_100000742324 [0,0,0,1,0,0|2,0,1]=4 1967 B15R2.1256 CC(Cc1ccccn1)NCC2CC2 269862a_100000238496_100000741477 [0,0,0,1,0,0|2,0,1]=4 1968 B15R2.1256 CC(Cc1ccccn1)NCC2CO2 2230a_100000238496_100011216344 [0,0,0,1,0,0|2,0,1]=4 1969 B15R2.1256 CC(Cc1cccnc1)NCC2CC2 2230a_100011207255_100000742324 [0,0,0,1,0,0|2,0,1]=4 1970 B15R2.1256 CC(Cc1cccnc1)NCC2CC2 269862a_100011207255_100000741477 [0,0,0,1,0,0|2,0,1]=4 1971 B15R2.1256 CC(Cc1cccnc1)NCC2CC2 270004a_100000735609_100015187140 [0,0,0,1,0,0|2,0,1]=4 1972 B15R2.1256 CC(Cc1cccnc1)NCC2CO2 2230a_100011207255_100011216344 [0,0,0,1,0,0|2,0,1]=4 1973 B15R2.1256 CC(Cc1ccncc1)NCC2CC2 270004a_100000735609_100000238508 [0,0,0,1,0,0|2,0,1]=4 1974 B15R2.1262 C#CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000688953 [0,0,0,1,0,0|1,0,0]=2 1975 B15R2.1262 C#CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000688953 [0,0,0,1,0,0|1,0,0]=2 1976 B15R2.1262 C#CCOCC1CC1c2ccccc2 34a_100011997005_100000184674 [0,0,0,1,0,0|3,0,0]=4 1977 B15R2.1262 C#CCOCC1CC1c2ccccc2 7a_100011997005_100000038162 [0,0,0,1,0,0|3,0,0]=4 1978 B15R2.1262 C/C=C/CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100102629194 [0,0,0,1,0,0|1,0,2]=4 1979 B15R2.1262 C=CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000754431 [0,0,0,1,0,0|1,0,1]=3 1980 B15R2.1262 C=CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000754431 [0,0,0,1,0,0|1,0,1]=3 1981 B15R2.1262 CC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000748600 [0,0,0,1,0,0|1,0,1]=3 1982 B15R2.1262 CC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000748600 [0,0,0,1,0,0|1,0,1]=3 1983 B15R2.1262 CC=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000070051 [0,0,0,1,0,0|1,0,2]=4 1984 B15R2.1262 CC=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000070051 [0,0,0,1,0,0|1,0,2]=4 1985 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210211 [0,0,0,1,0,0|1,0,1]=3 1986 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210210 [0,0,0,1,0,0|1,0,1]=3 1987 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011201679 [0,0,0,1,0,0|2,0,0]=3 1988 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011201679 [0,0,0,1,0,0|2,0,0]=3 1989 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000751147 [0,0,0,1,0,0|2,0,0]=3 1990 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000212216 [0,0,0,1,0,0|2,0,0]=3 1991 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011934791 [0,0,0,1,0,0|1,0,1]=3 1992 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011934791 [0,0,0,1,0,0|1,0,1]=3 1993 B15R2.1262 N#CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215226 [0,0,0,1,0,0|0,0,0]=1 1994 B15R2.1262 N#CCOCC1CC1c2ccccc2 7a_100011997005_100011215382 [0,0,0,1,0,0|2,0,0]=3 1995 B15R2.1262 N#CCOCC1OC1c2ccccc2 7a_100000032844_100011215382 [0,0,0,1,0,0|3,0,0]=4 1996 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000230001 [0,0,0,1,0,0|1,0,1]=3 1997 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000230001 [0,0,0,1,0,0|1,0,1]=3 1998 B15R2.1435 N#CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011215382 [0,0,0,1,0,0|3,0,0]=4 1999 B15R2.1690 N#C[C@@H]1C[C@H]1C(=O)Cc2ccccc2 1458a_100015294237_100015291786 [0,0,0,1,0,0|2,0,1]=4 2000 B15R2.2203 BrCCCOC1Cc2ccccc2C1 34a_100011217188_100000753484 [0,0,0,1,0,0|2,0,1]=4 2001 B15R2.2203 C#CCCCN1Cc2ccccc2C1 2230a_100000752595_100000731252 [0,0,0,1,0,0|3,0,0]=4 2002 B15R2.2203 C#CCCCN1Cc2ccccc2C1 269982a_100000752595_100011215417 [0,0,0,1,0,0|3,0,0]=4 2003 B15R2.2203 C#CCCCN1Cc2ccccc2C1 34a_100000752595_100000695029 [0,0,0,1,0,0|3,0,0]=4 2004 B15R2.2203 C#CCCNC1Cc2ccccc2C1 2230a_100000753258_100000688953 [0,0,0,1,0,0|1,0,0]=2 2005 B15R2.2203 C#CCCNC1Cc2ccccc2C1 34a_100000753258_100000688953 [0,0,0,1,0,0|1,0,0]=2 2006 B15R2.2203 C#CCCNC1Cc2ccccc2C1 34a_100000755551_100000753484 [0,0,0,1,0,0|1,0,0]=2 2007 B15R2.2203 C#CCCOC1Cc2ccccc2C1 34a_100011215286_100000688953 [0,0,0,1,0,0|2,0,0]=3 2008 B15R2.2203 C#CCCOC1Cc2ccccc2C1 34a_100011215631_100000753484 [0,0,0,1,0,0|2,0,0]=3 2009 B15R2.2203 C#CCCSC1Cc2ccccc2C1 62a_100000688953_100000753484 [0,0,0,1,0,0|2,0,0]=3 2010 B15R2.2203 C#CCNCC1Cc2ccccc2C1 2230a_100000757167_100000038162 [0,0,0,1,0,0|3,0,0]=4 2011 B15R2.2203 C#CCNCC1Cc2ccccc2C1 34a_100000757167_100000184674 [0,0,0,1,0,0|3,0,0]=4 2012 B15R2.2203 C#CCOCC1Cc2ccccc2C1 34a_100000720471_100000184674 [0,0,0,1,0,0|3,0,0]=4 2013 B15R2.2203 C/C=C/CNC1Cc2ccccc2C1 34a_100000753258_100102629194 [0,0,0,1,0,0|1,0,2]=4 2014 B15R2.2203 C=CCCNC1Cc2ccccc2C1 2230a_100000753258_100000754431 [0,0,0,1,0,0|1,0,1]=3 2015 B15R2.2203 C=CCCNC1Cc2ccccc2C1 34a_100000753258_100000754431 [0,0,0,1,0,0|1,0,1]=3 2016 B15R2.2203 C=CCCOC1Cc2ccccc2C1 34a_100011205117_100000753484 [0,0,0,1,0,0|2,0,1]=4 2017 B15R2.2203 C=CCCOC1Cc2ccccc2C1 34a_100011215286_100000754431 [0,0,0,1,0,0|2,0,1]=4 2018 B15R2.2203 C=CCCSC1Cc2ccccc2C1 62a_100000754431_100000753484 [0,0,0,1,0,0|2,0,1]=4 2019 B15R2.2203 CC#CCNC1Cc2ccccc2C1 2230a_100000753258_100000748600 [0,0,0,1,0,0|1,0,1]=3 2020 B15R2.2203 CC#CCNC1Cc2ccccc2C1 34a_100000685387_100000753484 [0,0,0,1,0,0|1,0,1]=3 2021 B15R2.2203 CC#CCNC1Cc2ccccc2C1 34a_100000753258_100000748600 [0,0,0,1,0,0|1,0,1]=3 2022 B15R2.2203 CC#CCOC1Cc2ccccc2C1 34a_100000761923_100000753484 [0,0,0,1,0,0|2,0,1]=4 2023 B15R2.2203 CC#CCOC1Cc2ccccc2C1 34a_100011215286_100000748600 [0,0,0,1,0,0|2,0,1]=4 2024 B15R2.2203 CC#CCSC1Cc2ccccc2C1 62a_100000748600_100000753484 [0,0,0,1,0,0|2,0,1]=4 2025 B15R2.2203 CC=CCNC1Cc2ccccc2C1 2230a_100000753258_100000070051 [0,0,0,1,0,0|1,0,2]=4 2026 B15R2.2203 CC=CCNC1Cc2ccccc2C1 34a_100000753258_100000070051 [0,0,0,1,0,0|1,0,2]=4 2027 B15R2.2203 CCCCNC1Cc2ccccc2C1 2230a_100000753258_100000210211 [0,0,0,1,0,0|1,0,1]=3 2028 B15R2.2203 CCCCNC1Cc2ccccc2C1 34a_100000753258_100000210210 [0,0,0,1,0,0|1,0,1]=3 2029 B15R2.2203 CCCCNC1Cc2ccccc2C1 7a_106832991798_100000753484 [0,0,0,1,0,0|1,0,1]=3 2030 B15R2.2203 CCCCOC1Cc2ccccc2C1 34a_100000210227_100000753484 [0,0,0,1,0,0|2,0,1]=4 2031 B15R2.2203 CCCCOC1Cc2ccccc2C1 34a_100011215286_100000210210 [0,0,0,1,0,0|2,0,1]=4 2032 B15R2.2203 CCCCOC1Cc2ccccc2C1 7a_100000210227_100000753484 [0,0,0,1,0,0|2,0,1]=4 2033 B15R2.2203 CCCCSC1Cc2ccccc2C1 62a_100000210211_100000753484 [0,0,0,1,0,0|2,0,1]=4 2034 B15R2.2203 COCCNC1Cc2ccccc2C1 2230a_100000753258_100011201679 [0,0,0,1,0,0|2,0,0]=3 2035 B15R2.2203 COCCNC1Cc2ccccc2C1 34a_100000753258_100011201679 [0,0,0,1,0,0|2,0,0]=3 2036 B15R2.2203 COCCOC1Cc2ccccc2C1 34a_100000210237_100000753484 [0,0,0,1,0,0|3,0,0]=4 2037 B15R2.2203 COCCOC1Cc2ccccc2C1 34a_100011215286_100011201679 [0,0,0,1,0,0|3,0,0]=4 2038 B15R2.2203 COCCSC1Cc2ccccc2C1 62a_100000233755_100000753484 [0,0,0,1,0,0|3,0,0]=4 2039 B15R2.2203 CSCCNC1Cc2ccccc2C1 2230a_100000753258_100000751147 [0,0,0,1,0,0|2,0,0]=3 2040 B15R2.2203 CSCCNC1Cc2ccccc2C1 34a_100000753258_100000212216 [0,0,0,1,0,0|2,0,0]=3 2041 B15R2.2203 CSCCOC1Cc2ccccc2C1 34a_100000230434_100000753484 [0,0,0,1,0,0|3,0,0]=4 2042 B15R2.2203 CSCCOC1Cc2ccccc2C1 34a_100011215286_100000212216 [0,0,0,1,0,0|3,0,0]=4 2043 B15R2.2203 CSCCOC1Cc2ccccc2C1 7a_100000230434_100000753484 [0,0,0,1,0,0|3,0,0]=4 2044 B15R2.2203 CSCCSC1Cc2ccccc2C1 62a_100000212216_100000753484 [0,0,0,1,0,0|3,0,0]=4 2045 B15R2.2203 ClCCCOC1Cc2ccccc2C1 34a_100000230001_100000753484 [0,0,0,1,0,0|2,0,1]=4 2046 B15R2.2203 FCCCNC1Cc2ccccc2C1 2230a_100000753258_100011934791 [0,0,0,1,0,0|1,0,1]=3 2047 B15R2.2203 FCCCNC1Cc2ccccc2C1 34a_100000753258_100011934791 [0,0,0,1,0,0|1,0,1]=3 2048 B15R2.2203 FCCCNC1Cc2ccccc2C1 34a_100015189416_100000753484 [0,0,0,1,0,0|1,0,1]=3 2049 B15R2.2203 FCCCOC1Cc2ccccc2C1 34a_100000759539_100000753484 [0,0,0,1,0,0|2,0,1]=4 2050 B15R2.2203 FCCCOC1Cc2ccccc2C1 34a_100011215286_100011934791 [0,0,0,1,0,0|2,0,1]=4 2051 B15R2.2203 FCCCSC1Cc2ccccc2C1 62a_100011934791_100000753484 [0,0,0,1,0,0|2,0,1]=4 2052 B15R2.2203 N#CCCCN1Cc2ccccc2C1 2230a_100000752595_100000687738 [0,0,0,1,0,0|2,0,0]=3 2053 B15R2.2203 N#CCCCN1Cc2ccccc2C1 269982a_100000752595_100000687738 [0,0,0,1,0,0|2,0,0]=3 2054 B15R2.2203 N#CCCCN1Cc2cccnc2C1 269982a_100000726175_100000687738 [0,0,0,1,0,0|3,0,0]=4 2055 B15R2.2203 N#CCCCN1Cc2ccncc2C1 2230a_100000730608_100000687738 [0,0,0,1,0,0|3,0,0]=4 2056 B15R2.2203 N#CCCCN1Cc2ccncc2C1 269982a_100000730608_100000687738 [0,0,0,1,0,0|3,0,0]=4 2057 B15R2.2203 N#CCCNC1Cc2ccccc2C1 2230a_100000753258_100011215226 [0,0,0,1,0,0|0,0,0]=1 2058 B15R2.2203 N#CCCNc1nc2ccccc2[nH]1 27a_100000720768_100009814255 [0,0,0,1,0,0|2,0,1]=4 2059 B15R2.2203 N#CCCNc1nc2ccccc2s1 27a_100000720768_100000751744 [0,0,0,1,0,0|2,0,1]=4 2060 B15R2.2203 N#CCCSC1Cc2ccccc2C1 62a_100011215226_100000753484 [0,0,0,1,0,0|1,0,0]=2 2061 B15R2.2203 N#CCNCC1Cc2ccccc2C1 2230a_100000757167_100011215382 [0,0,0,1,0,0|2,0,0]=3 2062 B15R2.2203 N#CCNCC1Cc2ccccc2O1 2230a_100015207006_100011215382 [0,0,0,1,0,0|3,0,0]=4 2063 B15R2.2203 N#CSCCN1Cc2ccccc2C1 269982a_100000752595_100000034367 [0,0,0,1,0,0|3,0,0]=4 2064 B15R2.2203 N#CSCSC1Cc2ccccc2C1 62a_100000211825_100000753484 [0,0,0,1,0,0|2,0,0]=3 2065 B15R2.2203 NCCCOC1Cc2ccccc2C1 34a_100000182051_100000753484 [0,0,0,1,0,0|1,0,2]=4 2066 B15R2.2203 NOCCOC1Cc2ccccc2C1 34a_100000700252_100000753484 [0,0,0,1,0,0|2,0,1]=4 2067 B15R2.2203 OCCCNC1Cc2ccccc2C1 2230a_100000753258_100000230001 [0,0,0,1,0,0|1,0,1]=3 2068 B15R2.2203 OCCCNC1Cc2ccccc2C1 34a_100000753258_100000230001 [0,0,0,1,0,0|1,0,1]=3 2069 B15R2.2203 OCCCOC1Cc2ccccc2C1 34a_100011215286_100000230001 [0,0,0,1,0,0|2,0,1]=4 2070 B15R2.2203 OCCCSC1Cc2ccccc2C1 62a_100011215043_100000753484 [0,0,0,1,0,0|2,0,1]=4 2071 B15R2.16446 CC(C[n+]1ccccc1)NC2COC2 270004a_100016991112_100000034229 [0,0,0,1,0,0|3,0,0]=4 2072 B15R2.16446 CC(C[n+]1ccccc1)NC2CSC2 270004a_100016994217_100000034229 [0,0,0,1,0,0|3,0,0]=4 2073 B15R2.16446 CC(Cc1ccccc1)NC2CCC2 34a_100000749019_200011218536 [0,0,0,1,0,0|1,0,1]=3 2074 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748187_200011218536 [0,0,0,1,0,0|2,0,1]=4 2075 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748627_100000749161 [0,0,0,1,0,0|2,0,1]=4 2076 B15R2.16446 CC(Cc1ccccc1)OC2COC2 34a_100000748627_100009818527 [0,0,0,1,0,0|3,0,0]=4 2077 B15R2.16446 CC(Cc1ccccc1)OC2COC2 7a_100000748627_100009818527 [0,0,0,1,0,0|3,0,0]=4 2078 B15R2.16446 CC(Cc1ccccc1)OC2CSC2 7a_100000072292_200011218536 [0,0,0,1,0,0|3,0,0]=4 2079 B15R2.16446 CC(Cc1ccccc1)SC2CCC2 62a_200011218536_100000749161 [0,0,0,1,0,0|2,0,1]=4 2080 B15R2.16446 CC(Cc1ccccc1)SC2COC2 62a_200011218536_100009818527 [0,0,0,1,0,0|3,0,0]=4 2081 B15R2.16446 CC(Cc1ccccn1)NC2CCC2 270004a_100000238496_100000241760 [0,0,0,1,0,0|2,0,1]=4 2082 B15R2.16446 CC(Cc1cccnc1)NC2CCC2 270004a_100011207255_100000241760 [0,0,0,1,0,0|2,0,1]=4 2083 B15R2.16446 CC(Cc1cccnc1)NC2COC2 270004a_100016991112_100015187140 [0,0,0,1,0,0|3,0,0]=4 2084 B15R2.16446 CC(Cc1cccnc1)NC2CSC2 270004a_100016994217_100015187140 [0,0,0,1,0,0|3,0,0]=4 2085 B15R2.16446 CC(Cc1ccncc1)NC2COC2 270004a_100016991112_100000238508 [0,0,0,1,0,0|3,0,0]=4 2086 B15R2.16446 CC(Cc1ccncc1)NC2CSC2 270004a_100016994217_100000238508 [0,0,0,1,0,0|3,0,0]=4 2087 B13R1.24 C#CCCCN(C)c1ccccc1 2230a_100000210012_100000731252 [0,0,0,0,1,0|3,0,0]=4 2088 B13R1.24 C#CCCCN(C)c1ccccc1 269982a_100000210012_100011215417 [0,0,0,0,1,0|3,0,0]=4 2089 B13R1.24 C#CCCCN(C)c1ccccc1 34a_100000210012_100000695029 [0,0,0,0,1,0|3,0,0]=4 2090 B13R1.24 C#CCCNC(=O)c1ccccc1 11a_100000755551_100000185807 [0,0,0,0,1,0|2,0,1]=4 2091 B13R1.24 C#CCCNC(=O)c1ccccc1 1626a_100000755551_100000185807 [0,0,0,0,1,0|2,0,1]=4 2092 B13R1.24 C#CCCNC(=O)c1ccccc1 240690a_100000755551_100000185807 [0,0,0,0,1,0|2,0,1]=4 2093 B13R1.24 C#CCCNC(=O)c1ccccc1 527a_100000755551_100000185807 [0,0,0,0,1,0|2,0,1]=4 2094 B13R1.24 C#CCCNC(C)c1ccccc1 34a_100000755551_100000211855 [0,0,0,0,1,0|1,0,0]=2 2095 B13R1.24 C#CCCNC(C)c1ccccn1 2230a_100000181244_100000688953 [0,0,0,0,1,0|2,0,0]=3 2096 B13R1.24 C#CCCNC(C)c1cccnc1 2230a_100000195435_100000688953 [0,0,0,0,1,0|2,0,0]=3 2097 B13R1.24 C#CCCNC(C)c1ccncc1 2230a_100000181269_100000688953 [0,0,0,0,1,0|2,0,0]=3 2098 B13R1.24 C#CCCNC(C)c1ncccn1 2230a_100020641698_100000688953 [0,0,0,0,1,0|3,0,0]=4 2099 B13R1.24 C#CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000688953 [0,0,0,0,1,0|1,0,0]=2 2100 B13R1.24 C#CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000688953 [0,0,0,0,1,0|3,0,0]=4 2101 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,0,0,0,1,0|2,0,0]=3 2102 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,0,0,0,1,0|2,0,0]=3 2103 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,0,0,0,1,0|2,0,0]=3 2104 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000230085_100000688953 [0,0,0,0,1,0|2,0,0]=3 2105 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000688953_100000230085 [0,0,0,0,1,0|2,0,0]=3 2106 B13R1.24 C#CCNCC(C)c1ccccc1 2230a_100000701038_100000038162 [0,0,0,0,1,0|3,0,0]=4 2107 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000212058_100000756946 [0,0,0,0,1,0|3,0,0]=4 2108 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000701038_100000184674 [0,0,0,0,1,0|3,0,0]=4 2109 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100000210247_100000756946 [0,0,0,0,1,0|3,0,0]=4 2110 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100011215166_100000184674 [0,0,0,0,1,0|3,0,0]=4 2111 B13R1.24 C#CCOCC(C)c1ccccc1 7a_100011215166_100000038162 [0,0,0,0,1,0|3,0,0]=4 2112 B13R1.24 C#CCSCC(C)c1ccccc1 62a_100000038162_100000756946 [0,0,0,0,1,0|3,0,0]=4 2113 B13R1.24 C=CCCNC(C)c1ccccc1 2230a_100015191253_100000230085 [0,0,0,0,1,0|1,0,1]=3 2114 B13R1.24 C=CCCNC(C)c1ccccc1 269862a_100015191253_100000185851 [0,0,0,0,1,0|1,0,1]=3 2115 B13R1.24 C=CCCNC(C)c1ccccn1 2230a_100000181244_100000754431 [0,0,0,0,1,0|2,0,1]=4 2116 B13R1.24 C=CCCNC(C)c1ccccn1 269862a_100015191253_100000210467 [0,0,0,0,1,0|2,0,1]=4 2117 B13R1.24 C=CCCNC(C)c1cccnc1 2230a_100000195435_100000754431 [0,0,0,0,1,0|2,0,1]=4 2118 B13R1.24 C=CCCNC(C)c1cccnc1 269862a_100015191253_100000210468 [0,0,0,0,1,0|2,0,1]=4 2119 B13R1.24 C=CCCNC(C)c1ccncc1 2230a_100000181269_100000754431 [0,0,0,0,1,0|2,0,1]=4 2120 B13R1.24 C=CCCNC(C)c1ccncc1 269862a_100015191253_100000185792 [0,0,0,0,1,0|2,0,1]=4 2121 B13R1.24 C=CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000754431 [0,0,0,0,1,0|1,0,1]=3 2122 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,0,0,0,1,0|2,0,1]=4 2123 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,0,0,0,1,0|2,0,1]=4 2124 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,0,0,0,1,0|2,0,1]=4 2125 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000230085_100000754431 [0,0,0,0,1,0|2,0,1]=4 2126 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000754431_100000230085 [0,0,0,0,1,0|2,0,1]=4 2127 B13R1.24 CC#CCNC(C)c1ccccc1 2230a_100000685387_100000230085 [0,0,0,0,1,0|1,0,1]=3 2128 B13R1.24 CC#CCNC(C)c1ccccc1 34a_100000685387_100000211855 [0,0,0,0,1,0|1,0,1]=3 2129 B13R1.24 CC#CCNC(C)c1ccccn1 2230a_100000181244_100000748600 [0,0,0,0,1,0|2,0,1]=4 2130 B13R1.24 CC#CCNC(C)c1cccnc1 2230a_100000195435_100000748600 [0,0,0,0,1,0|2,0,1]=4 2131 B13R1.24 CC#CCNC(C)c1ccncc1 2230a_100000181269_100000748600 [0,0,0,0,1,0|2,0,1]=4 2132 B13R1.24 CC#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000748600 [0,0,0,0,1,0|1,0,1]=3 2133 B13R1.24 CC#CCOC(C)c1ccccc1 34a_100000761923_100000211855 [0,0,0,0,1,0|2,0,1]=4 2134 B13R1.24 CC#CCO[C@H](C)c1ccccc1 34a_100000761318_100000748600 [0,0,0,0,1,0|2,0,1]=4 2135 B13R1.24 CC#CCO[C@H](C)c1ccccc1 7a_100000761318_100000748600 [0,0,0,0,1,0|2,0,1]=4 2136 B13R1.24 CC#CCSC(C)c1ccccc1 62a_100000230085_100000748600 [0,0,0,0,1,0|2,0,1]=4 2137 B13R1.24 CC#CCSC(C)c1ccccc1 62a_100000748600_100000230085 [0,0,0,0,1,0|2,0,1]=4 2138 B13R1.24 CC(CNCC#N)c1ccccc1 2230a_100000701038_100011215382 [0,0,0,0,1,0|2,0,0]=3 2139 B13R1.24 CC(COCC#N)c1ccccc1 7a_100011215166_100011215382 [0,0,0,0,1,0|2,0,0]=3 2140 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100000756946_100011215382 [0,0,0,0,1,0|2,0,0]=3 2141 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100011215382_100000756946 [0,0,0,0,1,0|2,0,0]=3 2142 B13R1.24 CC(NCCC#N)c1ccccn1 2230a_100000181244_100011215226 [0,0,0,0,1,0|1,0,0]=2 2143 B13R1.24 CC(NCCC#N)c1cccnc1 2230a_100000195435_100011215226 [0,0,0,0,1,0|1,0,0]=2 2144 B13R1.24 CC(NCCC#N)c1ccncc1 2230a_100000181269_100011215226 [0,0,0,0,1,0|1,0,0]=2 2145 B13R1.24 CC(NCCC#N)c1ncccn1 2230a_100020641698_100011215226 [0,0,0,0,1,0|2,0,0]=3 2146 B13R1.24 CC(NCCC#N)c1ncccn1 270004a_100000720768_100011350828 [0,0,0,0,1,0|2,0,0]=3 2147 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,0,0,0,1,0|1,0,1]=3 2148 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,0,0,0,1,0|1,0,1]=3 2149 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,0,0,0,1,0|1,0,1]=3 2150 B13R1.24 CC(NCCCF)c1ccccn1 2230a_100000181244_100011934791 [0,0,0,0,1,0|2,0,1]=4 2151 B13R1.24 CC(NCCCF)c1ccccn1 269862a_100015189416_100000210467 [0,0,0,0,1,0|2,0,1]=4 2152 B13R1.24 CC(NCCCF)c1cccnc1 2230a_100000195435_100011934791 [0,0,0,0,1,0|2,0,1]=4 2153 B13R1.24 CC(NCCCF)c1cccnc1 269862a_100015189416_100000210468 [0,0,0,0,1,0|2,0,1]=4 2154 B13R1.24 CC(NCCCF)c1ccncc1 2230a_100000181269_100011934791 [0,0,0,0,1,0|2,0,1]=4 2155 B13R1.24 CC(NCCCF)c1ccncc1 269862a_100015189416_100000185792 [0,0,0,0,1,0|2,0,1]=4 2156 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,0,0,0,1,0|1,0,1]=3 2157 B13R1.24 CC(NCCCO)c1ccccn1 2230a_100000181244_100000230001 [0,0,0,0,1,0|2,0,1]=4 2158 B13R1.24 CC(NCCCO)c1ccccn1 269862a_100000182051_100000210467 [0,0,0,0,1,0|2,0,1]=4 2159 B13R1.24 CC(NCCCO)c1cccnc1 2230a_100000195435_100000230001 [0,0,0,0,1,0|2,0,1]=4 2160 B13R1.24 CC(NCCCO)c1cccnc1 269862a_100000182051_100000210468 [0,0,0,0,1,0|2,0,1]=4 2161 B13R1.24 CC(NCCCO)c1ccncc1 2230a_100000181269_100000230001 [0,0,0,0,1,0|2,0,1]=4 2162 B13R1.24 CC(NCCCO)c1ccncc1 269862a_100000182051_100000185792 [0,0,0,0,1,0|2,0,1]=4 2163 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,0,0,0,1,0|2,0,1]=4 2164 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,0,0,0,1,0|2,0,1]=4 2165 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,0,0,0,1,0|2,0,1]=4 2166 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,0,0,0,1,0|1,0,2]=4 2167 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,0,0,0,1,0|2,0,1]=4 2168 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100000230085_100011215226 [0,0,0,0,1,0|1,0,0]=2 2169 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100011215226_100000230085 [0,0,0,0,1,0|1,0,0]=2 2170 B13R1.24 CC(SCCC#N)c1cnccn1 62a_100011215226_200000703233 [0,0,0,0,1,0|3,0,0]=4 2171 B13R1.24 CC(SCCC#N)c1cnccn1 62a_200000703233_100011215226 [0,0,0,0,1,0|3,0,0]=4 2172 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,0,0,0,1,0|2,0,1]=4 2173 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,0,0,0,1,0|2,0,1]=4 2174 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,0,0,0,1,0|2,0,1]=4 2175 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,0,0,0,1,0|2,0,1]=4 2176 B13R1.24 CC(SCSC#N)c1ccccc1 62a_100000211825_100000230085 [0,0,0,0,1,0|2,0,0]=3 2177 B13R1.24 CC(SCSC#N)c1ccccc1 62a_100000230085_100000211825 [0,0,0,0,1,0|2,0,0]=3 2178 B13R1.24 CC=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000070051 [0,0,0,0,1,0|1,0,2]=4 2179 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,0,0,0,1,0|1,0,1]=3 2180 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,0,0,0,1,0|1,0,1]=3 2181 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,0,0,0,1,0|1,0,1]=3 2182 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,0,0,0,1,0|2,0,1]=4 2183 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,0,0,0,1,0|2,0,1]=4 2184 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,0,0,0,1,0|2,0,1]=4 2185 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,0,0,0,1,0|2,0,1]=4 2186 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,0,0,0,1,0|2,0,1]=4 2187 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,0,0,0,1,0|2,0,1]=4 2188 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,0,0,0,1,0|1,0,1]=3 2189 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,0,0,0,1,0|2,0,1]=4 2190 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,0,0,0,1,0|2,0,1]=4 2191 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,0,0,0,1,0|2,0,1]=4 2192 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,0,0,0,1,0|2,0,1]=4 2193 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,0,0,0,1,0|2,0,1]=4 2194 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,0,0,0,1,0|2,0,1]=4 2195 B13R1.24 CN(CCCC#N)c1ccccc1 2230a_100000210012_100000687738 [0,0,0,0,1,0|2,0,0]=3 2196 B13R1.24 CN(CCCC#N)c1ccccc1 269982a_100000210012_100000687738 [0,0,0,0,1,0|2,0,0]=3 2197 B13R1.24 CN(CCSC#N)c1ccccc1 269982a_100000210012_100000034367 [0,0,0,0,1,0|3,0,0]=4 2198 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,0,0,0,1,0|2,0,0]=3 2199 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,0,0,0,1,0|2,0,0]=3 2200 B13R1.24 COCCNC(C)c1ccccn1 2230a_100000181244_100011201679 [0,0,0,0,1,0|3,0,0]=4 2201 B13R1.24 COCCNC(C)c1ccccn1 269862a_100000209980_100000210467 [0,0,0,0,1,0|3,0,0]=4 2202 B13R1.24 COCCNC(C)c1cccnc1 2230a_100000195435_100011201679 [0,0,0,0,1,0|3,0,0]=4 2203 B13R1.24 COCCNC(C)c1cccnc1 269862a_100000209980_100000210468 [0,0,0,0,1,0|3,0,0]=4 2204 B13R1.24 COCCNC(C)c1ccncc1 2230a_100000181269_100011201679 [0,0,0,0,1,0|3,0,0]=4 2205 B13R1.24 COCCNC(C)c1ccncc1 269862a_100000209980_100000185792 [0,0,0,0,1,0|3,0,0]=4 2206 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,0,0,0,1,0|2,0,0]=3 2207 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,0,0,0,1,0|3,0,0]=4 2208 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,0,0,0,1,0|3,0,0]=4 2209 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,0,0,0,1,0|3,0,0]=4 2210 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,0,0,0,1,0|3,0,0]=4 2211 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,0,0,0,1,0|3,0,0]=4 2212 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,0,0,0,1,0|2,0,0]=3 2213 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,0,0,0,1,0|2,0,0]=3 2214 B13R1.24 CSCCNC(C)c1ccccn1 2230a_100000181244_100000751147 [0,0,0,0,1,0|3,0,0]=4 2215 B13R1.24 CSCCNC(C)c1ccccn1 269862a_100020590264_100000210467 [0,0,0,0,1,0|3,0,0]=4 2216 B13R1.24 CSCCNC(C)c1cccnc1 2230a_100000195435_100000751147 [0,0,0,0,1,0|3,0,0]=4 2217 B13R1.24 CSCCNC(C)c1cccnc1 269862a_100020590264_100000210468 [0,0,0,0,1,0|3,0,0]=4 2218 B13R1.24 CSCCNC(C)c1ccncc1 2230a_100000181269_100000751147 [0,0,0,0,1,0|3,0,0]=4 2219 B13R1.24 CSCCNC(C)c1ccncc1 269862a_100020590264_100000185792 [0,0,0,0,1,0|3,0,0]=4 2220 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,0,0,0,1,0|2,0,0]=3 2221 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,0,0,0,1,0|3,0,0]=4 2222 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,0,0,0,1,0|3,0,0]=4 2223 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,0,0,0,1,0|3,0,0]=4 2224 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,0,0,0,1,0|3,0,0]=4 2225 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,0,0,0,1,0|3,0,0]=4 2226 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,0,0,0,1,0|3,0,0]=4 2227 B13R1.24 C[C@@H](NCCC#N)c1ccccc1 2230a_100000751104_100011215226 [0,0,0,0,1,0|0,0,0]=1 2228 B13R1.24 C[C@@H](NCCC#N)c1cnccn1 2230a_100020589798_100011215226 [0,0,0,0,1,0|2,0,0]=3 2229 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,0,0,0,1,0|1,0,1]=3 2230 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,0,0,0,1,0|1,0,1]=3 2231 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,0,0,0,1,0|1,0,0]=2 2232 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,0,0,0,1,0|2,0,1]=4 2233 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,0,0,0,1,0|2,0,1]=4 2234 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,0,0,0,1,0|2,0,1]=4 2235 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,0,0,0,1,0|2,0,1]=4 2236 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [0,0,0,0,1,0|2,0,1]=4 2237 B13R1.24 N#CCCNC(=O)c1ccccc1 11a_100000720768_100000185807 [0,0,0,0,1,0|1,0,1]=3 2238 B13R1.24 N#CCCNC(=O)c1ccccc1 1626a_100000720768_100000185807 [0,0,0,0,1,0|1,0,1]=3 2239 B13R1.24 N#CCCNC(=O)c1ccccc1 240690a_100000720768_100000185807 [0,0,0,0,1,0|1,0,1]=3 2240 B13R1.24 N#CCCNC(=O)c1ccccc1 527a_100000720768_100000185807 [0,0,0,0,1,0|1,0,1]=3 2241 B13R1.24 N#CCNCC(O)c1ccccc1 2230a_100000210709_100011215382 [0,0,0,0,1,0|3,0,0]=4 2242 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100000185958_100011215382 [0,0,0,0,1,0|3,0,0]=4 2243 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100011215382_100000185958 [0,0,0,0,1,0|3,0,0]=4 2244 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011215382_100011933945 [0,0,0,0,1,0|3,0,0]=4 2245 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215382 [0,0,0,0,1,0|3,0,0]=4 2246 B13R1.156 C#CCCNC(C)Cc1cccs1 2230a_100000751415_100000688953 [0,0,0,0,1,0|2,0,0]=3 2247 B13R1.156 C#CCCNC(C)Cc1ccsc1 2230a_100000743546_100000688953 [0,0,0,0,1,0|2,0,0]=3 2248 B13R1.156 C#CCCNC(C)Cc1ccsc1 34a_100000743546_100000688953 [0,0,0,0,1,0|2,0,0]=3 2249 B13R1.156 C#CCCNC(C)Cn1cccn1 2230a_100000738251_100000688953 [0,0,0,0,1,0|3,0,0]=4 2250 B13R1.156 C#CCCOC(C)Cc1ccco1 34a_100011803939_100000688953 [0,0,0,0,1,0|3,0,0]=4 2251 B13R1.156 C#CCCOC(C)Cc1ccco1 7a_100011803939_100000688953 [0,0,0,0,1,0|3,0,0]=4 2252 B13R1.156 C=CCCNC(C)Cc1ccco1 270004a_100015191253_100011216958 [0,0,0,0,1,0|2,0,1]=4 2253 B13R1.156 C=CCCNC(C)Cc1cccs1 2230a_100000751415_100000754431 [0,0,0,0,1,0|2,0,1]=4 2254 B13R1.156 C=CCCNC(C)Cc1ccsc1 2230a_100000743546_100000754431 [0,0,0,0,1,0|2,0,1]=4 2255 B13R1.156 C=CCCNC(C)Cc1ccsc1 34a_100000743546_100000754431 [0,0,0,0,1,0|2,0,1]=4 2256 B13R1.156 CC#CCNC(C)Cc1cccs1 2230a_100000751415_100000748600 [0,0,0,0,1,0|2,0,1]=4 2257 B13R1.156 CC#CCNC(C)Cc1ccsc1 2230a_100000743546_100000748600 [0,0,0,0,1,0|2,0,1]=4 2258 B13R1.156 CC#CCNC(C)Cc1ccsc1 34a_100000743546_100000748600 [0,0,0,0,1,0|2,0,1]=4 2259 B13R1.156 CC(CC1C=CCC1)NCCC#N 270004a_100000720768_100000116859 [0,0,0,0,1,0|0,0,3]=4 2260 B13R1.156 CC(Cc1ccco1)NCCC#N 270004a_100000720768_100011216958 [0,0,0,0,1,0|1,0,0]=2 2261 B13R1.156 CC(Cc1ccco1)NCCCF 270004a_100015189416_100011216958 [0,0,0,0,1,0|2,0,1]=4 2262 B13R1.156 CC(Cc1ccco1)NCCCO 270004a_100000182051_100011216958 [0,0,0,0,1,0|2,0,1]=4 2263 B13R1.156 CC(Cc1ccco1)OCCC#N 7a_100011803939_100000184422 [0,0,0,0,1,0|2,0,0]=3 2264 B13R1.156 CC(Cc1cccs1)NCCC#N 2230a_100000751415_100011215226 [0,0,0,0,1,0|1,0,0]=2 2265 B13R1.156 CC(Cc1cccs1)NCCCF 2230a_100000751415_100011934791 [0,0,0,0,1,0|2,0,1]=4 2266 B13R1.156 CC(Cc1cccs1)NCCCO 2230a_100000751415_100000230001 [0,0,0,0,1,0|2,0,1]=4 2267 B13R1.156 CC(Cc1ccsc1)NCCC#N 2230a_100000743546_100011215226 [0,0,0,0,1,0|1,0,0]=2 2268 B13R1.156 CC(Cc1ccsc1)NCCCF 2230a_100000743546_100011934791 [0,0,0,0,1,0|2,0,1]=4 2269 B13R1.156 CC(Cc1ccsc1)NCCCF 34a_100000743546_100011934791 [0,0,0,0,1,0|2,0,1]=4 2270 B13R1.156 CC(Cc1ccsc1)NCCCO 2230a_100000743546_100000230001 [0,0,0,0,1,0|2,0,1]=4 2271 B13R1.156 CC(Cc1ccsc1)NCCCO 34a_100000743546_100000230001 [0,0,0,0,1,0|2,0,1]=4 2272 B13R1.156 CC(Cn1cccn1)NCCC#N 2230a_100000738251_100011215226 [0,0,0,0,1,0|2,0,0]=3 2273 B13R1.156 CC(Cn1cncn1)NCCC#N 2230a_100011201177_100011215226 [0,0,0,0,1,0|3,0,0]=4 2274 B13R1.156 CC(Cn1cncn1)NCCC#N 270004a_100000720768_100011342613 [0,0,0,0,1,0|3,0,0]=4 2275 B13R1.156 CCCCNC(C)Cc1ccco1 270004a_100000102301_100011216958 [0,0,0,0,1,0|2,0,1]=4 2276 B13R1.156 CCCCNC(C)Cc1cccs1 2230a_100000751415_100000210211 [0,0,0,0,1,0|2,0,1]=4 2277 B13R1.156 CCCCNC(C)Cc1ccsc1 2230a_100000743546_100000210211 [0,0,0,0,1,0|2,0,1]=4 2278 B13R1.156 CCCCNC(C)Cc1ccsc1 34a_100000743546_100000210210 [0,0,0,0,1,0|2,0,1]=4 2279 B13R1.156 CN(CCCC#N)Cc1ccco1 2230a_100000185268_100000687738 [0,0,0,0,1,0|3,0,0]=4 2280 B13R1.156 CN(CCCC#N)Cc1ccco1 269982a_100000185268_100000687738 [0,0,0,0,1,0|3,0,0]=4 2281 B13R1.156 CN(CCCC#N)Cc1cccs1 2230a_100000184426_100000687738 [0,0,0,0,1,0|3,0,0]=4 2282 B13R1.156 CN(CCCC#N)Cc1cccs1 269982a_100000184426_100000687738 [0,0,0,0,1,0|3,0,0]=4 2283 B13R1.156 CN(CCCC#N)Cc1ccsc1 2230a_100020654213_100000687738 [0,0,0,0,1,0|3,0,0]=4 2284 B13R1.156 CN(CCCC#N)Cc1ccsc1 269982a_100020654213_100000687738 [0,0,0,0,1,0|3,0,0]=4 2285 B13R1.156 COCCNC(C)Cc1ccco1 270004a_100000209980_100011216958 [0,0,0,0,1,0|3,0,0]=4 2286 B13R1.156 COCCNC(C)Cc1cccs1 2230a_100000751415_100011201679 [0,0,0,0,1,0|3,0,0]=4 2287 B13R1.156 COCCNC(C)Cc1ccsc1 2230a_100000743546_100011201679 [0,0,0,0,1,0|3,0,0]=4 2288 B13R1.156 COCCNC(C)Cc1ccsc1 34a_100000743546_100011201679 [0,0,0,0,1,0|3,0,0]=4 2289 B13R1.156 CSCCNC(C)Cc1ccco1 270004a_100020590264_100011216958 [0,0,0,0,1,0|3,0,0]=4 2290 B13R1.156 CSCCNC(C)Cc1cccs1 2230a_100000751415_100000751147 [0,0,0,0,1,0|3,0,0]=4 2291 B13R1.156 CSCCNC(C)Cc1ccsc1 2230a_100000743546_100000751147 [0,0,0,0,1,0|3,0,0]=4 2292 B13R1.156 CSCCNC(C)Cc1ccsc1 34a_100000743546_100000212216 [0,0,0,0,1,0|3,0,0]=4 2293 B13R1.156 N#CCCNC(=O)Cc1ccc[nH]1 11a_100000720768_100000238377 [0,0,0,0,1,0|2,0,1]=4 2294 B13R1.156 N#CCCNC(=O)Cc1ccc[nH]1 240690a_100000720768_100000238377 [0,0,0,0,1,0|2,0,1]=4 2295 B13R1.156 N#CCCNC(=O)Cc1ccc[nH]1 527a_100000720768_100000238377 [0,0,0,0,1,0|2,0,1]=4 2296 B13R1.156 N#CCCNC(=O)Cc1ccco1 11a_100000720768_100011217309 [0,0,0,0,1,0|2,0,1]=4 2297 B13R1.156 N#CCCNC(=O)Cc1ccco1 527a_100000720768_100011217309 [0,0,0,0,1,0|2,0,1]=4 2298 B13R1.156 N#CCCNC(=O)Cc1cccs1 11a_100000720768_100000210189 [0,0,0,0,1,0|2,0,1]=4 2299 B13R1.156 N#CCCNC(=O)Cc1cccs1 1626a_100000720768_100000210189 [0,0,0,0,1,0|2,0,1]=4 2300 B13R1.156 N#CCCNC(=O)Cc1cccs1 240690a_100000720768_100000210189 [0,0,0,0,1,0|2,0,1]=4 2301 B13R1.156 N#CCCNC(=O)Cc1ccoc1 11a_100000720768_100000684892 [0,0,0,0,1,0|2,0,1]=4 2302 B13R1.156 N#CCCNC(=O)Cc1ccoc1 1626a_100000720768_100000684892 [0,0,0,0,1,0|2,0,1]=4 2303 B13R1.156 N#CCCNC(=O)Cc1ccoc1 240690a_100000720768_100000684892 [0,0,0,0,1,0|2,0,1]=4 2304 B13R1.156 N#CCCNC(=O)Cc1ccoc1 527a_100000720768_100000684892 [0,0,0,0,1,0|2,0,1]=4 2305 B13R1.156 N#CCCNC(=O)Cc1ccsc1 11a_100000720768_100000184062 [0,0,0,0,1,0|2,0,1]=4 2306 B13R1.156 N#CCCNC(=O)Cc1ccsc1 1626a_100000720768_100000184062 [0,0,0,0,1,0|2,0,1]=4 2307 B13R1.156 N#CCCNC(=O)Cc1ccsc1 240690a_100000720768_100000184062 [0,0,0,0,1,0|2,0,1]=4 2308 B13R1.156 N#CCCNC(=O)Cc1ccsc1 527a_100000720768_100000184062 [0,0,0,0,1,0|2,0,1]=4 2309 B13R1.156 N#CCCNC(=O)Cn1cccc1 11a_100000720768_100011196272 [0,0,0,0,1,0|2,0,1]=4 2310 B13R1.156 N#CCCNC(=O)Cn1cccc1 1626a_100000720768_100011196272 [0,0,0,0,1,0|2,0,1]=4 2311 B13R1.156 N#CCCNC(=O)Cn1cccc1 527a_100000720768_100011196272 [0,0,0,0,1,0|2,0,1]=4 2312 B15R1.78 C#CCCCN(C)CCc1ccccc1 2230a_100000207497_100000731252 [0,0,0,0,0,1|3,0,0]=4 2313 B15R1.78 C#CCCCN(C)CCc1ccccc1 269982a_100000207497_100011215417 [0,0,0,0,0,1|3,0,0]=4 2314 B15R1.78 C#CCCNC(=O)CCc1ccccc1 11a_100000755551_100000185753 [0,0,0,0,0,1|2,0,1]=4 2315 B15R1.78 C#CCCNC(=O)CCc1ccccc1 1626a_100000755551_100000185753 [0,0,0,0,0,1|2,0,1]=4 2316 B15R1.78 C#CCCNC(=O)CCc1ccccc1 240690a_100000755551_100000185753 [0,0,0,0,0,1|2,0,1]=4 2317 B15R1.78 C#CCCNC(=O)CCc1ccccc1 527a_100000755551_100000185753 [0,0,0,0,0,1|2,0,1]=4 2318 B15R1.78 C#CCCNC(=O)COc1ccccc1 11a_100000755551_100000186222 [0,0,0,0,0,1|2,0,1]=4 2319 B15R1.78 C#CCCNC(=O)COc1ccccc1 1626a_100000755551_100000186222 [0,0,0,0,0,1|2,0,1]=4 2320 B15R1.78 C#CCCNC(=O)COc1ccccc1 240690a_100000755551_100000186222 [0,0,0,0,0,1|2,0,1]=4 2321 B15R1.78 C#CCCNC(=O)COc1ccccc1 527a_100000755551_100000186222 [0,0,0,0,0,1|2,0,1]=4 2322 B15R1.78 C#CCCNC(=O)CSc1ccccc1 11a_100000755551_100000211596 [0,0,0,0,0,1|2,0,1]=4 2323 B15R1.78 C#CCCNC(=O)CSc1ccccc1 1626a_100000755551_100000211596 [0,0,0,0,0,1|2,0,1]=4 2324 B15R1.78 C#CCCNC(=O)CSc1ccccc1 240690a_100000755551_100000211596 [0,0,0,0,0,1|2,0,1]=4 2325 B15R1.78 C#CCCNC(=O)CSc1ccccc1 527a_100000755551_100000211596 [0,0,0,0,0,1|2,0,1]=4 2326 B15R1.78 C#CCCNC(=O)NCc1ccccc1 2708a_100000755551_100015324214 [0,0,0,0,0,1|2,0,1]=4 2327 B15R1.78 C#CCCNC(=O)NCc1ccccc1 2708a_100015324214_100000755551 [0,0,0,0,0,1|2,0,1]=4 2328 B15R1.78 C#CCCNC(=O)NCc1ccccc1 273464a_100000755551_100015324214 [0,0,0,0,0,1|2,0,1]=4 2329 B15R1.78 C#CCCNC(=O)NCc1ccccc1 273464a_100015324214_100000755551 [0,0,0,0,0,1|2,0,1]=4 2330 B15R1.78 C#CCCNC(=O)NCc1ccccc1 512a_100000755551_100015324214 [0,0,0,0,0,1|2,0,1]=4 2331 B15R1.78 C#CCCNC(=O)NCc1ccccc1 512a_100015324214_100000755551 [0,0,0,0,0,1|2,0,1]=4 2332 B15R1.78 C#CCCNC(C)CCc1ccccc1 2230a_100000210798_100000688953 [0,0,0,0,0,1|1,0,0]=2 2333 B15R1.78 C#CCCNC(C)CCc1ccccc1 34a_100000210798_100000688953 [0,0,0,0,0,1|1,0,0]=2 2334 B15R1.78 C#CCCNC(C)COc1ccccc1 2230a_100000746794_100000688953 [0,0,0,0,0,1|1,0,0]=2 2335 B15R1.78 C#CCCNC(C)COc1ccccc1 34a_100000746794_100000688953 [0,0,0,0,0,1|1,0,0]=2 2336 B15R1.78 C#CCCOC(C)C#Cc1ccccc1 34a_200000065209_100000688953 [0,0,0,0,0,1|2,0,1]=4 2337 B15R1.78 C#CCCOC(C)C#Cc1ccccc1 7a_200000065209_100000688953 [0,0,0,0,0,1|2,0,1]=4 2338 B15R1.78 C#CCCOC(C)COc1ccccc1 34a_100000210911_100000688953 [0,0,0,0,0,1|2,0,0]=3 2339 B15R1.78 C#CCCOC(C)COc1ccccc1 7a_100000210911_100000688953 [0,0,0,0,0,1|2,0,0]=3 2340 B15R1.78 C#CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000688953 [0,0,0,0,0,1|2,0,0]=3 2341 B15R1.78 C#CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000688953 [0,0,0,0,0,1|2,0,0]=3 2342 B15R1.78 C#CCOCC(C)OCc1ccccc1 34a_100011025554_100015291786 [0,0,0,0,0,1|3,0,0]=4 2343 B15R1.78 C#CCOCC(C)OCc1ccccc1 7a_100011025554_100000211182 [0,0,0,0,0,1|3,0,0]=4 2344 B15R1.78 C#CCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000184674 [0,0,0,0,0,1|3,0,0]=4 2345 B15R1.78 C/C=C/CNC(C)CCc1ccccc1 34a_100000210798_100102629194 [0,0,0,0,0,1|1,0,2]=4 2346 B15R1.78 C/C=C/CNC(C)COc1ccccc1 34a_100000746794_100102629194 [0,0,0,0,0,1|1,0,2]=4 2347 B15R1.78 C=CCCNC(C)CCc1ccccc1 2230a_100000210798_100000754431 [0,0,0,0,0,1|1,0,1]=3 2348 B15R1.78 C=CCCNC(C)CCc1ccccc1 270004a_100015191253_100000210092 [0,0,0,0,0,1|1,0,1]=3 2349 B15R1.78 C=CCCNC(C)CCc1ccccc1 34a_100000210798_100000754431 [0,0,0,0,0,1|1,0,1]=3 2350 B15R1.78 C=CCCNC(C)COc1ccccc1 2230a_100000746794_100000754431 [0,0,0,0,0,1|1,0,1]=3 2351 B15R1.78 C=CCCNC(C)COc1ccccc1 270004a_100015191253_100000150576 [0,0,0,0,0,1|1,0,1]=3 2352 B15R1.78 C=CCCNC(C)COc1ccccc1 34a_100000746794_100000754431 [0,0,0,0,0,1|1,0,1]=3 2353 B15R1.78 C=CCCNC(C)CSc1ccccc1 270004a_100015191253_100000150717 [0,0,0,0,0,1|1,0,1]=3 2354 B15R1.78 C=CCCOC(C)COc1ccccc1 34a_100000210911_100000754431 [0,0,0,0,0,1|2,0,1]=4 2355 B15R1.78 C=CCCOC(C)COc1ccccc1 7a_100000210911_100000754431 [0,0,0,0,0,1|2,0,1]=4 2356 B15R1.78 C=CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000754431 [0,0,0,0,0,1|2,0,1]=4 2357 B15R1.78 C=CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000754431 [0,0,0,0,0,1|2,0,1]=4 2358 B15R1.78 CC#CCNC(C)CCc1ccccc1 2230a_100000210798_100000748600 [0,0,0,0,0,1|1,0,1]=3 2359 B15R1.78 CC#CCNC(C)CCc1ccccc1 34a_100000210798_100000748600 [0,0,0,0,0,1|1,0,1]=3 2360 B15R1.78 CC#CCNC(C)COc1ccccc1 2230a_100000746794_100000748600 [0,0,0,0,0,1|1,0,1]=3 2361 B15R1.78 CC#CCNC(C)COc1ccccc1 34a_100000746794_100000748600 [0,0,0,0,0,1|1,0,1]=3 2362 B15R1.78 CC#CCOC(C)COc1ccccc1 34a_100000210911_100000748600 [0,0,0,0,0,1|2,0,1]=4 2363 B15R1.78 CC#CCOC(C)COc1ccccc1 7a_100000210911_100000748600 [0,0,0,0,0,1|2,0,1]=4 2364 B15R1.78 CC#CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000748600 [0,0,0,0,0,1|2,0,1]=4 2365 B15R1.78 CC#CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000748600 [0,0,0,0,0,1|2,0,1]=4 2366 B15R1.78 CC(=NNc1ccccc1)CCCC#N 4a_100015195140_200000032708 [0,0,0,0,0,1|2,0,1]=4 2367 B15R1.78 CC(C#Cc1ccccc1)OCCC#N 7a_200000065209_100000184422 [0,0,0,0,0,1|1,0,1]=3 2368 B15R1.78 CC(CCCC#N)NCc1ccccc1 270004a_100015324214_200000032708 [0,0,0,0,0,1|1,0,0]=2 2369 B15R1.78 CC(CCCC#N)NCc1ccccn1 270004a_100000210449_200000032708 [0,0,0,0,0,1|2,0,0]=3 2370 B15R1.78 CC(CCCC#N)NCc1cccnc1 270004a_100000210453_200000032708 [0,0,0,0,0,1|2,0,0]=3 2371 B15R1.78 CC(CCCC#N)NCc1cncnc1 270004a_100011243677_200000032708 [0,0,0,0,0,1|3,0,0]=4 2372 B15R1.78 CC(CCc1ccccc1)NCCC#N 2230a_100000210798_100011215226 [0,0,0,0,0,1|0,0,0]=1 2373 B15R1.78 CC(CCc1ccccc1)NCCC#N 270004a_100000720768_100000210092 [0,0,0,0,0,1|0,0,0]=1 2374 B15R1.78 CC(CCc1ccccc1)NCCCF 2230a_100000210798_100011934791 [0,0,0,0,0,1|1,0,1]=3 2375 B15R1.78 CC(CCc1ccccc1)NCCCF 270004a_100015189416_100000210092 [0,0,0,0,0,1|1,0,1]=3 2376 B15R1.78 CC(CCc1ccccc1)NCCCF 34a_100000210798_100011934791 [0,0,0,0,0,1|1,0,1]=3 2377 B15R1.78 CC(CCc1ccccc1)NCCCO 2230a_100000210798_100000230001 [0,0,0,0,0,1|1,0,1]=3 2378 B15R1.78 CC(CCc1ccccc1)NCCCO 270004a_100000182051_100000210092 [0,0,0,0,0,1|1,0,1]=3 2379 B15R1.78 CC(CCc1ccccc1)NCCCO 34a_100000210798_100000230001 [0,0,0,0,0,1|1,0,1]=3 2380 B15R1.78 CC(COc1ccccc1)NCCC#N 2230a_100000746794_100011215226 [0,0,0,0,0,1|0,0,0]=1 2381 B15R1.78 CC(COc1ccccc1)NCCC#N 270004a_100000720768_100000150576 [0,0,0,0,0,1|0,0,0]=1 2382 B15R1.78 CC(COc1ccccc1)NCCCF 2230a_100000746794_100011934791 [0,0,0,0,0,1|1,0,1]=3 2383 B15R1.78 CC(COc1ccccc1)NCCCF 270004a_100015189416_100000150576 [0,0,0,0,0,1|1,0,1]=3 2384 B15R1.78 CC(COc1ccccc1)NCCCF 34a_100000746794_100011934791 [0,0,0,0,0,1|1,0,1]=3 2385 B15R1.78 CC(COc1ccccc1)NCCCO 2230a_100000746794_100000230001 [0,0,0,0,0,1|1,0,1]=3 2386 B15R1.78 CC(COc1ccccc1)NCCCO 270004a_100000182051_100000150576 [0,0,0,0,0,1|1,0,1]=3 2387 B15R1.78 CC(COc1ccccc1)NCCCO 34a_100000746794_100000230001 [0,0,0,0,0,1|1,0,1]=3 2388 B15R1.78 CC(COc1ccccc1)NCCO[13CH3] 34a_200009868044_200025704644 [0,0,0,0,0,1|2,0,0]=3 2389 B15R1.78 CC(COc1ccccc1)OCCC#N 7a_100000210911_100000184422 [0,0,0,0,0,1|1,0,0]=2 2390 B15R1.78 CC(COc1ccccc1)OCCCF 34a_100000210911_100011934791 [0,0,0,0,0,1|2,0,1]=4 2391 B15R1.78 CC(COc1ccccc1)OCCCF 7a_100000210911_100011934791 [0,0,0,0,0,1|2,0,1]=4 2392 B15R1.78 CC(COc1ccccc1)OCCCO 34a_100000210911_100000230001 [0,0,0,0,0,1|2,0,1]=4 2393 B15R1.78 CC(COc1ccccc1)OCCCO 7a_100000210911_100011215043 [0,0,0,0,0,1|2,0,1]=4 2394 B15R1.78 CC(CSc1ccccc1)NCCC#N 270004a_100000720768_100000150717 [0,0,0,0,0,1|0,0,0]=1 2395 B15R1.78 CC(CSc1ccccc1)NCCCF 270004a_100015189416_100000150717 [0,0,0,0,0,1|1,0,1]=3 2396 B15R1.78 CC(CSc1ccccc1)NCCCO 270004a_100000182051_100000150717 [0,0,0,0,0,1|1,0,1]=3 2397 B15R1.78 CC=CCNC(C)CCc1ccccc1 2230a_100000210798_100000070051 [0,0,0,0,0,1|1,0,2]=4 2398 B15R1.78 CC=CCNC(C)CCc1ccccc1 34a_100000210798_100000070051 [0,0,0,0,0,1|1,0,2]=4 2399 B15R1.78 CC=CCNC(C)COc1ccccc1 2230a_100000746794_100000070051 [0,0,0,0,0,1|1,0,2]=4 2400 B15R1.78 CC=CCNC(C)COc1ccccc1 34a_100000746794_100000070051 [0,0,0,0,0,1|1,0,2]=4 2401 B15R1.78 CCCCCC(C)NCc1ccccc1 207a_100000211957_100015611070 [0,0,0,0,0,1|2,0,1]=4 2402 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100000211957_100015291786 [0,0,0,0,0,1|2,0,1]=4 2403 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100015324214_200011218191 [0,0,0,0,0,1|2,0,1]=4 2404 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100000211957_100015611070 [0,0,0,0,0,1|2,0,1]=4 2405 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100015324214_100000211708 [0,0,0,0,0,1|2,0,1]=4 2406 B15R1.78 CCCCCC(C)NCc1ccccc1 34a_100015324214_200011218191 [0,0,0,0,0,1|2,0,1]=4 2407 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100000210790_200011218191 [0,0,0,0,0,1|2,0,1]=4 2408 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100011215632_100015291786 [0,0,0,0,0,1|2,0,1]=4 2409 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100000210790_200011218191 [0,0,0,0,0,1|2,0,1]=4 2410 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100011215632_100000211182 [0,0,0,0,0,1|2,0,1]=4 2411 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_100000211182_200011218191 [0,0,0,0,0,1|2,0,1]=4 2412 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_200011218191_100015291786 [0,0,0,0,0,1|2,0,1]=4 2413 B15R1.78 CCCCNC(C)CCc1ccccc1 2230a_100000210798_100000210211 [0,0,0,0,0,1|1,0,1]=3 2414 B15R1.78 CCCCNC(C)CCc1ccccc1 270004a_100000102301_100000210092 [0,0,0,0,0,1|1,0,1]=3 2415 B15R1.78 CCCCNC(C)CCc1ccccc1 34a_100000210798_100000210210 [0,0,0,0,0,1|1,0,1]=3 2416 B15R1.78 CCCCNC(C)COc1ccccc1 2230a_100000746794_100000210211 [0,0,0,0,0,1|1,0,1]=3 2417 B15R1.78 CCCCNC(C)COc1ccccc1 270004a_100000102301_100000150576 [0,0,0,0,0,1|1,0,1]=3 2418 B15R1.78 CCCCNC(C)COc1ccccc1 34a_100000746794_100000210210 [0,0,0,0,0,1|1,0,1]=3 2419 B15R1.78 CCCCNC(C)CSc1ccccc1 270004a_100000102301_100000150717 [0,0,0,0,0,1|1,0,1]=3 2420 B15R1.78 CCCCOC(C)COc1ccccc1 34a_100000210911_100000210210 [0,0,0,0,0,1|2,0,1]=4 2421 B15R1.78 CCCCOC(C)COc1ccccc1 7a_100000210911_100000210211 [0,0,0,0,0,1|2,0,1]=4 2422 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210210 [0,0,0,0,0,1|2,0,1]=4 2423 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210211 [0,0,0,0,0,1|2,0,1]=4 2424 B15R1.78 CN(CCCC#N)CCc1ccccc1 2230a_100000207497_100000687738 [0,0,0,0,0,1|2,0,0]=3 2425 B15R1.78 CN(CCCC#N)CCc1ccccc1 269982a_100000207497_100000687738 [0,0,0,0,0,1|2,0,0]=3 2426 B15R1.78 CN(CCCC#N)CCc1ccccn1 2230a_100000737206_100000687738 [0,0,0,0,0,1|3,0,0]=4 2427 B15R1.78 CN(CCCC#N)CCc1ccccn1 269982a_100000737206_100000687738 [0,0,0,0,0,1|3,0,0]=4 2428 B15R1.78 CN(CCCC#N)CCc1cccnc1 2230a_100000763209_100000687738 [0,0,0,0,0,1|3,0,0]=4 2429 B15R1.78 CN(CCCC#N)CCc1cccnc1 269982a_100000763209_100000687738 [0,0,0,0,0,1|3,0,0]=4 2430 B15R1.78 CN(CCCC#N)CCc1ccncc1 2230a_100000742850_100000687738 [0,0,0,0,0,1|3,0,0]=4 2431 B15R1.78 CN(CCCC#N)CCc1ccncc1 269982a_100000742850_100000687738 [0,0,0,0,0,1|3,0,0]=4 2432 B15R1.78 CN(CCSC#N)CCc1ccccc1 269982a_100000207497_100000034367 [0,0,0,0,0,1|3,0,0]=4 2433 B15R1.78 COCCCC(C)OCc1ccccc1 34a_200011539412_100015291786 [0,0,0,0,0,1|3,0,0]=4 2434 B15R1.78 COCCCC(C)OCc1ccccc1 7a_200011539412_100000211182 [0,0,0,0,0,1|3,0,0]=4 2435 B15R1.78 COCCNC(C)CCc1ccccc1 2230a_100000210798_100011201679 [0,0,0,0,0,1|2,0,0]=3 2436 B15R1.78 COCCNC(C)CCc1ccccc1 270004a_100000209980_100000210092 [0,0,0,0,0,1|2,0,0]=3 2437 B15R1.78 COCCNC(C)CCc1ccccc1 34a_100000210798_100011201679 [0,0,0,0,0,1|2,0,0]=3 2438 B15R1.78 COCCNC(C)COc1ccccc1 2230a_100000746794_100011201679 [0,0,0,0,0,1|2,0,0]=3 2439 B15R1.78 COCCNC(C)COc1ccccc1 270004a_100000209980_100000150576 [0,0,0,0,0,1|2,0,0]=3 2440 B15R1.78 COCCNC(C)COc1ccccc1 34a_100000746794_100011201679 [0,0,0,0,0,1|2,0,0]=3 2441 B15R1.78 COCCNC(C)COc1ccccc1 34a_200009868044_200000210301 [0,0,0,0,0,1|2,0,0]=3 2442 B15R1.78 COCCNC(C)CSc1ccccc1 270004a_100000209980_100000150717 [0,0,0,0,0,1|2,0,0]=3 2443 B15R1.78 COCCOC(C)COc1ccccc1 34a_100000210911_100011201679 [0,0,0,0,0,1|3,0,0]=4 2444 B15R1.78 COCCOC(C)COc1ccccc1 7a_100000210911_100000233755 [0,0,0,0,0,1|3,0,0]=4 2445 B15R1.78 COCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100011201679 [0,0,0,0,0,1|3,0,0]=4 2446 B15R1.78 COCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000233755 [0,0,0,0,0,1|3,0,0]=4 2447 B15R1.78 CSCCCC(C)NCc1ccccc1 270004a_100015324214_100011399439 [0,0,0,0,0,1|3,0,0]=4 2448 B15R1.78 CSCCNC(C)CCc1ccccc1 2230a_100000210798_100000751147 [0,0,0,0,0,1|2,0,0]=3 2449 B15R1.78 CSCCNC(C)CCc1ccccc1 270004a_100020590264_100000210092 [0,0,0,0,0,1|2,0,0]=3 2450 B15R1.78 CSCCNC(C)CCc1ccccc1 34a_100000210798_100000212216 [0,0,0,0,0,1|2,0,0]=3 2451 B15R1.78 CSCCNC(C)COc1ccccc1 2230a_100000746794_100000751147 [0,0,0,0,0,1|2,0,0]=3 2452 B15R1.78 CSCCNC(C)COc1ccccc1 270004a_100020590264_100000150576 [0,0,0,0,0,1|2,0,0]=3 2453 B15R1.78 CSCCNC(C)COc1ccccc1 34a_100000746794_100000212216 [0,0,0,0,0,1|2,0,0]=3 2454 B15R1.78 CSCCNC(C)CSc1ccccc1 270004a_100020590264_100000150717 [0,0,0,0,0,1|2,0,0]=3 2455 B15R1.78 CSCCOC(C)COc1ccccc1 34a_100000210911_100000212216 [0,0,0,0,0,1|3,0,0]=4 2456 B15R1.78 CSCCOC(C)COc1ccccc1 7a_100000210911_100000212216 [0,0,0,0,0,1|3,0,0]=4 2457 B15R1.78 CSCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000212216 [0,0,0,0,0,1|3,0,0]=4 2458 B15R1.78 CSCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000212216 [0,0,0,0,0,1|3,0,0]=4 2459 B15R1.78 C[C@@H](CCc1ccccc1)OCCC#N 7a_100009815974_100000184422 [0,0,0,0,0,1|1,0,0]=2 2460 B15R1.78 C[C@@H](CCc1ccccc1)OCCCF 34a_100009815974_100011934791 [0,0,0,0,0,1|2,0,1]=4 2461 B15R1.78 C[C@@H](CCc1ccccc1)OCCCF 7a_100009815974_100011934791 [0,0,0,0,0,1|2,0,1]=4 2462 B15R1.78 C[C@@H](CCc1ccccc1)OCCCO 34a_100009815974_100000230001 [0,0,0,0,0,1|2,0,1]=4 2463 B15R1.78 C[C@@H](CCc1ccccc1)OCCCO 7a_100009815974_100011215043 [0,0,0,0,0,1|2,0,1]=4 2464 B15R1.78 N#CCCCC(=O)CCc1ccccc1 1458a_100000075515_100000765856 [0,0,0,0,0,1|2,0,1]=4 2465 B15R1.78 N#CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000211468 [0,0,0,0,0,1|2,0,1]=4 2466 B15R1.78 N#CCCCC(=O)COc1ccccc1 1458a_100000186222_100000211468 [0,0,0,0,0,1|2,0,1]=4 2467 B15R1.78 N#CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000211468 [0,0,0,0,0,1|2,0,1]=4 2468 B15R1.78 N#CCCCC(=O)NCc1ccccc1 11a_100015324214_100000075515 [0,0,0,0,0,1|2,0,1]=4 2469 B15R1.78 N#CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000075515 [0,0,0,0,0,1|2,0,1]=4 2470 B15R1.78 N#CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000075515 [0,0,0,0,0,1|2,0,1]=4 2471 B15R1.78 N#CCCCC(=O)NCc1ccccc1 527a_100015324214_100000075515 [0,0,0,0,0,1|2,0,1]=4 2472 B15R1.78 N#CCCNC(=O)C#Cc1ccccc1 240690a_100000720768_100000736102 [0,0,0,0,0,1|1,0,2]=4 2473 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 11a_100000720768_100000210462 [0,0,0,0,0,1|1,0,2]=4 2474 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 1626a_100000720768_100000210462 [0,0,0,0,0,1|1,0,2]=4 2475 B15R1.78 N#CCCNC(=O)CCc1ccccc1 11a_100000720768_100000185753 [0,0,0,0,0,1|1,0,1]=3 2476 B15R1.78 N#CCCNC(=O)CCc1ccccc1 1626a_100000720768_100000185753 [0,0,0,0,0,1|1,0,1]=3 2477 B15R1.78 N#CCCNC(=O)CCc1ccccc1 240690a_100000720768_100000185753 [0,0,0,0,0,1|1,0,1]=3 2478 B15R1.78 N#CCCNC(=O)CCc1ccccc1 527a_100000720768_100000185753 [0,0,0,0,0,1|1,0,1]=3 2479 B15R1.78 N#CCCNC(=O)CCc1ccccn1 11a_100000720768_100015195070 [0,0,0,0,0,1|2,0,1]=4 2480 B15R1.78 N#CCCNC(=O)CCc1ccccn1 240690a_100000720768_100015195070 [0,0,0,0,0,1|2,0,1]=4 2481 B15R1.78 N#CCCNC(=O)CCc1ccccn1 527a_100000720768_100015195070 [0,0,0,0,0,1|2,0,1]=4 2482 B15R1.78 N#CCCNC(=O)CCc1cccnc1 11a_100000720768_100000198484 [0,0,0,0,0,1|2,0,1]=4 2483 B15R1.78 N#CCCNC(=O)CCc1cccnc1 1626a_100000720768_100000198484 [0,0,0,0,0,1|2,0,1]=4 2484 B15R1.78 N#CCCNC(=O)CCc1cccnc1 240690a_100000720768_100000198484 [0,0,0,0,0,1|2,0,1]=4 2485 B15R1.78 N#CCCNC(=O)CCc1cccnc1 527a_100000720768_100000198484 [0,0,0,0,0,1|2,0,1]=4 2486 B15R1.78 N#CCCNC(=O)CCc1ccncc1 11a_100000720768_100011225043 [0,0,0,0,0,1|2,0,1]=4 2487 B15R1.78 N#CCCNC(=O)CCc1ccncc1 240690a_100000720768_100011225043 [0,0,0,0,0,1|2,0,1]=4 2488 B15R1.78 N#CCCNC(=O)CCc1ccncc1 527a_100000720768_100011225043 [0,0,0,0,0,1|2,0,1]=4 2489 B15R1.78 N#CCCNC(=O)COc1ccccc1 11a_100000720768_100000186222 [0,0,0,0,0,1|1,0,1]=3 2490 B15R1.78 N#CCCNC(=O)COc1ccccc1 1626a_100000720768_100000186222 [0,0,0,0,0,1|1,0,1]=3 2491 B15R1.78 N#CCCNC(=O)COc1ccccc1 240690a_100000720768_100000186222 [0,0,0,0,0,1|1,0,1]=3 2492 B15R1.78 N#CCCNC(=O)COc1ccccc1 527a_100000720768_100000186222 [0,0,0,0,0,1|1,0,1]=3 2493 B15R1.78 N#CCCNC(=O)COc1ccccn1 1626a_100000720768_100102699861 [0,0,0,0,0,1|2,0,1]=4 2494 B15R1.78 N#CCCNC(=O)COc1ccccn1 240690a_100000720768_100102699861 [0,0,0,0,0,1|2,0,1]=4 2495 B15R1.78 N#CCCNC(=O)COc1ccccn1 527a_100000720768_100102699861 [0,0,0,0,0,1|2,0,1]=4 2496 B15R1.78 N#CCCNC(=O)COc1cccnc1 11a_100000720768_100015207166 [0,0,0,0,0,1|2,0,1]=4 2497 B15R1.78 N#CCCNC(=O)COc1cccnc1 1626a_100000720768_100015207166 [0,0,0,0,0,1|2,0,1]=4 2498 B15R1.78 N#CCCNC(=O)COc1cccnc1 240690a_100000720768_100015207166 [0,0,0,0,0,1|2,0,1]=4 2499 B15R1.78 N#CCCNC(=O)COc1cccnc1 527a_100000720768_100015207166 [0,0,0,0,0,1|2,0,1]=4 2500 B15R1.78 N#CCCNC(=O)CSc1ccccc1 11a_100000720768_100000211596 [0,0,0,0,0,1|1,0,1]=3 2501 B15R1.78 N#CCCNC(=O)CSc1ccccc1 1626a_100000720768_100000211596 [0,0,0,0,0,1|1,0,1]=3 2502 B15R1.78 N#CCCNC(=O)CSc1ccccc1 240690a_100000720768_100000211596 [0,0,0,0,0,1|1,0,1]=3 2503 B15R1.78 N#CCCNC(=O)CSc1ccccc1 527a_100000720768_100000211596 [0,0,0,0,0,1|1,0,1]=3 2504 B15R1.78 N#CCCNC(=O)CSc1ccccn1 11a_100000720768_100000156281 [0,0,0,0,0,1|2,0,1]=4 2505 B15R1.78 N#CCCNC(=O)CSc1ccccn1 240690a_100000720768_100000156281 [0,0,0,0,0,1|2,0,1]=4 2506 B15R1.78 N#CCCNC(=O)CSc1ccccn1 527a_100000720768_100000156281 [0,0,0,0,0,1|2,0,1]=4 2507 B15R1.78 N#CCCNC(=O)CSc1ccncc1 11a_100000720768_100000211328 [0,0,0,0,0,1|2,0,1]=4 2508 B15R1.78 N#CCCNC(=O)CSc1ccncc1 1626a_100000720768_100000211328 [0,0,0,0,0,1|2,0,1]=4 2509 B15R1.78 N#CCCNC(=O)CSc1ccncc1 240690a_100000720768_100000211328 [0,0,0,0,0,1|2,0,1]=4 2510 B15R1.78 N#CCCNC(=O)CSc1ccncc1 527a_100000720768_100000211328 [0,0,0,0,0,1|2,0,1]=4 2511 B15R1.78 N#CCCNC(=O)NCc1ccccc1 2708a_100000720768_100015324214 [0,0,0,0,0,1|1,0,1]=3 2512 B15R1.78 N#CCCNC(=O)NCc1ccccc1 2708a_100015324214_100000720768 [0,0,0,0,0,1|1,0,1]=3 2513 B15R1.78 N#CCCNC(=O)NCc1ccccc1 273464a_100000720768_100015324214 [0,0,0,0,0,1|1,0,1]=3 2514 B15R1.78 N#CCCNC(=O)NCc1ccccc1 273464a_100015324214_100000720768 [0,0,0,0,0,1|1,0,1]=3 2515 B15R1.78 N#CCCNC(=O)NCc1ccccc1 512a_100000720768_100015324214 [0,0,0,0,0,1|1,0,1]=3 2516 B15R1.78 N#CCCNC(=O)NCc1ccccc1 512a_100015324214_100000720768 [0,0,0,0,0,1|1,0,1]=3 2517 B15R1.78 N#CCCNC(=O)NCc1ccccn1 2708a_100000210449_100000720768 [0,0,0,0,0,1|2,0,1]=4 2518 B15R1.78 N#CCCNC(=O)NCc1ccccn1 2708a_100000720768_100000210449 [0,0,0,0,0,1|2,0,1]=4 2519 B15R1.78 N#CCCNC(=O)NCc1ccccn1 273464a_100000210449_100000720768 [0,0,0,0,0,1|2,0,1]=4 2520 B15R1.78 N#CCCNC(=O)NCc1ccccn1 273464a_100000720768_100000210449 [0,0,0,0,0,1|2,0,1]=4 2521 B15R1.78 N#CCCNC(=O)NCc1ccccn1 512a_100000720768_100000210449 [0,0,0,0,0,1|2,0,1]=4 2522 B15R1.78 N#CCCNC(=O)NCc1cccnc1 2708a_100000210453_100000720768 [0,0,0,0,0,1|2,0,1]=4 2523 B15R1.78 N#CCCNC(=O)NCc1cccnc1 2708a_100000720768_100000210453 [0,0,0,0,0,1|2,0,1]=4 2524 B15R1.78 N#CCCNC(=O)NCc1cccnc1 273464a_100000210453_100000720768 [0,0,0,0,0,1|2,0,1]=4 2525 B15R1.78 N#CCCNC(=O)NCc1cccnc1 273464a_100000720768_100000210453 [0,0,0,0,0,1|2,0,1]=4 2526 B15R1.78 N#CCCNC(=O)NCc1cccnc1 512a_100000210453_100000720768 [0,0,0,0,0,1|2,0,1]=4 2527 B15R1.78 N#CCCNC(=O)NCc1cccnc1 512a_100000720768_100000210453 [0,0,0,0,0,1|2,0,1]=4 2528 B15R1.78 N#CCCNC(=O)NCc1ccncc1 2708a_100000210450_100000720768 [0,0,0,0,0,1|2,0,1]=4 2529 B15R1.78 N#CCCNC(=O)NCc1ccncc1 2708a_100000720768_100000210450 [0,0,0,0,0,1|2,0,1]=4 2530 B15R1.78 N#CCCNC(=O)NCc1ccncc1 273464a_100000210450_100000720768 [0,0,0,0,0,1|2,0,1]=4 2531 B15R1.78 N#CCCNC(=O)NCc1ccncc1 273464a_100000720768_100000210450 [0,0,0,0,0,1|2,0,1]=4 2532 B15R1.78 N#CCCNC(=O)NCc1ccncc1 512a_100000720768_100000210450 [0,0,0,0,0,1|2,0,1]=4 2533 B15R1.78 N#CCCNC(=O)NNc1ccccc1 273464a_100000720768_100015195140 [0,0,0,0,0,1|2,0,1]=4 2534 B15R1.78 N#CCCNC(=O)NNc1ccccc1 512a_100000720768_100015195140 [0,0,0,0,0,1|2,0,1]=4 2535 B15R1.78 N#CCNCC(O)COc1ccccc1 2230a_100000738913_100011215382 [0,0,0,0,0,1|3,0,0]=4 2536 B12R0.206 C=CC=CC(=O)CCCCCC#N 1458a_100016291481_100009813376 [1,0,1,0,0,0|2,0,0]=4 2537 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [2,0,0,0,0,0|2,0,0]=4 2538 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [2,0,0,0,0,0|2,0,0]=4 2539 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [2,0,0,0,0,0|2,0,0]=4 2540 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [2,0,0,0,0,0|2,0,0]=4 2541 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [2,0,0,0,0,0|2,0,0]=4 2542 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [2,0,0,0,0,0|2,0,0]=4 2543 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [2,0,0,0,0,0|1,0,0]=3 2544 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [2,0,0,0,0,0|1,0,0]=3 2545 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [2,0,0,0,0,0|1,0,0]=3 2546 B12R1.8 C#CCCNCc1ccccn1 34a_100000755551_100000721315 [2,0,0,0,0,0|2,0,0]=4 2547 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [2,0,0,0,0,0|2,0,0]=4 2548 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [2,0,0,0,0,0|2,0,0]=4 2549 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [2,0,0,0,0,0|2,0,0]=4 2550 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [2,0,0,0,0,0|2,0,0]=4 2551 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [2,0,0,0,0,0|2,0,0]=4 2552 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [2,0,0,0,0,0|2,0,0]=4 2553 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [2,0,0,0,0,0|0,0,1]=3 2554 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [2,0,0,0,0,0|0,0,1]=3 2555 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [2,0,0,0,0,0|0,0,1]=3 2556 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [2,0,0,0,0,0|1,0,1]=4 2557 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [2,0,0,0,0,0|1,0,1]=4 2558 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [2,0,0,0,0,0|1,0,1]=4 2559 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [2,0,0,0,0,0|1,0,1]=4 2560 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [2,0,0,0,0,0|1,0,1]=4 2561 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [2,0,0,0,0,0|1,0,1]=4 2562 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [2,0,0,0,0,0|1,0,1]=4 2563 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [2,0,0,0,0,0|1,0,1]=4 2564 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [2,0,0,0,0,0|1,0,1]=4 2565 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [2,0,0,0,0,0|1,0,1]=4 2566 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [2,0,0,0,0,0|0,0,2]=4 2567 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [2,0,0,0,0,0|0,0,2]=4 2568 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [2,0,0,0,0,0|0,0,2]=4 2569 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [2,0,0,0,0,0|1,0,1]=4 2570 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [2,0,0,0,0,0|1,0,1]=4 2571 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [2,0,0,0,0,0|1,0,1]=4 2572 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [2,0,0,0,0,0|1,0,1]=4 2573 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [2,0,0,0,0,0|1,0,1]=4 2574 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [2,0,0,0,0,0|1,0,1]=4 2575 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2576 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [2,0,0,0,0,0|1,0,1]=4 2577 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [2,0,0,0,0,0|1,0,1]=4 2578 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [2,0,0,0,0,0|1,0,1]=4 2579 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [2,0,0,0,0,0|0,0,1]=3 2580 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [2,0,0,0,0,0|0,0,1]=3 2581 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [2,0,0,0,0,0|1,0,1]=4 2582 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [2,0,0,0,0,0|1,0,1]=4 2583 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [2,0,0,0,0,0|1,0,1]=4 2584 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [2,0,0,0,0,0|1,0,1]=4 2585 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [2,0,0,0,0,0|1,0,1]=4 2586 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [2,0,0,0,0,0|1,0,1]=4 2587 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [2,0,0,0,0,0|2,0,0]=4 2588 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [2,0,0,0,0,0|2,0,0]=4 2589 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [2,0,0,0,0,0|2,0,0]=4 2590 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [2,0,0,0,0,0|2,0,0]=4 2591 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [2,0,0,0,0,0|2,0,0]=4 2592 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [2,0,0,0,0,0|2,0,0]=4 2593 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [2,0,0,0,0,0|2,0,0]=4 2594 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [2,0,0,0,0,0|2,0,0]=4 2595 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [2,0,0,0,0,0|2,0,0]=4 2596 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [2,0,0,0,0,0|2,0,0]=4 2597 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [2,0,0,0,0,0|2,0,0]=4 2598 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [2,0,0,0,0,0|2,0,0]=4 2599 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [2,0,0,0,0,0|2,0,0]=4 2600 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [2,0,0,0,0,0|2,0,0]=4 2601 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [2,0,0,0,0,0|1,0,1]=4 2602 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [2,0,0,0,0,0|2,0,0]=4 2603 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [2,0,0,0,0,0|2,0,0]=4 2604 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [2,0,0,0,0,0|2,0,0]=4 2605 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [2,0,0,0,0,0|2,0,0]=4 2606 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [2,0,0,0,0,0|2,0,0]=4 2607 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [2,0,0,0,0,0|2,0,0]=4 2608 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [2,0,0,0,0,0|2,0,0]=4 2609 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [2,0,0,0,0,0|1,0,1]=4 2610 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [2,0,0,0,0,0|1,0,1]=4 2611 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [2,0,0,0,0,0|1,0,1]=4 2612 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [2,0,0,0,0,0|1,0,1]=4 2613 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [2,0,0,0,0,0|1,0,1]=4 2614 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [2,0,0,0,0,0|1,0,1]=4 2615 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [2,0,0,0,0,0|1,0,1]=4 2616 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [2,0,0,0,0,0|1,0,1]=4 2617 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [2,0,0,0,0,0|1,0,0]=3 2618 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [2,0,0,0,0,0|1,0,0]=3 2619 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [2,0,0,0,0,0|1,0,0]=3 2620 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [2,0,0,0,0,0|2,0,0]=4 2621 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [2,0,0,0,0,0|2,0,0]=4 2622 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [2,0,0,0,0,0|2,0,0]=4 2623 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [2,0,0,0,0,0|2,0,0]=4 2624 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [2,0,0,0,0,0|2,0,0]=4 2625 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [2,0,0,0,0,0|1,0,0]=3 2626 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [2,0,0,0,0,0|2,0,0]=4 2627 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [2,0,0,0,0,0|1,0,0]=3 2628 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [2,0,0,0,0,0|1,0,0]=3 2629 B12R1.8 N#CCCCSc1ccccn1 62a_100000687738_100011216584 [2,0,0,0,0,0|2,0,0]=4 2630 B12R1.8 N#CCCCSc1ccccn1 62a_100011216584_100000687738 [2,0,0,0,0,0|2,0,0]=4 2631 B12R1.8 N#CCCCSc1cccnc1 62a_100000210063_100000687738 [2,0,0,0,0,0|2,0,0]=4 2632 B12R1.8 N#CCCCSc1cccnc1 62a_100000687738_100000210063 [2,0,0,0,0,0|2,0,0]=4 2633 B12R1.8 N#CCCCSc1ccncc1 62a_100000687738_100000728582 [2,0,0,0,0,0|2,0,0]=4 2634 B12R1.8 N#CCCCSc1ccncc1 62a_100000728582_100000687738 [2,0,0,0,0,0|2,0,0]=4 2635 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [2,0,0,0,0,0|0,0,0]=2 2636 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [2,0,0,0,0,0|0,0,0]=2 2637 B12R1.8 N#CCCNCc1ccccn1 270004a_100000720768_100000209966 [2,0,0,0,0,0|1,0,0]=3 2638 B12R1.8 N#CCCNCc1cccnc1 270004a_100000720768_100000209961 [2,0,0,0,0,0|1,0,0]=3 2639 B12R1.8 N#CCCNCc1cccnn1 2230a_100159270163_100011215226 [2,0,0,0,0,0|2,0,0]=4 2640 B12R1.8 N#CCCNCc1ccnnc1 270004a_100000720768_100011934578 [2,0,0,0,0,0|2,0,0]=4 2641 B12R1.8 N#CCCNCc1cnccn1 270004a_100000720768_100000749867 [2,0,0,0,0,0|2,0,0]=4 2642 B12R1.8 N#CCCNCc1cncnc1 2230a_100011243677_100011215226 [2,0,0,0,0,0|2,0,0]=4 2643 B12R1.8 N#CCCNCc1cncnc1 270004a_100000720768_100000749868 [2,0,0,0,0,0|2,0,0]=4 2644 B12R1.8 N#CCCNCc1ncccn1 270004a_100000720768_100011532527 [2,0,0,0,0,0|2,0,0]=4 2645 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [2,0,0,0,0,0|1,0,0]=3 2646 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [2,0,0,0,0,0|1,0,0]=3 2647 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [2,0,0,0,0,0|1,0,0]=3 2648 B12R1.8 N#CCCSCc1ccccn1 62a_100000721315_100011215226 [2,0,0,0,0,0|2,0,0]=4 2649 B12R1.8 N#CCCSCc1ccccn1 62a_100011215226_100000721315 [2,0,0,0,0,0|2,0,0]=4 2650 B12R1.8 N#CCCSCc1cccnc1 62a_100000741622_100011215226 [2,0,0,0,0,0|2,0,0]=4 2651 B12R1.8 N#CCCSCc1cccnc1 62a_100011215226_100000741622 [2,0,0,0,0,0|2,0,0]=4 2652 B12R1.8 N#CCCSCc1ccncc1 62a_100011215226_100015193705 [2,0,0,0,0,0|2,0,0]=4 2653 B12R1.8 N#CCCSCc1ccncc1 62a_100015193705_100011215226 [2,0,0,0,0,0|2,0,0]=4 2654 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [2,0,0,0,0,0|0,0,0]=2 2655 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [2,0,0,0,0,0|1,0,0]=3 2656 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [2,0,0,0,0,0|1,0,0]=3 2657 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [2,0,0,0,0,0|1,0,0]=3 2658 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [2,0,0,0,0,0|1,0,0]=3 2659 B12R1.8 N#CCSCCc1ccccn1 62a_100011215382_100015183660 [2,0,0,0,0,0|2,0,0]=4 2660 B12R1.8 N#CCSCCc1ccccn1 62a_100015183660_100011215382 [2,0,0,0,0,0|2,0,0]=4 2661 B12R1.8 N#CCSCCc1cccnc1 62a_100011215382_200011713674 [2,0,0,0,0,0|2,0,0]=4 2662 B12R1.8 N#CCSCCc1cccnc1 62a_200011713674_100011215382 [2,0,0,0,0,0|2,0,0]=4 2663 B12R1.8 N#CCSCCc1ccncc1 62a_100000723409_100011215382 [2,0,0,0,0,0|2,0,0]=4 2664 B12R1.8 N#CCSCCc1ccncc1 62a_100011215382_100000723409 [2,0,0,0,0,0|2,0,0]=4 2665 B12R1.8 N#CCSCSc1ccccc1 62a_100011215382_100011218342 [2,0,0,0,0,0|2,0,0]=4 2666 B12R1.8 N#CCSCSc1ccccc1 62a_100011218342_100011215382 [2,0,0,0,0,0|2,0,0]=4 2667 B12R1.8 N#CSCCSc1ccccc1 62a_100000034367_100000041952 [2,0,0,0,0,0|2,0,0]=4 2668 B12R1.8 N#CSCCSc1ccccc1 62a_100000719477_100000034367 [2,0,0,0,0,0|2,0,0]=4 2669 B12R1.8 N#CSCSCc1ccccc1 62a_100000211182_100000211825 [2,0,0,0,0,0|2,0,0]=4 2670 B12R1.8 N#CSCSCc1ccccc1 62a_100000211825_100015291786 [2,0,0,0,0,0|2,0,0]=4 2671 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [2,0,0,0,0,0|1,0,1]=4 2672 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [2,0,0,0,0,0|1,0,1]=4 2673 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [2,0,0,0,0,0|1,0,1]=4 2674 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [2,0,0,0,0,0|1,0,1]=4 2675 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [2,0,0,0,0,0|1,0,1]=4 2676 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [2,0,0,0,0,0|1,0,1]=4 2677 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [2,0,0,0,0,0|1,0,1]=4 2678 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [2,0,0,0,0,0|1,0,0]=3 2679 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [2,0,0,0,0,0|1,0,0]=3 2680 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [2,0,0,0,0,0|1,0,0]=3 2681 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [2,0,0,0,0,0|1,0,0]=3 2682 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [2,0,0,0,0,0|2,0,0]=4 2683 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [2,0,0,0,0,0|2,0,0]=4 2684 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [2,0,0,0,0,0|2,0,0]=4 2685 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [2,0,0,0,0,0|2,0,0]=4 2686 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [2,0,0,0,0,0|2,0,0]=4 2687 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [2,0,0,0,0,0|2,0,0]=4 2688 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [2,0,0,0,0,0|2,0,0]=4 2689 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [2,0,0,0,0,0|2,0,0]=4 2690 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [2,0,0,0,0,0|2,0,0]=4 2691 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [2,0,0,0,0,0|2,0,0]=4 2692 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [2,0,0,0,0,0|2,0,0]=4 2693 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [2,0,0,0,0,0|2,0,0]=4 2694 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [2,0,0,0,0,0|2,0,0]=4 2695 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [2,0,0,0,0,0|2,0,0]=4 2696 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [2,0,0,0,0,0|2,0,0]=4 2697 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [2,0,0,0,0,0|2,0,0]=4 2698 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [2,0,0,0,0,0|1,0,1]=4 2699 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [2,0,0,0,0,0|1,0,1]=4 2700 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [2,0,0,0,0,0|1,0,1]=4 2701 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [2,0,0,0,0,0|1,0,1]=4 2702 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [2,0,0,0,0,0|1,0,1]=4 2703 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [2,0,0,0,0,0|1,0,1]=4 2704 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [2,0,0,0,0,0|1,0,1]=4 2705 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [2,0,0,0,0,0|1,0,1]=4 2706 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [2,0,0,0,0,0|1,0,1]=4 2707 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [2,0,0,0,0,0|1,0,1]=4 2708 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [2,0,0,0,0,0|1,0,0]=3 2709 B12R1.32 CC(CC#N)Oc1cccnc1 7a_100000210849_100009813641 [2,0,0,0,0,0|2,0,0]=4 2710 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [2,0,0,0,0,0|1,0,0]=3 2711 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [2,0,0,0,0,0|1,0,0]=3 2712 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100009813641_100011216584 [2,0,0,0,0,0|2,0,0]=4 2713 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100011216584_100009813641 [2,0,0,0,0,0|2,0,0]=4 2714 B12R1.32 CC(CC#N)Sc1cccnc1 62a_100000210063_100009813641 [2,0,0,0,0,0|2,0,0]=4 2715 B12R1.32 CC(CC#N)Sc1cccnc1 62a_100009813641_100000210063 [2,0,0,0,0,0|2,0,0]=4 2716 B12R1.32 CC(CC#N)Sc1ccncc1 62a_100000728582_100009813641 [2,0,0,0,0,0|2,0,0]=4 2717 B12R1.32 CC(CC#N)Sc1ccncc1 62a_100009813641_100000728582 [2,0,0,0,0,0|2,0,0]=4 2718 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [2,0,0,0,0,0|2,0,0]=4 2719 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [2,0,0,0,0,0|2,0,0]=4 2720 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [2,0,0,0,0,0|2,0,0]=4 2721 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [2,0,0,0,0,0|2,0,0]=4 2722 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [2,0,0,0,0,0|2,0,0]=4 2723 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [2,0,0,0,0,0|1,0,1]=4 2724 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [2,0,0,0,0,0|1,0,1]=4 2725 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [2,0,0,0,0,0|2,0,0]=4 2726 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [2,0,0,0,0,0|2,0,0]=4 2727 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [2,0,0,0,0,0|2,0,0]=4 2728 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [2,0,0,0,0,0|2,0,0]=4 2729 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [2,0,0,0,0,0|1,0,1]=4 2730 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [2,0,0,0,0,0|1,0,1]=4 2731 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [2,0,0,0,0,0|1,0,1]=4 2732 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [2,0,0,0,0,0|1,0,1]=4 2733 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [2,0,0,0,0,0|1,0,1]=4 2734 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [2,0,0,0,0,0|1,0,1]=4 2735 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [2,0,0,0,0,0|1,0,1]=4 2736 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [2,0,0,0,0,0|1,0,1]=4 2737 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [2,0,0,0,0,0|1,0,1]=4 2738 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [2,0,0,0,0,0|1,0,1]=4 2739 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [2,0,0,0,0,0|1,0,1]=4 2740 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [2,0,0,0,0,0|1,0,1]=4 2741 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [2,0,0,0,0,0|1,0,1]=4 2742 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [2,0,0,0,0,0|1,0,1]=4 2743 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [2,0,0,0,0,0|1,0,0]=3 2744 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [2,0,0,0,0,0|1,0,0]=3 2745 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [2,0,0,0,0,0|1,0,0]=3 2746 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [2,0,0,0,0,0|1,0,0]=3 2747 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [2,0,0,0,0,0|1,0,0]=3 2748 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [2,0,0,0,0,0|2,0,0]=4 2749 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [2,0,0,0,0,0|2,0,0]=4 2750 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [2,0,0,0,0,0|1,0,0]=3 2751 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [2,0,0,0,0,0|1,0,0]=3 2752 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [2,0,0,0,0,0|1,0,0]=3 2753 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [2,0,0,0,0,0|1,0,0]=3 2754 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [2,0,0,0,0,0|1,0,0]=3 2755 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [2,0,0,0,0,0|1,0,0]=3 2756 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [2,0,0,0,0,0|1,0,0]=3 2757 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [2,0,0,0,0,0|1,0,0]=3 2758 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [2,0,0,0,0,0|1,0,0]=3 2759 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000207498_100011215382 [2,0,0,0,0,0|2,0,0]=4 2760 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000748184_100000721315 [2,0,0,0,0,0|2,0,0]=4 2761 B12R1.32 CN(CC#N)Cc1ccccn1 269982a_100000207498_100011214920 [2,0,0,0,0,0|2,0,0]=4 2762 B12R1.32 CN(CC#N)Cc1cccnc1 2230a_100000184577_100011215382 [2,0,0,0,0,0|2,0,0]=4 2763 B12R1.32 CN(CC#N)Cc1cccnc1 2230a_100000748184_100000741622 [2,0,0,0,0,0|2,0,0]=4 2764 B12R1.32 CN(CC#N)Cc1cccnc1 269982a_100000184577_100011214920 [2,0,0,0,0,0|2,0,0]=4 2765 B12R1.32 CN(CC#N)Cc1ccncc1 2230a_100000187231_100011215382 [2,0,0,0,0,0|2,0,0]=4 2766 B12R1.32 CN(CC#N)Cc1ccncc1 2230a_100000748184_100015193705 [2,0,0,0,0,0|2,0,0]=4 2767 B12R1.32 CN(CC#N)Cc1ccncc1 269982a_100000187231_100011214920 [2,0,0,0,0,0|2,0,0]=4 2768 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [2,0,0,0,0,0|2,0,0]=4 2769 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [2,0,0,0,0,0|2,0,0]=4 2770 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [2,0,0,0,0,0|2,0,0]=4 2771 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [2,0,0,0,0,0|2,0,0]=4 2772 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [2,0,0,0,0,0|2,0,0]=4 2773 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [2,0,0,0,0,0|2,0,0]=4 2774 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [2,0,0,0,0,0|2,0,0]=4 2775 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [2,0,0,0,0,0|2,0,0]=4 2776 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [2,0,0,0,0,0|2,0,0]=4 2777 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [2,0,0,0,0,0|1,0,1]=4 2778 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [2,0,0,0,0,0|1,0,1]=4 2779 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [2,0,0,0,0,0|1,0,1]=4 2780 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [2,0,0,0,0,0|1,0,0]=3 2781 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [2,0,0,0,0,0|2,0,0]=4 2782 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [2,0,0,0,0,0|2,0,0]=4 2783 B14R1.14 C#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000688953 [1,1,0,0,0,0|1,0,0]=3 2784 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755551_100011740612 [1,1,0,0,0,0|1,0,0]=3 2785 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755846_100000688953 [1,1,0,0,0,0|1,0,0]=3 2786 B14R1.14 C#CCCNCCc1ccc(cc1)C 2230a_100000705350_100000688953 [1,1,0,0,0,0|1,0,0]=3 2787 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000705350_100000688953 [1,1,0,0,0,0|1,0,0]=3 2788 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000755551_100011713686 [1,1,0,0,0,0|1,0,0]=3 2789 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000688953 [1,1,0,0,0,0|1,0,0]=3 2790 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000688953 [1,1,0,0,0,0|1,0,0]=3 2791 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000755551_100011713675 [1,1,0,0,0,0|1,0,0]=3 2792 B14R1.14 C#CCCNCCc1ccc(cc1)F 2230a_100000199005_100000688953 [1,1,0,0,0,0|1,0,0]=3 2793 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000199005_100000688953 [1,1,0,0,0,0|1,0,0]=3 2794 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000755551_100011217392 [1,1,0,0,0,0|1,0,0]=3 2795 B14R1.14 C#CCCNCCc1ccc(cc1)O 34a_100000743037_100000688953 [1,1,0,0,0,0|1,0,0]=3 2796 B14R1.14 C#CCCOCCc1ccc(cc1)Br 34a_100000766406_100000688953 [1,1,0,0,0,0|2,0,0]=4 2797 B14R1.14 C#CCCOCCc1ccc(cc1)Br 34a_100011215631_100011740612 [1,1,0,0,0,0|2,0,0]=4 2798 B14R1.14 C#CCCOCCc1ccc(cc1)Br 7a_100000766406_100000688953 [1,1,0,0,0,0|2,0,0]=4 2799 B14R1.14 C#CCCOCCc1ccc(cc1)C 34a_100000756670_100000688953 [1,1,0,0,0,0|2,0,0]=4 2800 B14R1.14 C#CCCOCCc1ccc(cc1)C 34a_100011215631_100011713686 [1,1,0,0,0,0|2,0,0]=4 2801 B14R1.14 C#CCCOCCc1ccc(cc1)C 7a_100000756670_100000688953 [1,1,0,0,0,0|2,0,0]=4 2802 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 34a_100011215631_100011713675 [1,1,0,0,0,0|2,0,0]=4 2803 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000688953 [1,1,0,0,0,0|2,0,0]=4 2804 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000688953 [1,1,0,0,0,0|2,0,0]=4 2805 B14R1.14 C#CCCOCCc1ccc(cc1)F 34a_100000754732_100000688953 [1,1,0,0,0,0|2,0,0]=4 2806 B14R1.14 C#CCCOCCc1ccc(cc1)F 34a_100011215631_100011217392 [1,1,0,0,0,0|2,0,0]=4 2807 B14R1.14 C#CCCOCCc1ccc(cc1)F 7a_100000754732_100000688953 [1,1,0,0,0,0|2,0,0]=4 2808 B14R1.14 C#CCCOCCc1ccc(cc1)I 34a_100012291149_100000688953 [1,1,0,0,0,0|2,0,0]=4 2809 B14R1.14 C#CCCOCCc1ccc(cc1)I 7a_100012291149_100000688953 [1,1,0,0,0,0|2,0,0]=4 2810 B14R1.14 C#CCCOCCc1ccc(cc1)N 34a_100011204434_100000688953 [1,1,0,0,0,0|2,0,0]=4 2811 B14R1.14 C#CCCSCCc1ccc(cc1)Br 62a_100000688953_100011740612 [1,1,0,0,0,0|2,0,0]=4 2812 B14R1.14 C#CCCSCCc1ccc(cc1)Br 62a_100011740612_100000688953 [1,1,0,0,0,0|2,0,0]=4 2813 B14R1.14 C#CCCSCCc1ccc(cc1)C 62a_100000688953_100011713686 [1,1,0,0,0,0|2,0,0]=4 2814 B14R1.14 C#CCCSCCc1ccc(cc1)C 62a_100011713686_100000688953 [1,1,0,0,0,0|2,0,0]=4 2815 B14R1.14 C#CCCSCCc1ccc(cc1)Cl 62a_100000688953_100011713675 [1,1,0,0,0,0|2,0,0]=4 2816 B14R1.14 C#CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000688953 [1,1,0,0,0,0|2,0,0]=4 2817 B14R1.14 C#CCCSCCc1ccc(cc1)F 62a_100000688953_100011217392 [1,1,0,0,0,0|2,0,0]=4 2818 B14R1.14 C#CCCSCCc1ccc(cc1)F 62a_100011217392_100000688953 [1,1,0,0,0,0|2,0,0]=4 2819 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100000688953_100009816426 [1,1,0,0,0,0|2,0,0]=4 2820 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100009816426_100000688953 [1,1,0,0,0,0|2,0,0]=4 2821 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000754431 [1,1,0,0,0,0|1,0,1]=4 2822 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100015191253_100011740612 [1,1,0,0,0,0|1,0,1]=4 2823 B14R1.14 C=CCCNCCc1ccc(cc1)Br 34a_100000755846_100000754431 [1,1,0,0,0,0|1,0,1]=4 2824 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100000705350_100000754431 [1,1,0,0,0,0|1,0,1]=4 2825 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100015191253_100011713686 [1,1,0,0,0,0|1,0,1]=4 2826 B14R1.14 C=CCCNCCc1ccc(cc1)C 34a_100000705350_100000754431 [1,1,0,0,0,0|1,0,1]=4 2827 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000754431 [1,1,0,0,0,0|1,0,1]=4 2828 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100015191253_100011713675 [1,1,0,0,0,0|1,0,1]=4 2829 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000754431 [1,1,0,0,0,0|1,0,1]=4 2830 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100000199005_100000754431 [1,1,0,0,0,0|1,0,1]=4 2831 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100015191253_100011217392 [1,1,0,0,0,0|1,0,1]=4 2832 B14R1.14 C=CCCNCCc1ccc(cc1)F 34a_100000199005_100000754431 [1,1,0,0,0,0|1,0,1]=4 2833 B14R1.14 C=CCCNCCc1ccc(cc1)O 2230a_100015191253_100009816426 [1,1,0,0,0,0|1,0,1]=4 2834 B14R1.14 C=CCCNCCc1ccc(cc1)O 34a_100000743037_100000754431 [1,1,0,0,0,0|1,0,1]=4 2835 B14R1.14 CC#CCNCCc1ccc(cc1)Br 2230a_100000685387_100011740612 [1,1,0,0,0,0|1,0,1]=4 2836 B14R1.14 CC#CCNCCc1ccc(cc1)Br 2230a_100000755846_100000748600 [1,1,0,0,0,0|1,0,1]=4 2837 B14R1.14 CC#CCNCCc1ccc(cc1)Br 34a_100000685387_100011740612 [1,1,0,0,0,0|1,0,1]=4 2838 B14R1.14 CC#CCNCCc1ccc(cc1)Br 34a_100000755846_100000748600 [1,1,0,0,0,0|1,0,1]=4 2839 B14R1.14 CC#CCNCCc1ccc(cc1)C 2230a_100000685387_100011713686 [1,1,0,0,0,0|1,0,1]=4 2840 B14R1.14 CC#CCNCCc1ccc(cc1)C 2230a_100000705350_100000748600 [1,1,0,0,0,0|1,0,1]=4 2841 B14R1.14 CC#CCNCCc1ccc(cc1)C 34a_100000685387_100011713686 [1,1,0,0,0,0|1,0,1]=4 2842 B14R1.14 CC#CCNCCc1ccc(cc1)C 34a_100000705350_100000748600 [1,1,0,0,0,0|1,0,1]=4 2843 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000748600 [1,1,0,0,0,0|1,0,1]=4 2844 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 2230a_100000685387_100011713675 [1,1,0,0,0,0|1,0,1]=4 2845 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 34a_100000185265_100000748600 [1,1,0,0,0,0|1,0,1]=4 2846 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 34a_100000685387_100011713675 [1,1,0,0,0,0|1,0,1]=4 2847 B14R1.14 CC#CCNCCc1ccc(cc1)F 2230a_100000199005_100000748600 [1,1,0,0,0,0|1,0,1]=4 2848 B14R1.14 CC#CCNCCc1ccc(cc1)F 2230a_100000685387_100011217392 [1,1,0,0,0,0|1,0,1]=4 2849 B14R1.14 CC#CCNCCc1ccc(cc1)F 34a_100000199005_100000748600 [1,1,0,0,0,0|1,0,1]=4 2850 B14R1.14 CC#CCNCCc1ccc(cc1)F 34a_100000685387_100011217392 [1,1,0,0,0,0|1,0,1]=4 2851 B14R1.14 CC#CCNCCc1ccc(cc1)O 2230a_100000685387_100009816426 [1,1,0,0,0,0|1,0,1]=4 2852 B14R1.14 CC#CCNCCc1ccc(cc1)O 34a_100000743037_100000748600 [1,1,0,0,0,0|1,0,1]=4 2853 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000102301_100011740612 [1,1,0,0,0,0|1,0,1]=4 2854 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210211 [1,1,0,0,0,0|1,0,1]=4 2855 B14R1.14 CCCCNCCc1ccc(cc1)Br 34a_100000755846_100000210210 [1,1,0,0,0,0|1,0,1]=4 2856 B14R1.14 CCCCNCCc1ccc(cc1)Br 7a_106832991798_100011740612 [1,1,0,0,0,0|1,0,1]=4 2857 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000102301_100011713686 [1,1,0,0,0,0|1,0,1]=4 2858 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210211 [1,1,0,0,0,0|1,0,1]=4 2859 B14R1.14 CCCCNCCc1ccc(cc1)C 34a_100000705350_100000210210 [1,1,0,0,0,0|1,0,1]=4 2860 B14R1.14 CCCCNCCc1ccc(cc1)C 7a_106832991798_100011713686 [1,1,0,0,0,0|1,0,1]=4 2861 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000102301_100011713675 [1,1,0,0,0,0|1,0,1]=4 2862 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210211 [1,1,0,0,0,0|1,0,1]=4 2863 B14R1.14 CCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210210 [1,1,0,0,0,0|1,0,1]=4 2864 B14R1.14 CCCCNCCc1ccc(cc1)Cl 7a_106832991798_100011713675 [1,1,0,0,0,0|1,0,1]=4 2865 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000102301_100011217392 [1,1,0,0,0,0|1,0,1]=4 2866 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210211 [1,1,0,0,0,0|1,0,1]=4 2867 B14R1.14 CCCCNCCc1ccc(cc1)F 34a_100000199005_100000210210 [1,1,0,0,0,0|1,0,1]=4 2868 B14R1.14 CCCCNCCc1ccc(cc1)F 7a_106832991798_100011217392 [1,1,0,0,0,0|1,0,1]=4 2869 B14R1.14 CCCCNCCc1ccc(cc1)O 2230a_100000102301_100009816426 [1,1,0,0,0,0|1,0,1]=4 2870 B14R1.14 CCCCNCCc1ccc(cc1)O 34a_100000743037_100000210210 [1,1,0,0,0,0|1,0,1]=4 2871 B14R1.14 CCCCNCCc1ccc(cc1)O 7a_106832991798_100009816426 [1,1,0,0,0,0|1,0,1]=4 2872 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000209980_100011740612 [1,1,0,0,0,0|2,0,0]=4 2873 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000755846_100011201679 [1,1,0,0,0,0|2,0,0]=4 2874 B14R1.14 COCCNCCc1ccc(cc1)Br 34a_100000755846_100011201679 [1,1,0,0,0,0|2,0,0]=4 2875 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000209980_100011713686 [1,1,0,0,0,0|2,0,0]=4 2876 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000705350_100011201679 [1,1,0,0,0,0|2,0,0]=4 2877 B14R1.14 COCCNCCc1ccc(cc1)C 34a_100000705350_100011201679 [1,1,0,0,0,0|2,0,0]=4 2878 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011201679 [1,1,0,0,0,0|2,0,0]=4 2879 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000209980_100011713675 [1,1,0,0,0,0|2,0,0]=4 2880 B14R1.14 COCCNCCc1ccc(cc1)Cl 34a_100000185265_100011201679 [1,1,0,0,0,0|2,0,0]=4 2881 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000199005_100011201679 [1,1,0,0,0,0|2,0,0]=4 2882 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000209980_100011217392 [1,1,0,0,0,0|2,0,0]=4 2883 B14R1.14 COCCNCCc1ccc(cc1)F 34a_100000199005_100011201679 [1,1,0,0,0,0|2,0,0]=4 2884 B14R1.14 COCCNCCc1ccc(cc1)O 2230a_100000209980_100009816426 [1,1,0,0,0,0|2,0,0]=4 2885 B14R1.14 COCCNCCc1ccc(cc1)O 34a_100000743037_100011201679 [1,1,0,0,0,0|2,0,0]=4 2886 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100000755846_100000751147 [1,1,0,0,0,0|2,0,0]=4 2887 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100020590264_100011740612 [1,1,0,0,0,0|2,0,0]=4 2888 B14R1.14 CSCCNCCc1ccc(cc1)Br 34a_100000755846_100000212216 [1,1,0,0,0,0|2,0,0]=4 2889 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100000705350_100000751147 [1,1,0,0,0,0|2,0,0]=4 2890 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100020590264_100011713686 [1,1,0,0,0,0|2,0,0]=4 2891 B14R1.14 CSCCNCCc1ccc(cc1)C 34a_100000705350_100000212216 [1,1,0,0,0,0|2,0,0]=4 2892 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000751147 [1,1,0,0,0,0|2,0,0]=4 2893 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100020590264_100011713675 [1,1,0,0,0,0|2,0,0]=4 2894 B14R1.14 CSCCNCCc1ccc(cc1)Cl 34a_100000185265_100000212216 [1,1,0,0,0,0|2,0,0]=4 2895 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100000199005_100000751147 [1,1,0,0,0,0|2,0,0]=4 2896 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100020590264_100011217392 [1,1,0,0,0,0|2,0,0]=4 2897 B14R1.14 CSCCNCCc1ccc(cc1)F 34a_100000199005_100000212216 [1,1,0,0,0,0|2,0,0]=4 2898 B14R1.14 CSCCNCCc1ccc(cc1)O 2230a_100020590264_100009816426 [1,1,0,0,0,0|2,0,0]=4 2899 B14R1.14 CSCCNCCc1ccc(cc1)O 34a_100000743037_100000212216 [1,1,0,0,0,0|2,0,0]=4 2900 B14R1.14 Cc1ccc(cc1)C=NNCCC#N 4a_100000229987_100000211033 [1,1,0,0,0,0|1,0,1]=4 2901 B14R1.14 Cc1ccc(cc1)CCCNCC#N 2230a_100011236272_100011215382 [1,1,0,0,0,0|2,0,0]=4 2902 B14R1.14 Cc1ccc(cc1)CCCOCC#N 7a_100000189427_100011215382 [1,1,0,0,0,0|2,0,0]=4 2903 B14R1.14 Cc1ccc(cc1)CCNCCC#N 2230a_100000705350_100011215226 [1,1,0,0,0,0|0,0,0]=2 2904 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100000705350_100011934791 [1,1,0,0,0,0|1,0,1]=4 2905 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100015189416_100011713686 [1,1,0,0,0,0|1,0,1]=4 2906 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100000705350_100011934791 [1,1,0,0,0,0|1,0,1]=4 2907 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100015189416_100011713686 [1,1,0,0,0,0|1,0,1]=4 2908 B14R1.14 Cc1ccc(cc1)CCNCCCO 2230a_100000705350_100000230001 [1,1,0,0,0,0|1,0,1]=4 2909 B14R1.14 Cc1ccc(cc1)CCNCCCO 34a_100000705350_100000230001 [1,1,0,0,0,0|1,0,1]=4 2910 B14R1.14 Cc1ccc(cc1)CCOCCC#N 7a_100000756670_100000184422 [1,1,0,0,0,0|1,0,0]=3 2911 B14R1.14 Cc1ccc(cc1)CCSCCC#N 62a_100011215226_100011713686 [1,1,0,0,0,0|1,0,0]=3 2912 B14R1.14 Cc1ccc(cc1)CCSCCC#N 62a_100011713686_100011215226 [1,1,0,0,0,0|1,0,0]=3 2913 B14R1.14 Cc1ccc(cc1)CCSCSC#N 62a_100000211825_100011713686 [1,1,0,0,0,0|2,0,0]=4 2914 B14R1.14 Cc1ccc(cc1)CCSCSC#N 62a_100011713686_100000211825 [1,1,0,0,0,0|2,0,0]=4 2915 B14R1.14 Cc1ccc(cc1)CNCCCC#N 2230a_100000174908_100000687738 [1,1,0,0,0,0|2,0,0]=4 2916 B14R1.14 Cc1ccc(cc1)COCCCC#N 7a_100011215236_100000687738 [1,1,0,0,0,0|2,0,0]=4 2917 B14R1.14 Cc1ccc(cc1)CSCCCC#N 62a_100000210814_100000687738 [1,1,0,0,0,0|2,0,0]=4 2918 B14R1.14 Cc1ccc(cc1)CSCCCC#N 62a_100000687738_100000210814 [1,1,0,0,0,0|2,0,0]=4 2919 B14R1.14 Cc1ccc(cc1)OCCCCC#N 7a_100000210336_100000211819 [1,1,0,0,0,0|2,0,0]=4 2920 B14R1.14 Cc1ccc(cc1)SCCCCC#N 62a_100000186775_100000211819 [1,1,0,0,0,0|2,0,0]=4 2921 B14R1.14 Cc1ccc(cc1)SCCCCC#N 62a_100011219923_100000186775 [1,1,0,0,0,0|2,0,0]=4 2922 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100000755846_100011934791 [1,1,0,0,0,0|1,0,1]=4 2923 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100015189416_100011740612 [1,1,0,0,0,0|1,0,1]=4 2924 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100000755846_100011934791 [1,1,0,0,0,0|1,0,1]=4 2925 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100015189416_100011740612 [1,1,0,0,0,0|1,0,1]=4 2926 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011934791 [1,1,0,0,0,0|1,0,1]=4 2927 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100015189416_100011713675 [1,1,0,0,0,0|1,0,1]=4 2928 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100000185265_100011934791 [1,1,0,0,0,0|1,0,1]=4 2929 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100015189416_100011713675 [1,1,0,0,0,0|1,0,1]=4 2930 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100000199005_100011934791 [1,1,0,0,0,0|1,0,1]=4 2931 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100015189416_100011217392 [1,1,0,0,0,0|1,0,1]=4 2932 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100000199005_100011934791 [1,1,0,0,0,0|1,0,1]=4 2933 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100015189416_100011217392 [1,1,0,0,0,0|1,0,1]=4 2934 B14R1.14 N#CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000211819 [1,1,0,0,0,0|2,0,0]=4 2935 B14R1.14 N#CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000211819 [1,1,0,0,0,0|2,0,0]=4 2936 B14R1.14 N#CCCCCOc1ccc(cc1)Br 7a_100000185759_100000211819 [1,1,0,0,0,0|2,0,0]=4 2937 B14R1.14 N#CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000211819 [1,1,0,0,0,0|2,0,0]=4 2938 B14R1.14 N#CCCCCOc1ccc(cc1)I 7a_100000212066_100000211819 [1,1,0,0,0,0|2,0,0]=4 2939 B14R1.14 N#CCCCCSc1ccc(cc1)Br 62a_100000752885_100000211819 [1,1,0,0,0,0|2,0,0]=4 2940 B14R1.14 N#CCCCCSc1ccc(cc1)Br 62a_100011219923_100000752885 [1,1,0,0,0,0|2,0,0]=4 2941 B14R1.14 N#CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000211819 [1,1,0,0,0,0|2,0,0]=4 2942 B14R1.14 N#CCCCCSc1ccc(cc1)Cl 62a_100011219923_100000755918 [1,1,0,0,0,0|2,0,0]=4 2943 B14R1.14 N#CCCCCSc1ccc(cc1)F 62a_100000211213_100000211819 [1,1,0,0,0,0|2,0,0]=4 2944 B14R1.14 N#CCCCCSc1ccc(cc1)F 62a_100011219923_100000211213 [1,1,0,0,0,0|2,0,0]=4 2945 B14R1.14 N#CCCCCSc1ccc(cc1)N 62a_100000185761_100000211819 [1,1,0,0,0,0|2,0,0]=4 2946 B14R1.14 N#CCCCCSc1ccc(cc1)N 62a_100011219923_100000185761 [1,1,0,0,0,0|2,0,0]=4 2947 B14R1.14 N#CCCCCSc1ccc(cc1)O 62a_100011219923_100000185759 [1,1,0,0,0,0|2,0,0]=4 2948 B14R1.14 N#CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000687738 [1,1,0,0,0,0|2,0,0]=4 2949 B14R1.14 N#CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000687738 [1,1,0,0,0,0|2,0,0]=4 2950 B14R1.14 N#CCCCNCc1ccc(cc1)F 2230a_100000174882_100000687738 [1,1,0,0,0,0|2,0,0]=4 2951 B14R1.14 N#CCCCNCc1ccc(cc1)I 2230a_100016989417_100000687738 [1,1,0,0,0,0|2,0,0]=4 2952 B14R1.14 N#CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000687738 [1,1,0,0,0,0|2,0,0]=4 2953 B14R1.14 N#CCCCOCc1ccc(cc1)F 7a_100000210977_100000687738 [1,1,0,0,0,0|2,0,0]=4 2954 B14R1.14 N#CCCCOCc1ccc(cc1)I 7a_100000690907_100000687738 [1,1,0,0,0,0|2,0,0]=4 2955 B14R1.14 N#CCCCSCc1ccc(cc1)Br 62a_100000189115_100000687738 [1,1,0,0,0,0|2,0,0]=4 2956 B14R1.14 N#CCCCSCc1ccc(cc1)Br 62a_100000687738_100000189115 [1,1,0,0,0,0|2,0,0]=4 2957 B14R1.14 N#CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000687738 [1,1,0,0,0,0|2,0,0]=4 2958 B14R1.14 N#CCCCSCc1ccc(cc1)Cl 62a_100000687738_100000187161 [1,1,0,0,0,0|2,0,0]=4 2959 B14R1.14 N#CCCCSCc1ccc(cc1)F 62a_100000198546_100000687738 [1,1,0,0,0,0|2,0,0]=4 2960 B14R1.14 N#CCCCSCc1ccc(cc1)F 62a_100000687738_100000187164 [1,1,0,0,0,0|2,0,0]=4 2961 B14R1.14 N#CCCCSCc1ccc(cc1)I 62a_100000189116_100000687738 [1,1,0,0,0,0|2,0,0]=4 2962 B14R1.14 N#CCCCSCc1ccc(cc1)I 62a_100000687738_100000189116 [1,1,0,0,0,0|2,0,0]=4 2963 B14R1.14 N#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100011215226 [1,1,0,0,0,0|0,0,0]=2 2964 B14R1.14 N#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215226 [1,1,0,0,0,0|0,0,0]=2 2965 B14R1.14 N#CCCNCCc1ccc(cc1)F 2230a_100000199005_100011215226 [1,1,0,0,0,0|0,0,0]=2 2966 B14R1.14 N#CCCNN=Cc1ccc(cc1)Br 4a_100000229987_100000186029 [1,1,0,0,0,0|1,0,1]=4 2967 B14R1.14 N#CCCNN=Cc1ccc(cc1)Cl 4a_100000229987_100000189385 [1,1,0,0,0,0|1,0,1]=4 2968 B14R1.14 N#CCCNN=Cc1ccc(cc1)F 4a_100000229987_100000210084 [1,1,0,0,0,0|1,0,1]=4 2969 B14R1.14 N#CCCNN=Cc1ccc(cc1)I 4a_100000229987_100000188517 [1,1,0,0,0,0|1,0,1]=4 2970 B14R1.14 N#CCCNN=Cc1ccc(cc1)O 4a_100000229987_100000185832 [1,1,0,0,0,0|1,0,1]=4 2971 B14R1.14 N#CCCOCCc1ccc(cc1)Br 7a_100000766406_100000184422 [1,1,0,0,0,0|1,0,0]=3 2972 B14R1.14 N#CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000184422 [1,1,0,0,0,0|1,0,0]=3 2973 B14R1.14 N#CCCOCCc1ccc(cc1)F 7a_100000754732_100000184422 [1,1,0,0,0,0|1,0,0]=3 2974 B14R1.14 N#CCCOCCc1ccc(cc1)I 7a_100012291149_100000184422 [1,1,0,0,0,0|1,0,0]=3 2975 B14R1.14 N#CCCOCCc1ccc(nc1)Cl 7a_100009880866_100000184422 [1,1,0,0,0,0|2,0,0]=4 2976 B14R1.14 N#CCCSCCc1ccc(cc1)Br 62a_100011215226_100011740612 [1,1,0,0,0,0|1,0,0]=3 2977 B14R1.14 N#CCCSCCc1ccc(cc1)Br 62a_100011740612_100011215226 [1,1,0,0,0,0|1,0,0]=3 2978 B14R1.14 N#CCCSCCc1ccc(cc1)Cl 62a_100011215226_100011713675 [1,1,0,0,0,0|1,0,0]=3 2979 B14R1.14 N#CCCSCCc1ccc(cc1)Cl 62a_100011713675_100011215226 [1,1,0,0,0,0|1,0,0]=3 2980 B14R1.14 N#CCCSCCc1ccc(cc1)F 62a_100011215226_100011217392 [1,1,0,0,0,0|1,0,0]=3 2981 B14R1.14 N#CCCSCCc1ccc(cc1)F 62a_100011217392_100011215226 [1,1,0,0,0,0|1,0,0]=3 2982 B14R1.14 N#CCCSCCc1ccc(cc1)O 62a_100009816426_100011215226 [1,1,0,0,0,0|1,0,0]=3 2983 B14R1.14 N#CCCSCCc1ccc(cc1)O 62a_100011215226_100009816426 [1,1,0,0,0,0|1,0,0]=3 2984 B14R1.14 N#CCNCCCc1ccc(cc1)Br 2230a_100011297623_100011215382 [1,1,0,0,0,0|2,0,0]=4 2985 B14R1.14 N#CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011215382 [1,1,0,0,0,0|2,0,0]=4 2986 B14R1.14 N#CCNCCCc1ccc(cc1)F 2230a_100025745824_100011215382 [1,1,0,0,0,0|2,0,0]=4 2987 B14R1.14 N#CCOCCCc1ccc(cc1)Br 7a_100011709247_100011215382 [1,1,0,0,0,0|2,0,0]=4 2988 B14R1.14 N#CCOCCCc1ccc(cc1)Cl 7a_100011217485_100011215382 [1,1,0,0,0,0|2,0,0]=4 2989 B14R1.14 N#CCOCCCc1ccc(cc1)F 7a_100000757351_100011215382 [1,1,0,0,0,0|2,0,0]=4 2990 B14R1.14 N#CCSCCCc1ccc(cc1)Br 62a_100011215382_100011713682 [1,1,0,0,0,0|2,0,0]=4 2991 B14R1.14 N#CCSCCCc1ccc(cc1)Br 62a_100011713682_100011215382 [1,1,0,0,0,0|2,0,0]=4 2992 B14R1.14 N#CCSCCCc1ccc(cc1)Cl 62a_100000759440_100011215382 [1,1,0,0,0,0|2,0,0]=4 2993 B14R1.14 N#CCSCCCc1ccc(cc1)Cl 62a_100011215382_100000759440 [1,1,0,0,0,0|2,0,0]=4 2994 B14R1.14 N#CCSCCCc1ccc(cc1)F 62a_100011215382_200011713563 [1,1,0,0,0,0|2,0,0]=4 2995 B14R1.14 N#CCSCCCc1ccc(cc1)F 62a_200011713563_100011215382 [1,1,0,0,0,0|2,0,0]=4 2996 B14R1.14 N#CSCSCCc1ccc(cc1)Br 62a_100000211825_100011740612 [1,1,0,0,0,0|2,0,0]=4 2997 B14R1.14 N#CSCSCCc1ccc(cc1)Br 62a_100011740612_100000211825 [1,1,0,0,0,0|2,0,0]=4 2998 B14R1.14 N#CSCSCCc1ccc(cc1)Cl 62a_100000211825_100011713675 [1,1,0,0,0,0|2,0,0]=4 2999 B14R1.14 N#CSCSCCc1ccc(cc1)Cl 62a_100011713675_100000211825 [1,1,0,0,0,0|2,0,0]=4 3000 B14R1.14 N#CSCSCCc1ccc(cc1)F 62a_100000211825_100011217392 [1,1,0,0,0,0|2,0,0]=4 3001 B14R1.14 N#CSCSCCc1ccc(cc1)F 62a_100011217392_100000211825 [1,1,0,0,0,0|2,0,0]=4 3002 B14R1.14 N#CSCSCCc1ccc(cc1)O 62a_100000211825_100009816426 [1,1,0,0,0,0|2,0,0]=4 3003 B14R1.14 N#CSCSCCc1ccc(cc1)O 62a_100009816426_100000211825 [1,1,0,0,0,0|2,0,0]=4 3004 B14R1.14 OCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000230001 [1,1,0,0,0,0|1,0,1]=4 3005 B14R1.14 OCCCNCCc1ccc(cc1)Br 34a_100000755846_100000230001 [1,1,0,0,0,0|1,0,1]=4 3006 B14R1.14 OCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000230001 [1,1,0,0,0,0|1,0,1]=4 3007 B14R1.14 OCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000230001 [1,1,0,0,0,0|1,0,1]=4 3008 B14R1.14 OCCCNCCc1ccc(cc1)F 2230a_100000199005_100000230001 [1,1,0,0,0,0|1,0,1]=4 3009 B14R1.14 OCCCNCCc1ccc(cc1)F 34a_100000199005_100000230001 [1,1,0,0,0,0|1,0,1]=4 3010 B14R1.14 OCCCNCCc1ccc(cc1)O 34a_100000743037_100000230001 [1,1,0,0,0,0|1,0,1]=4 3011 B14R1.14 Oc1ccc(cc1)CCNCCCF 2230a_100015189416_100009816426 [1,1,0,0,0,0|1,0,1]=4 3012 B14R1.14 Oc1ccc(cc1)CCNCCCF 34a_100000743037_100011934791 [1,1,0,0,0,0|1,0,1]=4 3013 B14R1.26 C#CCCNCCc1cccc(c1)Br 2230a_100011207229_100000688953 [1,1,0,0,0,0|1,0,0]=3 3014 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100000755551_100011740638 [1,1,0,0,0,0|1,0,0]=3 3015 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100011207229_100000688953 [1,1,0,0,0,0|1,0,0]=3 3016 B14R1.26 C#CCCNCCc1cccc(c1)C 2230a_100000749837_100000688953 [1,1,0,0,0,0|1,0,0]=3 3017 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000749837_100000688953 [1,1,0,0,0,0|1,0,0]=3 3018 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000755551_100011713685 [1,1,0,0,0,0|1,0,0]=3 3019 B14R1.26 C#CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000688953 [1,1,0,0,0,0|1,0,0]=3 3020 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000185263_100000688953 [1,1,0,0,0,0|1,0,0]=3 3021 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000755551_100011713710 [1,1,0,0,0,0|1,0,0]=3 3022 B14R1.26 C#CCCNCCc1cccc(c1)F 2230a_100000205154_100000688953 [1,1,0,0,0,0|1,0,0]=3 3023 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000205154_100000688953 [1,1,0,0,0,0|1,0,0]=3 3024 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000755551_100011217235 [1,1,0,0,0,0|1,0,0]=3 3025 B14R1.26 C#CCCNCCc1cccc(c1)O 2230a_100000747277_100000688953 [1,1,0,0,0,0|1,0,0]=3 3026 B14R1.26 C#CCCNCCc1cccc(c1)O 34a_100000747277_100000688953 [1,1,0,0,0,0|1,0,0]=3 3027 B14R1.26 C#CCCNCCc1cccc(n1)C 2230a_100011824523_100000688953 [1,1,0,0,0,0|2,0,0]=4 3028 B14R1.26 C#CCCNCCc1cccc(n1)C 34a_100011824523_100000688953 [1,1,0,0,0,0|2,0,0]=4 3029 B14R1.26 C#CCCOCCc1cccc(c1)Br 34a_100011215631_100011740638 [1,1,0,0,0,0|2,0,0]=4 3030 B14R1.26 C#CCCOCCc1cccc(c1)Br 34a_100011217444_100000688953 [1,1,0,0,0,0|2,0,0]=4 3031 B14R1.26 C#CCCOCCc1cccc(c1)Br 7a_100011217444_100000688953 [1,1,0,0,0,0|2,0,0]=4 3032 B14R1.26 C#CCCOCCc1cccc(c1)C 34a_100011215631_100011713685 [1,1,0,0,0,0|2,0,0]=4 3033 B14R1.26 C#CCCOCCc1cccc(c1)C 34a_100011217157_100000688953 [1,1,0,0,0,0|2,0,0]=4 3034 B14R1.26 C#CCCOCCc1cccc(c1)C 7a_100011217157_100000688953 [1,1,0,0,0,0|2,0,0]=4 3035 B14R1.26 C#CCCOCCc1cccc(c1)Cl 34a_100000754733_100000688953 [1,1,0,0,0,0|2,0,0]=4 3036 B14R1.26 C#CCCOCCc1cccc(c1)Cl 34a_100011215631_100011713710 [1,1,0,0,0,0|2,0,0]=4 3037 B14R1.26 C#CCCOCCc1cccc(c1)Cl 7a_100000754733_100000688953 [1,1,0,0,0,0|2,0,0]=4 3038 B14R1.26 C#CCCOCCc1cccc(c1)F 34a_100000763591_100000688953 [1,1,0,0,0,0|2,0,0]=4 3039 B14R1.26 C#CCCOCCc1cccc(c1)F 34a_100011215631_100011217235 [1,1,0,0,0,0|2,0,0]=4 3040 B14R1.26 C#CCCOCCc1cccc(c1)F 7a_100000763591_100000688953 [1,1,0,0,0,0|2,0,0]=4 3041 B14R1.26 C#CCCOCCc1cccc(c1)N 34a_100011996697_100000688953 [1,1,0,0,0,0|2,0,0]=4 3042 B14R1.26 C#CCCSCCc1cccc(c1)Br 62a_100000688953_100011740638 [1,1,0,0,0,0|2,0,0]=4 3043 B14R1.26 C#CCCSCCc1cccc(c1)Br 62a_100011740638_100000688953 [1,1,0,0,0,0|2,0,0]=4 3044 B14R1.26 C#CCCSCCc1cccc(c1)C 62a_100000688953_100011713685 [1,1,0,0,0,0|2,0,0]=4 3045 B14R1.26 C#CCCSCCc1cccc(c1)C 62a_100011713685_100000688953 [1,1,0,0,0,0|2,0,0]=4 3046 B14R1.26 C#CCCSCCc1cccc(c1)Cl 62a_100000688953_100011713710 [1,1,0,0,0,0|2,0,0]=4 3047 B14R1.26 C#CCCSCCc1cccc(c1)Cl 62a_100011713710_100000688953 [1,1,0,0,0,0|2,0,0]=4 3048 B14R1.26 C#CCCSCCc1cccc(c1)F 62a_100000688953_100011217235 [1,1,0,0,0,0|2,0,0]=4 3049 B14R1.26 C#CCCSCCc1cccc(c1)F 62a_100011217235_100000688953 [1,1,0,0,0,0|2,0,0]=4 3050 B14R1.26 C=CCCNCCc1cccc(c1)Br 2230a_100011207229_100000754431 [1,1,0,0,0,0|1,0,1]=4 3051 B14R1.26 C=CCCNCCc1cccc(c1)Br 2230a_100015191253_100011740638 [1,1,0,0,0,0|1,0,1]=4 3052 B14R1.26 C=CCCNCCc1cccc(c1)Br 34a_100011207229_100000754431 [1,1,0,0,0,0|1,0,1]=4 3053 B14R1.26 C=CCCNCCc1cccc(c1)C 2230a_100000749837_100000754431 [1,1,0,0,0,0|1,0,1]=4 3054 B14R1.26 C=CCCNCCc1cccc(c1)C 2230a_100015191253_100011713685 [1,1,0,0,0,0|1,0,1]=4 3055 B14R1.26 C=CCCNCCc1cccc(c1)C 34a_100000749837_100000754431 [1,1,0,0,0,0|1,0,1]=4 3056 B14R1.26 C=CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000754431 [1,1,0,0,0,0|1,0,1]=4 3057 B14R1.26 C=CCCNCCc1cccc(c1)Cl 2230a_100015191253_100011713710 [1,1,0,0,0,0|1,0,1]=4 3058 B14R1.26 C=CCCNCCc1cccc(c1)Cl 34a_100000185263_100000754431 [1,1,0,0,0,0|1,0,1]=4 3059 B14R1.26 C=CCCNCCc1cccc(c1)F 2230a_100000205154_100000754431 [1,1,0,0,0,0|1,0,1]=4 3060 B14R1.26 C=CCCNCCc1cccc(c1)F 2230a_100015191253_100011217235 [1,1,0,0,0,0|1,0,1]=4 3061 B14R1.26 C=CCCNCCc1cccc(c1)F 34a_100000205154_100000754431 [1,1,0,0,0,0|1,0,1]=4 3062 B14R1.26 C=CCCNCCc1cccc(c1)O 2230a_100000747277_100000754431 [1,1,0,0,0,0|1,0,1]=4 3063 B14R1.26 C=CCCNCCc1cccc(c1)O 34a_100000747277_100000754431 [1,1,0,0,0,0|1,0,1]=4 3064 B14R1.26 CC#CCNCCc1cccc(c1)Br 2230a_100000685387_100011740638 [1,1,0,0,0,0|1,0,1]=4 3065 B14R1.26 CC#CCNCCc1cccc(c1)Br 2230a_100011207229_100000748600 [1,1,0,0,0,0|1,0,1]=4 3066 B14R1.26 CC#CCNCCc1cccc(c1)Br 34a_100000685387_100011740638 [1,1,0,0,0,0|1,0,1]=4 3067 B14R1.26 CC#CCNCCc1cccc(c1)Br 34a_100011207229_100000748600 [1,1,0,0,0,0|1,0,1]=4 3068 B14R1.26 CC#CCNCCc1cccc(c1)C 2230a_100000685387_100011713685 [1,1,0,0,0,0|1,0,1]=4 3069 B14R1.26 CC#CCNCCc1cccc(c1)C 2230a_100000749837_100000748600 [1,1,0,0,0,0|1,0,1]=4 3070 B14R1.26 CC#CCNCCc1cccc(c1)C 34a_100000685387_100011713685 [1,1,0,0,0,0|1,0,1]=4 3071 B14R1.26 CC#CCNCCc1cccc(c1)C 34a_100000749837_100000748600 [1,1,0,0,0,0|1,0,1]=4 3072 B14R1.26 CC#CCNCCc1cccc(c1)Cl 2230a_100000185263_100000748600 [1,1,0,0,0,0|1,0,1]=4 3073 B14R1.26 CC#CCNCCc1cccc(c1)Cl 2230a_100000685387_100011713710 [1,1,0,0,0,0|1,0,1]=4 3074 B14R1.26 CC#CCNCCc1cccc(c1)Cl 34a_100000185263_100000748600 [1,1,0,0,0,0|1,0,1]=4 3075 B14R1.26 CC#CCNCCc1cccc(c1)Cl 34a_100000685387_100011713710 [1,1,0,0,0,0|1,0,1]=4 3076 B14R1.26 CC#CCNCCc1cccc(c1)F 2230a_100000205154_100000748600 [1,1,0,0,0,0|1,0,1]=4 3077 B14R1.26 CC#CCNCCc1cccc(c1)F 2230a_100000685387_100011217235 [1,1,0,0,0,0|1,0,1]=4 3078 B14R1.26 CC#CCNCCc1cccc(c1)F 34a_100000205154_100000748600 [1,1,0,0,0,0|1,0,1]=4 3079 B14R1.26 CC#CCNCCc1cccc(c1)F 34a_100000685387_100011217235 [1,1,0,0,0,0|1,0,1]=4 3080 B14R1.26 CC#CCNCCc1cccc(c1)O 2230a_100000747277_100000748600 [1,1,0,0,0,0|1,0,1]=4 3081 B14R1.26 CC#CCNCCc1cccc(c1)O 34a_100000747277_100000748600 [1,1,0,0,0,0|1,0,1]=4 3082 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100000102301_100011740638 [1,1,0,0,0,0|1,0,1]=4 3083 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100011207229_100000210211 [1,1,0,0,0,0|1,0,1]=4 3084 B14R1.26 CCCCNCCc1cccc(c1)Br 34a_100011207229_100000210210 [1,1,0,0,0,0|1,0,1]=4 3085 B14R1.26 CCCCNCCc1cccc(c1)Br 7a_106832991798_100011740638 [1,1,0,0,0,0|1,0,1]=4 3086 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000102301_100011713685 [1,1,0,0,0,0|1,0,1]=4 3087 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000749837_100000210211 [1,1,0,0,0,0|1,0,1]=4 3088 B14R1.26 CCCCNCCc1cccc(c1)C 34a_100000749837_100000210210 [1,1,0,0,0,0|1,0,1]=4 3089 B14R1.26 CCCCNCCc1cccc(c1)C 7a_106832991798_100011713685 [1,1,0,0,0,0|1,0,1]=4 3090 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000102301_100011713710 [1,1,0,0,0,0|1,0,1]=4 3091 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210211 [1,1,0,0,0,0|1,0,1]=4 3092 B14R1.26 CCCCNCCc1cccc(c1)Cl 34a_100000185263_100000210210 [1,1,0,0,0,0|1,0,1]=4 3093 B14R1.26 CCCCNCCc1cccc(c1)Cl 7a_106832991798_100011713710 [1,1,0,0,0,0|1,0,1]=4 3094 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000102301_100011217235 [1,1,0,0,0,0|1,0,1]=4 3095 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000205154_100000210211 [1,1,0,0,0,0|1,0,1]=4 3096 B14R1.26 CCCCNCCc1cccc(c1)F 34a_100000205154_100000210210 [1,1,0,0,0,0|1,0,1]=4 3097 B14R1.26 CCCCNCCc1cccc(c1)F 7a_106832991798_100011217235 [1,1,0,0,0,0|1,0,1]=4 3098 B14R1.26 CCCCNCCc1cccc(c1)O 2230a_100000747277_100000210211 [1,1,0,0,0,0|1,0,1]=4 3099 B14R1.26 CCCCNCCc1cccc(c1)O 34a_100000747277_100000210210 [1,1,0,0,0,0|1,0,1]=4 3100 B14R1.26 COCCNCCc1cccc(c1)Br 2230a_100000209980_100011740638 [1,1,0,0,0,0|2,0,0]=4 3101 B14R1.26 COCCNCCc1cccc(c1)Br 2230a_100011207229_100011201679 [1,1,0,0,0,0|2,0,0]=4 3102 B14R1.26 COCCNCCc1cccc(c1)Br 34a_100011207229_100011201679 [1,1,0,0,0,0|2,0,0]=4 3103 B14R1.26 COCCNCCc1cccc(c1)C 2230a_100000209980_100011713685 [1,1,0,0,0,0|2,0,0]=4 3104 B14R1.26 COCCNCCc1cccc(c1)C 2230a_100000749837_100011201679 [1,1,0,0,0,0|2,0,0]=4 3105 B14R1.26 COCCNCCc1cccc(c1)C 34a_100000749837_100011201679 [1,1,0,0,0,0|2,0,0]=4 3106 B14R1.26 COCCNCCc1cccc(c1)Cl 2230a_100000185263_100011201679 [1,1,0,0,0,0|2,0,0]=4 3107 B14R1.26 COCCNCCc1cccc(c1)Cl 2230a_100000209980_100011713710 [1,1,0,0,0,0|2,0,0]=4 3108 B14R1.26 COCCNCCc1cccc(c1)Cl 34a_100000185263_100011201679 [1,1,0,0,0,0|2,0,0]=4 3109 B14R1.26 COCCNCCc1cccc(c1)F 2230a_100000205154_100011201679 [1,1,0,0,0,0|2,0,0]=4 3110 B14R1.26 COCCNCCc1cccc(c1)F 2230a_100000209980_100011217235 [1,1,0,0,0,0|2,0,0]=4 3111 B14R1.26 COCCNCCc1cccc(c1)F 34a_100000205154_100011201679 [1,1,0,0,0,0|2,0,0]=4 3112 B14R1.26 COCCNCCc1cccc(c1)O 2230a_100000747277_100011201679 [1,1,0,0,0,0|2,0,0]=4 3113 B14R1.26 COCCNCCc1cccc(c1)O 34a_100000747277_100011201679 [1,1,0,0,0,0|2,0,0]=4 3114 B14R1.26 CSCCNCCc1cccc(c1)Br 2230a_100011207229_100000751147 [1,1,0,0,0,0|2,0,0]=4 3115 B14R1.26 CSCCNCCc1cccc(c1)Br 2230a_100020590264_100011740638 [1,1,0,0,0,0|2,0,0]=4 3116 B14R1.26 CSCCNCCc1cccc(c1)Br 34a_100011207229_100000212216 [1,1,0,0,0,0|2,0,0]=4 3117 B14R1.26 CSCCNCCc1cccc(c1)C 2230a_100000749837_100000751147 [1,1,0,0,0,0|2,0,0]=4 3118 B14R1.26 CSCCNCCc1cccc(c1)C 2230a_100020590264_100011713685 [1,1,0,0,0,0|2,0,0]=4 3119 B14R1.26 CSCCNCCc1cccc(c1)C 34a_100000749837_100000212216 [1,1,0,0,0,0|2,0,0]=4 3120 B14R1.26 CSCCNCCc1cccc(c1)Cl 2230a_100000185263_100000751147 [1,1,0,0,0,0|2,0,0]=4 3121 B14R1.26 CSCCNCCc1cccc(c1)Cl 2230a_100020590264_100011713710 [1,1,0,0,0,0|2,0,0]=4 3122 B14R1.26 CSCCNCCc1cccc(c1)Cl 34a_100000185263_100000212216 [1,1,0,0,0,0|2,0,0]=4 3123 B14R1.26 CSCCNCCc1cccc(c1)F 2230a_100000205154_100000751147 [1,1,0,0,0,0|2,0,0]=4 3124 B14R1.26 CSCCNCCc1cccc(c1)F 2230a_100020590264_100011217235 [1,1,0,0,0,0|2,0,0]=4 3125 B14R1.26 CSCCNCCc1cccc(c1)F 34a_100000205154_100000212216 [1,1,0,0,0,0|2,0,0]=4 3126 B14R1.26 CSCCNCCc1cccc(c1)O 2230a_100000747277_100000751147 [1,1,0,0,0,0|2,0,0]=4 3127 B14R1.26 CSCCNCCc1cccc(c1)O 34a_100000747277_100000212216 [1,1,0,0,0,0|2,0,0]=4 3128 B14R1.26 Cc1cccc(c1)C=NNCCC#N 4a_100000229987_100000211157 [1,1,0,0,0,0|1,0,1]=4 3129 B14R1.26 Cc1cccc(c1)CCCNCC#N 2230a_103496528808_100011215382 [1,1,0,0,0,0|2,0,0]=4 3130 B14R1.26 Cc1cccc(c1)CCNCCC#N 2230a_100000749837_100011215226 [1,1,0,0,0,0|0,0,0]=2 3131 B14R1.26 Cc1cccc(c1)CCNCCCF 2230a_100000749837_100011934791 [1,1,0,0,0,0|1,0,1]=4 3132 B14R1.26 Cc1cccc(c1)CCNCCCF 2230a_100015189416_100011713685 [1,1,0,0,0,0|1,0,1]=4 3133 B14R1.26 Cc1cccc(c1)CCNCCCF 34a_100000749837_100011934791 [1,1,0,0,0,0|1,0,1]=4 3134 B14R1.26 Cc1cccc(c1)CCNCCCF 34a_100015189416_100011713685 [1,1,0,0,0,0|1,0,1]=4 3135 B14R1.26 Cc1cccc(c1)CCNCCCO 2230a_100000749837_100000230001 [1,1,0,0,0,0|1,0,1]=4 3136 B14R1.26 Cc1cccc(c1)CCNCCCO 34a_100000749837_100000230001 [1,1,0,0,0,0|1,0,1]=4 3137 B14R1.26 Cc1cccc(c1)CCOCCC#N 7a_100011217157_100000184422 [1,1,0,0,0,0|1,0,0]=3 3138 B14R1.26 Cc1cccc(c1)CCSCCC#N 62a_100011215226_100011713685 [1,1,0,0,0,0|1,0,0]=3 3139 B14R1.26 Cc1cccc(c1)CCSCCC#N 62a_100011713685_100011215226 [1,1,0,0,0,0|1,0,0]=3 3140 B14R1.26 Cc1cccc(c1)CCSCSC#N 62a_100000211825_100011713685 [1,1,0,0,0,0|2,0,0]=4 3141 B14R1.26 Cc1cccc(c1)CCSCSC#N 62a_100011713685_100000211825 [1,1,0,0,0,0|2,0,0]=4 3142 B14R1.26 Cc1cccc(c1)CNCCCC#N 2230a_100000185548_100000687738 [1,1,0,0,0,0|2,0,0]=4 3143 B14R1.26 Cc1cccc(c1)COCCCC#N 7a_100011217746_100000687738 [1,1,0,0,0,0|2,0,0]=4 3144 B14R1.26 Cc1cccc(c1)CSCCCC#N 62a_100000211840_100000687738 [1,1,0,0,0,0|2,0,0]=4 3145 B14R1.26 Cc1cccc(c1)CSCCCC#N 62a_100000687738_100000211840 [1,1,0,0,0,0|2,0,0]=4 3146 B14R1.26 Cc1cccc(c1)NCCCCC#N 2230a_100000188690_100000211819 [1,1,0,0,0,0|2,0,0]=4 3147 B14R1.26 Cc1cccc(c1)OCCCCC#N 7a_100000210337_100000211819 [1,1,0,0,0,0|2,0,0]=4 3148 B14R1.26 Cc1cccc(c1)SCCCCC#N 62a_100011215228_100000211819 [1,1,0,0,0,0|2,0,0]=4 3149 B14R1.26 Cc1cccc(c1)SCCCCC#N 62a_100011219923_100011215228 [1,1,0,0,0,0|2,0,0]=4 3150 B14R1.26 Cc1cccc(n1)CCNCCC#N 2230a_100011824523_100011215226 [1,1,0,0,0,0|1,0,0]=3 3151 B14R1.26 FCCCNCCc1cccc(c1)Br 2230a_100011207229_100011934791 [1,1,0,0,0,0|1,0,1]=4 3152 B14R1.26 FCCCNCCc1cccc(c1)Br 2230a_100015189416_100011740638 [1,1,0,0,0,0|1,0,1]=4 3153 B14R1.26 FCCCNCCc1cccc(c1)Br 34a_100011207229_100011934791 [1,1,0,0,0,0|1,0,1]=4 3154 B14R1.26 FCCCNCCc1cccc(c1)Br 34a_100015189416_100011740638 [1,1,0,0,0,0|1,0,1]=4 3155 B14R1.26 FCCCNCCc1cccc(c1)Cl 2230a_100000185263_100011934791 [1,1,0,0,0,0|1,0,1]=4 3156 B14R1.26 FCCCNCCc1cccc(c1)Cl 2230a_100015189416_100011713710 [1,1,0,0,0,0|1,0,1]=4 3157 B14R1.26 FCCCNCCc1cccc(c1)Cl 34a_100000185263_100011934791 [1,1,0,0,0,0|1,0,1]=4 3158 B14R1.26 FCCCNCCc1cccc(c1)Cl 34a_100015189416_100011713710 [1,1,0,0,0,0|1,0,1]=4 3159 B14R1.26 FCCCNCCc1cccc(c1)F 2230a_100000205154_100011934791 [1,1,0,0,0,0|1,0,1]=4 3160 B14R1.26 FCCCNCCc1cccc(c1)F 2230a_100015189416_100011217235 [1,1,0,0,0,0|1,0,1]=4 3161 B14R1.26 FCCCNCCc1cccc(c1)F 34a_100000205154_100011934791 [1,1,0,0,0,0|1,0,1]=4 3162 B14R1.26 FCCCNCCc1cccc(c1)F 34a_100015189416_100011217235 [1,1,0,0,0,0|1,0,1]=4 3163 B14R1.26 N#CCCCCOc1cccc(c1)Br 7a_100000210342_100000211819 [1,1,0,0,0,0|2,0,0]=4 3164 B14R1.26 N#CCCCCOc1cccc(c1)Cl 7a_100000210295_100000211819 [1,1,0,0,0,0|2,0,0]=4 3165 B14R1.26 N#CCCCCOc1cccc(c1)F 7a_100000210426_100000211819 [1,1,0,0,0,0|2,0,0]=4 3166 B14R1.26 N#CCCCCOc1cccc(c1)I 7a_100000211634_100000211819 [1,1,0,0,0,0|2,0,0]=4 3167 B14R1.26 N#CCCCCSc1cccc(c1)Br 62a_100000691529_100000211819 [1,1,0,0,0,0|2,0,0]=4 3168 B14R1.26 N#CCCCCSc1cccc(c1)Br 62a_100011219923_100000691529 [1,1,0,0,0,0|2,0,0]=4 3169 B14R1.26 N#CCCCCSc1cccc(c1)Cl 62a_100000699651_100000211819 [1,1,0,0,0,0|2,0,0]=4 3170 B14R1.26 N#CCCCCSc1cccc(c1)Cl 62a_100011219923_100000699651 [1,1,0,0,0,0|2,0,0]=4 3171 B14R1.26 N#CCCCCSc1cccc(c1)F 62a_100000685547_100000211819 [1,1,0,0,0,0|2,0,0]=4 3172 B14R1.26 N#CCCCCSc1cccc(c1)F 62a_100011219923_100000685547 [1,1,0,0,0,0|2,0,0]=4 3173 B14R1.26 N#CCCCCSc1cccc(c1)N 62a_100000210019_100000211819 [1,1,0,0,0,0|2,0,0]=4 3174 B14R1.26 N#CCCCCSc1cccc(c1)N 62a_100011219923_100000210019 [1,1,0,0,0,0|2,0,0]=4 3175 B14R1.26 N#CCCCCSc1cccc(c1)O 62a_100011219923_100000211634 [1,1,0,0,0,0|2,0,0]=4 3176 B14R1.26 N#CCCCCSc1cccc(c1)[S] 62a_100011219923_114929384022 [1,1,0,0,0,0|2,0,0]=4 3177 B14R1.26 N#CCCCCSc1cccc(c1)[S] 62a_114929384022_100000211819 [1,1,0,0,0,0|2,0,0]=4 3178 B14R1.26 N#CCCCNCc1cccc(c1)Br 2230a_100000174977_100000687738 [1,1,0,0,0,0|2,0,0]=4 3179 B14R1.26 N#CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000687738 [1,1,0,0,0,0|2,0,0]=4 3180 B14R1.26 N#CCCCNCc1cccc(c1)F 2230a_100000174948_100000687738 [1,1,0,0,0,0|2,0,0]=4 3181 B14R1.26 N#CCCCNCc1cccc(c1)I 2230a_100000106179_100000687738 [1,1,0,0,0,0|2,0,0]=4 3182 B14R1.26 N#CCCCNCc1cccc(c1)O 2230a_100000743036_100000687738 [1,1,0,0,0,0|2,0,0]=4 3183 B14R1.26 N#CCCCOCc1cccc(c1)Br 7a_100000687537_100000687738 [1,1,0,0,0,0|2,0,0]=4 3184 B14R1.26 N#CCCCOCc1cccc(c1)Cl 7a_100000241301_100000687738 [1,1,0,0,0,0|2,0,0]=4 3185 B14R1.26 N#CCCCOCc1cccc(c1)F 7a_100000210976_100000687738 [1,1,0,0,0,0|2,0,0]=4 3186 B14R1.26 N#CCCCOCc1cccc(c1)I 7a_100011215336_100000687738 [1,1,0,0,0,0|2,0,0]=4 3187 B14R1.26 N#CCCCSCc1cccc(c1)Br 62a_100000211773_100000687738 [1,1,0,0,0,0|2,0,0]=4 3188 B14R1.26 N#CCCCSCc1cccc(c1)Br 62a_100000687738_100000211773 [1,1,0,0,0,0|2,0,0]=4 3189 B14R1.26 N#CCCCSCc1cccc(c1)Cl 62a_100000187163_100000687738 [1,1,0,0,0,0|2,0,0]=4 3190 B14R1.26 N#CCCCSCc1cccc(c1)Cl 62a_100000687738_100000187163 [1,1,0,0,0,0|2,0,0]=4 3191 B14R1.26 N#CCCCSCc1cccc(c1)F 62a_100000230114_100000687738 [1,1,0,0,0,0|2,0,0]=4 3192 B14R1.26 N#CCCCSCc1cccc(c1)F 62a_100000687738_100000230114 [1,1,0,0,0,0|2,0,0]=4 3193 B14R1.26 N#CCCCSCc1cccc(c1)I 62a_100000687738_100011218688 [1,1,0,0,0,0|2,0,0]=4 3194 B14R1.26 N#CCCCSCc1cccc(c1)I 62a_100011218688_100000687738 [1,1,0,0,0,0|2,0,0]=4 3195 B14R1.26 N#CCCCSCc1cccc(c1)O 62a_100000687738_100011660834 [1,1,0,0,0,0|2,0,0]=4 3196 B14R1.26 N#CCCCSCc1cccc(c1)O 62a_100011660834_100000687738 [1,1,0,0,0,0|2,0,0]=4 3197 B14R1.26 N#CCCNCCc1cccc(c1)Br 2230a_100011207229_100011215226 [1,1,0,0,0,0|0,0,0]=2 3198 B14R1.26 N#CCCNCCc1cccc(c1)Cl 2230a_100000185263_100011215226 [1,1,0,0,0,0|0,0,0]=2 3199 B14R1.26 N#CCCNCCc1cccc(c1)F 2230a_100000205154_100011215226 [1,1,0,0,0,0|0,0,0]=2 3200 B14R1.26 N#CCCNCCc1cccc(c1)O 2230a_100000747277_100011215226 [1,1,0,0,0,0|0,0,0]=2 3201 B14R1.26 N#CCCNN=Cc1cccc(c1)Br 4a_100000229987_100000210085 [1,1,0,0,0,0|1,0,1]=4 3202 B14R1.26 N#CCCNN=Cc1cccc(c1)Cl 4a_100000229987_100000210801 [1,1,0,0,0,0|1,0,1]=4 3203 B14R1.26 N#CCCNN=Cc1cccc(c1)F 4a_100000229987_100000210812 [1,1,0,0,0,0|1,0,1]=4 3204 B14R1.26 N#CCCNN=Cc1cccc(c1)I 4a_100000229987_100000014684 [1,1,0,0,0,0|1,0,1]=4 3205 B14R1.26 N#CCCNN=Cc1cccc(c1)O 4a_100000229987_100000188321 [1,1,0,0,0,0|1,0,1]=4 3206 B14R1.26 N#CCCOCCc1cccc(c1)Br 7a_100011217444_100000184422 [1,1,0,0,0,0|1,0,0]=3 3207 B14R1.26 N#CCCOCCc1cccc(c1)Cl 7a_100000754733_100000184422 [1,1,0,0,0,0|1,0,0]=3 3208 B14R1.26 N#CCCOCCc1cccc(c1)F 7a_100000763591_100000184422 [1,1,0,0,0,0|1,0,0]=3 3209 B14R1.26 N#CCCOCCc1cccc(n1)Br 7a_100010221043_100000184422 [1,1,0,0,0,0|2,0,0]=4 3210 B14R1.26 N#CCCSCCc1cccc(c1)Br 62a_100011215226_100011740638 [1,1,0,0,0,0|1,0,0]=3 3211 B14R1.26 N#CCCSCCc1cccc(c1)Br 62a_100011740638_100011215226 [1,1,0,0,0,0|1,0,0]=3 3212 B14R1.26 N#CCCSCCc1cccc(c1)Cl 62a_100011215226_100011713710 [1,1,0,0,0,0|1,0,0]=3 3213 B14R1.26 N#CCCSCCc1cccc(c1)Cl 62a_100011713710_100011215226 [1,1,0,0,0,0|1,0,0]=3 3214 B14R1.26 N#CCCSCCc1cccc(c1)F 62a_100011215226_100011217235 [1,1,0,0,0,0|1,0,0]=3 3215 B14R1.26 N#CCCSCCc1cccc(c1)F 62a_100011217235_100011215226 [1,1,0,0,0,0|1,0,0]=3 3216 B14R1.26 N#CCNCCCc1cccc(c1)Br 2230a_100000753791_100011215382 [1,1,0,0,0,0|2,0,0]=4 3217 B14R1.26 N#CCNCCCc1cccc(c1)Cl 2230a_100000704586_100011215382 [1,1,0,0,0,0|2,0,0]=4 3218 B14R1.26 N#CCNCCCc1cccc(c1)F 2230a_100000754185_100011215382 [1,1,0,0,0,0|2,0,0]=4 3219 B14R1.26 N#CCOCCCc1cccc(c1)Br 7a_100011709248_100011215382 [1,1,0,0,0,0|2,0,0]=4 3220 B14R1.26 N#CCOCCCc1cccc(c1)Cl 7a_100011709246_100011215382 [1,1,0,0,0,0|2,0,0]=4 3221 B14R1.26 N#CCOCCCc1cccc(c1)N 7a_200000698965_100011215382 [1,1,0,0,0,0|2,0,0]=4 3222 B14R1.26 N#CCSCCCc1cccc(c1)Br 62a_100011215382_100011713683 [1,1,0,0,0,0|2,0,0]=4 3223 B14R1.26 N#CCSCCCc1cccc(c1)Br 62a_100011713683_100011215382 [1,1,0,0,0,0|2,0,0]=4 3224 B14R1.26 N#CCSCCCc1cccc(c1)F 62a_100011215382_200000698031 [1,1,0,0,0,0|2,0,0]=4 3225 B14R1.26 N#CCSCCCc1cccc(c1)F 62a_200000698031_100011215382 [1,1,0,0,0,0|2,0,0]=4 3226 B14R1.26 N#CSCSCCc1cccc(c1)Br 62a_100000211825_100011740638 [1,1,0,0,0,0|2,0,0]=4 3227 B14R1.26 N#CSCSCCc1cccc(c1)Br 62a_100011740638_100000211825 [1,1,0,0,0,0|2,0,0]=4 3228 B14R1.26 N#CSCSCCc1cccc(c1)Cl 62a_100000211825_100011713710 [1,1,0,0,0,0|2,0,0]=4 3229 B14R1.26 N#CSCSCCc1cccc(c1)Cl 62a_100011713710_100000211825 [1,1,0,0,0,0|2,0,0]=4 3230 B14R1.26 N#CSCSCCc1cccc(c1)F 62a_100000211825_100011217235 [1,1,0,0,0,0|2,0,0]=4 3231 B14R1.26 N#CSCSCCc1cccc(c1)F 62a_100011217235_100000211825 [1,1,0,0,0,0|2,0,0]=4 3232 B14R1.26 OCCCNCCc1cccc(c1)Br 2230a_100011207229_100000230001 [1,1,0,0,0,0|1,0,1]=4 3233 B14R1.26 OCCCNCCc1cccc(c1)Br 34a_100011207229_100000230001 [1,1,0,0,0,0|1,0,1]=4 3234 B14R1.26 OCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000230001 [1,1,0,0,0,0|1,0,1]=4 3235 B14R1.26 OCCCNCCc1cccc(c1)Cl 34a_100000185263_100000230001 [1,1,0,0,0,0|1,0,1]=4 3236 B14R1.26 OCCCNCCc1cccc(c1)F 2230a_100000205154_100000230001 [1,1,0,0,0,0|1,0,1]=4 3237 B14R1.26 OCCCNCCc1cccc(c1)F 34a_100000205154_100000230001 [1,1,0,0,0,0|1,0,1]=4 3238 B14R1.26 OCCCNCCc1cccc(c1)O 2230a_100000747277_100000230001 [1,1,0,0,0,0|1,0,1]=4 3239 B14R1.26 OCCCNCCc1cccc(c1)O 34a_100000747277_100000230001 [1,1,0,0,0,0|1,0,1]=4 3240 B14R1.26 Oc1cccc(c1)CCNCCCF 2230a_100000747277_100011934791 [1,1,0,0,0,0|1,0,1]=4 3241 B14R1.26 Oc1cccc(c1)CCNCCCF 34a_100000747277_100011934791 [1,1,0,0,0,0|1,0,1]=4 3242 B14R1.38 C#CCCNCC(C)c1ccccc1 2230a_100000701038_100000688953 [1,1,0,0,0,0|1,0,0]=3 3243 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000701038_100000688953 [1,1,0,0,0,0|1,0,0]=3 3244 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000755551_100000756946 [1,1,0,0,0,0|1,0,0]=3 3245 B14R1.38 C#CCCNCC(O)c1ccccc1 2230a_100000210709_100000688953 [1,1,0,0,0,0|1,0,0]=3 3246 B14R1.38 C#CCCNCC(O)c1ccccc1 34a_100000755551_100000185958 [1,1,0,0,0,0|1,0,0]=3 3247 B14R1.38 C#CCCNCC(O)c1ccccn1 2230a_100000691469_100000688953 [1,1,0,0,0,0|2,0,0]=4 3248 B14R1.38 C#CCCNCC(O)c1cccnc1 2230a_100020605170_100000688953 [1,1,0,0,0,0|2,0,0]=4 3249 B14R1.38 C#CCCNC[C@@H](O)c1ccccc1 34a_100000755551_100011933945 [1,1,0,0,0,0|1,0,0]=3 3250 B14R1.38 C#CCCOCC(C)c1ccccc1 34a_100011215166_100000688953 [1,1,0,0,0,0|2,0,0]=4 3251 B14R1.38 C#CCCOCC(C)c1ccccc1 34a_100011215631_100000756946 [1,1,0,0,0,0|2,0,0]=4 3252 B14R1.38 C#CCCOCC(C)c1ccccc1 7a_100011215166_100000688953 [1,1,0,0,0,0|2,0,0]=4 3253 B14R1.38 C#CCCOCC(O)c1ccccc1 34a_100011215631_100000185958 [1,1,0,0,0,0|2,0,0]=4 3254 B14R1.38 C#CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000688953 [1,1,0,0,0,0|2,0,0]=4 3255 B14R1.38 C#CCCOC[C@@H](O)c1ccccc1 34a_100011215631_100011933945 [1,1,0,0,0,0|2,0,0]=4 3256 B14R1.38 C#CCCSCC(C)c1ccccc1 62a_100000688953_100000756946 [1,1,0,0,0,0|2,0,0]=4 3257 B14R1.38 C#CCCSCC(C)c1ccccc1 62a_100000756946_100000688953 [1,1,0,0,0,0|2,0,0]=4 3258 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000185958_100000688953 [1,1,0,0,0,0|2,0,0]=4 3259 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000688953_100000185958 [1,1,0,0,0,0|2,0,0]=4 3260 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100000688953_100011933945 [1,1,0,0,0,0|2,0,0]=4 3261 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000688953 [1,1,0,0,0,0|2,0,0]=4 3262 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100000701038_100000754431 [1,1,0,0,0,0|1,0,1]=4 3263 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100015191253_100000756946 [1,1,0,0,0,0|1,0,1]=4 3264 B14R1.38 C=CCCNCC(C)c1ccccc1 270004a_100015191253_100000212034 [1,1,0,0,0,0|1,0,1]=4 3265 B14R1.38 C=CCCNCC(C)c1ccccc1 34a_100000701038_100000754431 [1,1,0,0,0,0|1,0,1]=4 3266 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100000210709_100000754431 [1,1,0,0,0,0|1,0,1]=4 3267 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100015191253_100000185958 [1,1,0,0,0,0|1,0,1]=4 3268 B14R1.38 C=CCCNC[C@@H](O)c1ccccc1 2230a_100015191253_100011933945 [1,1,0,0,0,0|1,0,1]=4 3269 B14R1.38 CC#CCNCC(C)c1ccccc1 2230a_100000685387_100000756946 [1,1,0,0,0,0|1,0,1]=4 3270 B14R1.38 CC#CCNCC(C)c1ccccc1 2230a_100000701038_100000748600 [1,1,0,0,0,0|1,0,1]=4 3271 B14R1.38 CC#CCNCC(C)c1ccccc1 34a_100000685387_100000756946 [1,1,0,0,0,0|1,0,1]=4 3272 B14R1.38 CC#CCNCC(C)c1ccccc1 34a_100000701038_100000748600 [1,1,0,0,0,0|1,0,1]=4 3273 B14R1.38 CC#CCNCC(O)c1ccccc1 2230a_100000210709_100000748600 [1,1,0,0,0,0|1,0,1]=4 3274 B14R1.38 CC#CCNCC(O)c1ccccc1 2230a_100000685387_100000185958 [1,1,0,0,0,0|1,0,1]=4 3275 B14R1.38 CC#CCNCC(O)c1ccccc1 34a_100000685387_100000185958 [1,1,0,0,0,0|1,0,1]=4 3276 B14R1.38 CC#CCNC[C@@H](O)c1ccccc1 2230a_100000685387_100011933945 [1,1,0,0,0,0|1,0,1]=4 3277 B14R1.38 CC#CCNC[C@@H](O)c1ccccc1 34a_100000685387_100011933945 [1,1,0,0,0,0|1,0,1]=4 3278 B14R1.38 CC(=NNCCC#N)c1ccccc1 4a_100000229987_100000185851 [1,1,0,0,0,0|1,0,1]=4 3279 B14R1.38 CC(CNCCC#N)c1ccccc1 2230a_100000701038_100011215226 [1,1,0,0,0,0|0,0,0]=2 3280 B14R1.38 CC(CNCCC#N)c1ccccc1 270004a_100000720768_100000212034 [1,1,0,0,0,0|0,0,0]=2 3281 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100000701038_100011934791 [1,1,0,0,0,0|1,0,1]=4 3282 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100015189416_100000756946 [1,1,0,0,0,0|1,0,1]=4 3283 B14R1.38 CC(CNCCCF)c1ccccc1 270004a_100015189416_100000212034 [1,1,0,0,0,0|1,0,1]=4 3284 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100000701038_100011934791 [1,1,0,0,0,0|1,0,1]=4 3285 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100015189416_100000756946 [1,1,0,0,0,0|1,0,1]=4 3286 B14R1.38 CC(CNCCCO)c1ccccc1 2230a_100000701038_100000230001 [1,1,0,0,0,0|1,0,1]=4 3287 B14R1.38 CC(CNCCCO)c1ccccc1 270004a_100000182051_100000212034 [1,1,0,0,0,0|1,0,1]=4 3288 B14R1.38 CC(CNCCCO)c1ccccc1 34a_100000701038_100000230001 [1,1,0,0,0,0|1,0,1]=4 3289 B14R1.38 CC(COCCC#N)c1ccccc1 7a_100011215166_100000184422 [1,1,0,0,0,0|1,0,0]=3 3290 B14R1.38 CC(CSCCC#N)c1ccccc1 62a_100000756946_100011215226 [1,1,0,0,0,0|1,0,0]=3 3291 B14R1.38 CC(CSCCC#N)c1ccccc1 62a_100011215226_100000756946 [1,1,0,0,0,0|1,0,0]=3 3292 B14R1.38 CC(CSCSC#N)c1ccccc1 62a_100000211825_100000756946 [1,1,0,0,0,0|2,0,0]=4 3293 B14R1.38 CC(CSCSC#N)c1ccccc1 62a_100000756946_100000211825 [1,1,0,0,0,0|2,0,0]=4 3294 B14R1.38 CC(SCCCC#N)c1ccccc1 62a_100000230085_100000687738 [1,1,0,0,0,0|2,0,0]=4 3295 B14R1.38 CC(SCCCC#N)c1ccccc1 62a_100000687738_100000230085 [1,1,0,0,0,0|2,0,0]=4 3296 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000102301_100000756946 [1,1,0,0,0,0|1,0,1]=4 3297 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000701038_100000210211 [1,1,0,0,0,0|1,0,1]=4 3298 B14R1.38 CCCCNCC(C)c1ccccc1 270004a_100000102301_100000212034 [1,1,0,0,0,0|1,0,1]=4 3299 B14R1.38 CCCCNCC(C)c1ccccc1 34a_100000701038_100000210210 [1,1,0,0,0,0|1,0,1]=4 3300 B14R1.38 CCCCNCC(C)c1ccccc1 7a_106832991798_100000756946 [1,1,0,0,0,0|1,0,1]=4 3301 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000102301_100000185958 [1,1,0,0,0,0|1,0,1]=4 3302 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000210709_100000210211 [1,1,0,0,0,0|1,0,1]=4 3303 B14R1.38 CCCCNCC(O)c1ccccc1 7a_106832991798_100000185958 [1,1,0,0,0,0|1,0,1]=4 3304 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 2230a_100000102301_100011933945 [1,1,0,0,0,0|1,0,1]=4 3305 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 7a_106832991798_100011933945 [1,1,0,0,0,0|1,0,1]=4 3306 B14R1.38 CN(CCCCC#N)c1ccccc1 2230a_100000210012_100000211819 [1,1,0,0,0,0|2,0,0]=4 3307 B14R1.38 CN(CCCCC#N)c1ccccc1 269982a_100000210012_100011219923 [1,1,0,0,0,0|2,0,0]=4 3308 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000209980_100000756946 [1,1,0,0,0,0|2,0,0]=4 3309 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000701038_100011201679 [1,1,0,0,0,0|2,0,0]=4 3310 B14R1.38 COCCNCC(C)c1ccccc1 270004a_100000209980_100000212034 [1,1,0,0,0,0|2,0,0]=4 3311 B14R1.38 COCCNCC(C)c1ccccc1 34a_100000701038_100011201679 [1,1,0,0,0,0|2,0,0]=4 3312 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000209980_100000185958 [1,1,0,0,0,0|2,0,0]=4 3313 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000210709_100011201679 [1,1,0,0,0,0|2,0,0]=4 3314 B14R1.38 COCCNC[C@@H](O)c1ccccc1 2230a_100000209980_100011933945 [1,1,0,0,0,0|2,0,0]=4 3315 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100000701038_100000751147 [1,1,0,0,0,0|2,0,0]=4 3316 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100020590264_100000756946 [1,1,0,0,0,0|2,0,0]=4 3317 B14R1.38 CSCCNCC(C)c1ccccc1 270004a_100020590264_100000212034 [1,1,0,0,0,0|2,0,0]=4 3318 B14R1.38 CSCCNCC(C)c1ccccc1 34a_100000701038_100000212216 [1,1,0,0,0,0|2,0,0]=4 3319 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100000210709_100000751147 [1,1,0,0,0,0|2,0,0]=4 3320 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100020590264_100000185958 [1,1,0,0,0,0|2,0,0]=4 3321 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 2230a_100020590264_100011933945 [1,1,0,0,0,0|2,0,0]=4 3322 B14R1.38 C[C@@H](NCCCC#N)c1ccccc1 2230a_100000751104_100000687738 [1,1,0,0,0,0|2,0,0]=4 3323 B14R1.38 C[C@@H](OCCCC#N)c1ccccc1 7a_100000761318_100000687738 [1,1,0,0,0,0|2,0,0]=4 3324 B14R1.38 N#CCCCCC(=O)c1ccccc1 1458a_100000185807_100000211819 [1,1,0,0,0,0|1,0,1]=4 3325 B14R1.38 N#CCCNCC(O)c1ccccc1 2230a_100000210709_100011215226 [1,1,0,0,0,0|0,0,0]=2 3326 B14R1.38 N#CCCNCC(O)c1ccccn1 2230a_100000691469_100011215226 [1,1,0,0,0,0|1,0,0]=3 3327 B14R1.38 N#CCCNCC(O)c1cccnc1 2230a_100020605170_100011215226 [1,1,0,0,0,0|1,0,0]=3 3328 B14R1.38 N#CCCNNC(=O)c1ccccc1 22a_100000229987_100000185807 [1,1,0,0,0,0|1,0,1]=4 3329 B14R1.38 N#CCCSCC(=O)c1ccccc1 62a_100000211460_100011215226 [1,1,0,0,0,0|1,0,1]=4 3330 B14R1.38 N#CCCSCC(=O)c1ccccc1 62a_100011215226_100000211460 [1,1,0,0,0,0|1,0,1]=4 3331 B14R1.38 N#CCCSCC(O)c1ccccc1 62a_100000185958_100011215226 [1,1,0,0,0,0|1,0,0]=3 3332 B14R1.38 N#CCCSCC(O)c1ccccc1 62a_100011215226_100000185958 [1,1,0,0,0,0|1,0,0]=3 3333 B14R1.38 N#CCCSCS(=O)c1ccccc1 62a_100011215226_100000031784 [1,1,0,0,0,0|2,0,0]=4 3334 B14R1.38 N#CCCSC[C@@H](O)c1ccccc1 62a_100011215226_100011933945 [1,1,0,0,0,0|1,0,0]=3 3335 B14R1.38 N#CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215226 [1,1,0,0,0,0|1,0,0]=3 3336 B14R1.38 N#CCNCCC(O)c1ccccc1 2230a_100000763605_100011215382 [1,1,0,0,0,0|2,0,0]=4 3337 B14R1.38 N#CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100011215382 [1,1,0,0,0,0|2,0,0]=4 3338 B14R1.38 N#CCSCC[C@@H](O)c1ccccc1 62a_100011215382_100000729684 [1,1,0,0,0,0|2,0,0]=4 3339 B14R1.38 N#CSCSCC(O)c1ccccc1 62a_100000185958_100000211825 [1,1,0,0,0,0|2,0,0]=4 3340 B14R1.38 N#CSCSCC(O)c1ccccc1 62a_100000211825_100000185958 [1,1,0,0,0,0|2,0,0]=4 3341 B14R1.38 N#CSCSC[C@@H](O)c1ccccc1 62a_100000211825_100011933945 [1,1,0,0,0,0|2,0,0]=4 3342 B14R1.38 N#CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211825 [1,1,0,0,0,0|2,0,0]=4 3343 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100000210709_100011934791 [1,1,0,0,0,0|1,0,1]=4 3344 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100015189416_100000185958 [1,1,0,0,0,0|1,0,1]=4 3345 B14R1.38 OC(CNCCCF)c1ccccc1 34a_100015189416_100000185958 [1,1,0,0,0,0|1,0,1]=4 3346 B14R1.38 OCCCNCC(O)c1ccccc1 2230a_100000210709_100000230001 [1,1,0,0,0,0|1,0,1]=4 3347 B14R1.38 O[C@H](CNCCCF)c1ccccc1 2230a_100015189416_100011933945 [1,1,0,0,0,0|1,0,1]=4 3348 B14R1.38 O[C@H](CNCCCF)c1ccccc1 34a_100015189416_100011933945 [1,1,0,0,0,0|1,0,1]=4 3349 B14R1.123 C#CCCCCCNc1ccccc1 34a_100000106764_100012094781 [1,1,0,0,0,0|2,0,0]=4 3350 B14R1.123 C#CCCCCCOc1ccccc1 34a_100000210340_100012094781 [1,1,0,0,0,0|2,0,0]=4 3351 B14R1.123 C#CCCCCCOc1ccccc1 7a_100000210340_100012094781 [1,1,0,0,0,0|2,0,0]=4 3352 B14R1.123 C#CCCCCCSc1ccccc1 62a_100000719477_100012094781 [1,1,0,0,0,0|2,0,0]=4 3353 B14R1.123 C#CCCCCCSc1ccccc1 62a_100012094781_100000041952 [1,1,0,0,0,0|2,0,0]=4 3354 B14R1.123 C#CCCCCNCc1ccccc1 207a_100000706060_100015611070 [1,1,0,0,0,0|2,0,0]=4 3355 B14R1.123 C#CCCCCNCc1ccccc1 2230a_100000706060_100015291786 [1,1,0,0,0,0|2,0,0]=4 3356 B14R1.123 C#CCCCCNCc1ccccc1 2230a_100015324214_100010269958 [1,1,0,0,0,0|2,0,0]=4 3357 B14R1.123 C#CCCCCNCc1ccccc1 34a_100000706060_100015291786 [1,1,0,0,0,0|2,0,0]=4 3358 B14R1.123 C#CCCCCNCc1ccccc1 34a_100015324214_100010269958 [1,1,0,0,0,0|2,0,0]=4 3359 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000210790_100010269958 [1,1,0,0,0,0|2,0,0]=4 3360 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000766709_100015291786 [1,1,0,0,0,0|2,0,0]=4 3361 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000210790_100010269958 [1,1,0,0,0,0|2,0,0]=4 3362 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000766709_100000211182 [1,1,0,0,0,0|2,0,0]=4 3363 B14R1.123 C#CCCCCSCc1ccccc1 62a_100000211182_100010269958 [1,1,0,0,0,0|2,0,0]=4 3364 B14R1.123 C#CCCCCSCc1ccccc1 62a_100010269958_100015291786 [1,1,0,0,0,0|2,0,0]=4 3365 B14R1.123 C#CCCCNCCc1ccccc1 2230a_100000106460_100000731252 [1,1,0,0,0,0|1,0,0]=3 3366 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000106460_100000695029 [1,1,0,0,0,0|1,0,0]=3 3367 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000718082_100000765856 [1,1,0,0,0,0|1,0,0]=3 3368 B14R1.123 C#CCCCNCCc1cccnc1 2230a_100000736294_100000731252 [1,1,0,0,0,0|2,0,0]=4 3369 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000210268_100000695029 [1,1,0,0,0,0|2,0,0]=4 3370 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000215630_100000765856 [1,1,0,0,0,0|2,0,0]=4 3371 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000210268_100011215417 [1,1,0,0,0,0|2,0,0]=4 3372 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000215630_100000765856 [1,1,0,0,0,0|2,0,0]=4 3373 B14R1.123 C#CCCCSCCc1ccccc1 62a_100000765856_100011215417 [1,1,0,0,0,0|2,0,0]=4 3374 B14R1.123 C#CCCCSCCc1ccccc1 62a_100011215417_100011218657 [1,1,0,0,0,0|2,0,0]=4 3375 B14R1.123 C#CCCNC/C=C/c1ccccc1 2230a_100020603302_100000688953 [1,1,0,0,0,0|1,0,1]=4 3376 B14R1.123 C#CCCNC/C=C/c1ccccc1 34a_100000755551_100016265936 [1,1,0,0,0,0|1,0,1]=4 3377 B14R1.123 C#CCCNC/C=C/c1ccccc1 34a_100020603302_100000688953 [1,1,0,0,0,0|1,0,1]=4 3378 B14R1.123 C#CCCNCC#Cc1ccccc1 34a_100000735379_100000688953 [1,1,0,0,0,0|1,0,1]=4 3379 B14R1.123 C#CCCNCC#Cc1ccccc1 34a_100000755551_100011352542 [1,1,0,0,0,0|1,0,1]=4 3380 B14R1.123 C#CCCNCCCc1ccccc1 2230a_100000211184_100000688953 [1,1,0,0,0,0|1,0,0]=3 3381 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000211184_100000688953 [1,1,0,0,0,0|1,0,0]=3 3382 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000755551_100000211621 [1,1,0,0,0,0|1,0,0]=3 3383 B14R1.123 C#CCCNCCCc1cccnc1 2230a_100011532358_100000688953 [1,1,0,0,0,0|2,0,0]=4 3384 B14R1.123 C#CCCNCCCc1cccnc1 34a_100011532358_100000688953 [1,1,0,0,0,0|2,0,0]=4 3385 B14R1.123 C#CCCNCCCc1ccncc1 2230a_100011275580_100000688953 [1,1,0,0,0,0|2,0,0]=4 3386 B14R1.123 C#CCCNCCOc1ccccc1 2230a_100000174943_100000688953 [1,1,0,0,0,0|1,0,0]=3 3387 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000174943_100000688953 [1,1,0,0,0,0|1,0,0]=3 3388 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000755551_100000184471 [1,1,0,0,0,0|1,0,0]=3 3389 B14R1.123 C#CCCNCCOc1ccccn1 2230a_106741647558_100000688953 [1,1,0,0,0,0|2,0,0]=4 3390 B14R1.123 C#CCCNCCOc1cccnc1 2230a_100000754688_100000688953 [1,1,0,0,0,0|2,0,0]=4 3391 B14R1.123 C#CCCNCCSc1ccccc1 2230a_100000189519_100000688953 [1,1,0,0,0,0|1,0,0]=3 3392 B14R1.123 C#CCCNCCSc1ccccc1 34a_100000755551_100000246102 [1,1,0,0,0,0|1,0,0]=3 3393 B14R1.123 C#CCCNCOCc1ccccc1 34a_100000755551_100000763385 [1,1,0,0,0,0|1,0,0]=3 3394 B14R1.123 C#CCCNCSCc1ccccc1 34a_100000755551_200011217039 [1,1,0,0,0,0|1,0,0]=3 3395 B14R1.123 C#CCCOCCCc1ccccc1 34a_100000210828_100000688953 [1,1,0,0,0,0|2,0,0]=4 3396 B14R1.123 C#CCCOCCCc1ccccc1 34a_100011215631_100000211621 [1,1,0,0,0,0|2,0,0]=4 3397 B14R1.123 C#CCCOCCCc1ccccc1 7a_100000210828_100000688953 [1,1,0,0,0,0|2,0,0]=4 3398 B14R1.123 C#CCCOCCNc1ccccc1 34a_100000211345_100000688953 [1,1,0,0,0,0|2,0,0]=4 3399 B14R1.123 C#CCCOCCOc1ccccc1 34a_100000210260_100000688953 [1,1,0,0,0,0|2,0,0]=4 3400 B14R1.123 C#CCCOCCOc1ccccc1 34a_100011215631_100000184471 [1,1,0,0,0,0|2,0,0]=4 3401 B14R1.123 C#CCCOCCOc1ccccc1 7a_100000210260_100000688953 [1,1,0,0,0,0|2,0,0]=4 3402 B14R1.123 C#CCCOCCSc1ccccc1 34a_100011215631_100000246102 [1,1,0,0,0,0|2,0,0]=4 3403 B14R1.123 C#CCCOCCSc1ccccc1 7a_100000230494_100000688953 [1,1,0,0,0,0|2,0,0]=4 3404 B14R1.123 C#CCCOCOCc1ccccc1 34a_100011215631_100000763385 [1,1,0,0,0,0|2,0,0]=4 3405 B14R1.123 C#CCCOCSCc1ccccc1 34a_100011215631_200011217039 [1,1,0,0,0,0|2,0,0]=4 3406 B14R1.123 C#CCCSCCCc1ccccc1 62a_100000211621_100000688953 [1,1,0,0,0,0|2,0,0]=4 3407 B14R1.123 C#CCCSCCCc1ccccc1 62a_100000688953_100000211621 [1,1,0,0,0,0|2,0,0]=4 3408 B14R1.123 C#CCCSCCOc1ccccc1 62a_100000184471_100000688953 [1,1,0,0,0,0|2,0,0]=4 3409 B14R1.123 C#CCCSCCOc1ccccc1 62a_100000688953_100000184471 [1,1,0,0,0,0|2,0,0]=4 3410 B14R1.123 C#CCCSCCSc1ccccc1 62a_100000246102_100000688953 [1,1,0,0,0,0|2,0,0]=4 3411 B14R1.123 C#CCCSCCSc1ccccc1 62a_100000688953_100000246102 [1,1,0,0,0,0|2,0,0]=4 3412 B14R1.123 C#CCCSCOCc1ccccc1 62a_100000688953_100000763385 [1,1,0,0,0,0|2,0,0]=4 3413 B14R1.123 C#CCCSCOCc1ccccc1 62a_100000763385_100000688953 [1,1,0,0,0,0|2,0,0]=4 3414 B14R1.123 C#CCCSCSCc1ccccc1 62a_100000688953_200011217039 [1,1,0,0,0,0|2,0,0]=4 3415 B14R1.123 C#CCCSCSCc1ccccc1 62a_200011217039_100000688953 [1,1,0,0,0,0|2,0,0]=4 3416 B14R1.123 C#CCNCCCCc1ccccc1 2230a_100015280158_100000038162 [1,1,0,0,0,0|2,0,0]=4 3417 B14R1.123 C#CCNCCCCc1ccccc1 34a_100000212058_100000701786 [1,1,0,0,0,0|2,0,0]=4 3418 B14R1.123 C#CCNCCCCc1ccccc1 34a_100015280158_100000184674 [1,1,0,0,0,0|2,0,0]=4 3419 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000210247_100000701786 [1,1,0,0,0,0|2,0,0]=4 3420 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000703073_100000184674 [1,1,0,0,0,0|2,0,0]=4 3421 B14R1.123 C#CCOCCCCc1ccccc1 7a_100000703073_100000038162 [1,1,0,0,0,0|2,0,0]=4 3422 B14R1.123 C#CCSCCCCc1ccccc1 62a_100000038162_100000701786 [1,1,0,0,0,0|2,0,0]=4 3423 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000106460_100011713584 [1,1,0,0,0,0|1,0,1]=4 3424 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000700776_100000765856 [1,1,0,0,0,0|1,0,1]=4 3425 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000106460_100000757094 [1,1,0,0,0,0|1,0,1]=4 3426 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000700776_100000765856 [1,1,0,0,0,0|1,0,1]=4 3427 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100000211184_100000754431 [1,1,0,0,0,0|1,0,1]=4 3428 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100015191253_100000211621 [1,1,0,0,0,0|1,0,1]=4 3429 B14R1.123 C=CCCNCCCc1ccccc1 34a_100000211184_100000754431 [1,1,0,0,0,0|1,0,1]=4 3430 B14R1.123 C=CCCNCCOc1ccccc1 2230a_100000174943_100000754431 [1,1,0,0,0,0|1,0,1]=4 3431 B14R1.123 C=CCCNCCOc1ccccc1 2230a_100015191253_100000184471 [1,1,0,0,0,0|1,0,1]=4 3432 B14R1.123 C=CCCNCCOc1ccccc1 270004a_100015191253_100000758736 [1,1,0,0,0,0|1,0,1]=4 3433 B14R1.123 C=CCCNCCOc1ccccc1 34a_100000174943_100000754431 [1,1,0,0,0,0|1,0,1]=4 3434 B14R1.123 C=CCCNCCSc1ccccc1 2230a_100000189519_100000754431 [1,1,0,0,0,0|1,0,1]=4 3435 B14R1.123 C=CCCNCCSc1ccccc1 2230a_100015191253_100000246102 [1,1,0,0,0,0|1,0,1]=4 3436 B14R1.123 C=CCCNCOCc1ccccc1 2230a_100015191253_100000763385 [1,1,0,0,0,0|1,0,1]=4 3437 B14R1.123 C=CCCNCSCc1ccccc1 2230a_100015191253_200011217039 [1,1,0,0,0,0|1,0,1]=4 3438 B14R1.123 C=COCCNCCc1ccccc1 2230a_100000106460_100000039644 [1,1,0,0,0,0|1,0,1]=4 3439 B14R1.123 C=COCCNCCc1ccccc1 34a_100000106460_100000039644 [1,1,0,0,0,0|1,0,1]=4 3440 B14R1.123 CC#CCCOCCc1ccccc1 34a_100000750427_100000765856 [1,1,0,0,0,0|2,0,0]=4 3441 B14R1.123 CC#CCNCCCc1ccccc1 2230a_100000211184_100000748600 [1,1,0,0,0,0|1,0,1]=4 3442 B14R1.123 CC#CCNCCCc1ccccc1 2230a_100000685387_100000211621 [1,1,0,0,0,0|1,0,1]=4 3443 B14R1.123 CC#CCNCCCc1ccccc1 34a_100000211184_100000748600 [1,1,0,0,0,0|1,0,1]=4 3444 B14R1.123 CC#CCNCCCc1ccccc1 34a_100000685387_100000211621 [1,1,0,0,0,0|1,0,1]=4 3445 B14R1.123 CC#CCNCCOc1ccccc1 2230a_100000174943_100000748600 [1,1,0,0,0,0|1,0,1]=4 3446 B14R1.123 CC#CCNCCOc1ccccc1 2230a_100000685387_100000184471 [1,1,0,0,0,0|1,0,1]=4 3447 B14R1.123 CC#CCNCCOc1ccccc1 34a_100000174943_100000748600 [1,1,0,0,0,0|1,0,1]=4 3448 B14R1.123 CC#CCNCCOc1ccccc1 34a_100000685387_100000184471 [1,1,0,0,0,0|1,0,1]=4 3449 B14R1.123 CC#CCNCCSc1ccccc1 2230a_100000189519_100000748600 [1,1,0,0,0,0|1,0,1]=4 3450 B14R1.123 CC#CCNCCSc1ccccc1 2230a_100000685387_100000246102 [1,1,0,0,0,0|1,0,1]=4 3451 B14R1.123 CC#CCNCCSc1ccccc1 34a_100000685387_100000246102 [1,1,0,0,0,0|1,0,1]=4 3452 B14R1.123 CC#CCNCOCc1ccccc1 2230a_100000685387_100000763385 [1,1,0,0,0,0|1,0,1]=4 3453 B14R1.123 CC#CCNCOCc1ccccc1 34a_100000685387_100000763385 [1,1,0,0,0,0|1,0,1]=4 3454 B14R1.123 CC#CCNCSCc1ccccc1 2230a_100000685387_200011217039 [1,1,0,0,0,0|1,0,1]=4 3455 B14R1.123 CC#CCNCSCc1ccccc1 34a_100000685387_200011217039 [1,1,0,0,0,0|1,0,1]=4 3456 B14R1.123 CCC#CCNCCc1ccccc1 2230a_100000106460_100009813939 [1,1,0,0,0,0|1,0,1]=4 3457 B14R1.123 CCC#CCNCCc1ccccc1 34a_100000106460_100009813939 [1,1,0,0,0,0|1,0,1]=4 3458 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000106460_100000210326 [1,1,0,0,0,0|1,0,1]=4 3459 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000209983_100000765856 [1,1,0,0,0,0|1,0,1]=4 3460 B14R1.123 CCCCCNCCc1ccccc1 34a_100000106460_100000718602 [1,1,0,0,0,0|1,0,1]=4 3461 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000102301_100000211621 [1,1,0,0,0,0|1,0,1]=4 3462 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000211184_100000210211 [1,1,0,0,0,0|1,0,1]=4 3463 B14R1.123 CCCCNCCCc1ccccc1 34a_100000211184_100000210210 [1,1,0,0,0,0|1,0,1]=4 3464 B14R1.123 CCCCNCCCc1ccccc1 7a_106832991798_100000211621 [1,1,0,0,0,0|1,0,1]=4 3465 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000102301_100000184471 [1,1,0,0,0,0|1,0,1]=4 3466 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000174943_100000210211 [1,1,0,0,0,0|1,0,1]=4 3467 B14R1.123 CCCCNCCOc1ccccc1 270004a_100000102301_100000758736 [1,1,0,0,0,0|1,0,1]=4 3468 B14R1.123 CCCCNCCOc1ccccc1 34a_100000174943_100000210210 [1,1,0,0,0,0|1,0,1]=4 3469 B14R1.123 CCCCNCCOc1ccccc1 7a_106832991798_100000184471 [1,1,0,0,0,0|1,0,1]=4 3470 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000102301_100000246102 [1,1,0,0,0,0|1,0,1]=4 3471 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000189519_100000210211 [1,1,0,0,0,0|1,0,1]=4 3472 B14R1.123 CCCCNCCSc1ccccc1 7a_106832991798_100000246102 [1,1,0,0,0,0|1,0,1]=4 3473 B14R1.123 CCCCNCOCc1ccccc1 2230a_100000102301_100000763385 [1,1,0,0,0,0|1,0,1]=4 3474 B14R1.123 CCCCNCSCc1ccccc1 2230a_100000102301_200011217039 [1,1,0,0,0,0|1,0,1]=4 3475 B14R1.123 CCOCCNCCc1ccccc1 2230a_100000106460_100011215890 [1,1,0,0,0,0|1,0,1]=4 3476 B14R1.123 CCOCCNCCc1ccccc1 2230a_102516460346_100000765856 [1,1,0,0,0,0|1,0,1]=4 3477 B14R1.123 CCOCCNCCc1ccccc1 34a_100000106460_100000210147 [1,1,0,0,0,0|1,0,1]=4 3478 B14R1.123 CCOCCNCCc1ccccc1 34a_102516460346_100000765856 [1,1,0,0,0,0|1,0,1]=4 3479 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106460_100000757381 [1,1,0,0,0,0|1,0,1]=4 3480 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106463_100000765856 [1,1,0,0,0,0|1,0,1]=4 3481 B14R1.123 CCSCCNCCc1ccccc1 34a_100000106460_100000757381 [1,1,0,0,0,0|1,0,1]=4 3482 B14R1.123 COCCCNCCc1ccccc1 2230a_100000106460_100000740836 [1,1,0,0,0,0|1,0,1]=4 3483 B14R1.123 COCCCNCCc1ccccc1 34a_100000106460_100000740836 [1,1,0,0,0,0|1,0,1]=4 3484 B14R1.123 COCCCNCCc1ccccc1 34a_100150723488_100000765856 [1,1,0,0,0,0|1,0,1]=4 3485 B14R1.123 COCCNCCCc1ccccc1 2230a_100000209980_100000211621 [1,1,0,0,0,0|2,0,0]=4 3486 B14R1.123 COCCNCCCc1ccccc1 2230a_100000211184_100011201679 [1,1,0,0,0,0|2,0,0]=4 3487 B14R1.123 COCCNCCCc1ccccc1 34a_100000211184_100011201679 [1,1,0,0,0,0|2,0,0]=4 3488 B14R1.123 COCCNCCOc1ccccc1 2230a_100000174943_100011201679 [1,1,0,0,0,0|2,0,0]=4 3489 B14R1.123 COCCNCCOc1ccccc1 2230a_100000209980_100000184471 [1,1,0,0,0,0|2,0,0]=4 3490 B14R1.123 COCCNCCOc1ccccc1 270004a_100000209980_100000758736 [1,1,0,0,0,0|2,0,0]=4 3491 B14R1.123 COCCNCCOc1ccccc1 34a_100000174943_100011201679 [1,1,0,0,0,0|2,0,0]=4 3492 B14R1.123 COCCNCCSc1ccccc1 2230a_100000189519_100011201679 [1,1,0,0,0,0|2,0,0]=4 3493 B14R1.123 COCCNCCSc1ccccc1 2230a_100000209980_100000246102 [1,1,0,0,0,0|2,0,0]=4 3494 B14R1.123 COCCNCOCc1ccccc1 2230a_100000209980_100000763385 [1,1,0,0,0,0|2,0,0]=4 3495 B14R1.123 COCCNCSCc1ccccc1 2230a_100000209980_200011217039 [1,1,0,0,0,0|2,0,0]=4 3496 B14R1.123 CSCCCNCCc1ccccc1 2230a_100000749238_100000765856 [1,1,0,0,0,0|1,0,1]=4 3497 B14R1.123 CSCCNCCCc1ccccc1 2230a_100000211184_100000751147 [1,1,0,0,0,0|2,0,0]=4 3498 B14R1.123 CSCCNCCCc1ccccc1 2230a_100020590264_100000211621 [1,1,0,0,0,0|2,0,0]=4 3499 B14R1.123 CSCCNCCCc1ccccc1 34a_100000211184_100000212216 [1,1,0,0,0,0|2,0,0]=4 3500 B14R1.123 CSCCNCCOc1ccccc1 2230a_100000174943_100000751147 [1,1,0,0,0,0|2,0,0]=4 3501 B14R1.123 CSCCNCCOc1ccccc1 2230a_100020590264_100000184471 [1,1,0,0,0,0|2,0,0]=4 3502 B14R1.123 CSCCNCCOc1ccccc1 270004a_100020590264_100000758736 [1,1,0,0,0,0|2,0,0]=4 3503 B14R1.123 CSCCNCCOc1ccccc1 34a_100000174943_100000212216 [1,1,0,0,0,0|2,0,0]=4 3504 B14R1.123 CSCCNCCSc1ccccc1 2230a_100000189519_100000751147 [1,1,0,0,0,0|2,0,0]=4 3505 B14R1.123 CSCCNCCSc1ccccc1 2230a_100020590264_100000246102 [1,1,0,0,0,0|2,0,0]=4 3506 B14R1.123 CSCCNCOCc1ccccc1 2230a_100020590264_100000763385 [1,1,0,0,0,0|2,0,0]=4 3507 B14R1.123 CSCCNCSCc1ccccc1 2230a_100020590264_200011217039 [1,1,0,0,0,0|2,0,0]=4 3508 B14R1.123 FCCCCNCCc1ccccc1 2230a_100000106460_100000729493 [1,1,0,0,0,0|1,0,1]=4 3509 B14R1.123 FCCCCNCCc1ccccc1 34a_100000106460_100000729493 [1,1,0,0,0,0|1,0,1]=4 3510 B14R1.123 FCCCNCCCc1ccccc1 2230a_100000211184_100011934791 [1,1,0,0,0,0|1,0,1]=4 3511 B14R1.123 FCCCNCCCc1ccccc1 2230a_100015189416_100000211621 [1,1,0,0,0,0|1,0,1]=4 3512 B14R1.123 FCCCNCCCc1ccccc1 34a_100000211184_100011934791 [1,1,0,0,0,0|1,0,1]=4 3513 B14R1.123 FCCCNCCCc1ccccc1 34a_100015189416_100000211621 [1,1,0,0,0,0|1,0,1]=4 3514 B14R1.123 FCCCNCCOc1ccccc1 2230a_100000174943_100011934791 [1,1,0,0,0,0|1,0,1]=4 3515 B14R1.123 FCCCNCCOc1ccccc1 2230a_100015189416_100000184471 [1,1,0,0,0,0|1,0,1]=4 3516 B14R1.123 FCCCNCCOc1ccccc1 270004a_100015189416_100000758736 [1,1,0,0,0,0|1,0,1]=4 3517 B14R1.123 FCCCNCCOc1ccccc1 34a_100000174943_100011934791 [1,1,0,0,0,0|1,0,1]=4 3518 B14R1.123 FCCCNCCOc1ccccc1 34a_100015189416_100000184471 [1,1,0,0,0,0|1,0,1]=4 3519 B14R1.123 FCCCNCCSc1ccccc1 2230a_100000189519_100011934791 [1,1,0,0,0,0|1,0,1]=4 3520 B14R1.123 FCCCNCCSc1ccccc1 2230a_100015189416_100000246102 [1,1,0,0,0,0|1,0,1]=4 3521 B14R1.123 FCCCNCCSc1ccccc1 34a_100015189416_100000246102 [1,1,0,0,0,0|1,0,1]=4 3522 B14R1.123 FCCCNCOCc1ccccc1 2230a_100015189416_100000763385 [1,1,0,0,0,0|1,0,1]=4 3523 B14R1.123 FCCCNCOCc1ccccc1 34a_100015189416_100000763385 [1,1,0,0,0,0|1,0,1]=4 3524 B14R1.123 FCCCNCSCc1ccccc1 2230a_100015189416_200011217039 [1,1,0,0,0,0|1,0,1]=4 3525 B14R1.123 FCCCNCSCc1ccccc1 34a_100015189416_200011217039 [1,1,0,0,0,0|1,0,1]=4 3526 B14R1.123 N#CCCCCCOc1ccccc1 7a_100000210340_100009813376 [1,1,0,0,0,0|1,0,0]=3 3527 B14R1.123 N#CCCCCCOc1cccnc1 7a_100000210849_100009813376 [1,1,0,0,0,0|2,0,0]=4 3528 B14R1.123 N#CCCCCCSc1ccccc1 62a_100000719477_100009813376 [1,1,0,0,0,0|1,0,0]=3 3529 B14R1.123 N#CCCCCCSc1ccccc1 62a_100009813376_100000041952 [1,1,0,0,0,0|1,0,0]=3 3530 B14R1.123 N#CCCCCCSc1ccccn1 62a_100009813376_100011216584 [1,1,0,0,0,0|2,0,0]=4 3531 B14R1.123 N#CCCCCCSc1ccccn1 62a_100011216584_100009813376 [1,1,0,0,0,0|2,0,0]=4 3532 B14R1.123 N#CCCCCCSc1cccnc1 62a_100000210063_100009813376 [1,1,0,0,0,0|2,0,0]=4 3533 B14R1.123 N#CCCCCCSc1cccnc1 62a_100009813376_100000210063 [1,1,0,0,0,0|2,0,0]=4 3534 B14R1.123 N#CCCCCCSc1ccncc1 62a_100000728582_100009813376 [1,1,0,0,0,0|2,0,0]=4 3535 B14R1.123 N#CCCCCCSc1ccncc1 62a_100009813376_100000728582 [1,1,0,0,0,0|2,0,0]=4 3536 B14R1.123 N#CCCCCNCc1ccccc1 2230a_100015324214_100000211819 [1,1,0,0,0,0|1,0,0]=3 3537 B14R1.123 N#CCCCCNCc1ccccc1 270004a_100000751965_100015611070 [1,1,0,0,0,0|1,0,0]=3 3538 B14R1.123 N#CCCCCNCc1ccccn1 270004a_100000751965_100000209966 [1,1,0,0,0,0|2,0,0]=4 3539 B14R1.123 N#CCCCCNCc1cccnc1 270004a_100000751965_100000209961 [1,1,0,0,0,0|2,0,0]=4 3540 B14R1.123 N#CCCCCOCc1ccccc1 7a_100000210790_100000211819 [1,1,0,0,0,0|1,0,0]=3 3541 B14R1.123 N#CCCCCSCc1ccccc1 62a_100000211182_100000211819 [1,1,0,0,0,0|1,0,0]=3 3542 B14R1.123 N#CCCCCSCc1ccccc1 62a_100011219923_100015291786 [1,1,0,0,0,0|1,0,0]=3 3543 B14R1.123 N#CCCCCSCc1ccccn1 62a_100000721315_100000211819 [1,1,0,0,0,0|2,0,0]=4 3544 B14R1.123 N#CCCCCSCc1ccccn1 62a_100011219923_100000721315 [1,1,0,0,0,0|2,0,0]=4 3545 B14R1.123 N#CCCCCSCc1cccnc1 62a_100000741622_100000211819 [1,1,0,0,0,0|2,0,0]=4 3546 B14R1.123 N#CCCCCSCc1cccnc1 62a_100011219923_100000741622 [1,1,0,0,0,0|2,0,0]=4 3547 B14R1.123 N#CCCCCSCc1ccncc1 62a_100011219923_100015193705 [1,1,0,0,0,0|2,0,0]=4 3548 B14R1.123 N#CCCCCSCc1ccncc1 62a_100015193705_100000211819 [1,1,0,0,0,0|2,0,0]=4 3549 B14R1.123 N#CCCCNCCc1ccccc1 2230a_100000106460_100000687738 [1,1,0,0,0,0|0,0,0]=2 3550 B14R1.123 N#CCCCNCCc1cccnc1 2230a_100000736294_100000687738 [1,1,0,0,0,0|1,0,0]=3 3551 B14R1.123 N#CCCCOCCc1ccccc1 7a_100000210268_100000687738 [1,1,0,0,0,0|1,0,0]=3 3552 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000687738_100011218657 [1,1,0,0,0,0|1,0,0]=3 3553 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000765856_100000687738 [1,1,0,0,0,0|1,0,0]=3 3554 B14R1.123 N#CCCCSCCc1ccccn1 62a_100000687738_100015183660 [1,1,0,0,0,0|2,0,0]=4 3555 B14R1.123 N#CCCCSCCc1ccccn1 62a_100015183660_100000687738 [1,1,0,0,0,0|2,0,0]=4 3556 B14R1.123 N#CCCCSCCc1cccnc1 62a_100000687738_200011713674 [1,1,0,0,0,0|2,0,0]=4 3557 B14R1.123 N#CCCCSCCc1cccnc1 62a_200011713674_100000687738 [1,1,0,0,0,0|2,0,0]=4 3558 B14R1.123 N#CCCCSCCc1ccncc1 62a_100000687738_100000723409 [1,1,0,0,0,0|2,0,0]=4 3559 B14R1.123 N#CCCCSCCc1ccncc1 62a_100000723409_100000687738 [1,1,0,0,0,0|2,0,0]=4 3560 B14R1.123 N#CCCCSCSc1ccccc1 62a_100000687738_100011218342 [1,1,0,0,0,0|2,0,0]=4 3561 B14R1.123 N#CCCCSCSc1ccccc1 62a_100011218342_100000687738 [1,1,0,0,0,0|2,0,0]=4 3562 B14R1.123 N#CCCNC/C=C/c1ccccc1 2230a_100020603302_100011215226 [1,1,0,0,0,0|0,0,1]=3 3563 B14R1.123 N#CCCNCC=Cc1ccccc1 270004a_100000720768_100000210105 [1,1,0,0,0,0|0,0,1]=3 3564 B14R1.123 N#CCCNCCCc1ccccc1 2230a_100000211184_100011215226 [1,1,0,0,0,0|0,0,0]=2 3565 B14R1.123 N#CCCNCCCc1cccnc1 2230a_100011532358_100011215226 [1,1,0,0,0,0|1,0,0]=3 3566 B14R1.123 N#CCCNCCCc1ccncc1 2230a_100011275580_100011215226 [1,1,0,0,0,0|1,0,0]=3 3567 B14R1.123 N#CCCNCCOc1ccccc1 2230a_100000174943_100011215226 [1,1,0,0,0,0|0,0,0]=2 3568 B14R1.123 N#CCCNCCOc1ccccc1 270004a_100000720768_100000758736 [1,1,0,0,0,0|0,0,0]=2 3569 B14R1.123 N#CCCNCCOc1ccccn1 2230a_106741647558_100011215226 [1,1,0,0,0,0|1,0,0]=3 3570 B14R1.123 N#CCCNCCOc1cccnc1 2230a_100000754688_100011215226 [1,1,0,0,0,0|1,0,0]=3 3571 B14R1.123 N#CCCNCCSc1ccccc1 2230a_100000189519_100011215226 [1,1,0,0,0,0|0,0,0]=2 3572 B14R1.123 N#CCCNN=CCc1ccccc1 4a_100000229987_100000209964 [1,1,0,0,0,0|0,0,1]=3 3573 B14R1.123 N#CCCOCC#Cc1ccccc1 7a_100011217464_100000184422 [1,1,0,0,0,0|1,0,1]=4 3574 B14R1.123 N#CCCOCCCc1ccccc1 7a_100000210828_100000184422 [1,1,0,0,0,0|1,0,0]=3 3575 B14R1.123 N#CCCOCCOc1ccccc1 7a_100000210260_100000184422 [1,1,0,0,0,0|1,0,0]=3 3576 B14R1.123 N#CCCOCCSc1ccccc1 7a_100000230494_100000184422 [1,1,0,0,0,0|1,0,0]=3 3577 B14R1.123 N#CCCOCCSc1ccccn1 7a_100000156319_100000184422 [1,1,0,0,0,0|2,0,0]=4 3578 B14R1.123 N#CCCSC/C=C/c1ccccc1 62a_100011215226_100016265936 [1,1,0,0,0,0|1,0,1]=4 3579 B14R1.123 N#CCCSC/C=C/c1ccccc1 62a_100016265936_100011215226 [1,1,0,0,0,0|1,0,1]=4 3580 B14R1.123 N#CCCSCC#Cc1ccccc1 62a_100011215226_100011352542 [1,1,0,0,0,0|1,0,1]=4 3581 B14R1.123 N#CCCSCCCc1ccccc1 62a_100000211621_100011215226 [1,1,0,0,0,0|1,0,0]=3 3582 B14R1.123 N#CCCSCCCc1ccccc1 62a_100011215226_100000211621 [1,1,0,0,0,0|1,0,0]=3 3583 B14R1.123 N#CCCSCCOc1ccccc1 62a_100000184471_100011215226 [1,1,0,0,0,0|1,0,0]=3 3584 B14R1.123 N#CCCSCCOc1ccccc1 62a_100011215226_100000184471 [1,1,0,0,0,0|1,0,0]=3 3585 B14R1.123 N#CCCSCCSc1ccccc1 62a_100000246102_100011215226 [1,1,0,0,0,0|1,0,0]=3 3586 B14R1.123 N#CCCSCCSc1ccccc1 62a_100011215226_100000246102 [1,1,0,0,0,0|1,0,0]=3 3587 B14R1.123 N#CCCSCOCc1ccccc1 62a_100000763385_100011215226 [1,1,0,0,0,0|1,0,0]=3 3588 B14R1.123 N#CCCSCOCc1ccccc1 62a_100011215226_100000763385 [1,1,0,0,0,0|1,0,0]=3 3589 B14R1.123 N#CCCSCSCc1ccccc1 62a_100011215226_200011217039 [1,1,0,0,0,0|1,0,0]=3 3590 B14R1.123 N#CCCSCSCc1ccccc1 62a_200011217039_100011215226 [1,1,0,0,0,0|1,0,0]=3 3591 B14R1.123 N#CCNCCCCc1ccccc1 2230a_100015280158_100011215382 [1,1,0,0,0,0|1,0,0]=3 3592 B14R1.123 N#CCNCCCOc1ccccc1 2230a_100000216521_100011215382 [1,1,0,0,0,0|2,0,0]=4 3593 B14R1.123 N#CCNCCCSc1ccccc1 2230a_100000184639_100011215382 [1,1,0,0,0,0|2,0,0]=4 3594 B14R1.123 N#CCNCCOCc1ccccc1 2230a_100000753106_100011215382 [1,1,0,0,0,0|2,0,0]=4 3595 B14R1.123 N#CCNCCSCc1ccccc1 2230a_100000189534_100011215382 [1,1,0,0,0,0|2,0,0]=4 3596 B14R1.123 N#CCNCCSCc1ccccc1 7a_100000189534_100011215382 [1,1,0,0,0,0|2,0,0]=4 3597 B14R1.123 N#CCOCCCCc1ccccc1 7a_100000703073_100011215382 [1,1,0,0,0,0|1,0,0]=3 3598 B14R1.123 N#CCOCCCCc1cccnc1 7a_100012039607_100011215382 [1,1,0,0,0,0|2,0,0]=4 3599 B14R1.123 N#CCOCCCOc1ccccc1 7a_100011215863_100011215382 [1,1,0,0,0,0|2,0,0]=4 3600 B14R1.123 N#CCOCCNCc1ccccc1 2230a_100015324214_200000047693 [1,1,0,0,0,0|2,0,0]=4 3601 B14R1.123 N#CCOCCOCc1ccccc1 7a_100000210790_200000047693 [1,1,0,0,0,0|2,0,0]=4 3602 B14R1.123 N#CCOCCOCc1ccccc1 7a_100000759325_100011215382 [1,1,0,0,0,0|2,0,0]=4 3603 B14R1.123 N#CCOCCSCc1ccccc1 62a_100000211182_200000047693 [1,1,0,0,0,0|2,0,0]=4 3604 B14R1.123 N#CCOCCSCc1ccccc1 62a_200000047693_100015291786 [1,1,0,0,0,0|2,0,0]=4 3605 B14R1.123 N#CCOCCSCc1ccccc1 7a_100011205989_100011215382 [1,1,0,0,0,0|2,0,0]=4 3606 B14R1.123 N#CCSCCCCc1ccccc1 62a_100000701786_100011215382 [1,1,0,0,0,0|1,0,0]=3 3607 B14R1.123 N#CCSCCCCc1ccccc1 62a_100011215382_100000701786 [1,1,0,0,0,0|1,0,0]=3 3608 B14R1.123 N#CCSCCCCc1ccncc1 62a_100011215382_100020630000 [1,1,0,0,0,0|2,0,0]=4 3609 B14R1.123 N#CCSCCCCc1ccncc1 62a_100020630000_100011215382 [1,1,0,0,0,0|2,0,0]=4 3610 B14R1.123 N#CCSCCCOc1ccccc1 62a_100000199009_100011215382 [1,1,0,0,0,0|2,0,0]=4 3611 B14R1.123 N#CCSCCCOc1ccccc1 62a_100011215382_100000199009 [1,1,0,0,0,0|2,0,0]=4 3612 B14R1.123 N#CCSCCCSc1ccccc1 62a_100011215382_200011203293 [1,1,0,0,0,0|2,0,0]=4 3613 B14R1.123 N#CCSCCCSc1ccccc1 62a_200011203293_100011215382 [1,1,0,0,0,0|2,0,0]=4 3614 B14R1.123 N#CCSCCOCc1ccccc1 62a_100000234347_100011215382 [1,1,0,0,0,0|2,0,0]=4 3615 B14R1.123 N#CCSCCOCc1ccccc1 62a_100011215382_100000234347 [1,1,0,0,0,0|2,0,0]=4 3616 B14R1.123 N#CCSCCSCc1ccccc1 62a_100011215382_200011297719 [1,1,0,0,0,0|2,0,0]=4 3617 B14R1.123 N#CCSCCSCc1ccccc1 62a_200011297719_100011215382 [1,1,0,0,0,0|2,0,0]=4 3618 B14R1.123 N#CSCCSCCc1ccccc1 62a_100000034367_100011218657 [1,1,0,0,0,0|1,0,0]=3 3619 B14R1.123 N#CSCCSCCc1ccccc1 62a_100000765856_100000034367 [1,1,0,0,0,0|1,0,0]=3 3620 B14R1.123 N#CSCCSCCc1ccccn1 62a_100000034367_100015183660 [1,1,0,0,0,0|2,0,0]=4 3621 B14R1.123 N#CSCCSCCc1ccccn1 62a_100015183660_100000034367 [1,1,0,0,0,0|2,0,0]=4 3622 B14R1.123 N#CSCCSCCc1cccnc1 62a_100000034367_200011713674 [1,1,0,0,0,0|2,0,0]=4 3623 B14R1.123 N#CSCCSCCc1cccnc1 62a_200011713674_100000034367 [1,1,0,0,0,0|2,0,0]=4 3624 B14R1.123 N#CSCCSCCc1ccncc1 62a_100000034367_100000723409 [1,1,0,0,0,0|2,0,0]=4 3625 B14R1.123 N#CSCCSCCc1ccncc1 62a_100000723409_100000034367 [1,1,0,0,0,0|2,0,0]=4 3626 B14R1.123 N#CSCCSCSc1ccccc1 62a_100000034367_100011218342 [1,1,0,0,0,0|2,0,0]=4 3627 B14R1.123 N#CSCCSCSc1ccccc1 62a_100011218342_100000034367 [1,1,0,0,0,0|2,0,0]=4 3628 B14R1.123 N#CSCSCCCc1ccccc1 62a_100000211621_100000211825 [1,1,0,0,0,0|2,0,0]=4 3629 B14R1.123 N#CSCSCCCc1ccccc1 62a_100000211825_100000211621 [1,1,0,0,0,0|2,0,0]=4 3630 B14R1.123 N#CSCSCCOc1ccccc1 62a_100000184471_100000211825 [1,1,0,0,0,0|2,0,0]=4 3631 B14R1.123 N#CSCSCCOc1ccccc1 62a_100000211825_100000184471 [1,1,0,0,0,0|2,0,0]=4 3632 B14R1.123 N#CSCSCCSc1ccccc1 62a_100000211825_100000246102 [1,1,0,0,0,0|2,0,0]=4 3633 B14R1.123 N#CSCSCCSc1ccccc1 62a_100000246102_100000211825 [1,1,0,0,0,0|2,0,0]=4 3634 B14R1.123 N#CSCSCOCc1ccccc1 62a_100000211825_100000763385 [1,1,0,0,0,0|2,0,0]=4 3635 B14R1.123 N#CSCSCOCc1ccccc1 62a_100000763385_100000211825 [1,1,0,0,0,0|2,0,0]=4 3636 B14R1.123 N#CSCSCSCc1ccccc1 62a_100000211825_200011217039 [1,1,0,0,0,0|2,0,0]=4 3637 B14R1.123 N#CSCSCSCc1ccccc1 62a_200011217039_100000211825 [1,1,0,0,0,0|2,0,0]=4 3638 B14R1.123 O=CCCCNCCc1ccccc1 2230a_100000106460_200011292268 [1,1,0,0,0,0|1,0,1]=4 3639 B14R1.123 OCC#CCNCCc1ccccc1 2230a_100000106460_200000047223 [1,1,0,0,0,0|1,0,1]=4 3640 B14R1.123 OCC#CCNCCc1ccccc1 34a_100000106460_200000047223 [1,1,0,0,0,0|1,0,1]=4 3641 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000106460_100000210776 [1,1,0,0,0,0|1,0,1]=4 3642 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000750430_100000765856 [1,1,0,0,0,0|1,0,1]=4 3643 B14R1.123 OCCCCNCCc1ccccc1 34a_100000106460_100011216708 [1,1,0,0,0,0|1,0,1]=4 3644 B14R1.123 OCCCCNCCc1ccccc1 34a_100000750430_100000765856 [1,1,0,0,0,0|1,0,1]=4 3645 B14R1.123 OCCCNCCCc1ccccc1 2230a_100000211184_100000230001 [1,1,0,0,0,0|1,0,1]=4 3646 B14R1.123 OCCCNCCCc1ccccc1 34a_100000211184_100000230001 [1,1,0,0,0,0|1,0,1]=4 3647 B14R1.123 OCCCNCCOc1ccccc1 2230a_100000174943_100000230001 [1,1,0,0,0,0|1,0,1]=4 3648 B14R1.123 OCCCNCCOc1ccccc1 270004a_100000182051_100000758736 [1,1,0,0,0,0|1,0,1]=4 3649 B14R1.123 OCCCNCCOc1ccccc1 34a_100000174943_100000230001 [1,1,0,0,0,0|1,0,1]=4 3650 B14R1.123 OCCCNCCSc1ccccc1 2230a_100000189519_100000230001 [1,1,0,0,0,0|1,0,1]=4 3651 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000185753_100000753159 [1,1,0,0,0,0|2,0,0]=4 3652 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000692101_100000765856 [1,1,0,0,0,0|2,0,0]=4 3653 B14R1.156 C#CCCN(C)CCc1ccccc1 2230a_100000207497_100000688953 [1,1,0,0,0,0|1,0,0]=3 3654 B14R1.156 C#CCCN(C)CCc1ccccc1 269982a_100000207497_100000730999 [1,1,0,0,0,0|1,0,0]=3 3655 B14R1.156 C#CCCN(C)CCc1ccccn1 2230a_100000737206_100000688953 [1,1,0,0,0,0|2,0,0]=4 3656 B14R1.156 C#CCCN(C)CCc1ccccn1 269982a_100000737206_100000730999 [1,1,0,0,0,0|2,0,0]=4 3657 B14R1.156 C#CCCN(C)CCc1cccnc1 2230a_100000763209_100000688953 [1,1,0,0,0,0|2,0,0]=4 3658 B14R1.156 C#CCCN(C)CCc1cccnc1 269982a_100000763209_100000730999 [1,1,0,0,0,0|2,0,0]=4 3659 B14R1.156 C#CCCN(C)CCc1ccncc1 2230a_100000742850_100000688953 [1,1,0,0,0,0|2,0,0]=4 3660 B14R1.156 C#CCCN(C)CCc1ccncc1 269982a_100000742850_100000730999 [1,1,0,0,0,0|2,0,0]=4 3661 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100000207497_100000754431 [1,1,0,0,0,0|1,0,1]=4 3662 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100020639649_100000765856 [1,1,0,0,0,0|1,0,1]=4 3663 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100000207497_100000754431 [1,1,0,0,0,0|1,0,1]=4 3664 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100020639649_100000765856 [1,1,0,0,0,0|1,0,1]=4 3665 B14R1.156 CC#CCN(C)CCc1ccccc1 2230a_100000207497_100000748600 [1,1,0,0,0,0|1,0,1]=4 3666 B14R1.156 CC(CCc1ccccc1)NCC#N 2230a_100000210798_100011215382 [1,1,0,0,0,0|2,0,0]=4 3667 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207497_100000210211 [1,1,0,0,0,0|1,0,1]=4 3668 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207549_100000765856 [1,1,0,0,0,0|1,0,1]=4 3669 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207497_100000210211 [1,1,0,0,0,0|1,0,1]=4 3670 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207549_100000765856 [1,1,0,0,0,0|1,0,1]=4 3671 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000184479_100000765856 [1,1,0,0,0,0|0,0,0]=2 3672 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000207497_100011215226 [1,1,0,0,0,0|0,0,0]=2 3673 B14R1.156 CN(CCC#N)CCc1ccccc1 269982a_100000207497_100011215226 [1,1,0,0,0,0|0,0,0]=2 3674 B14R1.156 CN(CCC#N)CCc1ccccn1 2230a_100000184479_100015183660 [1,1,0,0,0,0|1,0,0]=3 3675 B14R1.156 CN(CCC#N)CCc1ccccn1 2230a_100000737206_100011215226 [1,1,0,0,0,0|1,0,0]=3 3676 B14R1.156 CN(CCC#N)CCc1ccccn1 269982a_100000737206_100011215226 [1,1,0,0,0,0|1,0,0]=3 3677 B14R1.156 CN(CCC#N)CCc1cccnc1 2230a_100000184479_200011713674 [1,1,0,0,0,0|1,0,0]=3 3678 B14R1.156 CN(CCC#N)CCc1cccnc1 2230a_100000763209_100011215226 [1,1,0,0,0,0|1,0,0]=3 3679 B14R1.156 CN(CCC#N)CCc1cccnc1 269982a_100000763209_100011215226 [1,1,0,0,0,0|1,0,0]=3 3680 B14R1.156 CN(CCC#N)CCc1ccncc1 2230a_100000184479_100000723409 [1,1,0,0,0,0|1,0,0]=3 3681 B14R1.156 CN(CCC#N)CCc1ccncc1 2230a_100000742850_100011215226 [1,1,0,0,0,0|1,0,0]=3 3682 B14R1.156 CN(CCC#N)CCc1ccncc1 269982a_100000742850_100011215226 [1,1,0,0,0,0|1,0,0]=3 3683 B14R1.156 CN(CCC#N)CSc1ccccc1 2230a_100000184479_100011218342 [1,1,0,0,0,0|1,0,0]=3 3684 B14R1.156 CN(CCCF)CCc1ccccc1 2230a_100000207497_100011934791 [1,1,0,0,0,0|1,0,1]=4 3685 B14R1.156 CN(CCCF)CCc1ccccc1 269982a_100000207497_100011934791 [1,1,0,0,0,0|1,0,1]=4 3686 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000207497_100000230001 [1,1,0,0,0,0|1,0,1]=4 3687 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000213112_100000765856 [1,1,0,0,0,0|1,0,1]=4 3688 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000207497_100011215043 [1,1,0,0,0,0|1,0,1]=4 3689 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000213112_100000765856 [1,1,0,0,0,0|1,0,1]=4 3690 B14R1.156 CN(CCc1ccccc1)CSC#N 269982a_100000207497_100000211825 [1,1,0,0,0,0|1,0,0]=3 3691 B14R1.156 CN(CCc1ccccn1)CSC#N 269982a_100000737206_100000211825 [1,1,0,0,0,0|2,0,0]=4 3692 B14R1.156 CN(CCc1cccnc1)CSC#N 269982a_100000763209_100000211825 [1,1,0,0,0,0|2,0,0]=4 3693 B14R1.156 CN(CCc1ccncc1)CSC#N 269982a_100000742850_100000211825 [1,1,0,0,0,0|2,0,0]=4 3694 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000200122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3695 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000207497_100011201679 [1,1,0,0,0,0|2,0,0]=4 3696 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000743101_100000765856 [1,1,0,0,0,0|2,0,0]=4 3697 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000200122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3698 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000207497_100000233755 [1,1,0,0,0,0|2,0,0]=4 3699 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000743101_100000765856 [1,1,0,0,0,0|2,0,0]=4 3700 B14R1.156 COCCN(C)CCc1ccccc1 34a_100000200122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3701 B14R1.156 COCCN([13CH3])CCc1ccccc1 2230a_100000200122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3702 B14R1.156 COCCN([13CH3])CCc1ccccc1 269982a_100000200122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3703 B14R1.156 COCCN([13CH3])CCc1ccccc1 34a_100000200122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3704 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000207497_100000751147 [1,1,0,0,0,0|2,0,0]=4 3705 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000686725_100000765856 [1,1,0,0,0,0|2,0,0]=4 3706 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000207497_100000212216 [1,1,0,0,0,0|2,0,0]=4 3707 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000686725_100000765856 [1,1,0,0,0,0|2,0,0]=4 3708 B14R1.156 C[C@@H](CCc1ccccc1)OCC#N 7a_100009815974_100011215382 [1,1,0,0,0,0|2,0,0]=4 3709 B14R1.156 N#CCCC(=O)CCc1ccccc1 1458a_100000185753_100011215226 [1,1,0,0,0,0|1,0,0]=3 3710 B14R1.156 N#CCCC(=O)CCc1ccccc1 1458a_100011934036_100000765856 [1,1,0,0,0,0|1,0,0]=3 3711 B14R1.156 N#CCCC(=O)CCc1ccccn1 1458a_100011934036_100015183660 [1,1,0,0,0,0|2,0,0]=4 3712 B14R1.156 N#CCCC(=O)CCc1ccccn1 1458a_100015195070_100011215226 [1,1,0,0,0,0|2,0,0]=4 3713 B14R1.156 N#CCCC(=O)CCc1cccnc1 1458a_100000198484_100011215226 [1,1,0,0,0,0|2,0,0]=4 3714 B14R1.156 N#CCCC(=O)CCc1cccnc1 1458a_100011934036_200011713674 [1,1,0,0,0,0|2,0,0]=4 3715 B14R1.156 N#CCCC(=O)CCc1ccncc1 1458a_100011225043_100011215226 [1,1,0,0,0,0|2,0,0]=4 3716 B14R1.156 N#CCCC(=O)CCc1ccncc1 1458a_100011934036_100000723409 [1,1,0,0,0,0|2,0,0]=4 3717 B14R1.156 N#CCCC(=O)COc1ccccc1 1458a_100000186222_100011215226 [1,1,0,0,0,0|2,0,0]=4 3718 B14R1.156 N#CCCC(=O)CSc1ccccc1 1458a_100000211596_100011215226 [1,1,0,0,0,0|2,0,0]=4 3719 B14R1.156 N#CCCC(=O)NCc1ccccc1 11a_100015324214_100011934036 [1,1,0,0,0,0|2,0,0]=4 3720 B14R1.156 N#CCCC(=O)NCc1ccccc1 1626a_100015324214_100011934036 [1,1,0,0,0,0|2,0,0]=4 3721 B14R1.156 N#CCCC(=O)NCc1ccccc1 240690a_100015324214_100011934036 [1,1,0,0,0,0|2,0,0]=4 3722 B14R1.156 N#CCCC(=O)NCc1ccccc1 527a_100015324214_100011934036 [1,1,0,0,0,0|2,0,0]=4 3723 B14R1.156 N#CCNC(=O)CCc1ccccc1 1626a_100000734998_100000185753 [1,1,0,0,0,0|2,0,0]=4 3724 B14R1.156 N#CCNC(=O)CCc1ccccc1 527a_100000734998_100000185753 [1,1,0,0,0,0|2,0,0]=4 3725 B14R1.422 C=C(C)CCNCCc1ccccc1 2230a_100000106460_100000730704 [1,1,0,0,0,0|1,0,1]=4 3726 B14R1.422 C=C(C)CCNCCc1ccccc1 34a_100000106460_100000730704 [1,1,0,0,0,0|1,0,1]=4 3727 B14R1.422 CC(C)CCNCCc1ccccc1 2230a_100000106460_100000210312 [1,1,0,0,0,0|1,0,1]=4 3728 B14R1.422 CC(C)CCNCCc1ccccc1 269862a_100000106460_100000185833 [1,1,0,0,0,0|1,0,1]=4 3729 B14R1.422 CC(C)CCNCCc1ccccc1 34a_100000106460_100000210312 [1,1,0,0,0,0|1,0,1]=4 3730 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_100000106460_100012276601 [1,1,0,0,0,0|1,0,1]=4 3731 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_200000755665_100000765856 [1,1,0,0,0,0|1,0,1]=4 3732 B14R1.422 CC(O)CCNCCc1ccccc1 34a_100000106460_100012276601 [1,1,0,0,0,0|1,0,1]=4 3733 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [1,1,0,0,0,0|0,0,2]=4 3734 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [1,1,0,0,0,0|0,0,2]=4 3735 B14R1.520 C#CCC(=O)NCCc1ccccc1 1626a_100000106460_100011220946 [1,1,0,0,0,0|1,0,1]=4 3736 B14R1.520 C#CCC(=O)NCCc1ccccc1 527a_100000106460_100011220946 [1,1,0,0,0,0|1,0,1]=4 3737 B14R1.520 C#CCC(C)OCCc1ccccc1 34a_100000685586_100000765856 [1,1,0,0,0,0|2,0,0]=4 3738 B14R1.520 C#CCC(C)OCCc1ccccc1 7a_100000685586_100000765856 [1,1,0,0,0,0|2,0,0]=4 3739 B14R1.520 CC(CC#N)NCCc1ccccc1 2230a_100000106460_100009813641 [1,1,0,0,0,0|0,0,0]=2 3740 B14R1.520 CC(CC#N)NCCc1cccnc1 2230a_100000736294_100009813641 [1,1,0,0,0,0|1,0,0]=3 3741 B14R1.520 CC(CC#N)OCCc1ccccc1 7a_100000210268_100009813641 [1,1,0,0,0,0|1,0,0]=3 3742 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100000765856_100009813641 [1,1,0,0,0,0|1,0,0]=3 3743 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100009813641_100011218657 [1,1,0,0,0,0|1,0,0]=3 3744 B14R1.520 CC(CC#N)SCCc1ccccn1 62a_100009813641_100015183660 [1,1,0,0,0,0|2,0,0]=4 3745 B14R1.520 CC(CC#N)SCCc1ccccn1 62a_100015183660_100009813641 [1,1,0,0,0,0|2,0,0]=4 3746 B14R1.520 CC(CC#N)SCCc1cccnc1 62a_100009813641_200011713674 [1,1,0,0,0,0|2,0,0]=4 3747 B14R1.520 CC(CC#N)SCCc1cccnc1 62a_200011713674_100009813641 [1,1,0,0,0,0|2,0,0]=4 3748 B14R1.520 CC(CC#N)SCCc1ccncc1 62a_100000723409_100009813641 [1,1,0,0,0,0|2,0,0]=4 3749 B14R1.520 CC(CC#N)SCCc1ccncc1 62a_100009813641_100000723409 [1,1,0,0,0,0|2,0,0]=4 3750 B14R1.520 CC(CC#N)SCSc1ccccc1 62a_100009813641_100011218342 [1,1,0,0,0,0|2,0,0]=4 3751 B14R1.520 CC(CC#N)SCSc1ccccc1 62a_100011218342_100009813641 [1,1,0,0,0,0|2,0,0]=4 3752 B14R1.520 CC(CCO)NCCc1ccccc1 2230a_100000106460_100009893172 [1,1,0,0,0,0|1,0,1]=4 3753 B14R1.520 CC(CCO)NCCc1ccccc1 34a_100000106460_100009893172 [1,1,0,0,0,0|1,0,1]=4 3754 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000106460_100000766640 [1,1,0,0,0,0|1,0,1]=4 3755 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000741246_100000765856 [1,1,0,0,0,0|1,0,1]=4 3756 B14R1.520 CCCC(C)NCCc1ccccc1 270004a_100000106460_100000211909 [1,1,0,0,0,0|1,0,1]=4 3757 B14R1.520 CCCC(C)NCCc1ccccc1 34a_100000106460_100000766640 [1,1,0,0,0,0|1,0,1]=4 3758 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000693637_100011215382 [1,1,0,0,0,0|2,0,0]=4 3759 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000748184_100000211621 [1,1,0,0,0,0|2,0,0]=4 3760 B14R1.520 CN(CC#N)CCCc1ccccc1 269982a_100000693637_100011214920 [1,1,0,0,0,0|2,0,0]=4 3761 B14R1.520 COCC(C)NCCc1ccccc1 2230a_100000106460_100000765312 [1,1,0,0,0,0|2,0,0]=4 3762 B14R1.520 COCC(C)NCCc1ccccc1 270004a_100000106460_100000749346 [1,1,0,0,0,0|2,0,0]=4 3763 B14R1.520 COCC(C)NCCc1ccccc1 34a_100000106460_100000765312 [1,1,0,0,0,0|2,0,0]=4 3764 B14R1.520 COC[C@@H](C)NCCc1ccccc1 2230a_100000764878_100000765856 [1,1,0,0,0,0|2,0,0]=4 3765 B14R1.520 CSCC(C)NCCc1ccccc1 270004a_100000106460_100011216314 [1,1,0,0,0,0|2,0,0]=4 3766 B14R1.520 C[C@@H](CC#N)NCCc1ccccc1 2230a_100016994482_100000765856 [1,1,0,0,0,0|0,0,0]=2 3767 B14R1.520 C[C@@H](CC#N)NCCc1ccccn1 2230a_100016994482_100015183660 [1,1,0,0,0,0|1,0,0]=3 3768 B14R1.520 C[C@@H](CC#N)NCCc1cccnc1 2230a_100016994482_200011713674 [1,1,0,0,0,0|1,0,0]=3 3769 B14R1.520 C[C@@H](CC#N)NCCc1ccncc1 2230a_100016994482_100000723409 [1,1,0,0,0,0|1,0,0]=3 3770 B14R1.520 C[C@@H](CC#N)NCSc1ccccc1 2230a_100016994482_100011218342 [1,1,0,0,0,0|1,0,0]=3 3771 B14R1.520 C[C@H](CCO)NCCc1ccccc1 2230a_100000706166_100000765856 [1,1,0,0,0,0|1,0,1]=4 3772 B14R1.520 C[C@H](CCO)NCCc1ccccc1 34a_100000706166_100000765856 [1,1,0,0,0,0|1,0,1]=4 3773 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100011207963_100011214920 [1,1,0,0,0,0|1,0,1]=4 3774 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100051588842_100000211621 [1,1,0,0,0,0|1,0,1]=4 3775 B14R1.520 N#CCC(=O)NCCc1ccccc1 1626a_100000106460_100051588842 [1,1,0,0,0,0|0,0,1]=3 3776 B14R1.520 N#CCC(=O)NCCc1ccccc1 240690a_100000106460_100051588842 [1,1,0,0,0,0|0,0,1]=3 3777 B14R1.520 N#CCC(=O)NCCc1ccccn1 1626a_100000211156_100051588842 [1,1,0,0,0,0|1,0,1]=4 3778 B14R1.520 N#CCC(=O)NCCc1ccccn1 240690a_100000211156_100051588842 [1,1,0,0,0,0|1,0,1]=4 3779 B14R1.520 N#CCC(=O)NCCc1cccnc1 1626a_100000736294_100051588842 [1,1,0,0,0,0|1,0,1]=4 3780 B14R1.520 N#CCC(=O)NCCc1cccnc1 240690a_100000736294_100051588842 [1,1,0,0,0,0|1,0,1]=4 3781 B14R1.520 N#CCC(=O)NCCc1ccncc1 1626a_100000742849_100051588842 [1,1,0,0,0,0|1,0,1]=4 3782 B14R1.520 N#CCC(=O)NCCc1ccncc1 240690a_100000742849_100051588842 [1,1,0,0,0,0|1,0,1]=4 3783 B14R1.520 N#CCC(=O)NNCc1ccccc1 22a_100000007032_100051588842 [1,1,0,0,0,0|1,0,1]=4 3784 B14R1.520 N#CC[C@H](O)CNCc1ccccc1 2230a_100015324214_100000001066 [1,1,0,0,0,0|2,0,0]=4 3785 B14R1.520 N#CC[C@H](O)COCc1ccccc1 7a_100000210790_100000001066 [1,1,0,0,0,0|2,0,0]=4 3786 B14R1.520 N#CC[C@H](O)CSCc1ccccc1 62a_100000001066_100015291786 [1,1,0,0,0,0|2,0,0]=4 3787 B14R1.520 N#CC[C@H](O)CSCc1ccccc1 62a_100000211182_100000001066 [1,1,0,0,0,0|2,0,0]=4 3788 B14R1.716 C=C(C#N)CNCCc1ccccc1 2230a_100000106460_100000694840 [1,1,0,0,0,0|0,0,1]=3 3789 B14R1.716 C=C(C#N)CNCCc1ccccc1 34a_100000106460_100000694840 [1,1,0,0,0,0|0,0,1]=3 3790 B14R1.716 C=C(C#N)CNCCc1cccnc1 2230a_100000736294_100000694840 [1,1,0,0,0,0|1,0,1]=4 3791 B14R1.716 C=C(C#N)COCCc1ccccc1 34a_100000210268_100000694840 [1,1,0,0,0,0|1,0,1]=4 3792 B14R1.716 C=C(C#N)CSCCc1ccccc1 62a_100000765856_100000694840 [1,1,0,0,0,0|1,0,1]=4 3793 B14R1.716 C=CC(O)CNCCc1ccccc1 2230a_100000106460_100000730141 [1,1,0,0,0,0|1,0,1]=4 3794 B14R1.716 C=CC(O)CNCCc1ccccc1 34a_100000106460_100000730141 [1,1,0,0,0,0|1,0,1]=4 3795 B14R1.716 CC(C#N)CNN=Cc1ccccc1 4a_100000045663_100015611070 [1,1,0,0,0,0|1,0,1]=4 3796 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000211184_100000184139 [1,1,0,0,0,0|2,0,0]=4 3797 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000737613_100000211621 [1,1,0,0,0,0|2,0,0]=4 3798 B14R1.716 CC(C#N)OCCCc1ccccc1 34a_100011218135_100000211621 [1,1,0,0,0,0|2,0,0]=4 3799 B14R1.716 CC(C#N)OCCCc1ccccc1 7a_100000210828_100000703298 [1,1,0,0,0,0|2,0,0]=4 3800 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000211621_100000703298 [1,1,0,0,0,0|2,0,0]=4 3801 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000703298_100000211621 [1,1,0,0,0,0|2,0,0]=4 3802 B14R1.716 CC(CO)CNCCc1ccccc1 34a_100000744482_100000765856 [1,1,0,0,0,0|1,0,1]=4 3803 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100000106460_100000748023 [1,1,0,0,0,0|1,0,1]=4 3804 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100020588543_100000765856 [1,1,0,0,0,0|1,0,1]=4 3805 B14R1.716 CCC(C)CNCCc1ccccc1 270004a_100000106460_100000243153 [1,1,0,0,0,0|1,0,1]=4 3806 B14R1.716 CCC(C)CNCCc1ccccc1 34a_100000106460_100000748023 [1,1,0,0,0,0|1,0,1]=4 3807 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100000106460_100011218378 [1,1,0,0,0,0|1,0,1]=4 3808 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100011218483_100000765856 [1,1,0,0,0,0|1,0,1]=4 3809 B14R1.716 CCC(O)CNCCc1ccccc1 34a_100000106460_100011218378 [1,1,0,0,0,0|1,0,1]=4 3810 B14R1.716 CC[C@H](C)CNCCc1ccccc1 2230a_100000106460_100009816398 [1,1,0,0,0,0|1,0,1]=4 3811 B14R1.716 CC[C@H](C)CNCCc1ccccc1 34a_100000106460_100009816398 [1,1,0,0,0,0|1,0,1]=4 3812 B14R1.716 CO[C@H](C)CNCCc1ccccc1 2230a_100020591295_100000765856 [1,1,0,0,0,0|2,0,0]=4 3813 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 2230a_100000106460_100000059175 [1,1,0,0,0,0|1,0,1]=4 3814 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 34a_100000106460_100000059175 [1,1,0,0,0,0|1,0,1]=4 3815 B14R1.716 N#CC(F)SCCCc1ccccc1 62a_100000211621_200000117898 [1,1,0,0,0,0|2,0,0]=4 3816 B14R1.716 N#CC(F)SCCCc1ccccc1 62a_200000117898_100000211621 [1,1,0,0,0,0|2,0,0]=4 3817 B14R1.716 OCC(O)CNCCc1ccccc1 2230a_100000106460_100011219619 [1,1,0,0,0,0|1,0,1]=4 3818 B14R1.716 OCC(O)CNCCc1ccccc1 34a_100000106460_100011219619 [1,1,0,0,0,0|1,0,1]=4 3819 B14R1.716 OC[C@@H](O)CNCCc1ccccc1 2230a_100020644852_100000765856 [1,1,0,0,0,0|1,0,1]=4 3820 B14R1.716 OC[C@H](F)CNCCc1ccccc1 34a_100015665980_100000765856 [1,1,0,0,0,0|1,0,1]=4 3821 B14R1.716 OC[C@H](O)CNCCc1ccccc1 2230a_100000106460_100009815848 [1,1,0,0,0,0|1,0,1]=4 3822 B14R1.716 OC[C@H](O)CNCCc1ccccc1 34a_100000106460_100009815848 [1,1,0,0,0,0|1,0,1]=4 3823 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 2230a_100000106460_100015614560 [1,1,0,0,0,0|1,0,1]=4 3824 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 34a_100000106460_100015614560 [1,1,0,0,0,0|1,0,1]=4 3825 B14R1.882 C#CCCNCCc1ccccc1Br 2230a_100000747383_100000688953 [1,1,0,0,0,0|1,0,0]=3 3826 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000747383_100000688953 [1,1,0,0,0,0|1,0,0]=3 3827 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000755551_100012161201 [1,1,0,0,0,0|1,0,0]=3 3828 B14R1.882 C#CCCNCCc1ccccc1C 2230a_100000685071_100000688953 [1,1,0,0,0,0|1,0,0]=3 3829 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000685071_100000688953 [1,1,0,0,0,0|1,0,0]=3 3830 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000755551_100011713688 [1,1,0,0,0,0|1,0,0]=3 3831 B14R1.882 C#CCCNCCc1ccccc1Cl 2230a_100011207228_100000688953 [1,1,0,0,0,0|1,0,0]=3 3832 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100000755551_100011713703 [1,1,0,0,0,0|1,0,0]=3 3833 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100011207228_100000688953 [1,1,0,0,0,0|1,0,0]=3 3834 B14R1.882 C#CCCNCCc1ccccc1F 2230a_100000185272_100000688953 [1,1,0,0,0,0|1,0,0]=3 3835 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000185272_100000688953 [1,1,0,0,0,0|1,0,0]=3 3836 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000755551_100000720011 [1,1,0,0,0,0|1,0,0]=3 3837 B14R1.882 C#CCCNCCc1ccccc1O 34a_100000755551_100000722297 [1,1,0,0,0,0|1,0,0]=3 3838 B14R1.882 C#CCCNCCc1ccccc1O 34a_100011207237_100000688953 [1,1,0,0,0,0|1,0,0]=3 3839 B14R1.882 C#CCCNCCn1ccccc1=O 2230a_100000687133_100000688953 [1,1,0,0,0,0|2,0,0]=4 3840 B14R1.882 C#CCCOCCc1ccccc1Br 34a_100000731337_100000688953 [1,1,0,0,0,0|2,0,0]=4 3841 B14R1.882 C#CCCOCCc1ccccc1Br 34a_100011215631_100012161201 [1,1,0,0,0,0|2,0,0]=4 3842 B14R1.882 C#CCCOCCc1ccccc1Br 7a_100000731337_100000688953 [1,1,0,0,0,0|2,0,0]=4 3843 B14R1.882 C#CCCOCCc1ccccc1C 34a_100011215631_100011713688 [1,1,0,0,0,0|2,0,0]=4 3844 B14R1.882 C#CCCOCCc1ccccc1C 34a_100011220023_100000688953 [1,1,0,0,0,0|2,0,0]=4 3845 B14R1.882 C#CCCOCCc1ccccc1C 7a_100011220023_100000688953 [1,1,0,0,0,0|2,0,0]=4 3846 B14R1.882 C#CCCOCCc1ccccc1Cl 34a_100011215284_100000688953 [1,1,0,0,0,0|2,0,0]=4 3847 B14R1.882 C#CCCOCCc1ccccc1Cl 34a_100011215631_100011713703 [1,1,0,0,0,0|2,0,0]=4 3848 B14R1.882 C#CCCOCCc1ccccc1Cl 7a_100011215284_100000688953 [1,1,0,0,0,0|2,0,0]=4 3849 B14R1.882 C#CCCOCCc1ccccc1F 34a_100000753711_100000688953 [1,1,0,0,0,0|2,0,0]=4 3850 B14R1.882 C#CCCOCCc1ccccc1F 34a_100011215631_100000720011 [1,1,0,0,0,0|2,0,0]=4 3851 B14R1.882 C#CCCOCCc1ccccc1F 7a_100000753711_100000688953 [1,1,0,0,0,0|2,0,0]=4 3852 B14R1.882 C#CCCOCCc1ccccc1I 34a_100010255290_100000688953 [1,1,0,0,0,0|2,0,0]=4 3853 B14R1.882 C#CCCOCCc1ccccc1I 7a_100010255290_100000688953 [1,1,0,0,0,0|2,0,0]=4 3854 B14R1.882 C#CCCOCCc1ccccc1N 34a_100011215289_100000688953 [1,1,0,0,0,0|2,0,0]=4 3855 B14R1.882 C#CCCOCCc1ccccc1O 34a_100011215631_100000722297 [1,1,0,0,0,0|2,0,0]=4 3856 B14R1.882 C#CCCSCCc1ccccc1Br 62a_100000688953_100012161201 [1,1,0,0,0,0|2,0,0]=4 3857 B14R1.882 C#CCCSCCc1ccccc1Br 62a_100012161201_100000688953 [1,1,0,0,0,0|2,0,0]=4 3858 B14R1.882 C#CCCSCCc1ccccc1C 62a_100000688953_100011713688 [1,1,0,0,0,0|2,0,0]=4 3859 B14R1.882 C#CCCSCCc1ccccc1C 62a_100011713688_100000688953 [1,1,0,0,0,0|2,0,0]=4 3860 B14R1.882 C#CCCSCCc1ccccc1Cl 62a_100000688953_100011713703 [1,1,0,0,0,0|2,0,0]=4 3861 B14R1.882 C#CCCSCCc1ccccc1Cl 62a_100011713703_100000688953 [1,1,0,0,0,0|2,0,0]=4 3862 B14R1.882 C#CCCSCCc1ccccc1F 62a_100000688953_100011713696 [1,1,0,0,0,0|2,0,0]=4 3863 B14R1.882 C#CCCSCCc1ccccc1F 62a_100011713696_100000688953 [1,1,0,0,0,0|2,0,0]=4 3864 B14R1.882 C#CCCSCCc1ccccc1O 62a_100000688953_100000722297 [1,1,0,0,0,0|2,0,0]=4 3865 B14R1.882 C#CCCSCCc1ccccc1O 62a_100000722297_100000688953 [1,1,0,0,0,0|2,0,0]=4 3866 B14R1.882 C=CCCNCCc1ccccc1Br 2230a_100000747383_100000754431 [1,1,0,0,0,0|1,0,1]=4 3867 B14R1.882 C=CCCNCCc1ccccc1Br 2230a_100015191253_100012161201 [1,1,0,0,0,0|1,0,1]=4 3868 B14R1.882 C=CCCNCCc1ccccc1Br 34a_100000747383_100000754431 [1,1,0,0,0,0|1,0,1]=4 3869 B14R1.882 C=CCCNCCc1ccccc1C 2230a_100000685071_100000754431 [1,1,0,0,0,0|1,0,1]=4 3870 B14R1.882 C=CCCNCCc1ccccc1C 2230a_100015191253_100011713688 [1,1,0,0,0,0|1,0,1]=4 3871 B14R1.882 C=CCCNCCc1ccccc1C 34a_100000685071_100000754431 [1,1,0,0,0,0|1,0,1]=4 3872 B14R1.882 C=CCCNCCc1ccccc1Cl 2230a_100011207228_100000754431 [1,1,0,0,0,0|1,0,1]=4 3873 B14R1.882 C=CCCNCCc1ccccc1Cl 2230a_100015191253_100011713703 [1,1,0,0,0,0|1,0,1]=4 3874 B14R1.882 C=CCCNCCc1ccccc1Cl 270004a_100015191253_200011713468 [1,1,0,0,0,0|1,0,1]=4 3875 B14R1.882 C=CCCNCCc1ccccc1Cl 34a_100011207228_100000754431 [1,1,0,0,0,0|1,0,1]=4 3876 B14R1.882 C=CCCNCCc1ccccc1F 2230a_100000185272_100000754431 [1,1,0,0,0,0|1,0,1]=4 3877 B14R1.882 C=CCCNCCc1ccccc1F 2230a_100015191253_100011713696 [1,1,0,0,0,0|1,0,1]=4 3878 B14R1.882 C=CCCNCCc1ccccc1F 34a_100000185272_100000754431 [1,1,0,0,0,0|1,0,1]=4 3879 B14R1.882 C=CCCNCCc1ccccc1O 34a_100011207237_100000754431 [1,1,0,0,0,0|1,0,1]=4 3880 B14R1.882 CC#CCNCCc1ccccc1Br 2230a_100000685387_100012161201 [1,1,0,0,0,0|1,0,1]=4 3881 B14R1.882 CC#CCNCCc1ccccc1Br 2230a_100000747383_100000748600 [1,1,0,0,0,0|1,0,1]=4 3882 B14R1.882 CC#CCNCCc1ccccc1Br 34a_100000685387_100012161201 [1,1,0,0,0,0|1,0,1]=4 3883 B14R1.882 CC#CCNCCc1ccccc1Br 34a_100000747383_100000748600 [1,1,0,0,0,0|1,0,1]=4 3884 B14R1.882 CC#CCNCCc1ccccc1C 2230a_100000685071_100000748600 [1,1,0,0,0,0|1,0,1]=4 3885 B14R1.882 CC#CCNCCc1ccccc1C 2230a_100000685387_100011713688 [1,1,0,0,0,0|1,0,1]=4 3886 B14R1.882 CC#CCNCCc1ccccc1C 34a_100000685071_100000748600 [1,1,0,0,0,0|1,0,1]=4 3887 B14R1.882 CC#CCNCCc1ccccc1C 34a_100000685387_100011713688 [1,1,0,0,0,0|1,0,1]=4 3888 B14R1.882 CC#CCNCCc1ccccc1Cl 2230a_100000685387_100011713703 [1,1,0,0,0,0|1,0,1]=4 3889 B14R1.882 CC#CCNCCc1ccccc1Cl 2230a_100011207228_100000748600 [1,1,0,0,0,0|1,0,1]=4 3890 B14R1.882 CC#CCNCCc1ccccc1Cl 34a_100000685387_100011713703 [1,1,0,0,0,0|1,0,1]=4 3891 B14R1.882 CC#CCNCCc1ccccc1Cl 34a_100011207228_100000748600 [1,1,0,0,0,0|1,0,1]=4 3892 B14R1.882 CC#CCNCCc1ccccc1F 2230a_100000185272_100000748600 [1,1,0,0,0,0|1,0,1]=4 3893 B14R1.882 CC#CCNCCc1ccccc1F 2230a_100000685387_100011713696 [1,1,0,0,0,0|1,0,1]=4 3894 B14R1.882 CC#CCNCCc1ccccc1F 34a_100000185272_100000748600 [1,1,0,0,0,0|1,0,1]=4 3895 B14R1.882 CC#CCNCCc1ccccc1F 34a_100000685387_100000720011 [1,1,0,0,0,0|1,0,1]=4 3896 B14R1.882 CC#CCNCCc1ccccc1O 34a_100000685387_100000722297 [1,1,0,0,0,0|1,0,1]=4 3897 B14R1.882 CC#CCNCCc1ccccc1O 34a_100011207237_100000748600 [1,1,0,0,0,0|1,0,1]=4 3898 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000102301_100012161201 [1,1,0,0,0,0|1,0,1]=4 3899 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000747383_100000210211 [1,1,0,0,0,0|1,0,1]=4 3900 B14R1.882 CCCCNCCc1ccccc1Br 34a_100000747383_100000210210 [1,1,0,0,0,0|1,0,1]=4 3901 B14R1.882 CCCCNCCc1ccccc1Br 7a_106832991798_100012161201 [1,1,0,0,0,0|1,0,1]=4 3902 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000102301_100011713688 [1,1,0,0,0,0|1,0,1]=4 3903 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000685071_100000210211 [1,1,0,0,0,0|1,0,1]=4 3904 B14R1.882 CCCCNCCc1ccccc1C 34a_100000685071_100000210210 [1,1,0,0,0,0|1,0,1]=4 3905 B14R1.882 CCCCNCCc1ccccc1C 7a_106832991798_100011713688 [1,1,0,0,0,0|1,0,1]=4 3906 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100000102301_100011713703 [1,1,0,0,0,0|1,0,1]=4 3907 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100011207228_100000210211 [1,1,0,0,0,0|1,0,1]=4 3908 B14R1.882 CCCCNCCc1ccccc1Cl 270004a_100000102301_200011713468 [1,1,0,0,0,0|1,0,1]=4 3909 B14R1.882 CCCCNCCc1ccccc1Cl 34a_100011207228_100000210210 [1,1,0,0,0,0|1,0,1]=4 3910 B14R1.882 CCCCNCCc1ccccc1Cl 7a_106832991798_100011713703 [1,1,0,0,0,0|1,0,1]=4 3911 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000102301_100011713696 [1,1,0,0,0,0|1,0,1]=4 3912 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000185272_100000210211 [1,1,0,0,0,0|1,0,1]=4 3913 B14R1.882 CCCCNCCc1ccccc1F 34a_100000185272_100000210210 [1,1,0,0,0,0|1,0,1]=4 3914 B14R1.882 CCCCNCCc1ccccc1F 7a_106832991798_100000720011 [1,1,0,0,0,0|1,0,1]=4 3915 B14R1.882 CCCCNCCc1ccccc1O 34a_100011207237_100000210210 [1,1,0,0,0,0|1,0,1]=4 3916 B14R1.882 CCCCNCCc1ccccc1O 7a_106832991798_100000722297 [1,1,0,0,0,0|1,0,1]=4 3917 B14R1.882 COCCNCCc1ccccc1Br 2230a_100000209980_100012161201 [1,1,0,0,0,0|2,0,0]=4 3918 B14R1.882 COCCNCCc1ccccc1Br 2230a_100000747383_100011201679 [1,1,0,0,0,0|2,0,0]=4 3919 B14R1.882 COCCNCCc1ccccc1Br 34a_100000747383_100011201679 [1,1,0,0,0,0|2,0,0]=4 3920 B14R1.882 COCCNCCc1ccccc1C 2230a_100000209980_100011713688 [1,1,0,0,0,0|2,0,0]=4 3921 B14R1.882 COCCNCCc1ccccc1C 2230a_100000685071_100011201679 [1,1,0,0,0,0|2,0,0]=4 3922 B14R1.882 COCCNCCc1ccccc1C 34a_100000685071_100011201679 [1,1,0,0,0,0|2,0,0]=4 3923 B14R1.882 COCCNCCc1ccccc1Cl 2230a_100000209980_100011713703 [1,1,0,0,0,0|2,0,0]=4 3924 B14R1.882 COCCNCCc1ccccc1Cl 2230a_100011207228_100011201679 [1,1,0,0,0,0|2,0,0]=4 3925 B14R1.882 COCCNCCc1ccccc1Cl 270004a_100000209980_200011713468 [1,1,0,0,0,0|2,0,0]=4 3926 B14R1.882 COCCNCCc1ccccc1Cl 34a_100011207228_100011201679 [1,1,0,0,0,0|2,0,0]=4 3927 B14R1.882 COCCNCCc1ccccc1F 2230a_100000185272_100011201679 [1,1,0,0,0,0|2,0,0]=4 3928 B14R1.882 COCCNCCc1ccccc1F 2230a_100000209980_100011713696 [1,1,0,0,0,0|2,0,0]=4 3929 B14R1.882 COCCNCCc1ccccc1F 34a_100000185272_100011201679 [1,1,0,0,0,0|2,0,0]=4 3930 B14R1.882 COCCNCCc1ccccc1O 34a_100011207237_100011201679 [1,1,0,0,0,0|2,0,0]=4 3931 B14R1.882 CSCCNCCc1ccccc1Br 2230a_100000747383_100000751147 [1,1,0,0,0,0|2,0,0]=4 3932 B14R1.882 CSCCNCCc1ccccc1Br 2230a_100020590264_100012161201 [1,1,0,0,0,0|2,0,0]=4 3933 B14R1.882 CSCCNCCc1ccccc1Br 34a_100000747383_100000212216 [1,1,0,0,0,0|2,0,0]=4 3934 B14R1.882 CSCCNCCc1ccccc1C 2230a_100000685071_100000751147 [1,1,0,0,0,0|2,0,0]=4 3935 B14R1.882 CSCCNCCc1ccccc1C 2230a_100020590264_100011713688 [1,1,0,0,0,0|2,0,0]=4 3936 B14R1.882 CSCCNCCc1ccccc1C 34a_100000685071_100000212216 [1,1,0,0,0,0|2,0,0]=4 3937 B14R1.882 CSCCNCCc1ccccc1Cl 2230a_100011207228_100000751147 [1,1,0,0,0,0|2,0,0]=4 3938 B14R1.882 CSCCNCCc1ccccc1Cl 2230a_100020590264_100011713703 [1,1,0,0,0,0|2,0,0]=4 3939 B14R1.882 CSCCNCCc1ccccc1Cl 270004a_100020590264_200011713468 [1,1,0,0,0,0|2,0,0]=4 3940 B14R1.882 CSCCNCCc1ccccc1Cl 34a_100011207228_100000212216 [1,1,0,0,0,0|2,0,0]=4 3941 B14R1.882 CSCCNCCc1ccccc1F 2230a_100000185272_100000751147 [1,1,0,0,0,0|2,0,0]=4 3942 B14R1.882 CSCCNCCc1ccccc1F 2230a_100020590264_100011713696 [1,1,0,0,0,0|2,0,0]=4 3943 B14R1.882 CSCCNCCc1ccccc1F 34a_100000185272_100000212216 [1,1,0,0,0,0|2,0,0]=4 3944 B14R1.882 CSCCNCCc1ccccc1O 34a_100011207237_100000212216 [1,1,0,0,0,0|2,0,0]=4 3945 B14R1.882 Cc1ccccc1C=NNCCC#N 4a_100000229987_100000211143 [1,1,0,0,0,0|1,0,1]=4 3946 B14R1.882 Cc1ccccc1CCNCCC#N 2230a_100000685071_100011215226 [1,1,0,0,0,0|0,0,0]=2 3947 B14R1.882 Cc1ccccc1CCNCCCF 2230a_100000685071_100011934791 [1,1,0,0,0,0|1,0,1]=4 3948 B14R1.882 Cc1ccccc1CCNCCCF 2230a_100015189416_100011713688 [1,1,0,0,0,0|1,0,1]=4 3949 B14R1.882 Cc1ccccc1CCNCCCF 34a_100000685071_100011934791 [1,1,0,0,0,0|1,0,1]=4 3950 B14R1.882 Cc1ccccc1CCNCCCF 34a_100015189416_100011713688 [1,1,0,0,0,0|1,0,1]=4 3951 B14R1.882 Cc1ccccc1CCNCCCO 2230a_100000685071_100000230001 [1,1,0,0,0,0|1,0,1]=4 3952 B14R1.882 Cc1ccccc1CCNCCCO 34a_100000685071_100000230001 [1,1,0,0,0,0|1,0,1]=4 3953 B14R1.882 Cc1ccccc1CCOCCC#N 7a_100011220023_100000184422 [1,1,0,0,0,0|1,0,0]=3 3954 B14R1.882 Cc1ccccc1CCSCCC#N 62a_100011215226_100011713688 [1,1,0,0,0,0|1,0,0]=3 3955 B14R1.882 Cc1ccccc1CCSCCC#N 62a_100011713688_100011215226 [1,1,0,0,0,0|1,0,0]=3 3956 B14R1.882 Cc1ccccc1CCSCSC#N 62a_100000211825_100011713688 [1,1,0,0,0,0|2,0,0]=4 3957 B14R1.882 Cc1ccccc1CCSCSC#N 62a_100011713688_100000211825 [1,1,0,0,0,0|2,0,0]=4 3958 B14R1.882 Cc1ccccc1COCCCC#N 7a_100000698903_100000687738 [1,1,0,0,0,0|2,0,0]=4 3959 B14R1.882 Cc1ccccc1CSCCCC#N 62a_100000211839_100000687738 [1,1,0,0,0,0|2,0,0]=4 3960 B14R1.882 Cc1ccccc1CSCCCC#N 62a_100000687738_100000211839 [1,1,0,0,0,0|2,0,0]=4 3961 B14R1.882 Cc1ccccc1OCCCCC#N 7a_100000210338_100000211819 [1,1,0,0,0,0|2,0,0]=4 3962 B14R1.882 Cc1ccccc1SCCCCC#N 62a_100000210755_100000211819 [1,1,0,0,0,0|2,0,0]=4 3963 B14R1.882 Cc1ccccc1SCCCCC#N 62a_100011219923_100000210755 [1,1,0,0,0,0|2,0,0]=4 3964 B14R1.882 Cc1cccnc1CCOCCC#N 7a_100011997706_100000184422 [1,1,0,0,0,0|2,0,0]=4 3965 B14R1.882 FCCCNCCc1ccccc1Br 2230a_100000747383_100011934791 [1,1,0,0,0,0|1,0,1]=4 3966 B14R1.882 FCCCNCCc1ccccc1Br 2230a_100015189416_100012161201 [1,1,0,0,0,0|1,0,1]=4 3967 B14R1.882 FCCCNCCc1ccccc1Br 34a_100000747383_100011934791 [1,1,0,0,0,0|1,0,1]=4 3968 B14R1.882 FCCCNCCc1ccccc1Br 34a_100015189416_100012161201 [1,1,0,0,0,0|1,0,1]=4 3969 B14R1.882 FCCCNCCc1ccccc1Cl 2230a_100011207228_100011934791 [1,1,0,0,0,0|1,0,1]=4 3970 B14R1.882 FCCCNCCc1ccccc1Cl 2230a_100015189416_100011713703 [1,1,0,0,0,0|1,0,1]=4 3971 B14R1.882 FCCCNCCc1ccccc1Cl 270004a_100015189416_200011713468 [1,1,0,0,0,0|1,0,1]=4 3972 B14R1.882 FCCCNCCc1ccccc1Cl 34a_100011207228_100011934791 [1,1,0,0,0,0|1,0,1]=4 3973 B14R1.882 FCCCNCCc1ccccc1Cl 34a_100015189416_100011713703 [1,1,0,0,0,0|1,0,1]=4 3974 B14R1.882 FCCCNCCc1ccccc1F 2230a_100000185272_100011934791 [1,1,0,0,0,0|1,0,1]=4 3975 B14R1.882 FCCCNCCc1ccccc1F 2230a_100015189416_100011713696 [1,1,0,0,0,0|1,0,1]=4 3976 B14R1.882 FCCCNCCc1ccccc1F 34a_100000185272_100011934791 [1,1,0,0,0,0|1,0,1]=4 3977 B14R1.882 FCCCNCCc1ccccc1F 34a_100015189416_100000720011 [1,1,0,0,0,0|1,0,1]=4 3978 B14R1.882 N#CCCCCOc1ccccc1Br 7a_100000181306_100000211819 [1,1,0,0,0,0|2,0,0]=4 3979 B14R1.882 N#CCCCCOc1ccccc1Cl 7a_100000210172_100000211819 [1,1,0,0,0,0|2,0,0]=4 3980 B14R1.882 N#CCCCCOc1ccccc1F 7a_100000210171_100000211819 [1,1,0,0,0,0|2,0,0]=4 3981 B14R1.882 N#CCCCCOc1ccccc1I 7a_100000739446_100000211819 [1,1,0,0,0,0|2,0,0]=4 3982 B14R1.882 N#CCCCCOc1ccccc1N 7a_100000185747_100000211819 [1,1,0,0,0,0|2,0,0]=4 3983 B14R1.882 N#CCCCCSc1ccccc1Br 62a_100000695589_100000211819 [1,1,0,0,0,0|2,0,0]=4 3984 B14R1.882 N#CCCCCSc1ccccc1Br 62a_100011219923_100000695589 [1,1,0,0,0,0|2,0,0]=4 3985 B14R1.882 N#CCCCCSc1ccccc1Cl 62a_100000764095_100000211819 [1,1,0,0,0,0|2,0,0]=4 3986 B14R1.882 N#CCCCCSc1ccccc1Cl 62a_100011219923_100000764095 [1,1,0,0,0,0|2,0,0]=4 3987 B14R1.882 N#CCCCCSc1ccccc1F 62a_100011215700_100000211819 [1,1,0,0,0,0|2,0,0]=4 3988 B14R1.882 N#CCCCCSc1ccccc1F 62a_100011219923_100011215700 [1,1,0,0,0,0|2,0,0]=4 3989 B14R1.882 N#CCCCCSc1ccccc1N 62a_100000210017_100000211819 [1,1,0,0,0,0|2,0,0]=4 3990 B14R1.882 N#CCCCCSc1ccccc1N 62a_100011219923_100000210017 [1,1,0,0,0,0|2,0,0]=4 3991 B14R1.882 N#CCCCCSc1ccccc1O 62a_100000739446_100000211819 [1,1,0,0,0,0|2,0,0]=4 3992 B14R1.882 N#CCCCCSc1ccccc1O 62a_100011219923_100000739446 [1,1,0,0,0,0|2,0,0]=4 3993 B14R1.882 N#CCCCNCc1ccccc1Br 2230a_100000689332_100000687738 [1,1,0,0,0,0|2,0,0]=4 3994 B14R1.882 N#CCCCNCc1ccccc1Cl 2230a_100000174879_100000687738 [1,1,0,0,0,0|2,0,0]=4 3995 B14R1.882 N#CCCCOCc1ccccc1Br 7a_100000756307_100000687738 [1,1,0,0,0,0|2,0,0]=4 3996 B14R1.882 N#CCCCOCc1ccccc1Cl 7a_100000210847_100000687738 [1,1,0,0,0,0|2,0,0]=4 3997 B14R1.882 N#CCCCOCc1ccccc1F 7a_100000211962_100000687738 [1,1,0,0,0,0|2,0,0]=4 3998 B14R1.882 N#CCCCOCc1ccccc1I 7a_100000187465_100000687738 [1,1,0,0,0,0|2,0,0]=4 3999 B14R1.882 N#CCCCSCc1ccccc1Br 62a_100000184730_100000687738 [1,1,0,0,0,0|2,0,0]=4 4000 B14R1.882 N#CCCCSCc1ccccc1Br 62a_100000687738_100000184730 [1,1,0,0,0,0|2,0,0]=4 4001 B14R1.882 N#CCCCSCc1ccccc1Cl 62a_100000187162_100000687738 [1,1,0,0,0,0|2,0,0]=4 4002 B14R1.882 N#CCCCSCc1ccccc1Cl 62a_100000687738_100000187162 [1,1,0,0,0,0|2,0,0]=4 4003 B14R1.882 N#CCCCSCc1ccccc1F 62a_100000211605_100000687738 [1,1,0,0,0,0|2,0,0]=4 4004 B14R1.882 N#CCCCSCc1ccccc1F 62a_100000687738_100000211605 [1,1,0,0,0,0|2,0,0]=4 4005 B14R1.882 N#CCCCSCc1ccccc1I 62a_100000687738_100011216222 [1,1,0,0,0,0|2,0,0]=4 4006 B14R1.882 N#CCCCSCc1ccccc1I 62a_100011216222_100000687738 [1,1,0,0,0,0|2,0,0]=4 4007 B14R1.882 N#CCCNCCc1ccccc1Br 2230a_100000747383_100011215226 [1,1,0,0,0,0|0,0,0]=2 4008 B14R1.882 N#CCCNCCc1ccccc1Cl 2230a_100011207228_100011215226 [1,1,0,0,0,0|0,0,0]=2 4009 B14R1.882 N#CCCNCCc1ccccc1Cl 270004a_100000720768_200011713468 [1,1,0,0,0,0|0,0,0]=2 4010 B14R1.882 N#CCCNCCc1ccccc1F 2230a_100000185272_100011215226 [1,1,0,0,0,0|0,0,0]=2 4011 B14R1.882 N#CCCNCCn1ccccc1=O 2230a_100000687133_100011215226 [1,1,0,0,0,0|1,0,0]=3 4012 B14R1.882 N#CCCNN=Cc1ccccc1Br 4a_100000229987_100000211189 [1,1,0,0,0,0|1,0,1]=4 4013 B14R1.882 N#CCCNN=Cc1ccccc1Cl 4a_100000229987_100000210073 [1,1,0,0,0,0|1,0,1]=4 4014 B14R1.882 N#CCCNN=Cc1ccccc1F 4a_100000229987_100000210811 [1,1,0,0,0,0|1,0,1]=4 4015 B14R1.882 N#CCCNN=Cc1ccccc1I 4a_100000229987_100000010305 [1,1,0,0,0,0|1,0,1]=4 4016 B14R1.882 N#CCCNN=Cc1ccccc1O 4a_100000229987_100000185834 [1,1,0,0,0,0|1,0,1]=4 4017 B14R1.882 N#CCCOCCc1ccccc1Br 7a_100000731337_100000184422 [1,1,0,0,0,0|1,0,0]=3 4018 B14R1.882 N#CCCOCCc1ccccc1Cl 7a_100011215284_100000184422 [1,1,0,0,0,0|1,0,0]=3 4019 B14R1.882 N#CCCOCCc1ccccc1F 7a_100000753711_100000184422 [1,1,0,0,0,0|1,0,0]=3 4020 B14R1.882 N#CCCOCCc1ccccc1I 7a_100010255290_100000184422 [1,1,0,0,0,0|1,0,0]=3 4021 B14R1.882 N#CCCSCCc1ccccc1Br 62a_100011215226_100012161201 [1,1,0,0,0,0|1,0,0]=3 4022 B14R1.882 N#CCCSCCc1ccccc1Br 62a_100012161201_100011215226 [1,1,0,0,0,0|1,0,0]=3 4023 B14R1.882 N#CCCSCCc1ccccc1Cl 62a_100011215226_100011713703 [1,1,0,0,0,0|1,0,0]=3 4024 B14R1.882 N#CCCSCCc1ccccc1Cl 62a_100011713703_100011215226 [1,1,0,0,0,0|1,0,0]=3 4025 B14R1.882 N#CCCSCCc1ccccc1F 62a_100011215226_100011713696 [1,1,0,0,0,0|1,0,0]=3 4026 B14R1.882 N#CCCSCCc1ccccc1F 62a_100011713696_100011215226 [1,1,0,0,0,0|1,0,0]=3 4027 B14R1.882 N#CCCSCCc1ccccc1O 62a_100000722297_100011215226 [1,1,0,0,0,0|1,0,0]=3 4028 B14R1.882 N#CCCSCCc1ccccc1O 62a_100011215226_100000722297 [1,1,0,0,0,0|1,0,0]=3 4029 B14R1.882 N#CCNCCCc1ccccc1F 2230a_100000724733_100011215382 [1,1,0,0,0,0|2,0,0]=4 4030 B14R1.882 N#CCOCCCc1ccccc1Br 7a_100000699526_100011215382 [1,1,0,0,0,0|2,0,0]=4 4031 B14R1.882 N#CCOCCCc1ccccc1Cl 7a_100011709251_100011215382 [1,1,0,0,0,0|2,0,0]=4 4032 B14R1.882 N#CCOCCCc1ccccc1F 7a_100011709249_100011215382 [1,1,0,0,0,0|2,0,0]=4 4033 B14R1.882 N#CCSCCCc1ccccc1Br 62a_100011215382_200011713681 [1,1,0,0,0,0|2,0,0]=4 4034 B14R1.882 N#CCSCCCc1ccccc1Br 62a_200011713681_100011215382 [1,1,0,0,0,0|2,0,0]=4 4035 B14R1.882 N#CSCSCCc1ccccc1Br 62a_100000211825_100012161201 [1,1,0,0,0,0|2,0,0]=4 4036 B14R1.882 N#CSCSCCc1ccccc1Br 62a_100012161201_100000211825 [1,1,0,0,0,0|2,0,0]=4 4037 B14R1.882 N#CSCSCCc1ccccc1Cl 62a_100000211825_100011713703 [1,1,0,0,0,0|2,0,0]=4 4038 B14R1.882 N#CSCSCCc1ccccc1Cl 62a_100011713703_100000211825 [1,1,0,0,0,0|2,0,0]=4 4039 B14R1.882 N#CSCSCCc1ccccc1F 62a_100000211825_100011713696 [1,1,0,0,0,0|2,0,0]=4 4040 B14R1.882 N#CSCSCCc1ccccc1F 62a_100011713696_100000211825 [1,1,0,0,0,0|2,0,0]=4 4041 B14R1.882 N#CSCSCCc1ccccc1O 62a_100000211825_100000722297 [1,1,0,0,0,0|2,0,0]=4 4042 B14R1.882 N#CSCSCCc1ccccc1O 62a_100000722297_100000211825 [1,1,0,0,0,0|2,0,0]=4 4043 B14R1.882 OCCCNCCc1ccccc1Br 2230a_100000747383_100000230001 [1,1,0,0,0,0|1,0,1]=4 4044 B14R1.882 OCCCNCCc1ccccc1Br 34a_100000747383_100000230001 [1,1,0,0,0,0|1,0,1]=4 4045 B14R1.882 OCCCNCCc1ccccc1Cl 2230a_100011207228_100000230001 [1,1,0,0,0,0|1,0,1]=4 4046 B14R1.882 OCCCNCCc1ccccc1Cl 270004a_100000182051_200011713468 [1,1,0,0,0,0|1,0,1]=4 4047 B14R1.882 OCCCNCCc1ccccc1Cl 34a_100011207228_100000230001 [1,1,0,0,0,0|1,0,1]=4 4048 B14R1.882 OCCCNCCc1ccccc1F 2230a_100000185272_100000230001 [1,1,0,0,0,0|1,0,1]=4 4049 B14R1.882 OCCCNCCc1ccccc1F 34a_100000185272_100000230001 [1,1,0,0,0,0|1,0,1]=4 4050 B14R1.882 OCCCNCCc1ccccc1O 34a_100011207237_100000230001 [1,1,0,0,0,0|1,0,1]=4 4051 B14R1.882 Oc1ccccc1CCNCCCF 34a_100011207237_100011934791 [1,1,0,0,0,0|1,0,1]=4 4052 B14R1.882 Oc1ccccc1CCNCCCF 34a_100015189416_100000722297 [1,1,0,0,0,0|1,0,1]=4 4053 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000688953 [1,1,0,0,0,0|2,0,0]=4 4054 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000730999 [1,1,0,0,0,0|2,0,0]=4 4055 B14R1.33 C#CCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000688953 [1,1,0,0,0,0|2,0,0]=4 4056 B14R1.33 C#CCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000730999 [1,1,0,0,0,0|2,0,0]=4 4057 B14R1.33 C#CCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000688953 [1,1,0,0,0,0|2,0,0]=4 4058 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000688953 [1,1,0,0,0,0|2,0,0]=4 4059 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000730999 [1,1,0,0,0,0|2,0,0]=4 4060 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000688953 [1,1,0,0,0,0|2,0,0]=4 4061 B14R1.33 C#CCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000688953 [1,1,0,0,0,0|2,0,0]=4 4062 B14R1.33 C#CCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000730999 [1,1,0,0,0,0|2,0,0]=4 4063 B14R1.33 C#CCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000688953 [1,1,0,0,0,0|2,0,0]=4 4064 B14R1.33 C#CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000688953 [1,1,0,0,0,0|2,0,0]=4 4065 B14R1.33 C#CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000730999 [1,1,0,0,0,0|2,0,0]=4 4066 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000038162 [1,1,0,0,0,0|0,0,1]=3 4067 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000184674 [1,1,0,0,0,0|0,0,1]=3 4068 B14R1.33 C#CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000184674 [1,1,0,0,0,0|1,0,1]=4 4069 B14R1.33 C#CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000038162 [1,1,0,0,0,0|1,0,1]=4 4070 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Br 270004a_100020586998_100000691760 [1,1,0,0,0,0|0,0,2]=4 4071 B14R1.33 C=CCNC(C)Cc1ccc(cc1)C 270004a_100020586998_100000751045 [1,1,0,0,0,0|0,0,2]=4 4072 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Cl 270004a_100020586998_100000747806 [1,1,0,0,0,0|0,0,2]=4 4073 B14R1.33 C=CCNC(C)Cc1ccc(cc1)F 270004a_100020586998_100000745281 [1,1,0,0,0,0|0,0,2]=4 4074 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210623 [1,1,0,0,0,0|0,0,2]=4 4075 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 270004a_100020586998_100011218180 [1,1,0,0,0,0|0,0,2]=4 4076 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100015514636 [1,1,0,0,0,0|0,0,2]=4 4077 B14R1.33 CC(Cc1ccc(cc1)Br)NCCO 270004a_100000210304_100000691760 [1,1,0,0,0,0|1,0,0]=3 4078 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCO 270004a_100000210304_100000747806 [1,1,0,0,0,0|1,0,0]=3 4079 B14R1.33 CC(Cc1ccc(cc1)F)NCCO 270004a_100000210304_100000745281 [1,1,0,0,0,0|1,0,0]=3 4080 B14R1.33 CC(Cc1ccc(cc1)F)OCC#N 7a_100011351027_100011215382 [1,1,0,0,0,0|1,0,0]=3 4081 B14R1.33 CC(Cc1ccc(cc1)F)OCCF 34a_100011351027_100011217306 [1,1,0,0,0,0|2,0,0]=4 4082 B14R1.33 CC(Cc1ccc(cc1)F)OCCF 7a_100011351027_100011217306 [1,1,0,0,0,0|2,0,0]=4 4083 B14R1.33 CC(Cc1ccc(cc1)F)OCCO 34a_100011351027_100000211926 [1,1,0,0,0,0|2,0,0]=4 4084 B14R1.33 CC(Cc1ccc(cc1)F)OCCO 7a_100011351027_100000211926 [1,1,0,0,0,0|2,0,0]=4 4085 B14R1.33 CC(Cc1ccc(cc1)O)NCC#N 2230a_100102634573_100011215382 [1,1,0,0,0,0|0,0,0]=2 4086 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 2230a_100102634573_200015260668 [1,1,0,0,0,0|1,0,1]=4 4087 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 34a_100102634573_200009817547 [1,1,0,0,0,0|1,0,1]=4 4088 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 2230a_100102634573_100011217306 [1,1,0,0,0,0|1,0,0]=3 4089 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 34a_100102634573_100011217306 [1,1,0,0,0,0|1,0,0]=3 4090 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 2230a_100102634573_100000211926 [1,1,0,0,0,0|1,0,0]=3 4091 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 270004a_100000210304_100011218180 [1,1,0,0,0,0|1,0,0]=3 4092 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 34a_100102634573_100000211926 [1,1,0,0,0,0|1,0,0]=3 4093 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br 270004a_100020643023_100000691760 [1,1,0,0,0,0|0,0,1]=3 4094 B14R1.33 CCCNC(C)Cc1ccc(cc1)C 270004a_100020643023_100000751045 [1,1,0,0,0,0|0,0,1]=3 4095 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl 270004a_100020643023_100000747806 [1,1,0,0,0,0|0,0,1]=3 4096 B14R1.33 CCCNC(C)Cc1ccc(cc1)F 270004a_100020643023_100000745281 [1,1,0,0,0,0|0,0,1]=3 4097 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210303 [1,1,0,0,0,0|0,0,1]=3 4098 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 270004a_100020643023_100011218180 [1,1,0,0,0,0|0,0,1]=3 4099 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210303 [1,1,0,0,0,0|0,0,1]=3 4100 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210303 [1,1,0,0,0,0|1,0,1]=4 4101 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210303 [1,1,0,0,0,0|1,0,1]=4 4102 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Br 2230a_100000180866_100011215226 [1,1,0,0,0,0|1,0,0]=3 4103 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Br 2230a_100000184479_100011217064 [1,1,0,0,0,0|1,0,0]=3 4104 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Br 269982a_100000180866_100011215226 [1,1,0,0,0,0|1,0,0]=3 4105 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Br 270004a_100000184479_100000186029 [1,1,0,0,0,0|1,0,0]=3 4106 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Cl 2230a_100000184479_100000694040 [1,1,0,0,0,0|1,0,0]=3 4107 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Cl 2230a_100000184517_100011215226 [1,1,0,0,0,0|1,0,0]=3 4108 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Cl 269982a_100000184517_100011215226 [1,1,0,0,0,0|1,0,0]=3 4109 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Cl 270004a_100000184479_100000189385 [1,1,0,0,0,0|1,0,0]=3 4110 B14R1.33 CN(CCC#N)Cc1ccc(cc1)F 2230a_100000184479_100000198546 [1,1,0,0,0,0|1,0,0]=3 4111 B14R1.33 CN(CCC#N)Cc1ccc(cc1)F 2230a_100000184576_100011215226 [1,1,0,0,0,0|1,0,0]=3 4112 B14R1.33 CN(CCC#N)Cc1ccc(cc1)F 269982a_100000184576_100011215226 [1,1,0,0,0,0|1,0,0]=3 4113 B14R1.33 CN(CCC#N)Cc1ccc(cc1)F 270004a_100000184479_100000210084 [1,1,0,0,0,0|1,0,0]=3 4114 B14R1.33 CN(CCC#N)Cc1ccc(cc1)I 2230a_100000184479_100000189116 [1,1,0,0,0,0|1,0,0]=3 4115 B14R1.33 CN(CCC#N)Cc1ccc(cc1)O 2230a_100000207500_100011215226 [1,1,0,0,0,0|1,0,0]=3 4116 B14R1.33 CN(CCC#N)Cc1ccc(cc1)O 269982a_100000207500_100011215226 [1,1,0,0,0,0|1,0,0]=3 4117 B14R1.33 CN(CCC#N)Cc1ccc(cn1)Br 2230a_100000184479_100000702658 [1,1,0,0,0,0|2,0,0]=4 4118 B14R1.33 CN(CCC#N)Cc1ccc(cn1)Br 270004a_100000184479_100000754260 [1,1,0,0,0,0|2,0,0]=4 4119 B14R1.33 CN(CCC#N)Cc1ccc(cn1)Cl 2230a_100000184479_100012066911 [1,1,0,0,0,0|2,0,0]=4 4120 B14R1.33 CN(CCC#N)Cc1ccc(cn1)Cl 270004a_100000184479_100011361569 [1,1,0,0,0,0|2,0,0]=4 4121 B14R1.33 CN(CCC#N)Cc1ccc(cn1)F 2230a_100000184479_100000703193 [1,1,0,0,0,0|2,0,0]=4 4122 B14R1.33 CN(CCC#N)Cc1ccc(cn1)F 270004a_100000184479_100011934744 [1,1,0,0,0,0|2,0,0]=4 4123 B14R1.33 CN(CCC#N)Cc1ccc(nc1)Br 2230a_100000184479_100009831999 [1,1,0,0,0,0|2,0,0]=4 4124 B14R1.33 CN(CCC#N)Cc1ccc(nc1)Cl 2230a_100000026953_100011215226 [1,1,0,0,0,0|2,0,0]=4 4125 B14R1.33 CN(CCC#N)Cc1ccc(nc1)Cl 2230a_100000184479_100000735431 [1,1,0,0,0,0|2,0,0]=4 4126 B14R1.33 CN(CCC#N)Cc1ccc(nc1)Cl 269982a_100000026953_100011215226 [1,1,0,0,0,0|2,0,0]=4 4127 B14R1.33 CN(CCC#N)Cc1ccc(nc1)F 2230a_100000184479_100009820150 [1,1,0,0,0,0|2,0,0]=4 4128 B14R1.33 CN(CSC#N)Cc1ccc(cc1)Br 269982a_100000180866_100000211825 [1,1,0,0,0,0|2,0,0]=4 4129 B14R1.33 CN(CSC#N)Cc1ccc(cc1)Cl 269982a_100000184517_100000211825 [1,1,0,0,0,0|2,0,0]=4 4130 B14R1.33 CN(CSC#N)Cc1ccc(cc1)F 269982a_100000184576_100000211825 [1,1,0,0,0,0|2,0,0]=4 4131 B14R1.33 CN(CSC#N)Cc1ccc(cc1)O 269982a_100000207500_100000211825 [1,1,0,0,0,0|2,0,0]=4 4132 B14R1.33 COCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000766300 [1,1,0,0,0,0|1,0,1]=4 4133 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011218213 [1,1,0,0,0,0|1,0,1]=4 4134 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011218213 [1,1,0,0,0,0|1,0,1]=4 4135 B14R1.33 Cc1ccc(cc1)CC(=O)CCC#N 1458a_100000212244_100011215226 [1,1,0,0,0,0|1,0,1]=4 4136 B14R1.33 Cc1ccc(cc1)CC(=O)CCC#N 1458a_100011934036_100000210814 [1,1,0,0,0,0|1,0,1]=4 4137 B14R1.33 Cc1ccc(cc1)CC(=O)NCC#N 527a_100000734998_100000212244 [1,1,0,0,0,0|1,0,1]=4 4138 B14R1.33 Cc1ccc(cc1)CC(C)NCCO 270004a_100000210304_100000751045 [1,1,0,0,0,0|1,0,0]=3 4139 B14R1.33 Cc1ccc(cc1)CN(C)CCC#N 2230a_100000184479_100000210814 [1,1,0,0,0,0|1,0,0]=3 4140 B14R1.33 Cc1ccc(cc1)CN(C)CCC#N 2230a_100000744650_100011215226 [1,1,0,0,0,0|1,0,0]=3 4141 B14R1.33 Cc1ccc(cc1)CN(C)CCC#N 269982a_100000744650_100011215226 [1,1,0,0,0,0|1,0,0]=3 4142 B14R1.33 Cc1ccc(cc1)CN(C)CCC#N 270004a_100000184479_100000211033 [1,1,0,0,0,0|1,0,0]=3 4143 B14R1.33 Cc1ccc(cc1)CN(C)CSC#N 269982a_100000744650_100000211825 [1,1,0,0,0,0|2,0,0]=4 4144 B14R1.33 Cc1ccc(cn1)CN(C)CCC#N 2230a_100000184479_100016987292 [1,1,0,0,0,0|2,0,0]=4 4145 B14R1.33 Cc1ccc(cn1)CN(C)CCC#N 2230a_106623407658_100011215226 [1,1,0,0,0,0|2,0,0]=4 4146 B14R1.33 Cc1ccc(cn1)CN(C)CCC#N 269982a_106623407658_100011215226 [1,1,0,0,0,0|2,0,0]=4 4147 B14R1.33 Cc1ccc(cn1)CN(C)CCC#N 270004a_100000184479_100000743784 [1,1,0,0,0,0|2,0,0]=4 4148 B14R1.33 Cc1ccc(nc1)CN(C)CCC#N 2230a_100000184479_100000691093 [1,1,0,0,0,0|2,0,0]=4 4149 B14R1.33 Cc1ccc(nc1)CN(C)CCC#N 2230a_200000717808_100011215226 [1,1,0,0,0,0|2,0,0]=4 4150 B14R1.33 Cc1ccc(nc1)CN(C)CCC#N 269982a_200000717808_100011215226 [1,1,0,0,0,0|2,0,0]=4 4151 B14R1.33 Cc1ccc(nc1)CN(C)CCC#N 270004a_100000184479_100000050478 [1,1,0,0,0,0|2,0,0]=4 4152 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100011215226 [1,1,0,0,0,0|1,0,1]=4 4153 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)Br 1458a_100011934036_100000189115 [1,1,0,0,0,0|1,0,1]=4 4154 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100011215226 [1,1,0,0,0,0|1,0,1]=4 4155 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)Cl 1458a_100011934036_100000694040 [1,1,0,0,0,0|1,0,1]=4 4156 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100011215226 [1,1,0,0,0,0|1,0,1]=4 4157 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)F 1458a_100011934036_100000198546 [1,1,0,0,0,0|1,0,1]=4 4158 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100011215226 [1,1,0,0,0,0|1,0,1]=4 4159 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)I 1458a_100011934036_100000189116 [1,1,0,0,0,0|1,0,1]=4 4160 B14R1.33 N#CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011215226 [1,1,0,0,0,0|1,0,1]=4 4161 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Br 527a_100000734998_100000198978 [1,1,0,0,0,0|1,0,1]=4 4162 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Cl 527a_100000734998_100000211027 [1,1,0,0,0,0|1,0,1]=4 4163 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)F 1626a_100000734998_100000210951 [1,1,0,0,0,0|1,0,1]=4 4164 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)F 527a_100000734998_100000210951 [1,1,0,0,0,0|1,0,1]=4 4165 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)I 1626a_100000734998_100000688869 [1,1,0,0,0,0|1,0,1]=4 4166 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)I 527a_100000734998_100000688869 [1,1,0,0,0,0|1,0,1]=4 4167 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)O 1626a_100000734998_100000198540 [1,1,0,0,0,0|1,0,1]=4 4168 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)O 527a_100000734998_100000198540 [1,1,0,0,0,0|1,0,1]=4 4169 B14R1.34 C#CCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000688953 [1,1,0,0,0,0|2,0,0]=4 4170 B14R1.34 C#CCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000730999 [1,1,0,0,0,0|2,0,0]=4 4171 B14R1.34 C#CCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000688953 [1,1,0,0,0,0|2,0,0]=4 4172 B14R1.34 C#CCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000730999 [1,1,0,0,0,0|2,0,0]=4 4173 B14R1.34 C#CCCN(C)Cc1cccc(c1)C 34a_102495364743_100000688953 [1,1,0,0,0,0|2,0,0]=4 4174 B14R1.34 C#CCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000688953 [1,1,0,0,0,0|2,0,0]=4 4175 B14R1.34 C#CCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000730999 [1,1,0,0,0,0|2,0,0]=4 4176 B14R1.34 C#CCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000688953 [1,1,0,0,0,0|2,0,0]=4 4177 B14R1.34 C#CCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000730999 [1,1,0,0,0,0|2,0,0]=4 4178 B14R1.34 C#CCCN(C)Cc1cccc(c1)F 34a_100000184398_100000688953 [1,1,0,0,0,0|2,0,0]=4 4179 B14R1.34 C#CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000688953 [1,1,0,0,0,0|2,0,0]=4 4180 B14R1.34 C#CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000730999 [1,1,0,0,0,0|2,0,0]=4 4181 B14R1.34 C=CCNC(C)Cc1cccc(c1)Br 270004a_100020586998_100000689217 [1,1,0,0,0,0|0,0,2]=4 4182 B14R1.34 C=CCNC(C)Cc1cccc(c1)Cl 270004a_100020586998_100000727212 [1,1,0,0,0,0|0,0,2]=4 4183 B14R1.34 C=CCNC(C)Cc1cccc(c1)F 270004a_100020586998_100000687711 [1,1,0,0,0,0|0,0,2]=4 4184 B14R1.34 CC(Cc1cccc(c1)Br)NCCO 270004a_100000210304_100000689217 [1,1,0,0,0,0|1,0,0]=3 4185 B14R1.34 CC(Cc1cccc(c1)Cl)NCCO 270004a_100000210304_100000727212 [1,1,0,0,0,0|1,0,0]=3 4186 B14R1.34 CC(Cc1cccc(c1)F)NCCO 270004a_100000210304_100000687711 [1,1,0,0,0,0|1,0,0]=3 4187 B14R1.34 CCCNC(C)Cc1cc(ccn1)C 270004a_100020643023_200015184229 [1,1,0,0,0,0|1,0,1]=4 4188 B14R1.34 CCCNC(C)Cc1cccc(c1)Br 270004a_100020643023_100000689217 [1,1,0,0,0,0|0,0,1]=3 4189 B14R1.34 CCCNC(C)Cc1cccc(c1)Cl 270004a_100020643023_100000727212 [1,1,0,0,0,0|0,0,1]=3 4190 B14R1.34 CCCNC(C)Cc1cccc(c1)F 270004a_100020643023_100000687711 [1,1,0,0,0,0|0,0,1]=3 4191 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Br 2230a_100000184479_100010173614 [1,1,0,0,0,0|2,0,0]=4 4192 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Br 270004a_100000184479_100009818557 [1,1,0,0,0,0|2,0,0]=4 4193 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Cl 2230a_100000184479_100016988179 [1,1,0,0,0,0|2,0,0]=4 4194 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Cl 2230a_100102954512_100011215226 [1,1,0,0,0,0|2,0,0]=4 4195 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Cl 269982a_100102954512_100011215226 [1,1,0,0,0,0|2,0,0]=4 4196 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Cl 270004a_100000184479_100011998288 [1,1,0,0,0,0|2,0,0]=4 4197 B14R1.34 CN(CCC#N)Cc1cccc(c1)Br 2230a_100000184479_100000698116 [1,1,0,0,0,0|1,0,0]=3 4198 B14R1.34 CN(CCC#N)Cc1cccc(c1)Br 2230a_100000187585_100011215226 [1,1,0,0,0,0|1,0,0]=3 4199 B14R1.34 CN(CCC#N)Cc1cccc(c1)Br 269982a_100000187585_100011215226 [1,1,0,0,0,0|1,0,0]=3 4200 B14R1.34 CN(CCC#N)Cc1cccc(c1)Br 270004a_100000184479_100000210085 [1,1,0,0,0,0|1,0,0]=3 4201 B14R1.34 CN(CCC#N)Cc1cccc(c1)Cl 2230a_100000184479_100000181238 [1,1,0,0,0,0|1,0,0]=3 4202 B14R1.34 CN(CCC#N)Cc1cccc(c1)Cl 2230a_100020629429_100011215226 [1,1,0,0,0,0|1,0,0]=3 4203 B14R1.34 CN(CCC#N)Cc1cccc(c1)Cl 269982a_100020629429_100011215226 [1,1,0,0,0,0|1,0,0]=3 4204 B14R1.34 CN(CCC#N)Cc1cccc(c1)Cl 270004a_100000184479_100000210801 [1,1,0,0,0,0|1,0,0]=3 4205 B14R1.34 CN(CCC#N)Cc1cccc(c1)F 2230a_100000184398_100011215226 [1,1,0,0,0,0|1,0,0]=3 4206 B14R1.34 CN(CCC#N)Cc1cccc(c1)F 2230a_100000184479_100000230114 [1,1,0,0,0,0|1,0,0]=3 4207 B14R1.34 CN(CCC#N)Cc1cccc(c1)F 269982a_100000184398_100011215226 [1,1,0,0,0,0|1,0,0]=3 4208 B14R1.34 CN(CCC#N)Cc1cccc(c1)F 270004a_100000184479_100000210812 [1,1,0,0,0,0|1,0,0]=3 4209 B14R1.34 CN(CCC#N)Cc1cccc(c1)I 2230a_100000184479_100011218688 [1,1,0,0,0,0|1,0,0]=3 4210 B14R1.34 CN(CCC#N)Cc1cccc(c1)I 270004a_100000184479_100000014684 [1,1,0,0,0,0|1,0,0]=3 4211 B14R1.34 CN(CCC#N)Cc1cccc(c1)O 2230a_100000184479_100011660834 [1,1,0,0,0,0|1,0,0]=3 4212 B14R1.34 CN(CCC#N)Cc1cccc(c1)O 2230a_100000207540_100011215226 [1,1,0,0,0,0|1,0,0]=3 4213 B14R1.34 CN(CCC#N)Cc1cccc(c1)O 269982a_100000207540_100011215226 [1,1,0,0,0,0|1,0,0]=3 4214 B14R1.34 CN(CCC#N)Cc1cccc(c1)O 270004a_100000184479_100000188321 [1,1,0,0,0,0|1,0,0]=3 4215 B14R1.34 CN(CCC#N)Cc1cccc(n1)Br 2230a_100000184479_100009889011 [1,1,0,0,0,0|2,0,0]=4 4216 B14R1.34 CN(CCC#N)Cc1cccc(n1)Br 2230a_106354212997_100011215226 [1,1,0,0,0,0|2,0,0]=4 4217 B14R1.34 CN(CCC#N)Cc1cccc(n1)Br 269982a_106354212997_100011215226 [1,1,0,0,0,0|2,0,0]=4 4218 B14R1.34 CN(CCC#N)Cc1cccc(n1)Br 270004a_100000184479_100000688028 [1,1,0,0,0,0|2,0,0]=4 4219 B14R1.34 CN(CCC#N)Cc1cccc(n1)Cl 2230a_100000184479_100000086093 [1,1,0,0,0,0|2,0,0]=4 4220 B14R1.34 CN(CCC#N)Cc1cccc(n1)Cl 270004a_100000184479_100011361687 [1,1,0,0,0,0|2,0,0]=4 4221 B14R1.34 CN(CCC#N)Cc1cccc(n1)F 2230a_100000184479_100009819644 [1,1,0,0,0,0|2,0,0]=4 4222 B14R1.34 CN(CCC#N)Cc1cccc(n1)F 270004a_100000184479_100000050434 [1,1,0,0,0,0|2,0,0]=4 4223 B14R1.34 CN(CCC#N)Cc1ccnc(c1)Br 2230a_100000184479_100010243470 [1,1,0,0,0,0|2,0,0]=4 4224 B14R1.34 CN(CCC#N)Cc1ccnc(c1)Br 270004a_100000184479_100009814634 [1,1,0,0,0,0|2,0,0]=4 4225 B14R1.34 CN(CCC#N)Cc1ccnc(c1)Cl 2230a_100000184479_100000764220 [1,1,0,0,0,0|2,0,0]=4 4226 B14R1.34 CN(CCC#N)Cc1ccnc(c1)Cl 270004a_100000184479_100011290808 [1,1,0,0,0,0|2,0,0]=4 4227 B14R1.34 CN(CCC#N)Cc1ccnc(c1)F 270004a_100000184479_100000068331 [1,1,0,0,0,0|2,0,0]=4 4228 B14R1.34 CN(CCC#N)Cc1cncc(c1)Br 2230a_100000184479_100000738771 [1,1,0,0,0,0|2,0,0]=4 4229 B14R1.34 CN(CCC#N)Cc1cncc(c1)Br 2230a_103549770560_100011215226 [1,1,0,0,0,0|2,0,0]=4 4230 B14R1.34 CN(CCC#N)Cc1cncc(c1)Br 269982a_103549770560_100011215226 [1,1,0,0,0,0|2,0,0]=4 4231 B14R1.34 CN(CCC#N)Cc1cncc(c1)Br 270004a_100000184479_100000687066 [1,1,0,0,0,0|2,0,0]=4 4232 B14R1.34 CN(CCC#N)Cc1cncc(c1)Cl 2230a_100000184479_100016992070 [1,1,0,0,0,0|2,0,0]=4 4233 B14R1.34 CN(CCC#N)Cc1cncc(c1)Cl 270004a_100000184479_100000088910 [1,1,0,0,0,0|2,0,0]=4 4234 B14R1.34 CN(CCC#N)Cc1cncc(c1)F 2230a_100000184479_100000725299 [1,1,0,0,0,0|2,0,0]=4 4235 B14R1.34 CN(CCC#N)Cc1cncc(c1)F 270004a_100000184479_100011361476 [1,1,0,0,0,0|2,0,0]=4 4236 B14R1.34 CN(CCC#N)Cc1cncc(c1)O 270004a_100000184479_100012187055 [1,1,0,0,0,0|2,0,0]=4 4237 B14R1.34 CN(CSC#N)Cc1cccc(c1)Br 269982a_100000187585_100000211825 [1,1,0,0,0,0|2,0,0]=4 4238 B14R1.34 CN(CSC#N)Cc1cccc(c1)Cl 269982a_100020629429_100000211825 [1,1,0,0,0,0|2,0,0]=4 4239 B14R1.34 CN(CSC#N)Cc1cccc(c1)F 269982a_100000184398_100000211825 [1,1,0,0,0,0|2,0,0]=4 4240 B14R1.34 CN(CSC#N)Cc1cccc(c1)O 269982a_100000207540_100000211825 [1,1,0,0,0,0|2,0,0]=4 4241 B14R1.34 Cc1cc(ccn1)CN(C)CCC#N 2230a_100000184479_200020672517 [1,1,0,0,0,0|2,0,0]=4 4242 B14R1.34 Cc1cc(ccn1)CN(C)CCC#N 270004a_100000184479_100011361630 [1,1,0,0,0,0|2,0,0]=4 4243 B14R1.34 Cc1cccc(c1)CC(=O)CCC#N 1458a_100011206899_100011215226 [1,1,0,0,0,0|1,0,1]=4 4244 B14R1.34 Cc1cccc(c1)CC(=O)CCC#N 1458a_100011934036_100000211840 [1,1,0,0,0,0|1,0,1]=4 4245 B14R1.34 Cc1cccc(c1)CC(=O)NCC#N 1626a_100000734998_100011206899 [1,1,0,0,0,0|1,0,1]=4 4246 B14R1.34 Cc1cccc(c1)CC(=O)NCC#N 527a_100000734998_100011206899 [1,1,0,0,0,0|1,0,1]=4 4247 B14R1.34 Cc1cccc(c1)CN(C)CCC#N 2230a_100000184479_100000211840 [1,1,0,0,0,0|1,0,0]=3 4248 B14R1.34 Cc1cccc(c1)CN(C)CCC#N 2230a_102495364743_100011215226 [1,1,0,0,0,0|1,0,0]=3 4249 B14R1.34 Cc1cccc(c1)CN(C)CCC#N 269982a_102495364743_100011215226 [1,1,0,0,0,0|1,0,0]=3 4250 B14R1.34 Cc1cccc(c1)CN(C)CCC#N 270004a_100000184479_100000211157 [1,1,0,0,0,0|1,0,0]=3 4251 B14R1.34 Cc1cccc(c1)CN(C)CSC#N 269982a_102495364743_100000211825 [1,1,0,0,0,0|2,0,0]=4 4252 B14R1.34 Cc1cccc(n1)CN(C)CCC#N 2230a_100000184479_100000757606 [1,1,0,0,0,0|2,0,0]=4 4253 B14R1.34 Cc1cccc(n1)CN(C)CCC#N 2230a_100000687132_100011215226 [1,1,0,0,0,0|2,0,0]=4 4254 B14R1.34 Cc1cccc(n1)CN(C)CCC#N 269982a_100000687132_100011215226 [1,1,0,0,0,0|2,0,0]=4 4255 B14R1.34 Cc1cccc(n1)CN(C)CCC#N 270004a_100000184479_100011215050 [1,1,0,0,0,0|2,0,0]=4 4256 B14R1.34 Cc1ccnc(c1)CC(C)NCCO 270004a_100000210304_200015184229 [1,1,0,0,0,0|2,0,0]=4 4257 B14R1.34 Cc1ccnc(c1)CN(C)CCC#N 2230a_100000184479_100000718516 [1,1,0,0,0,0|2,0,0]=4 4258 B14R1.34 Cc1ccnc(c1)CN(C)CCC#N 2230a_106354213154_100011215226 [1,1,0,0,0,0|2,0,0]=4 4259 B14R1.34 Cc1ccnc(c1)CN(C)CCC#N 269982a_106354213154_100011215226 [1,1,0,0,0,0|2,0,0]=4 4260 B14R1.34 Cc1ccnc(c1)CN(C)CCC#N 270004a_100000184479_100011361488 [1,1,0,0,0,0|2,0,0]=4 4261 B14R1.34 Cc1cncc(c1)CN(C)CCC#N 2230a_100000184479_100000716715 [1,1,0,0,0,0|2,0,0]=4 4262 B14R1.34 Cc1cncc(c1)CN(C)CCC#N 270004a_100000184479_100011998712 [1,1,0,0,0,0|2,0,0]=4 4263 B14R1.34 N#CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100011215226 [1,1,0,0,0,0|1,0,1]=4 4264 B14R1.34 N#CCCC(=O)Cc1cccc(c1)Br 1458a_100011934036_100000211773 [1,1,0,0,0,0|1,0,1]=4 4265 B14R1.34 N#CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100011215226 [1,1,0,0,0,0|1,0,1]=4 4266 B14R1.34 N#CCCC(=O)Cc1cccc(c1)Cl 1458a_100011934036_100000181238 [1,1,0,0,0,0|1,0,1]=4 4267 B14R1.34 N#CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100011215226 [1,1,0,0,0,0|1,0,1]=4 4268 B14R1.34 N#CCCC(=O)Cc1cccc(c1)F 1458a_100011934036_100000230114 [1,1,0,0,0,0|1,0,1]=4 4269 B14R1.34 N#CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100011215226 [1,1,0,0,0,0|1,0,1]=4 4270 B14R1.34 N#CCCC(=O)Cc1cccc(c1)I 1458a_100011934036_100011218688 [1,1,0,0,0,0|1,0,1]=4 4271 B14R1.34 N#CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100011215226 [1,1,0,0,0,0|1,0,1]=4 4272 B14R1.34 N#CCCC(=O)Cc1cccc(c1)O 1458a_100011934036_100011660834 [1,1,0,0,0,0|1,0,1]=4 4273 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Br 527a_100000734998_100000747190 [1,1,0,0,0,0|1,0,1]=4 4274 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Cl 1626a_100000734998_100000749307 [1,1,0,0,0,0|1,0,1]=4 4275 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Cl 527a_100000734998_100000749307 [1,1,0,0,0,0|1,0,1]=4 4276 B14R1.34 N#CCNC(=O)Cc1cccc(c1)F 1626a_100000734998_100000211661 [1,1,0,0,0,0|1,0,1]=4 4277 B14R1.34 N#CCNC(=O)Cc1cccc(c1)F 527a_100000734998_100000211661 [1,1,0,0,0,0|1,0,1]=4 4278 B14R1.34 N#CCNC(=O)Cc1cccc(c1)I 1626a_100000734998_100000238430 [1,1,0,0,0,0|1,0,1]=4 4279 B14R1.34 N#CCNC(=O)Cc1cccc(c1)I 527a_100000734998_100000238430 [1,1,0,0,0,0|1,0,1]=4 4280 B14R1.34 N#CCNC(=O)Cc1cccc(c1)O 527a_100000734998_100000745134 [1,1,0,0,0,0|1,0,1]=4 4281 B14R1.60 C#CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000184674 [1,1,0,0,0,0|1,0,1]=4 4282 B14R1.60 C#CCC(=O)C(C)Cc1ccccc1 1458a_100011220946_200011218536 [1,1,0,0,0,0|1,0,1]=4 4283 B14R1.60 C#CCN(C)C(C)C[n+]1ccccc1 270004a_100000225692_100000034229 [1,1,0,0,0,0|1,0,1]=4 4284 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 2230a_100000705463_200000210301 [1,1,0,0,0,0|0,0,1]=3 4285 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 269982a_100000705463_200000210301 [1,1,0,0,0,0|0,0,1]=3 4286 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000225692_200011218536 [1,1,0,0,0,0|0,0,1]=3 4287 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000705463_200000210301 [1,1,0,0,0,0|0,0,1]=3 4288 B14R1.60 C#CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000038162 [1,1,0,0,0,0|1,0,1]=4 4289 B14R1.60 C#CCN(C)C(C)Cc1cccnc1 270004a_100000225692_100015187140 [1,1,0,0,0,0|1,0,1]=4 4290 B14R1.60 C#CCN(C)C(C)Cc1ccncc1 270004a_100000225692_100000238508 [1,1,0,0,0,0|1,0,1]=4 4291 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 2230a_100000705463_200025704644 [1,1,0,0,0,0|0,0,1]=3 4292 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 269982a_100000705463_200025704644 [1,1,0,0,0,0|0,0,1]=3 4293 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 34a_100000705463_200025704644 [1,1,0,0,0,0|0,0,1]=3 4294 B14R1.60 C=CCN(C)C(C)Cc1ccccc1 269982a_100000225617_200011218536 [1,1,0,0,0,0|0,0,2]=4 4295 B14R1.60 CC(CC#N)N(C)Cc1ccccc1 2230a_100000186898_100009813641 [1,1,0,0,0,0|1,0,0]=3 4296 B14R1.60 CC(CC#N)N(C)Cc1ccccc1 269982a_100000186898_100009813641 [1,1,0,0,0,0|1,0,0]=3 4297 B14R1.60 CC(CC#N)N(C)Cc1ccccn1 2230a_100000207498_100009813641 [1,1,0,0,0,0|2,0,0]=4 4298 B14R1.60 CC(CC#N)N(C)Cc1ccccn1 269982a_100000207498_100009813641 [1,1,0,0,0,0|2,0,0]=4 4299 B14R1.60 CC(CC#N)N(C)Cc1cccnc1 2230a_100000184577_100009813641 [1,1,0,0,0,0|2,0,0]=4 4300 B14R1.60 CC(CC#N)N(C)Cc1cccnc1 269982a_100000184577_100009813641 [1,1,0,0,0,0|2,0,0]=4 4301 B14R1.60 CC(CC#N)N(C)Cc1ccncc1 2230a_100000187231_100009813641 [1,1,0,0,0,0|2,0,0]=4 4302 B14R1.60 CC(CC#N)N(C)Cc1ccncc1 269982a_100000187231_100009813641 [1,1,0,0,0,0|2,0,0]=4 4303 B14R1.60 CC(C[n+]1ccccc1)N(C)CCO 270004a_100000210263_100000034229 [1,1,0,0,0,0|2,0,0]=4 4304 B14R1.60 CC(Cc1ccccc1)C(=O)CC#N 1458a_100000754839_100011214920 [1,1,0,0,0,0|0,0,1]=3 4305 B14R1.60 CC(Cc1ccccc1)C(=O)CC#N 1458a_100051588842_200011218536 [1,1,0,0,0,0|0,0,1]=3 4306 B14R1.60 CC(Cc1ccccc1)C(=O)CCF 1458a_100000754839_100011217306 [1,1,0,0,0,0|2,0,0]=4 4307 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [1,1,0,0,0,0|2,0,0]=4 4308 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [1,1,0,0,0,0|2,0,0]=4 4309 B14R1.60 CC(Cc1ccccc1)N(C)CCO 269982a_100000210263_200011218536 [1,1,0,0,0,0|1,0,0]=3 4310 B14R1.60 CC(Cc1ccccn1)C(=O)CC#N 1458a_100012000792_100011214920 [1,1,0,0,0,0|1,0,1]=4 4311 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 2230a_200011351704_100011215382 [1,1,0,0,0,0|1,0,0]=3 4312 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 269982a_200011351704_100011214920 [1,1,0,0,0,0|1,0,0]=3 4313 B14R1.60 CC(Cc1ccccn1)N(C)CCF 2230a_200011351704_100011217306 [1,1,0,0,0,0|2,0,0]=4 4314 B14R1.60 CC(Cc1ccccn1)N(C)CCF 269982a_200011351704_100011217306 [1,1,0,0,0,0|2,0,0]=4 4315 B14R1.60 CC(Cc1ccccn1)N(C)CCO 2230a_200011351704_100000211926 [1,1,0,0,0,0|2,0,0]=4 4316 B14R1.60 CC(Cc1ccccn1)N(C)CCO 269982a_200011351704_100000211926 [1,1,0,0,0,0|2,0,0]=4 4317 B14R1.60 CC(Cc1cccnc1)N(C)CCO 270004a_100000210263_100015187140 [1,1,0,0,0,0|2,0,0]=4 4318 B14R1.60 CC(Cc1ccncc1)N(C)CCO 270004a_100000210263_100000238508 [1,1,0,0,0,0|2,0,0]=4 4319 B14R1.60 CC(Oc1ccccc1)C(=O)CC#N 1458a_100000188414_100011214920 [1,1,0,0,0,0|1,0,1]=4 4320 B14R1.60 CC(Sc1ccccc1)C(=O)CC#N 1458a_100000199063_100011214920 [1,1,0,0,0,0|1,0,1]=4 4321 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [1,1,0,0,0,0|1,0,1]=4 4322 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [1,1,0,0,0,0|1,0,1]=4 4323 B14R1.60 CCCN(C)C(C)C[n+]1ccccc1 270004a_100000747261_100000034229 [1,1,0,0,0,0|1,0,1]=4 4324 B14R1.60 CCCN(C)C(C)Cc1ccccc1 269982a_100000747261_200011218536 [1,1,0,0,0,0|0,0,1]=3 4325 B14R1.60 CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210303 [1,1,0,0,0,0|1,0,1]=4 4326 B14R1.60 CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210303 [1,1,0,0,0,0|1,0,1]=4 4327 B14R1.60 CCCN(C)C(C)Cc1cccnc1 270004a_100000747261_100015187140 [1,1,0,0,0,0|1,0,1]=4 4328 B14R1.60 CCCN(C)C(C)Cc1ccncc1 270004a_100000747261_100000238508 [1,1,0,0,0,0|1,0,1]=4 4329 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N 1626a_100000186898_100051588842 [1,1,0,0,0,0|1,0,1]=4 4330 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N 240690a_100000186898_100051588842 [1,1,0,0,0,0|1,0,1]=4 4331 B14R1.60 N#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011214920 [1,1,0,0,0,0|1,0,1]=4 4332 B14R1.166 C#CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000688953 [1,1,0,0,0,0|2,0,0]=4 4333 B14R1.166 C#CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000730999 [1,1,0,0,0,0|2,0,0]=4 4334 B14R1.166 C#CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000184674 [1,1,0,0,0,0|1,0,1]=4 4335 B14R1.166 CC(C(=O)CCC#N)c1ccccc1 1458a_100011934036_100000230085 [1,1,0,0,0,0|1,0,1]=4 4336 B14R1.166 CC(NCCO)C(=O)c1ccccc1 2230a_100016997473_100000239700 [1,1,0,0,0,0|1,0,1]=4 4337 B14R1.166 CC(SCC#N)C(=O)c1ccccc1 62a_100000239700_100011215382 [1,1,0,0,0,0|1,0,1]=4 4338 B14R1.166 CC(SCC#N)C(=O)c1ccccc1 62a_100011215382_100000239700 [1,1,0,0,0,0|1,0,1]=4 4339 B14R1.166 CC(c1ccccc1)N(C)CCC#N 2230a_100000184479_100000230085 [1,1,0,0,0,0|1,0,0]=3 4340 B14R1.166 CC(c1ccccc1)N(C)CCC#N 2230a_100000195388_100011215226 [1,1,0,0,0,0|1,0,0]=3 4341 B14R1.166 CC(c1ccccc1)N(C)CCC#N 269982a_100000195388_100011215226 [1,1,0,0,0,0|1,0,0]=3 4342 B14R1.166 CC(c1ccccc1)N(C)CSC#N 269982a_100000195388_100000211825 [1,1,0,0,0,0|2,0,0]=4 4343 B14R1.166 CC(c1ccccn1)N(C)CCC#N 2230a_100000231138_100011215226 [1,1,0,0,0,0|2,0,0]=4 4344 B14R1.166 CC(c1ccccn1)N(C)CCC#N 269982a_100000231138_100011215226 [1,1,0,0,0,0|2,0,0]=4 4345 B14R1.166 CC(c1cccnc1)N(C)CCC#N 2230a_100000232774_100011215226 [1,1,0,0,0,0|2,0,0]=4 4346 B14R1.166 CC(c1cccnc1)N(C)CCC#N 269982a_100000232774_100011215226 [1,1,0,0,0,0|2,0,0]=4 4347 B14R1.166 CC(c1ccncc1)N(C)CCC#N 2230a_100000231139_100011215226 [1,1,0,0,0,0|2,0,0]=4 4348 B14R1.166 CC(c1ccncc1)N(C)CCC#N 269982a_100000231139_100011215226 [1,1,0,0,0,0|2,0,0]=4 4349 B14R1.166 CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210303 [1,1,0,0,0,0|1,0,1]=4 4350 B14R1.166 CN(CCC#N)C(=O)c1ccccc1 11a_100000184479_100000185807 [1,1,0,0,0,0|1,0,1]=4 4351 B14R1.166 CN(CCC#N)C(=O)c1ccccc1 1626a_100000184479_100000185807 [1,1,0,0,0,0|1,0,1]=4 4352 B14R1.166 CN(CCC#N)C(=O)c1ccccc1 240690a_100000184479_100000185807 [1,1,0,0,0,0|1,0,1]=4 4353 B14R1.166 CN(CCC#N)C(=O)c1ccccc1 527a_100000184479_100000185807 [1,1,0,0,0,0|1,0,1]=4 4354 B14R1.166 C[C@H](C(=O)CCC#N)c1ccccc1 1458a_100000751047_100011215226 [1,1,0,0,0,0|1,0,1]=4 4355 B14R1.166 C[C@H](C(=O)NCC#N)c1ccccc1 1626a_100000734998_100000751047 [1,1,0,0,0,0|1,0,1]=4 4356 B14R1.166 C[C@H](C(=O)NCC#N)c1ccccc1 527a_100000734998_100000751047 [1,1,0,0,0,0|1,0,1]=4 4357 B14R1.166 C[C@H](OCCF)[C@@H](N)c1ccccc1 34a_100134616770_100011217306 [1,1,0,0,0,0|2,0,0]=4 4358 B14R1.166 C[C@H](OCCO)[C@@H](N)c1ccccc1 34a_100134616770_100000211926 [1,1,0,0,0,0|2,0,0]=4 4359 B14R1.166 N#CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100011215226 [1,1,0,0,0,0|1,0,1]=4 4360 B14R1.166 N#CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100011215226 [1,1,0,0,0,0|1,0,1]=4 4361 B14R1.166 N#CCNC(=O)C(F)c1ccccc1 1626a_100000734998_100000698975 [1,1,0,0,0,0|1,0,1]=4 4362 B14R1.166 N#CCNC(=O)C(F)c1ccccc1 527a_100000734998_100000698975 [1,1,0,0,0,0|1,0,1]=4 4363 B14R1.423 CC(Br)COC(C)Cc1ccccc1 34a_100012180447_200011218536 [1,1,0,0,0,0|1,0,1]=4 4364 B14R1.423 CC(C)CNC(C)C[n+]1ccccc1 270004a_100000210953_100000034229 [1,1,0,0,0,0|1,0,1]=4 4365 B14R1.423 CC(C)CNC(C)Cc1ccccc1 34a_100000210953_200011218536 [1,1,0,0,0,0|0,0,1]=3 4366 B14R1.423 CC(C)CNC(C)Cc1ccccn1 2230a_100000238496_100000210760 [1,1,0,0,0,0|1,0,1]=4 4367 B14R1.423 CC(C)CNC(C)Cc1ccccn1 270004a_100000238496_100000210432 [1,1,0,0,0,0|1,0,1]=4 4368 B14R1.423 CC(C)CNC(C)Cc1cccnc1 2230a_100011207255_100000210760 [1,1,0,0,0,0|1,0,1]=4 4369 B14R1.423 CC(C)CNC(C)Cc1cccnc1 270004a_100000210953_100015187140 [1,1,0,0,0,0|1,0,1]=4 4370 B14R1.423 CC(C)CNC(C)Cc1cccnc1 270004a_100011207255_100000210432 [1,1,0,0,0,0|1,0,1]=4 4371 B14R1.423 CC(C)CNC(C)Cc1ccncc1 270004a_100000210953_100000238508 [1,1,0,0,0,0|1,0,1]=4 4372 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000210257_200011218536 [1,1,0,0,0,0|1,0,1]=4 4373 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000748627_100000210624 [1,1,0,0,0,0|1,0,1]=4 4374 B14R1.423 CC(C)COC(C)Cc1ccccc1 7a_100000748627_100000210760 [1,1,0,0,0,0|1,0,1]=4 4375 B14R1.423 CC(C)CSC(C)Cc1ccccc1 62a_100000210624_200011218536 [1,1,0,0,0,0|1,0,1]=4 4376 B14R1.423 CC(C)CSC(C)Cc1ccccc1 62a_200011218536_100000210760 [1,1,0,0,0,0|1,0,1]=4 4377 B14R1.423 CC(C[n+]1ccccc1)NCC(F)F 270004a_100000765723_100000034229 [1,1,0,0,0,0|2,0,0]=4 4378 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [1,1,0,0,0,0|1,0,1]=4 4379 B14R1.423 CC(Cc1ccccc1)NCC(F)F 34a_100000765723_200011218536 [1,1,0,0,0,0|1,0,0]=3 4380 B14R1.423 CC(Cc1ccccc1)OCC(F)F 34a_100000743014_200011218536 [1,1,0,0,0,0|2,0,0]=4 4381 B14R1.423 CC(Cc1ccccc1)OCC(F)F 34a_100000748627_100011934356 [1,1,0,0,0,0|2,0,0]=4 4382 B14R1.423 CC(Cc1ccccc1)OCC(F)F 7a_100000748627_100011934356 [1,1,0,0,0,0|2,0,0]=4 4383 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)Cl 34a_100016084084_200011218536 [1,1,0,0,0,0|1,0,1]=4 4384 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)N 34a_100000737577_200011218536 [1,1,0,0,0,0|1,0,1]=4 4385 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 34a_100000748627_100009817552 [1,1,0,0,0,0|1,0,1]=4 4386 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 7a_100000748627_100009817552 [1,1,0,0,0,0|1,0,1]=4 4387 B14R1.423 CC(Cc1ccccc1)SCC(F)F 62a_100011934356_200011218536 [1,1,0,0,0,0|2,0,0]=4 4388 B14R1.423 CC(Cc1ccccc1)SCC(F)F 62a_200011218536_100011934356 [1,1,0,0,0,0|2,0,0]=4 4389 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_100009817552_200011218536 [1,1,0,0,0,0|1,0,1]=4 4390 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_200011218536_100009817552 [1,1,0,0,0,0|1,0,1]=4 4391 B14R1.423 CC(Cc1ccccn1)NCC(F)F 2230a_100000238496_100011934356 [1,1,0,0,0,0|2,0,0]=4 4392 B14R1.423 CC(Cc1ccccn1)NC[C@@H](C)O 2230a_100000238496_100009817552 [1,1,0,0,0,0|1,0,1]=4 4393 B14R1.423 CC(Cc1cccnc1)NCC(F)F 2230a_100011207255_100011934356 [1,1,0,0,0,0|2,0,0]=4 4394 B14R1.423 CC(Cc1cccnc1)NCC(F)F 270004a_100000765723_100015187140 [1,1,0,0,0,0|2,0,0]=4 4395 B14R1.423 CC(Cc1cccnc1)NC[C@@H](C)O 2230a_100011207255_100009817552 [1,1,0,0,0,0|1,0,1]=4 4396 B14R1.423 CC(Cc1ccncc1)NCC(F)F 270004a_100000765723_100000238508 [1,1,0,0,0,0|2,0,0]=4 4397 B14R1.423 CC(F)COC(C)Cc1ccccc1 34a_100015925927_200011218536 [1,1,0,0,0,0|1,0,1]=4 4398 B14R1.423 CC(O)CNC(C)C[n+]1ccccc1 270004a_100000210904_100000034229 [1,1,0,0,0,0|1,0,1]=4 4399 B14R1.423 CC(O)CNC(C)Cc1ccccc1 34a_100000210904_200011218536 [1,1,0,0,0,0|0,0,1]=3 4400 B14R1.423 CC(O)CNC(C)Cc1ccccn1 2230a_100000238496_100011218427 [1,1,0,0,0,0|1,0,1]=4 4401 B14R1.423 CC(O)CNC(C)Cc1cccnc1 2230a_100011207255_100011218427 [1,1,0,0,0,0|1,0,1]=4 4402 B14R1.423 CC(O)CNC(C)Cc1cccnc1 270004a_100000210904_100015187140 [1,1,0,0,0,0|1,0,1]=4 4403 B14R1.423 CC(O)CNC(C)Cc1ccncc1 270004a_100000210904_100000238508 [1,1,0,0,0,0|1,0,1]=4 4404 B14R1.423 CC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218427 [1,1,0,0,0,0|1,0,1]=4 4405 B14R1.423 CC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218427 [1,1,0,0,0,0|1,0,1]=4 4406 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_100011218427_200011218536 [1,1,0,0,0,0|1,0,1]=4 4407 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_200011218536_100011218427 [1,1,0,0,0,0|1,0,1]=4 4408 B14R1.467 C#CC(Cc1ccccc1)OCC#N 7a_100000685211_100011215382 [1,1,0,0,0,0|1,0,1]=4 4409 B14R1.467 C#CCCN(CC)Cc1ccccc1 2230a_100000186914_100000688953 [1,1,0,0,0,0|2,0,0]=4 4410 B14R1.467 C#CCCN(CC)Cc1ccccc1 269982a_100000186914_100000730999 [1,1,0,0,0,0|2,0,0]=4 4411 B14R1.467 C#CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000038162 [1,1,0,0,0,0|0,0,2]=4 4412 B14R1.467 C#CCNC(CO)Cc1ccccc1 2230a_100000739027_100000038162 [1,1,0,0,0,0|0,0,1]=3 4413 B14R1.467 C#CCNC(CO)Cc1cccnc1 2230a_100000717814_100000038162 [1,1,0,0,0,0|1,0,1]=4 4414 B14R1.467 C#CCNC(CO)Cc1ccncc1 2230a_100000717866_100000038162 [1,1,0,0,0,0|1,0,1]=4 4415 B14R1.467 C#CCOC(CC)Cc1ccccc1 7a_100000760156_100000038162 [1,1,0,0,0,0|1,0,1]=4 4416 B14R1.467 C#CCOC(CN)Cc1ccccc1 34a_100000752270_100000184674 [1,1,0,0,0,0|1,0,1]=4 4417 B14R1.467 C#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000038162 [1,1,0,0,0,0|1,0,1]=4 4418 B14R1.467 C=CCNC(CC)Cc1ccccc1 270004a_100020586998_100000212045 [1,1,0,0,0,0|0,0,2]=4 4419 B14R1.467 C=CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210623 [1,1,0,0,0,0|0,0,2]=4 4420 B14R1.467 CCC(Cc1ccccc1)NCCO 270004a_100000210304_100000212045 [1,1,0,0,0,0|1,0,0]=3 4421 B14R1.467 CCC(Cc1ccccc1)OCC#N 7a_100000760156_100011215382 [1,1,0,0,0,0|1,0,0]=3 4422 B14R1.467 CCC(Cc1ccccc1)OCCF 7a_100000760156_100011217306 [1,1,0,0,0,0|2,0,0]=4 4423 B14R1.467 CCC(Cc1ccccc1)OCCO 7a_100000760156_100000211926 [1,1,0,0,0,0|2,0,0]=4 4424 B14R1.467 CCCCC(Cc1ccccc1)NC 270004a_106832991635_200011218368 [1,1,0,0,0,0|1,0,1]=4 4425 B14R1.467 CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210303 [1,1,0,0,0,0|0,0,2]=4 4426 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [1,1,0,0,0,0|0,0,1]=3 4427 B14R1.467 CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210303 [1,1,0,0,0,0|0,0,1]=3 4428 B14R1.467 CCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210303 [1,1,0,0,0,0|1,0,1]=4 4429 B14R1.467 CCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210303 [1,1,0,0,0,0|1,0,1]=4 4430 B14R1.467 CCCOC(CC)Cc1ccccc1 7a_100000760156_100000210303 [1,1,0,0,0,0|1,0,1]=4 4431 B14R1.467 CCCOC(CN)Cc1ccccc1 34a_100000752270_100000210303 [1,1,0,0,0,0|1,0,1]=4 4432 B14R1.467 CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210303 [1,1,0,0,0,0|1,0,1]=4 4433 B14R1.467 CCN(CCC#N)Cc1ccccc1 2230a_100000177507_100000210202 [1,1,0,0,0,0|1,0,0]=3 4434 B14R1.467 CCN(CCC#N)Cc1ccccc1 2230a_100000186914_100011215226 [1,1,0,0,0,0|1,0,0]=3 4435 B14R1.467 CCN(CCC#N)Cc1ccccc1 2230a_100000226048_100015291786 [1,1,0,0,0,0|1,0,0]=3 4436 B14R1.467 CCN(CCC#N)Cc1ccccc1 269982a_100000186914_100011215226 [1,1,0,0,0,0|1,0,0]=3 4437 B14R1.467 CCN(CCC#N)Cc1ccccc1 270004a_100000226048_100015611070 [1,1,0,0,0,0|1,0,0]=3 4438 B14R1.467 CCN(CCC#N)Cc1ccccn1 2230a_100000201164_100011215226 [1,1,0,0,0,0|2,0,0]=4 4439 B14R1.467 CCN(CCC#N)Cc1ccccn1 2230a_100000226048_100000721315 [1,1,0,0,0,0|2,0,0]=4 4440 B14R1.467 CCN(CCC#N)Cc1ccccn1 269982a_100000201164_100011215226 [1,1,0,0,0,0|2,0,0]=4 4441 B14R1.467 CCN(CCC#N)Cc1ccccn1 270004a_100000226048_100000209966 [1,1,0,0,0,0|2,0,0]=4 4442 B14R1.467 CCN(CCC#N)Cc1cccnc1 2230a_100000186920_100011215226 [1,1,0,0,0,0|2,0,0]=4 4443 B14R1.467 CCN(CCC#N)Cc1cccnc1 2230a_100000226048_100000741622 [1,1,0,0,0,0|2,0,0]=4 4444 B14R1.467 CCN(CCC#N)Cc1cccnc1 269982a_100000186920_100011215226 [1,1,0,0,0,0|2,0,0]=4 4445 B14R1.467 CCN(CCC#N)Cc1cccnc1 270004a_100000226048_100000209961 [1,1,0,0,0,0|2,0,0]=4 4446 B14R1.467 CCN(CCC#N)Cc1ccncc1 2230a_100000186919_100011215226 [1,1,0,0,0,0|2,0,0]=4 4447 B14R1.467 CCN(CCC#N)Cc1ccncc1 2230a_100000226048_100015193705 [1,1,0,0,0,0|2,0,0]=4 4448 B14R1.467 CCN(CCC#N)Cc1ccncc1 269982a_100000186919_100011215226 [1,1,0,0,0,0|2,0,0]=4 4449 B14R1.467 CCN(CSC#N)Cc1ccccc1 269982a_100000186914_100000211825 [1,1,0,0,0,0|2,0,0]=4 4450 B14R1.467 COCNC(CO)Cc1ccccc1 2230a_100000739027_100000766300 [1,1,0,0,0,0|1,0,1]=4 4451 B14R1.467 CSCNC(CO)Cc1ccccc1 2230a_100000739027_100011218213 [1,1,0,0,0,0|1,0,1]=4 4452 B14R1.467 FCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011217306 [1,1,0,0,0,0|2,0,0]=4 4453 B14R1.467 N#CC(Cc1ccccc1)NCCF 2230a_100000746547_100011217306 [1,1,0,0,0,0|1,0,1]=4 4454 B14R1.467 N#CC(Cc1ccccc1)NCCO 2230a_100000746547_100000211926 [1,1,0,0,0,0|1,0,1]=4 4455 B14R1.467 N#CCNC(C#N)Cc1ccccc1 2230a_100000746547_100011215382 [1,1,0,0,0,0|0,0,1]=3 4456 B14R1.467 N#CCNC(CO)Cc1ccccc1 2230a_100000739027_100011215382 [1,1,0,0,0,0|0,0,0]=2 4457 B14R1.467 N#CCNC(CO)Cc1cccnc1 2230a_100000717814_100011215382 [1,1,0,0,0,0|1,0,0]=3 4458 B14R1.467 N#CCNC(CO)Cc1ccncc1 2230a_100000717866_100011215382 [1,1,0,0,0,0|1,0,0]=3 4459 B14R1.467 N#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215382 [1,1,0,0,0,0|1,0,0]=3 4460 B14R1.467 N#CCSC(C#N)Cc1ccccc1 62a_100000183401_100011215382 [1,1,0,0,0,0|1,0,1]=4 4461 B14R1.467 N#CCSC(C#N)Cc1ccccc1 62a_100011215382_100000183401 [1,1,0,0,0,0|1,0,1]=4 4462 B14R1.467 NCC(Cc1ccccc1)OCCF 34a_100000752270_100011217306 [1,1,0,0,0,0|2,0,0]=4 4463 B14R1.467 NCC(Cc1ccccc1)OCCO 34a_100000752270_100000211926 [1,1,0,0,0,0|2,0,0]=4 4464 B14R1.467 O=CCNC(CO)Cc1ccccc1 2230a_100000739027_200015260668 [1,1,0,0,0,0|1,0,1]=4 4465 B14R1.467 OCC(Cc1ccccc1)NCCF 2230a_100000739027_100011217306 [1,1,0,0,0,0|1,0,0]=3 4466 B14R1.467 OCC(Cc1cccnc1)NCCF 2230a_100000717814_100011217306 [1,1,0,0,0,0|2,0,0]=4 4467 B14R1.467 OCC(Cc1ccncc1)NCCF 2230a_100000717866_100011217306 [1,1,0,0,0,0|2,0,0]=4 4468 B14R1.467 OCCNC(CO)Cc1ccccc1 2230a_100000739027_100000211926 [1,1,0,0,0,0|1,0,0]=3 4469 B14R1.467 OCCNC(CO)Cc1cccnc1 2230a_100000717814_100000211926 [1,1,0,0,0,0|2,0,0]=4 4470 B14R1.467 OCCNC(CO)Cc1ccncc1 2230a_100000717866_100000211926 [1,1,0,0,0,0|2,0,0]=4 4471 B14R1.467 OCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000211926 [1,1,0,0,0,0|2,0,0]=4 4472 B14R1.743 C#CC(C)NC(C)C[n+]1ccccc1 270004a_100000707721_100000034229 [1,1,0,0,0,0|1,0,1]=4 4473 B14R1.743 C#CC(C)NC(C)Cc1ccccc1 34a_100000707721_200011218536 [1,1,0,0,0,0|0,0,1]=3 4474 B14R1.743 C#CC(C)NC(C)Cc1cccnc1 270004a_100000707721_100015187140 [1,1,0,0,0,0|1,0,1]=4 4475 B14R1.743 C#CC(C)NC(C)Cc1ccncc1 270004a_100000707721_100000238508 [1,1,0,0,0,0|1,0,1]=4 4476 B14R1.743 C#CC(C)OC(C)Cc1ccccc1 34a_100000748627_200000035995 [1,1,0,0,0,0|1,0,1]=4 4477 B14R1.743 C#CC(C)SC(C)Cc1ccccc1 62a_200000035995_200011218536 [1,1,0,0,0,0|1,0,1]=4 4478 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 34a_100009815206_200011218536 [1,1,0,0,0,0|1,0,1]=4 4479 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 7a_100009815206_200011218536 [1,1,0,0,0,0|1,0,1]=4 4480 B14R1.743 C=C(C#N)CN(C)Cc1ccccc1 2230a_100000186898_100000694840 [1,1,0,0,0,0|1,0,1]=4 4481 B14R1.743 C=C(C#N)CN(C)Cc1ccccc1 269982a_100000186898_100000694840 [1,1,0,0,0,0|1,0,1]=4 4482 B14R1.743 CC(C#N)NC(C)Cc1ccccn1 2230a_100000238496_100000184139 [1,1,0,0,0,0|1,0,0]=3 4483 B14R1.743 CC(C#N)NC(C)Cc1cccnc1 2230a_100011207255_100000184139 [1,1,0,0,0,0|1,0,0]=3 4484 B14R1.743 CC(C#N)NC(C)Cc1cnccn1 2230a_100011277835_100000184139 [1,1,0,0,0,0|2,0,0]=4 4485 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 34a_100011218135_200011218536 [1,1,0,0,0,0|1,0,0]=3 4486 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 7a_100000748627_100000703298 [1,1,0,0,0,0|1,0,0]=3 4487 B14R1.743 CC(C#N)SC(C)Cc1ccccc1 62a_100000703298_200011218536 [1,1,0,0,0,0|1,0,0]=3 4488 B14R1.743 CC(C#N)SC(C)Cc1ccccc1 62a_200011218536_100000703298 [1,1,0,0,0,0|1,0,0]=3 4489 B14R1.743 CC(CF)OC(C)Cc1ccccc1 34a_100016041109_200011218536 [1,1,0,0,0,0|2,0,0]=4 4490 B14R1.743 CC(CF)OC(C)Cc1ccccc1 7a_100016041109_200011218536 [1,1,0,0,0,0|2,0,0]=4 4491 B14R1.743 CC(CN)OC(C)Cc1ccccc1 34a_100000210904_200011218536 [1,1,0,0,0,0|1,0,1]=4 4492 B14R1.743 CC(CO)NC(C)Cc1ccccn1 2230a_100000238496_100012180447 [1,1,0,0,0,0|2,0,0]=4 4493 B14R1.743 CC(CO)NC(C)Cc1cccnc1 2230a_100011207255_100012180447 [1,1,0,0,0,0|2,0,0]=4 4494 B14R1.743 CC(CO)OC(C)Cc1ccccc1 34a_100000748627_100012180447 [1,1,0,0,0,0|2,0,0]=4 4495 B14R1.743 CC(CO)OC(C)Cc1ccccc1 7a_100000748627_100012180447 [1,1,0,0,0,0|2,0,0]=4 4496 B14R1.743 CC(CO)SC(C)Cc1ccccc1 62a_100012180447_200011218536 [1,1,0,0,0,0|2,0,0]=4 4497 B14R1.743 CC(C[n+]1ccccc1)N[C@H](C)CF 270004a_100102880703_100000034229 [1,1,0,0,0,0|2,0,0]=4 4498 B14R1.743 CC(C[n+]1ccccc1)N[C@H](C)CO 270004a_100000737577_100000034229 [1,1,0,0,0,0|2,0,0]=4 4499 B14R1.743 CC(Cc1ccccc1)SC(F)C#N 62a_200000117898_200011218536 [1,1,0,0,0,0|1,0,0]=3 4500 B14R1.743 CC(Cc1ccccc1)SC(F)C#N 62a_200011218536_200000117898 [1,1,0,0,0,0|1,0,0]=3 4501 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_100016084084_200011218536 [1,1,0,0,0,0|2,0,0]=4 4502 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_200011218536_100016084084 [1,1,0,0,0,0|2,0,0]=4 4503 B14R1.743 CC(Cc1cccnc1)N[C@H](C)CF 270004a_100102880703_100015187140 [1,1,0,0,0,0|2,0,0]=4 4504 B14R1.743 CC(Cc1cccnc1)N[C@H](C)CO 270004a_100000737577_100015187140 [1,1,0,0,0,0|2,0,0]=4 4505 B14R1.743 CC(Cc1ccncc1)N[C@H](C)CF 270004a_100102880703_100000238508 [1,1,0,0,0,0|2,0,0]=4 4506 B14R1.743 CC(Cc1ccncc1)N[C@H](C)CO 270004a_100000737577_100000238508 [1,1,0,0,0,0|2,0,0]=4 4507 B14R1.743 CCC(C)NC(C)C[n+]1ccccc1 270004a_100000209981_100000034229 [1,1,0,0,0,0|1,0,1]=4 4508 B14R1.743 CCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000758301 [1,1,0,0,0,0|1,0,1]=4 4509 B14R1.743 CCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000758301 [1,1,0,0,0,0|1,0,1]=4 4510 B14R1.743 CCC(C)NC(C)Cc1cccnc1 270004a_100000209981_100015187140 [1,1,0,0,0,0|1,0,1]=4 4511 B14R1.743 CCC(C)NC(C)Cc1ccncc1 270004a_100000209981_100000238508 [1,1,0,0,0,0|1,0,1]=4 4512 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [1,1,0,0,0,0|1,0,1]=4 4513 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [1,1,0,0,0,0|1,0,1]=4 4514 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [1,1,0,0,0,0|1,0,1]=4 4515 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_100000758301_200011218536 [1,1,0,0,0,0|1,0,1]=4 4516 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000758301 [1,1,0,0,0,0|1,0,1]=4 4517 B14R1.946 C#CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000688953 [1,1,0,0,0,0|2,0,0]=4 4518 B14R1.946 C#CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000730999 [1,1,0,0,0,0|2,0,0]=4 4519 B14R1.946 C#CCCN(C)Cc1ccccc1C 2230a_100000184421_100000688953 [1,1,0,0,0,0|2,0,0]=4 4520 B14R1.946 C#CCCN(C)Cc1ccccc1C 269982a_100000184421_100000730999 [1,1,0,0,0,0|2,0,0]=4 4521 B14R1.946 C#CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000688953 [1,1,0,0,0,0|2,0,0]=4 4522 B14R1.946 C#CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000730999 [1,1,0,0,0,0|2,0,0]=4 4523 B14R1.946 C#CCCN(C)Cc1ccccc1F 2230a_100000742528_100000688953 [1,1,0,0,0,0|2,0,0]=4 4524 B14R1.946 C#CCCN(C)Cc1ccccc1F 269982a_100000742528_100000730999 [1,1,0,0,0,0|2,0,0]=4 4525 B14R1.946 C#CCCN(C)Cc1ccccc1F 34a_100000742528_100000688953 [1,1,0,0,0,0|2,0,0]=4 4526 B14R1.946 C#CCCN(C)Cc1ccccc1O 2230a_100015189988_100000688953 [1,1,0,0,0,0|2,0,0]=4 4527 B14R1.946 C#CCCN(C)Cc1ccccc1O 269982a_100015189988_100000730999 [1,1,0,0,0,0|2,0,0]=4 4528 B14R1.946 C=CCNC(C)Cc1ccccc1Br 270004a_100020586998_100011350739 [1,1,0,0,0,0|0,0,2]=4 4529 B14R1.946 C=CCNC(C)Cc1ccccc1C 270004a_100020586998_200000764500 [1,1,0,0,0,0|0,0,2]=4 4530 B14R1.946 C=CCNC(C)Cc1ccccc1Cl 270004a_100020586998_100000758791 [1,1,0,0,0,0|0,0,2]=4 4531 B14R1.946 C=CCNC(C)Cc1ccccc1F 270004a_100020586998_100000709178 [1,1,0,0,0,0|0,0,2]=4 4532 B14R1.946 CC(Cc1ccccc1Br)NCCO 270004a_100000210304_100011350739 [1,1,0,0,0,0|1,0,0]=3 4533 B14R1.946 CC(Cc1ccccc1Cl)NCCO 270004a_100000210304_100000758791 [1,1,0,0,0,0|1,0,0]=3 4534 B14R1.946 CC(Cc1ccccc1F)NCCO 270004a_100000210304_100000709178 [1,1,0,0,0,0|1,0,0]=3 4535 B14R1.946 CCCNC(C)Cc1ccccc1Br 270004a_100020643023_100011350739 [1,1,0,0,0,0|0,0,1]=3 4536 B14R1.946 CCCNC(C)Cc1ccccc1C 270004a_100020643023_200000764500 [1,1,0,0,0,0|0,0,1]=3 4537 B14R1.946 CCCNC(C)Cc1ccccc1Cl 270004a_100020643023_100000758791 [1,1,0,0,0,0|0,0,1]=3 4538 B14R1.946 CCCNC(C)Cc1ccccc1F 270004a_100020643023_100000709178 [1,1,0,0,0,0|0,0,1]=3 4539 B14R1.946 CCCNC(C)Cc1ncccc1C 270004a_100020643023_100011823981 [1,1,0,0,0,0|1,0,1]=4 4540 B14R1.946 CN(CCC#N)Cc1ccccc1Br 2230a_100000184479_100000184730 [1,1,0,0,0,0|1,0,0]=3 4541 B14R1.946 CN(CCC#N)Cc1ccccc1Br 2230a_100000184654_100011215226 [1,1,0,0,0,0|1,0,0]=3 4542 B14R1.946 CN(CCC#N)Cc1ccccc1Br 269982a_100000184654_100011215226 [1,1,0,0,0,0|1,0,0]=3 4543 B14R1.946 CN(CCC#N)Cc1ccccc1Br 270004a_100000184479_100000211189 [1,1,0,0,0,0|1,0,0]=3 4544 B14R1.946 CN(CCC#N)Cc1ccccc1Cl 2230a_100000184479_100000187162 [1,1,0,0,0,0|1,0,0]=3 4545 B14R1.946 CN(CCC#N)Cc1ccccc1Cl 2230a_100000184507_100011215226 [1,1,0,0,0,0|1,0,0]=3 4546 B14R1.946 CN(CCC#N)Cc1ccccc1Cl 269982a_100000184507_100011215226 [1,1,0,0,0,0|1,0,0]=3 4547 B14R1.946 CN(CCC#N)Cc1ccccc1Cl 270004a_100000184479_100000210073 [1,1,0,0,0,0|1,0,0]=3 4548 B14R1.946 CN(CCC#N)Cc1ccccc1F 2230a_100000184479_100000211605 [1,1,0,0,0,0|1,0,0]=3 4549 B14R1.946 CN(CCC#N)Cc1ccccc1F 2230a_100000742528_100011215226 [1,1,0,0,0,0|1,0,0]=3 4550 B14R1.946 CN(CCC#N)Cc1ccccc1F 269982a_100000742528_100011215226 [1,1,0,0,0,0|1,0,0]=3 4551 B14R1.946 CN(CCC#N)Cc1ccccc1F 270004a_100000184479_100000210811 [1,1,0,0,0,0|1,0,0]=3 4552 B14R1.946 CN(CCC#N)Cc1ccccc1I 2230a_100000184479_100011215278 [1,1,0,0,0,0|1,0,0]=3 4553 B14R1.946 CN(CCC#N)Cc1ccccc1I 270004a_100000184479_100000010305 [1,1,0,0,0,0|1,0,0]=3 4554 B14R1.946 CN(CCC#N)Cc1ccccc1O 2230a_100015189988_100011215226 [1,1,0,0,0,0|1,0,0]=3 4555 B14R1.946 CN(CCC#N)Cc1ccccc1O 269982a_100015189988_100011215226 [1,1,0,0,0,0|1,0,0]=3 4556 B14R1.946 CN(CCC#N)Cc1cccnc1Br 2230a_100000184479_100010140945 [1,1,0,0,0,0|2,0,0]=4 4557 B14R1.946 CN(CCC#N)Cc1cccnc1Cl 2230a_100000184479_100000045678 [1,1,0,0,0,0|2,0,0]=4 4558 B14R1.946 CN(CCC#N)Cc1cccnc1Cl 2230a_103496529121_100011215226 [1,1,0,0,0,0|2,0,0]=4 4559 B14R1.946 CN(CCC#N)Cc1cccnc1Cl 269982a_103496529121_100011215226 [1,1,0,0,0,0|2,0,0]=4 4560 B14R1.946 CN(CCC#N)Cc1cccnc1F 2230a_100000184479_100000099810 [1,1,0,0,0,0|2,0,0]=4 4561 B14R1.946 CN(CCC#N)Cc1cccnc1O 270004a_100000184479_100011998315 [1,1,0,0,0,0|2,0,0]=4 4562 B14R1.946 CN(CCC#N)Cc1ccncc1Br 270004a_100000184479_100000755692 [1,1,0,0,0,0|2,0,0]=4 4563 B14R1.946 CN(CCC#N)Cc1ccncc1Cl 2230a_100000184479_100000763264 [1,1,0,0,0,0|2,0,0]=4 4564 B14R1.946 CN(CCC#N)Cc1ccncc1Cl 270004a_100000184479_100011934409 [1,1,0,0,0,0|2,0,0]=4 4565 B14R1.946 CN(CCC#N)Cc1cnccc1Br 270004a_100000184479_100009816821 [1,1,0,0,0,0|2,0,0]=4 4566 B14R1.946 CN(CCC#N)Cc1cnccc1Cl 270004a_100000184479_100000050567 [1,1,0,0,0,0|2,0,0]=4 4567 B14R1.946 CN(CCC#N)Cc1ncccc1Br 2230a_100000184479_100025702911 [1,1,0,0,0,0|2,0,0]=4 4568 B14R1.946 CN(CCC#N)Cc1ncccc1Br 270004a_100000184479_100011934733 [1,1,0,0,0,0|2,0,0]=4 4569 B14R1.946 CN(CCC#N)Cc1ncccc1Cl 2230a_100000184479_100000099807 [1,1,0,0,0,0|2,0,0]=4 4570 B14R1.946 CN(CCC#N)Cc1ncccc1Cl 270004a_100000184479_100012001307 [1,1,0,0,0,0|2,0,0]=4 4571 B14R1.946 CN(CCC#N)Cc1ncccc1F 2230a_100000184479_100000104219 [1,1,0,0,0,0|2,0,0]=4 4572 B14R1.946 CN(CCC#N)Cc1ncccc1F 270004a_100000184479_100011934734 [1,1,0,0,0,0|2,0,0]=4 4573 B14R1.946 CN(CSC#N)Cc1ccccc1Br 269982a_100000184654_100000211825 [1,1,0,0,0,0|2,0,0]=4 4574 B14R1.946 CN(CSC#N)Cc1ccccc1Cl 269982a_100000184507_100000211825 [1,1,0,0,0,0|2,0,0]=4 4575 B14R1.946 CN(CSC#N)Cc1ccccc1F 269982a_100000742528_100000211825 [1,1,0,0,0,0|2,0,0]=4 4576 B14R1.946 CN(CSC#N)Cc1ccccc1O 269982a_100015189988_100000211825 [1,1,0,0,0,0|2,0,0]=4 4577 B14R1.946 Cc1ccccc1CC(=O)CCC#N 1458a_100000212180_100011215226 [1,1,0,0,0,0|1,0,1]=4 4578 B14R1.946 Cc1ccccc1CC(=O)CCC#N 1458a_100011934036_100000211839 [1,1,0,0,0,0|1,0,1]=4 4579 B14R1.946 Cc1ccccc1CC(=O)NCC#N 1626a_100000734998_100000212180 [1,1,0,0,0,0|1,0,1]=4 4580 B14R1.946 Cc1ccccc1CC(=O)NCC#N 527a_100000734998_100000212180 [1,1,0,0,0,0|1,0,1]=4 4581 B14R1.946 Cc1ccccc1CC(C)NCCO 270004a_100000210304_200000764500 [1,1,0,0,0,0|1,0,0]=3 4582 B14R1.946 Cc1ccccc1CN(C)CCC#N 2230a_100000184421_100011215226 [1,1,0,0,0,0|1,0,0]=3 4583 B14R1.946 Cc1ccccc1CN(C)CCC#N 2230a_100000184479_100000211839 [1,1,0,0,0,0|1,0,0]=3 4584 B14R1.946 Cc1ccccc1CN(C)CCC#N 269982a_100000184421_100011215226 [1,1,0,0,0,0|1,0,0]=3 4585 B14R1.946 Cc1ccccc1CN(C)CCC#N 270004a_100000184479_100000211143 [1,1,0,0,0,0|1,0,0]=3 4586 B14R1.946 Cc1ccccc1CN(C)CSC#N 269982a_100000184421_100000211825 [1,1,0,0,0,0|2,0,0]=4 4587 B14R1.946 Cc1cccnc1CC(C)NCCO 270004a_100000210304_100011823981 [1,1,0,0,0,0|2,0,0]=4 4588 B14R1.946 Cc1cccnc1CN(C)CCC#N 2230a_100000184479_100000696600 [1,1,0,0,0,0|2,0,0]=4 4589 B14R1.946 Cc1cccnc1CN(C)CCC#N 270004a_100000184479_100000698913 [1,1,0,0,0,0|2,0,0]=4 4590 B14R1.946 Cc1ccncc1CN(C)CCC#N 2230a_100000184479_100000690890 [1,1,0,0,0,0|2,0,0]=4 4591 B14R1.946 Cc1ccncc1CN(C)CCC#N 270004a_100000184479_100000685662 [1,1,0,0,0,0|2,0,0]=4 4592 B14R1.946 Cc1cnccc1CN(C)CCC#N 2230a_100000184479_100020672808 [1,1,0,0,0,0|2,0,0]=4 4593 B14R1.946 Cc1cnccc1CN(C)CCC#N 2230a_100015187836_100011215226 [1,1,0,0,0,0|2,0,0]=4 4594 B14R1.946 Cc1cnccc1CN(C)CCC#N 269982a_100015187836_100011215226 [1,1,0,0,0,0|2,0,0]=4 4595 B14R1.946 Cc1ncccc1CN(C)CCC#N 2230a_100000184479_100000732876 [1,1,0,0,0,0|2,0,0]=4 4596 B14R1.946 Cc1ncccc1CN(C)CCC#N 2230a_200011875998_100011215226 [1,1,0,0,0,0|2,0,0]=4 4597 B14R1.946 Cc1ncccc1CN(C)CCC#N 269982a_200011875998_100011215226 [1,1,0,0,0,0|2,0,0]=4 4598 B14R1.946 Cc1ncccc1CN(C)CCC#N 270004a_100000184479_100000751968 [1,1,0,0,0,0|2,0,0]=4 4599 B14R1.946 N#CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100011215226 [1,1,0,0,0,0|1,0,1]=4 4600 B14R1.946 N#CCCC(=O)Cc1ccccc1Br 1458a_100011934036_100000184730 [1,1,0,0,0,0|1,0,1]=4 4601 B14R1.946 N#CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100011215226 [1,1,0,0,0,0|1,0,1]=4 4602 B14R1.946 N#CCCC(=O)Cc1ccccc1Cl 1458a_100011934036_100000187162 [1,1,0,0,0,0|1,0,1]=4 4603 B14R1.946 N#CCCC(=O)Cc1ccccc1F 1458a_100000212012_100011215226 [1,1,0,0,0,0|1,0,1]=4 4604 B14R1.946 N#CCCC(=O)Cc1ccccc1F 1458a_100011934036_100000187165 [1,1,0,0,0,0|1,0,1]=4 4605 B14R1.946 N#CCCC(=O)Cc1ccccc1I 1458a_100000036491_100011215226 [1,1,0,0,0,0|1,0,1]=4 4606 B14R1.946 N#CCCC(=O)Cc1ccccc1I 1458a_100011934036_100011216222 [1,1,0,0,0,0|1,0,1]=4 4607 B14R1.946 N#CCCC(=O)Cc1ccccc1O 1458a_100000743006_100011215226 [1,1,0,0,0,0|1,0,1]=4 4608 B14R1.946 N#CCNC(=O)Cc1ccccc1Br 527a_100000734998_100000751119 [1,1,0,0,0,0|1,0,1]=4 4609 B14R1.946 N#CCNC(=O)Cc1ccccc1Cl 1626a_100000734998_100000183793 [1,1,0,0,0,0|1,0,1]=4 4610 B14R1.946 N#CCNC(=O)Cc1ccccc1Cl 527a_100000734998_100000183793 [1,1,0,0,0,0|1,0,1]=4 4611 B14R1.946 N#CCNC(=O)Cc1ccccc1F 1626a_100000734998_100000212012 [1,1,0,0,0,0|1,0,1]=4 4612 B14R1.946 N#CCNC(=O)Cc1ccccc1F 527a_100000734998_100000212012 [1,1,0,0,0,0|1,0,1]=4 4613 B14R1.946 N#CCNC(=O)Cc1ccccc1I 1626a_100000734998_100000036491 [1,1,0,0,0,0|1,0,1]=4 4614 B14R1.946 N#CCNC(=O)Cc1ccccc1I 527a_100000734998_100000036491 [1,1,0,0,0,0|1,0,1]=4 4615 B14R1.946 N#CCNC(=O)Cc1ccccc1O 527a_100000734998_100000743006 [1,1,0,0,0,0|1,0,1]=4 4616 B14R1.4528 C#CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000038162 [1,1,0,0,0,0|1,0,1]=4 4617 B14R1.4528 CC(C)(Cc1ccccc1)OCC#N 7a_100011215222_100011215382 [1,1,0,0,0,0|1,0,0]=3 4618 B14R1.4528 CC(C)(Cc1ccccc1)OCCF 7a_100011215222_100011217306 [1,1,0,0,0,0|2,0,0]=4 4619 B14R1.4528 CC(C)(Cc1ccccc1)OCCO 7a_100011215222_100000211926 [1,1,0,0,0,0|2,0,0]=4 4620 B14R1.4528 CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210303 [1,1,0,0,0,0|1,0,1]=4 4621 B14R1.4528 N#CCNS(=O)(=O)Cc1ccccc1 274078a_100000734998_100000211737 [1,1,0,0,0,0|2,0,0]=4 4622 B14R1.19 C#CCCNC(C)c1ccc(cc1)Br 34a_100000755551_100000755118 [0,1,0,0,1,0|1,0,0]=3 4623 B14R1.19 C#CCCNC(C)c1ccc(cc1)C 34a_100000755551_100011261388 [0,1,0,0,1,0|1,0,0]=3 4624 B14R1.19 C#CCCNC(C)c1ccc(cc1)F 34a_100000755551_100000743420 [0,1,0,0,1,0|1,0,0]=3 4625 B14R1.19 C#CCCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000688953 [0,1,0,0,1,0|2,0,0]=4 4626 B14R1.19 C#CCCNC(C)c1ccc(nc1)C 2230a_100011815741_100000688953 [0,1,0,0,1,0|2,0,0]=4 4627 B14R1.19 C#CCCNC(C)c1ccc(nc1)C 34a_100011815741_100000688953 [0,1,0,0,1,0|2,0,0]=4 4628 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000688953 [0,1,0,0,1,0|1,0,0]=3 4629 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000688953 [0,1,0,0,1,0|1,0,0]=3 4630 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000688953 [0,1,0,0,1,0|1,0,0]=3 4631 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000688953 [0,1,0,0,1,0|1,0,0]=3 4632 B14R1.19 C#CCCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000688953 [0,1,0,0,1,0|2,0,0]=4 4633 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000688953 [0,1,0,0,1,0|1,0,0]=3 4634 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000688953 [0,1,0,0,1,0|1,0,0]=3 4635 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000688953 [0,1,0,0,1,0|1,0,0]=3 4636 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000688953 [0,1,0,0,1,0|1,0,0]=3 4637 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000688953 [0,1,0,0,1,0|1,0,0]=3 4638 B14R1.19 C#CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000688953 [0,1,0,0,1,0|2,0,0]=4 4639 B14R1.19 C#CCCOC(C)c1ccc(cc1)Br 34a_100011215631_100000755118 [0,1,0,0,1,0|2,0,0]=4 4640 B14R1.19 C#CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000688953 [0,1,0,0,1,0|2,0,0]=4 4641 B14R1.19 C#CCCOC(C)c1ccc(cc1)C 34a_100011215631_100011261388 [0,1,0,0,1,0|2,0,0]=4 4642 B14R1.19 C#CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000688953 [0,1,0,0,1,0|2,0,0]=4 4643 B14R1.19 C#CCCOC(C)c1ccc(cc1)F 34a_100011215631_100000743420 [0,1,0,0,1,0|2,0,0]=4 4644 B14R1.19 C#CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000688953 [0,1,0,0,1,0|2,0,0]=4 4645 B14R1.19 C#CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000688953 [0,1,0,0,1,0|2,0,0]=4 4646 B14R1.19 C#CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000688953 [0,1,0,0,1,0|2,0,0]=4 4647 B14R1.19 C#CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000688953 [0,1,0,0,1,0|2,0,0]=4 4648 B14R1.19 C#CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000688953 [0,1,0,0,1,0|2,0,0]=4 4649 B14R1.19 C#CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000688953 [0,1,0,0,1,0|2,0,0]=4 4650 B14R1.19 C#CCCSC(C)c1ccc(cc1)Br 62a_100000688953_100000755118 [0,1,0,0,1,0|2,0,0]=4 4651 B14R1.19 C#CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000688953 [0,1,0,0,1,0|2,0,0]=4 4652 B14R1.19 C#CCCSC(C)c1ccc(cc1)C 62a_100000688953_100011261388 [0,1,0,0,1,0|2,0,0]=4 4653 B14R1.19 C#CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000688953 [0,1,0,0,1,0|2,0,0]=4 4654 B14R1.19 C#CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000688953 [0,1,0,0,1,0|2,0,0]=4 4655 B14R1.19 C#CCCSC(C)c1ccc(cc1)Cl 62a_100000688953_100000684792 [0,1,0,0,1,0|2,0,0]=4 4656 B14R1.19 C#CCCSC(C)c1ccc(cc1)F 62a_100000688953_100000743420 [0,1,0,0,1,0|2,0,0]=4 4657 B14R1.19 C#CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000688953 [0,1,0,0,1,0|2,0,0]=4 4658 B14R1.19 C=CCCNC(C)c1ccc(cc1)Br 2230a_100015191253_100000755118 [0,1,0,0,1,0|1,0,1]=4 4659 B14R1.19 C=CCCNC(C)c1ccc(cc1)Br 269862a_100015191253_100000185794 [0,1,0,0,1,0|1,0,1]=4 4660 B14R1.19 C=CCCNC(C)c1ccc(cc1)C 2230a_100015191253_100011261388 [0,1,0,0,1,0|1,0,1]=4 4661 B14R1.19 C=CCCNC(C)c1ccc(cc1)C 269862a_100015191253_100000185793 [0,1,0,0,1,0|1,0,1]=4 4662 B14R1.19 C=CCCNC(C)c1ccc(cc1)Cl 2230a_100015191253_100000684792 [0,1,0,0,1,0|1,0,1]=4 4663 B14R1.19 C=CCCNC(C)c1ccc(cc1)Cl 269862a_100015191253_100000185797 [0,1,0,0,1,0|1,0,1]=4 4664 B14R1.19 C=CCCNC(C)c1ccc(cc1)F 2230a_100015191253_100000743420 [0,1,0,0,1,0|1,0,1]=4 4665 B14R1.19 C=CCCNC(C)c1ccc(cc1)F 269862a_100015191253_100000185800 [0,1,0,0,1,0|1,0,1]=4 4666 B14R1.19 C=CCCNC(C)c1ccc(cc1)I 269862a_100015191253_100000185465 [0,1,0,0,1,0|1,0,1]=4 4667 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000754431 [0,1,0,0,1,0|1,0,1]=4 4668 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000754431 [0,1,0,0,1,0|1,0,1]=4 4669 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000754431 [0,1,0,0,1,0|1,0,1]=4 4670 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000754431 [0,1,0,0,1,0|1,0,1]=4 4671 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000754431 [0,1,0,0,1,0|1,0,1]=4 4672 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000754431 [0,1,0,0,1,0|1,0,1]=4 4673 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000754431 [0,1,0,0,1,0|1,0,1]=4 4674 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000754431 [0,1,0,0,1,0|1,0,1]=4 4675 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000754431 [0,1,0,0,1,0|1,0,1]=4 4676 B14R1.19 CC#CCNC(C)c1ccc(cc1)Br 2230a_100000685387_100000755118 [0,1,0,0,1,0|1,0,1]=4 4677 B14R1.19 CC#CCNC(C)c1ccc(cc1)Br 34a_100000685387_100000755118 [0,1,0,0,1,0|1,0,1]=4 4678 B14R1.19 CC#CCNC(C)c1ccc(cc1)C 2230a_100000685387_100011261388 [0,1,0,0,1,0|1,0,1]=4 4679 B14R1.19 CC#CCNC(C)c1ccc(cc1)C 34a_100000685387_100011261388 [0,1,0,0,1,0|1,0,1]=4 4680 B14R1.19 CC#CCNC(C)c1ccc(cc1)Cl 2230a_100000685387_100000684792 [0,1,0,0,1,0|1,0,1]=4 4681 B14R1.19 CC#CCNC(C)c1ccc(cc1)F 2230a_100000685387_100000743420 [0,1,0,0,1,0|1,0,1]=4 4682 B14R1.19 CC#CCNC(C)c1ccc(cc1)F 34a_100000685387_100000743420 [0,1,0,0,1,0|1,0,1]=4 4683 B14R1.19 CC#CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000748600 [0,1,0,0,1,0|1,0,1]=4 4684 B14R1.19 CC#CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000748600 [0,1,0,0,1,0|1,0,1]=4 4685 B14R1.19 CC#CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000748600 [0,1,0,0,1,0|1,0,1]=4 4686 B14R1.19 CC#CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000748600 [0,1,0,0,1,0|1,0,1]=4 4687 B14R1.19 CC#CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000748600 [0,1,0,0,1,0|1,0,1]=4 4688 B14R1.19 CC#CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000748600 [0,1,0,0,1,0|1,0,1]=4 4689 B14R1.19 CC#CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000748600 [0,1,0,0,1,0|1,0,1]=4 4690 B14R1.19 CC#CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000748600 [0,1,0,0,1,0|1,0,1]=4 4691 B14R1.19 CC#CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000748600 [0,1,0,0,1,0|1,0,1]=4 4692 B14R1.19 CC(NCCC#N)c1ccc(cn1)Br 2230a_100000723930_100011215226 [0,1,0,0,1,0|1,0,0]=3 4693 B14R1.19 CC(NCCC#N)c1ccc(cn1)Br 270004a_100000720768_100000686046 [0,1,0,0,1,0|1,0,0]=3 4694 B14R1.19 CC(NCCC#N)c1ccc(cn1)Cl 270004a_100000720768_100000692432 [0,1,0,0,1,0|1,0,0]=3 4695 B14R1.19 CC(NCCC#N)c1ccc(cn1)F 270004a_100000720768_100102946652 [0,1,0,0,1,0|1,0,0]=3 4696 B14R1.19 CC(NCCC#N)c1cnc(cn1)Cl 270004a_100000720768_100009883172 [0,1,0,0,1,0|2,0,0]=4 4697 B14R1.19 CC(NCCC#N)c1ncc(cn1)Br 270004a_100000720768_100010077182 [0,1,0,0,1,0|2,0,0]=4 4698 B14R1.19 CC(NCCC#N)c1ncc(cn1)F 270004a_100000720768_200009841639 [0,1,0,0,1,0|2,0,0]=4 4699 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 2230a_100015189416_100000755118 [0,1,0,0,1,0|1,0,1]=4 4700 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 269862a_100015189416_100000185794 [0,1,0,0,1,0|1,0,1]=4 4701 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 34a_100015189416_100000755118 [0,1,0,0,1,0|1,0,1]=4 4702 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 2230a_100015189416_100000684792 [0,1,0,0,1,0|1,0,1]=4 4703 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 269862a_100015189416_100000185797 [0,1,0,0,1,0|1,0,1]=4 4704 B14R1.19 CC(NCCCF)c1ccc(cc1)F 2230a_100015189416_100000743420 [0,1,0,0,1,0|1,0,1]=4 4705 B14R1.19 CC(NCCCF)c1ccc(cc1)F 269862a_100015189416_100000185800 [0,1,0,0,1,0|1,0,1]=4 4706 B14R1.19 CC(NCCCF)c1ccc(cc1)F 34a_100015189416_100000743420 [0,1,0,0,1,0|1,0,1]=4 4707 B14R1.19 CC(NCCCF)c1ccc(cc1)I 269862a_100015189416_100000185465 [0,1,0,0,1,0|1,0,1]=4 4708 B14R1.19 CC(NCCCO)c1ccc(cc1)Br 269862a_100000182051_100000185794 [0,1,0,0,1,0|1,0,1]=4 4709 B14R1.19 CC(NCCCO)c1ccc(cc1)Cl 269862a_100000182051_100000185797 [0,1,0,0,1,0|1,0,1]=4 4710 B14R1.19 CC(NCCCO)c1ccc(cc1)F 269862a_100000182051_100000185800 [0,1,0,0,1,0|1,0,1]=4 4711 B14R1.19 CC(NCCCO)c1ccc(cc1)I 269862a_100000182051_100000185465 [0,1,0,0,1,0|1,0,1]=4 4712 B14R1.19 CC(OCCC#N)c1ccc(cc1)Br 7a_100000745893_100000184422 [0,1,0,0,1,0|1,0,0]=3 4713 B14R1.19 CC(OCCC#N)c1ccc(cc1)F 7a_100000181323_100000184422 [0,1,0,0,1,0|1,0,0]=3 4714 B14R1.19 CC(OCCC#N)c1ccc(cn1)Br 7a_100012353650_100000184422 [0,1,0,0,1,0|2,0,0]=4 4715 B14R1.19 CC(OCCC#N)c1ccc(nc1)Br 7a_200010274204_100000184422 [0,1,0,0,1,0|2,0,0]=4 4716 B14R1.19 CC(OCCC#N)c1ccc(nc1)Cl 7a_200012017543_100000184422 [0,1,0,0,1,0|2,0,0]=4 4717 B14R1.19 CC(SCCC#N)c1ccc(cc1)Br 62a_100000755118_100011215226 [0,1,0,0,1,0|1,0,0]=3 4718 B14R1.19 CC(SCCC#N)c1ccc(cc1)Br 62a_100011215226_100000755118 [0,1,0,0,1,0|1,0,0]=3 4719 B14R1.19 CC(SCCC#N)c1ccc(cc1)Cl 62a_100000684792_100011215226 [0,1,0,0,1,0|1,0,0]=3 4720 B14R1.19 CC(SCCC#N)c1ccc(cc1)Cl 62a_100011215226_100000684792 [0,1,0,0,1,0|1,0,0]=3 4721 B14R1.19 CC(SCCC#N)c1ccc(cc1)F 62a_100000743420_100011215226 [0,1,0,0,1,0|1,0,0]=3 4722 B14R1.19 CC(SCCC#N)c1ccc(cc1)F 62a_100011215226_100000743420 [0,1,0,0,1,0|1,0,0]=3 4723 B14R1.19 CC(SCSC#N)c1ccc(cc1)Br 62a_100000211825_100000755118 [0,1,0,0,1,0|2,0,0]=4 4724 B14R1.19 CC(SCSC#N)c1ccc(cc1)Br 62a_100000755118_100000211825 [0,1,0,0,1,0|2,0,0]=4 4725 B14R1.19 CC(SCSC#N)c1ccc(cc1)Cl 62a_100000211825_100000684792 [0,1,0,0,1,0|2,0,0]=4 4726 B14R1.19 CC(SCSC#N)c1ccc(cc1)Cl 62a_100000684792_100000211825 [0,1,0,0,1,0|2,0,0]=4 4727 B14R1.19 CC(SCSC#N)c1ccc(cc1)F 62a_100000211825_100000743420 [0,1,0,0,1,0|2,0,0]=4 4728 B14R1.19 CC(SCSC#N)c1ccc(cc1)F 62a_100000743420_100000211825 [0,1,0,0,1,0|2,0,0]=4 4729 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 2230a_100000102301_100000755118 [0,1,0,0,1,0|1,0,1]=4 4730 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 269862a_100000102301_100000185794 [0,1,0,0,1,0|1,0,1]=4 4731 B14R1.19 CCCCNC(C)c1ccc(cc1)C 2230a_100000102301_100011261388 [0,1,0,0,1,0|1,0,1]=4 4732 B14R1.19 CCCCNC(C)c1ccc(cc1)C 269862a_100000102301_100000185793 [0,1,0,0,1,0|1,0,1]=4 4733 B14R1.19 CCCCNC(C)c1ccc(cc1)C 7a_106832991798_100011261388 [0,1,0,0,1,0|1,0,1]=4 4734 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 2230a_100000102301_100000684792 [0,1,0,0,1,0|1,0,1]=4 4735 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 269862a_100000102301_100000185797 [0,1,0,0,1,0|1,0,1]=4 4736 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 7a_106832991798_100000684792 [0,1,0,0,1,0|1,0,1]=4 4737 B14R1.19 CCCCNC(C)c1ccc(cc1)F 2230a_100000102301_100000743420 [0,1,0,0,1,0|1,0,1]=4 4738 B14R1.19 CCCCNC(C)c1ccc(cc1)F 269862a_100000102301_100000185800 [0,1,0,0,1,0|1,0,1]=4 4739 B14R1.19 CCCCNC(C)c1ccc(cc1)F 7a_106832991798_100000743420 [0,1,0,0,1,0|1,0,1]=4 4740 B14R1.19 CCCCNC(C)c1ccc(cc1)I 269862a_100000102301_100000185465 [0,1,0,0,1,0|1,0,1]=4 4741 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210211 [0,1,0,0,1,0|1,0,1]=4 4742 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210210 [0,1,0,0,1,0|1,0,1]=4 4743 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210211 [0,1,0,0,1,0|1,0,1]=4 4744 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210211 [0,1,0,0,1,0|1,0,1]=4 4745 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210211 [0,1,0,0,1,0|1,0,1]=4 4746 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210211 [0,1,0,0,1,0|1,0,1]=4 4747 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210210 [0,1,0,0,1,0|1,0,1]=4 4748 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210211 [0,1,0,0,1,0|1,0,1]=4 4749 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210210 [0,1,0,0,1,0|1,0,1]=4 4750 B14R1.19 CN(CCCC#N)c1ccc(cc1)Br 2230a_100000219623_100000687738 [0,1,0,0,1,0|2,0,0]=4 4751 B14R1.19 CN(CCCC#N)c1ccc(cc1)Br 269982a_100000219623_100000687738 [0,1,0,0,1,0|2,0,0]=4 4752 B14R1.19 CN(CCCC#N)c1ccc(cc1)Cl 2230a_100020629279_100000687738 [0,1,0,0,1,0|2,0,0]=4 4753 B14R1.19 CN(CCCC#N)c1ccc(cc1)Cl 269982a_100020629279_100000687738 [0,1,0,0,1,0|2,0,0]=4 4754 B14R1.19 CN(CCCC#N)c1ccc(cc1)F 2230a_100000219829_100000687738 [0,1,0,0,1,0|2,0,0]=4 4755 B14R1.19 CN(CCCC#N)c1ccc(cc1)F 269982a_100000219829_100000687738 [0,1,0,0,1,0|2,0,0]=4 4756 B14R1.19 CN(CCCC#N)c1ccc(cc1)I 2230a_100000743151_100000687738 [0,1,0,0,1,0|2,0,0]=4 4757 B14R1.19 CN(CCCC#N)c1ccc(cc1)I 269982a_100000743151_100000687738 [0,1,0,0,1,0|2,0,0]=4 4758 B14R1.19 CN(CCCC#N)c1ccc(cc1)O 269982a_100000182112_100000687738 [0,1,0,0,1,0|2,0,0]=4 4759 B14R1.19 COCCNC(C)c1ccc(cc1)Br 2230a_100000209980_100000755118 [0,1,0,0,1,0|2,0,0]=4 4760 B14R1.19 COCCNC(C)c1ccc(cc1)Br 269862a_100000209980_100000185794 [0,1,0,0,1,0|2,0,0]=4 4761 B14R1.19 COCCNC(C)c1ccc(cc1)C 2230a_100000209980_100011261388 [0,1,0,0,1,0|2,0,0]=4 4762 B14R1.19 COCCNC(C)c1ccc(cc1)C 269862a_100000209980_100000185793 [0,1,0,0,1,0|2,0,0]=4 4763 B14R1.19 COCCNC(C)c1ccc(cc1)Cl 2230a_100000209980_100000684792 [0,1,0,0,1,0|2,0,0]=4 4764 B14R1.19 COCCNC(C)c1ccc(cc1)Cl 269862a_100000209980_100000185797 [0,1,0,0,1,0|2,0,0]=4 4765 B14R1.19 COCCNC(C)c1ccc(cc1)F 2230a_100000209980_100000743420 [0,1,0,0,1,0|2,0,0]=4 4766 B14R1.19 COCCNC(C)c1ccc(cc1)F 269862a_100000209980_100000185800 [0,1,0,0,1,0|2,0,0]=4 4767 B14R1.19 COCCNC(C)c1ccc(cc1)I 269862a_100000209980_100000185465 [0,1,0,0,1,0|2,0,0]=4 4768 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011201679 [0,1,0,0,1,0|2,0,0]=4 4769 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011201679 [0,1,0,0,1,0|2,0,0]=4 4770 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011201679 [0,1,0,0,1,0|2,0,0]=4 4771 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011201679 [0,1,0,0,1,0|2,0,0]=4 4772 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011201679 [0,1,0,0,1,0|2,0,0]=4 4773 B14R1.19 COCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011201679 [0,1,0,0,1,0|2,0,0]=4 4774 B14R1.19 COCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011201679 [0,1,0,0,1,0|2,0,0]=4 4775 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011201679 [0,1,0,0,1,0|2,0,0]=4 4776 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011201679 [0,1,0,0,1,0|2,0,0]=4 4777 B14R1.19 CSCCNC(C)c1ccc(cc1)Br 2230a_100020590264_100000755118 [0,1,0,0,1,0|2,0,0]=4 4778 B14R1.19 CSCCNC(C)c1ccc(cc1)Br 269862a_100020590264_100000185794 [0,1,0,0,1,0|2,0,0]=4 4779 B14R1.19 CSCCNC(C)c1ccc(cc1)C 2230a_100020590264_100011261388 [0,1,0,0,1,0|2,0,0]=4 4780 B14R1.19 CSCCNC(C)c1ccc(cc1)C 269862a_100020590264_100000185793 [0,1,0,0,1,0|2,0,0]=4 4781 B14R1.19 CSCCNC(C)c1ccc(cc1)Cl 2230a_100020590264_100000684792 [0,1,0,0,1,0|2,0,0]=4 4782 B14R1.19 CSCCNC(C)c1ccc(cc1)Cl 269862a_100020590264_100000185797 [0,1,0,0,1,0|2,0,0]=4 4783 B14R1.19 CSCCNC(C)c1ccc(cc1)F 2230a_100020590264_100000743420 [0,1,0,0,1,0|2,0,0]=4 4784 B14R1.19 CSCCNC(C)c1ccc(cc1)F 269862a_100020590264_100000185800 [0,1,0,0,1,0|2,0,0]=4 4785 B14R1.19 CSCCNC(C)c1ccc(cc1)I 269862a_100020590264_100000185465 [0,1,0,0,1,0|2,0,0]=4 4786 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000751147 [0,1,0,0,1,0|2,0,0]=4 4787 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000212216 [0,1,0,0,1,0|2,0,0]=4 4788 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000751147 [0,1,0,0,1,0|2,0,0]=4 4789 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000751147 [0,1,0,0,1,0|2,0,0]=4 4790 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000751147 [0,1,0,0,1,0|2,0,0]=4 4791 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000751147 [0,1,0,0,1,0|2,0,0]=4 4792 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000212216 [0,1,0,0,1,0|2,0,0]=4 4793 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000751147 [0,1,0,0,1,0|2,0,0]=4 4794 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000212216 [0,1,0,0,1,0|2,0,0]=4 4795 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)Br 2230a_100000720352_100011215226 [0,1,0,0,1,0|0,0,0]=2 4796 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)Cl 2230a_100015205461_100011215226 [0,1,0,0,1,0|0,0,0]=2 4797 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Br 2230a_100000720352_100011934791 [0,1,0,0,1,0|1,0,1]=4 4798 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 2230a_100015205461_100011934791 [0,1,0,0,1,0|1,0,1]=4 4799 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 34a_100015205461_100011934791 [0,1,0,0,1,0|1,0,1]=4 4800 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Br 2230a_100000720352_100000230001 [0,1,0,0,1,0|1,0,1]=4 4801 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 2230a_100015205461_100000230001 [0,1,0,0,1,0|1,0,1]=4 4802 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 34a_100015205461_100000230001 [0,1,0,0,1,0|1,0,1]=4 4803 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)F 2230a_100025705893_100011215226 [0,1,0,0,1,0|0,0,0]=2 4804 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)I 2230a_100000753911_100011215226 [0,1,0,0,1,0|0,0,0]=2 4805 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)O 2230a_100161106496_100011215226 [0,1,0,0,1,0|0,0,0]=2 4806 B14R1.19 C[C@H](NCCC#N)c1ccc(nc1)Br 2230a_100015387476_100011215226 [0,1,0,0,1,0|1,0,0]=3 4807 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 2230a_100025705893_100011934791 [0,1,0,0,1,0|1,0,1]=4 4808 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 34a_100025705893_100011934791 [0,1,0,0,1,0|1,0,1]=4 4809 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)I 2230a_100000753911_100011934791 [0,1,0,0,1,0|1,0,1]=4 4810 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)O 2230a_100161106496_100011934791 [0,1,0,0,1,0|1,0,1]=4 4811 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 2230a_100025705893_100000230001 [0,1,0,0,1,0|1,0,1]=4 4812 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 34a_100025705893_100000230001 [0,1,0,0,1,0|1,0,1]=4 4813 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)I 2230a_100000753911_100000230001 [0,1,0,0,1,0|1,0,1]=4 4814 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)O 2230a_100161106496_100000230001 [0,1,0,0,1,0|1,0,1]=4 4815 B14R1.19 C[C@H](OCCC#N)c1ccc(cc1)Cl 7a_100011852131_100000184422 [0,1,0,0,1,0|1,0,0]=3 4816 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 11a_100000720768_100000188618 [0,1,0,0,1,0|1,0,1]=4 4817 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 1626a_100000720768_100000188618 [0,1,0,0,1,0|1,0,1]=4 4818 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 240690a_100000720768_100000188618 [0,1,0,0,1,0|1,0,1]=4 4819 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 527a_100000720768_100000188618 [0,1,0,0,1,0|1,0,1]=4 4820 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 2230a_100015189416_100011261388 [0,1,0,0,1,0|1,0,1]=4 4821 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 269862a_100015189416_100000185793 [0,1,0,0,1,0|1,0,1]=4 4822 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 34a_100015189416_100011261388 [0,1,0,0,1,0|1,0,1]=4 4823 B14R1.19 Cc1ccc(cc1)C(C)NCCCO 269862a_100000182051_100000185793 [0,1,0,0,1,0|1,0,1]=4 4824 B14R1.19 Cc1ccc(cc1)C(C)SCCC#N 62a_100011215226_100011261388 [0,1,0,0,1,0|1,0,0]=3 4825 B14R1.19 Cc1ccc(cc1)C(C)SCCC#N 62a_100011261388_100011215226 [0,1,0,0,1,0|1,0,0]=3 4826 B14R1.19 Cc1ccc(cc1)C(C)SCSC#N 62a_100000211825_100011261388 [0,1,0,0,1,0|2,0,0]=4 4827 B14R1.19 Cc1ccc(cc1)C(C)SCSC#N 62a_100011261388_100000211825 [0,1,0,0,1,0|2,0,0]=4 4828 B14R1.19 Cc1ccc(cc1)N(C)CCCC#N 2230a_100000219977_100000687738 [0,1,0,0,1,0|2,0,0]=4 4829 B14R1.19 Cc1ccc(cc1)N(C)CCCC#N 269982a_100000219977_100000687738 [0,1,0,0,1,0|2,0,0]=4 4830 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCC#N 2230a_100016988085_100011215226 [0,1,0,0,1,0|0,0,0]=2 4831 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 2230a_100016988085_100011934791 [0,1,0,0,1,0|1,0,1]=4 4832 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 34a_100016988085_100011934791 [0,1,0,0,1,0|1,0,1]=4 4833 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 2230a_100016988085_100000230001 [0,1,0,0,1,0|1,0,1]=4 4834 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 34a_100016988085_100000230001 [0,1,0,0,1,0|1,0,1]=4 4835 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCC#N 7a_100000690690_100000184422 [0,1,0,0,1,0|1,0,0]=3 4836 B14R1.19 Cc1ccc(cn1)C(C)NCCC#N 2230a_100011815741_100011215226 [0,1,0,0,1,0|1,0,0]=3 4837 B14R1.19 Cc1ccc(cn1)C(C)OCCC#N 7a_200011815720_100000184422 [0,1,0,0,1,0|2,0,0]=4 4838 B14R1.19 Cc1ccc(nc1)C(C)NCCC#N 270004a_100000720768_100000084104 [0,1,0,0,1,0|1,0,0]=3 4839 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 11a_100000720768_100000185839 [0,1,0,0,1,0|1,0,1]=4 4840 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 1626a_100000720768_100000185839 [0,1,0,0,1,0|1,0,1]=4 4841 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 240690a_100000720768_100000185839 [0,1,0,0,1,0|1,0,1]=4 4842 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 527a_100000720768_100000185839 [0,1,0,0,1,0|1,0,1]=4 4843 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 11a_100000720768_100000210187 [0,1,0,0,1,0|1,0,1]=4 4844 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 1626a_100000720768_100000210187 [0,1,0,0,1,0|1,0,1]=4 4845 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 240690a_100000720768_100000210187 [0,1,0,0,1,0|1,0,1]=4 4846 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 527a_100000720768_100000210187 [0,1,0,0,1,0|1,0,1]=4 4847 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 11a_100000720768_100000187176 [0,1,0,0,1,0|1,0,1]=4 4848 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 1626a_100000720768_100000187176 [0,1,0,0,1,0|1,0,1]=4 4849 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 240690a_100000720768_100000187176 [0,1,0,0,1,0|1,0,1]=4 4850 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 527a_100000720768_100000187176 [0,1,0,0,1,0|1,0,1]=4 4851 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 11a_100000720768_100000187904 [0,1,0,0,1,0|1,0,1]=4 4852 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 1626a_100000720768_100000187904 [0,1,0,0,1,0|1,0,1]=4 4853 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 240690a_100000720768_100000187904 [0,1,0,0,1,0|1,0,1]=4 4854 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 527a_100000720768_100000187904 [0,1,0,0,1,0|1,0,1]=4 4855 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O 240690a_100000720768_100000212099 [0,1,0,0,1,0|1,0,1]=4 4856 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O 527a_100000720768_100000212099 [0,1,0,0,1,0|1,0,1]=4 4857 B14R1.19 [2H]C(OCCC#N)c1ccc(cc1)F 7a_217856618577_100000184422 [0,1,0,0,1,0|2,0,0]=4 4858 B14R1.20 C#CCCNC(C)c1cc(ccn1)C 2230a_100011933787_100000688953 [0,1,0,0,1,0|2,0,0]=4 4859 B14R1.20 C#CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000688953 [0,1,0,0,1,0|1,0,0]=3 4860 B14R1.20 C#CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000688953 [0,1,0,0,1,0|1,0,0]=3 4861 B14R1.20 C#CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000688953 [0,1,0,0,1,0|1,0,0]=3 4862 B14R1.20 C#CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000688953 [0,1,0,0,1,0|1,0,0]=3 4863 B14R1.20 C#CCCNC(C)c1cccc(n1)Br 2230a_200010173468_100000688953 [0,1,0,0,1,0|2,0,0]=4 4864 B14R1.20 C#CCCNC(C)c1cccc(n1)C 2230a_100011877385_100000688953 [0,1,0,0,1,0|2,0,0]=4 4865 B14R1.20 C#CCCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000688953 [0,1,0,0,1,0|2,0,0]=4 4866 B14R1.20 C#CCCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000688953 [0,1,0,0,1,0|2,0,0]=4 4867 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000688953 [0,1,0,0,1,0|1,0,0]=3 4868 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000688953 [0,1,0,0,1,0|1,0,0]=3 4869 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000688953 [0,1,0,0,1,0|1,0,0]=3 4870 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000688953 [0,1,0,0,1,0|1,0,0]=3 4871 B14R1.20 C#CCCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000688953 [0,1,0,0,1,0|2,0,0]=4 4872 B14R1.20 C#CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000688953 [0,1,0,0,1,0|2,0,0]=4 4873 B14R1.20 C#CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000688953 [0,1,0,0,1,0|2,0,0]=4 4874 B14R1.20 C#CCCOC(C)c1cccc(c1)C 34a_100000757818_100000688953 [0,1,0,0,1,0|2,0,0]=4 4875 B14R1.20 C#CCCOC(C)c1cccc(c1)C 7a_100000757818_100000688953 [0,1,0,0,1,0|2,0,0]=4 4876 B14R1.20 C#CCCOC(C)c1cccc(c1)F 34a_100000744526_100000688953 [0,1,0,0,1,0|2,0,0]=4 4877 B14R1.20 C#CCCOC(C)c1cccc(c1)F 7a_100000744526_100000688953 [0,1,0,0,1,0|2,0,0]=4 4878 B14R1.20 C#CCCOC(C)c1cccc(c1)I 34a_100013085317_100000688953 [0,1,0,0,1,0|2,0,0]=4 4879 B14R1.20 C#CCCOC(C)c1cccc(c1)I 7a_100013085317_100000688953 [0,1,0,0,1,0|2,0,0]=4 4880 B14R1.20 C#CCCOC(C)c1cccc(c1)N 34a_100011217120_100000688953 [0,1,0,0,1,0|2,0,0]=4 4881 B14R1.20 C#CCCOC(C)c1cccc(c1)N 7a_100011217120_100000688953 [0,1,0,0,1,0|2,0,0]=4 4882 B14R1.20 C#CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000688953 [0,1,0,0,1,0|2,0,0]=4 4883 B14R1.20 C#CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000688953 [0,1,0,0,1,0|2,0,0]=4 4884 B14R1.20 C=CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000754431 [0,1,0,0,1,0|1,0,1]=4 4885 B14R1.20 C=CCCNC(C)c1cccc(c1)Br 269862a_100015191253_100000210093 [0,1,0,0,1,0|1,0,1]=4 4886 B14R1.20 C=CCCNC(C)c1cccc(c1)C 269862a_100015191253_100000211476 [0,1,0,0,1,0|1,0,1]=4 4887 B14R1.20 C=CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000754431 [0,1,0,0,1,0|1,0,1]=4 4888 B14R1.20 C=CCCNC(C)c1cccc(c1)Cl 269862a_100015191253_200000210964 [0,1,0,0,1,0|1,0,1]=4 4889 B14R1.20 C=CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000754431 [0,1,0,0,1,0|1,0,1]=4 4890 B14R1.20 C=CCCNC(C)c1cccc(c1)F 269862a_100015191253_100000187083 [0,1,0,0,1,0|1,0,1]=4 4891 B14R1.20 C=CCCNC(C)c1cccc(c1)I 269862a_100015191253_100011356966 [0,1,0,0,1,0|1,0,1]=4 4892 B14R1.20 C=CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000754431 [0,1,0,0,1,0|1,0,1]=4 4893 B14R1.20 C=CCCNC(C)c1cccc(c1)O 269862a_100015191253_100000211620 [0,1,0,0,1,0|1,0,1]=4 4894 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000754431 [0,1,0,0,1,0|1,0,1]=4 4895 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000754431 [0,1,0,0,1,0|1,0,1]=4 4896 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000754431 [0,1,0,0,1,0|1,0,1]=4 4897 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000754431 [0,1,0,0,1,0|1,0,1]=4 4898 B14R1.20 CC#CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000748600 [0,1,0,0,1,0|1,0,1]=4 4899 B14R1.20 CC#CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000748600 [0,1,0,0,1,0|1,0,1]=4 4900 B14R1.20 CC#CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000748600 [0,1,0,0,1,0|1,0,1]=4 4901 B14R1.20 CC#CCNC(C)c1cccc(c1)O 2230a_100000740644_100000748600 [0,1,0,0,1,0|1,0,1]=4 4902 B14R1.20 CC#CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000748600 [0,1,0,0,1,0|1,0,1]=4 4903 B14R1.20 CC#CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000748600 [0,1,0,0,1,0|1,0,1]=4 4904 B14R1.20 CC#CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000748600 [0,1,0,0,1,0|1,0,1]=4 4905 B14R1.20 CC#CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000748600 [0,1,0,0,1,0|1,0,1]=4 4906 B14R1.20 CC(NCCC#N)c1cc(ccn1)Br 270004a_100000720768_100000709912 [0,1,0,0,1,0|1,0,0]=3 4907 B14R1.20 CC(NCCC#N)c1cc(ccn1)Cl 270004a_100000720768_100000099826 [0,1,0,0,1,0|1,0,0]=3 4908 B14R1.20 CC(NCCC#N)c1cccc(c1)Br 2230a_100020642005_100011215226 [0,1,0,0,1,0|0,0,0]=2 4909 B14R1.20 CC(NCCC#N)c1cccc(c1)Cl 2230a_100102723534_100011215226 [0,1,0,0,1,0|0,0,0]=2 4910 B14R1.20 CC(NCCC#N)c1cccc(c1)O 2230a_100000740644_100011215226 [0,1,0,0,1,0|0,0,0]=2 4911 B14R1.20 CC(NCCC#N)c1cccc(n1)Br 2230a_200010173468_100011215226 [0,1,0,0,1,0|1,0,0]=3 4912 B14R1.20 CC(NCCCF)c1cccc(c1)Br 2230a_100020642005_100011934791 [0,1,0,0,1,0|1,0,1]=4 4913 B14R1.20 CC(NCCCF)c1cccc(c1)Br 269862a_100015189416_100000210093 [0,1,0,0,1,0|1,0,1]=4 4914 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 2230a_100102723534_100011934791 [0,1,0,0,1,0|1,0,1]=4 4915 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 269862a_100015189416_200000210964 [0,1,0,0,1,0|1,0,1]=4 4916 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 34a_100102723534_100011934791 [0,1,0,0,1,0|1,0,1]=4 4917 B14R1.20 CC(NCCCF)c1cccc(c1)F 269862a_100015189416_100000187083 [0,1,0,0,1,0|1,0,1]=4 4918 B14R1.20 CC(NCCCF)c1cccc(c1)I 269862a_100015189416_100011356966 [0,1,0,0,1,0|1,0,1]=4 4919 B14R1.20 CC(NCCCF)c1cccc(c1)O 2230a_100000740644_100011934791 [0,1,0,0,1,0|1,0,1]=4 4920 B14R1.20 CC(NCCCF)c1cccc(c1)O 269862a_100015189416_100000211620 [0,1,0,0,1,0|1,0,1]=4 4921 B14R1.20 CC(NCCCO)c1cccc(c1)Br 2230a_100020642005_100000230001 [0,1,0,0,1,0|1,0,1]=4 4922 B14R1.20 CC(NCCCO)c1cccc(c1)Br 269862a_100000182051_100000210093 [0,1,0,0,1,0|1,0,1]=4 4923 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 2230a_100102723534_100000230001 [0,1,0,0,1,0|1,0,1]=4 4924 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 269862a_100000182051_200000210964 [0,1,0,0,1,0|1,0,1]=4 4925 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 34a_100102723534_100000230001 [0,1,0,0,1,0|1,0,1]=4 4926 B14R1.20 CC(NCCCO)c1cccc(c1)F 269862a_100000182051_100000187083 [0,1,0,0,1,0|1,0,1]=4 4927 B14R1.20 CC(NCCCO)c1cccc(c1)I 269862a_100000182051_100011356966 [0,1,0,0,1,0|1,0,1]=4 4928 B14R1.20 CC(NCCCO)c1cccc(c1)O 2230a_100000740644_100000230001 [0,1,0,0,1,0|1,0,1]=4 4929 B14R1.20 CC(NCCCO)c1cccc(c1)O 269862a_100000182051_100000211620 [0,1,0,0,1,0|1,0,1]=4 4930 B14R1.20 CC(OCCC#N)c1cc(ccn1)Cl 7a_100000144657_100000184422 [0,1,0,0,1,0|2,0,0]=4 4931 B14R1.20 CC(OCCC#N)c1cccc(c1)Br 7a_100000246457_100000184422 [0,1,0,0,1,0|1,0,0]=3 4932 B14R1.20 CC(OCCC#N)c1cccc(c1)F 7a_100000744526_100000184422 [0,1,0,0,1,0|1,0,0]=3 4933 B14R1.20 CC(OCCC#N)c1cccc(c1)I 7a_100013085317_100000184422 [0,1,0,0,1,0|1,0,0]=3 4934 B14R1.20 CC(OCCC#N)c1cccc(c1)N 7a_100011217120_100000184422 [0,1,0,0,1,0|1,0,0]=3 4935 B14R1.20 CC(OCCC#N)c1cccc(n1)Br 7a_100009820884_100000184422 [0,1,0,0,1,0|2,0,0]=4 4936 B14R1.20 CC(OCCC#N)c1cncc(c1)Br 7a_100012351597_100000184422 [0,1,0,0,1,0|2,0,0]=4 4937 B14R1.20 CCCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210211 [0,1,0,0,1,0|1,0,1]=4 4938 B14R1.20 CCCCNC(C)c1cccc(c1)Br 269862a_100000102301_100000210093 [0,1,0,0,1,0|1,0,1]=4 4939 B14R1.20 CCCCNC(C)c1cccc(c1)C 269862a_100000102301_100000211476 [0,1,0,0,1,0|1,0,1]=4 4940 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210211 [0,1,0,0,1,0|1,0,1]=4 4941 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 269862a_100000102301_200000210964 [0,1,0,0,1,0|1,0,1]=4 4942 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210210 [0,1,0,0,1,0|1,0,1]=4 4943 B14R1.20 CCCCNC(C)c1cccc(c1)F 269862a_100000102301_100000187083 [0,1,0,0,1,0|1,0,1]=4 4944 B14R1.20 CCCCNC(C)c1cccc(c1)I 269862a_100000102301_100011356966 [0,1,0,0,1,0|1,0,1]=4 4945 B14R1.20 CCCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210211 [0,1,0,0,1,0|1,0,1]=4 4946 B14R1.20 CCCCNC(C)c1cccc(c1)O 269862a_100000102301_100000211620 [0,1,0,0,1,0|1,0,1]=4 4947 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210211 [0,1,0,0,1,0|1,0,1]=4 4948 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210210 [0,1,0,0,1,0|1,0,1]=4 4949 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210211 [0,1,0,0,1,0|1,0,1]=4 4950 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210210 [0,1,0,0,1,0|1,0,1]=4 4951 B14R1.20 CN(CCCC#N)c1cccc(c1)Br 2230a_100000219648_100000687738 [0,1,0,0,1,0|2,0,0]=4 4952 B14R1.20 CN(CCCC#N)c1cccc(c1)Br 269982a_100000219648_100000687738 [0,1,0,0,1,0|2,0,0]=4 4953 B14R1.20 CN(CCCC#N)c1cccc(c1)Cl 2230a_100000220044_100000687738 [0,1,0,0,1,0|2,0,0]=4 4954 B14R1.20 CN(CCCC#N)c1cccc(c1)Cl 269982a_100000220044_100000687738 [0,1,0,0,1,0|2,0,0]=4 4955 B14R1.20 CN(CCCC#N)c1cccc(c1)F 2230a_100020633736_100000687738 [0,1,0,0,1,0|2,0,0]=4 4956 B14R1.20 CN(CCCC#N)c1cccc(c1)F 269982a_100020633736_100000687738 [0,1,0,0,1,0|2,0,0]=4 4957 B14R1.20 CN(CCCC#N)c1cccc(c1)I 2230a_100000221217_100000687738 [0,1,0,0,1,0|2,0,0]=4 4958 B14R1.20 CN(CCCC#N)c1cccc(c1)I 269982a_100000221217_100000687738 [0,1,0,0,1,0|2,0,0]=4 4959 B14R1.20 CN(CCCC#N)c1cccc(c1)O 2230a_100000756613_100000687738 [0,1,0,0,1,0|2,0,0]=4 4960 B14R1.20 CN(CCCC#N)c1cccc(c1)O 269982a_100000756613_100000687738 [0,1,0,0,1,0|2,0,0]=4 4961 B14R1.20 COCCNC(C)c1cccc(c1)Br 2230a_100020642005_100011201679 [0,1,0,0,1,0|2,0,0]=4 4962 B14R1.20 COCCNC(C)c1cccc(c1)Br 269862a_100000209980_100000210093 [0,1,0,0,1,0|2,0,0]=4 4963 B14R1.20 COCCNC(C)c1cccc(c1)C 269862a_100000209980_100000211476 [0,1,0,0,1,0|2,0,0]=4 4964 B14R1.20 COCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100011201679 [0,1,0,0,1,0|2,0,0]=4 4965 B14R1.20 COCCNC(C)c1cccc(c1)Cl 269862a_100000209980_200000210964 [0,1,0,0,1,0|2,0,0]=4 4966 B14R1.20 COCCNC(C)c1cccc(c1)Cl 34a_100102723534_100011201679 [0,1,0,0,1,0|2,0,0]=4 4967 B14R1.20 COCCNC(C)c1cccc(c1)F 269862a_100000209980_100000187083 [0,1,0,0,1,0|2,0,0]=4 4968 B14R1.20 COCCNC(C)c1cccc(c1)I 269862a_100000209980_100011356966 [0,1,0,0,1,0|2,0,0]=4 4969 B14R1.20 COCCNC(C)c1cccc(c1)O 2230a_100000740644_100011201679 [0,1,0,0,1,0|2,0,0]=4 4970 B14R1.20 COCCNC(C)c1cccc(c1)O 269862a_100000209980_100000211620 [0,1,0,0,1,0|2,0,0]=4 4971 B14R1.20 COCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100011201679 [0,1,0,0,1,0|2,0,0]=4 4972 B14R1.20 COCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100011201679 [0,1,0,0,1,0|2,0,0]=4 4973 B14R1.20 COCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100011201679 [0,1,0,0,1,0|2,0,0]=4 4974 B14R1.20 COCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100011201679 [0,1,0,0,1,0|2,0,0]=4 4975 B14R1.20 CSCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000751147 [0,1,0,0,1,0|2,0,0]=4 4976 B14R1.20 CSCCNC(C)c1cccc(c1)Br 269862a_100020590264_100000210093 [0,1,0,0,1,0|2,0,0]=4 4977 B14R1.20 CSCCNC(C)c1cccc(c1)C 269862a_100020590264_100000211476 [0,1,0,0,1,0|2,0,0]=4 4978 B14R1.20 CSCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000751147 [0,1,0,0,1,0|2,0,0]=4 4979 B14R1.20 CSCCNC(C)c1cccc(c1)Cl 269862a_100020590264_200000210964 [0,1,0,0,1,0|2,0,0]=4 4980 B14R1.20 CSCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000212216 [0,1,0,0,1,0|2,0,0]=4 4981 B14R1.20 CSCCNC(C)c1cccc(c1)F 269862a_100020590264_100000187083 [0,1,0,0,1,0|2,0,0]=4 4982 B14R1.20 CSCCNC(C)c1cccc(c1)I 269862a_100020590264_100011356966 [0,1,0,0,1,0|2,0,0]=4 4983 B14R1.20 CSCCNC(C)c1cccc(c1)O 2230a_100000740644_100000751147 [0,1,0,0,1,0|2,0,0]=4 4984 B14R1.20 CSCCNC(C)c1cccc(c1)O 269862a_100020590264_100000211620 [0,1,0,0,1,0|2,0,0]=4 4985 B14R1.20 CSCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000751147 [0,1,0,0,1,0|2,0,0]=4 4986 B14R1.20 CSCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000212216 [0,1,0,0,1,0|2,0,0]=4 4987 B14R1.20 CSCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000751147 [0,1,0,0,1,0|2,0,0]=4 4988 B14R1.20 CSCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000212216 [0,1,0,0,1,0|2,0,0]=4 4989 B14R1.20 C[C@@H](NCCC#N)c1cccc(c1)F 2230a_100015193778_100011215226 [0,1,0,0,1,0|0,0,0]=2 4990 B14R1.20 C[C@@H](NCCC#N)c1cncc(c1)Br 2230a_100012350620_100011215226 [0,1,0,0,1,0|1,0,0]=3 4991 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)F 2230a_100015193778_100011934791 [0,1,0,0,1,0|1,0,1]=4 4992 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)F 34a_100015193778_100011934791 [0,1,0,0,1,0|1,0,1]=4 4993 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)F 2230a_100015193778_100000230001 [0,1,0,0,1,0|1,0,1]=4 4994 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)F 34a_100015193778_100000230001 [0,1,0,0,1,0|1,0,1]=4 4995 B14R1.20 C[C@@H](OCCC#N)c1cccc(c1)Cl 7a_100000747380_100000184422 [0,1,0,0,1,0|1,0,0]=3 4996 B14R1.20 C[C@H](NCCC#N)c1cccc(n1)F 2230a_100025709760_100011215226 [0,1,0,0,1,0|1,0,0]=3 4997 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 11a_100000720768_100000189346 [0,1,0,0,1,0|1,0,1]=4 4998 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 1626a_100000720768_100000189346 [0,1,0,0,1,0|1,0,1]=4 4999 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 240690a_100000720768_100000189346 [0,1,0,0,1,0|1,0,1]=4 5000 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 527a_100000720768_100000189346 [0,1,0,0,1,0|1,0,1]=4 5001 B14R1.20 Cc1cccc(c1)C(C)NCCCF 269862a_100015189416_100000211476 [0,1,0,0,1,0|1,0,1]=4 5002 B14R1.20 Cc1cccc(c1)C(C)NCCCO 269862a_100000182051_100000211476 [0,1,0,0,1,0|1,0,1]=4 5003 B14R1.20 Cc1cccc(c1)C(C)OCCC#N 7a_100000757818_100000184422 [0,1,0,0,1,0|1,0,0]=3 5004 B14R1.20 Cc1cccc(c1)N(C)CCCC#N 2230a_100000219674_100000687738 [0,1,0,0,1,0|2,0,0]=4 5005 B14R1.20 Cc1cccc(c1)N(C)CCCC#N 269982a_100000219674_100000687738 [0,1,0,0,1,0|2,0,0]=4 5006 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCC#N 2230a_100000698126_100011215226 [0,1,0,0,1,0|0,0,0]=2 5007 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCF 2230a_100000698126_100011934791 [0,1,0,0,1,0|1,0,1]=4 5008 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCF 34a_100000698126_100011934791 [0,1,0,0,1,0|1,0,1]=4 5009 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCO 2230a_100000698126_100000230001 [0,1,0,0,1,0|1,0,1]=4 5010 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCO 34a_100000698126_100000230001 [0,1,0,0,1,0|1,0,1]=4 5011 B14R1.20 Cc1cccc(n1)C(C)NCCC#N 2230a_100011877385_100011215226 [0,1,0,0,1,0|1,0,0]=3 5012 B14R1.20 Cc1cccc(n1)C(C)OCCC#N 7a_200011877368_100000184422 [0,1,0,0,1,0|2,0,0]=4 5013 B14R1.20 Cc1ccnc(c1)C(C)NCCC#N 2230a_100011933787_100011215226 [0,1,0,0,1,0|1,0,0]=3 5014 B14R1.20 Cc1ccnc(c1)C(C)NCCC#N 270004a_100000720768_100000728896 [0,1,0,0,1,0|1,0,0]=3 5015 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 11a_100000720768_100000210664 [0,1,0,0,1,0|1,0,1]=4 5016 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 1626a_100000720768_100000210664 [0,1,0,0,1,0|1,0,1]=4 5017 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 240690a_100000720768_100000210664 [0,1,0,0,1,0|1,0,1]=4 5018 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 527a_100000720768_100000210664 [0,1,0,0,1,0|1,0,1]=4 5019 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 11a_100000720768_100000210390 [0,1,0,0,1,0|1,0,1]=4 5020 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 1626a_100000720768_100000210390 [0,1,0,0,1,0|1,0,1]=4 5021 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 240690a_100000720768_100000210390 [0,1,0,0,1,0|1,0,1]=4 5022 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 527a_100000720768_100000210390 [0,1,0,0,1,0|1,0,1]=4 5023 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 11a_100000720768_100000210950 [0,1,0,0,1,0|1,0,1]=4 5024 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 1626a_100000720768_100000210950 [0,1,0,0,1,0|1,0,1]=4 5025 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 240690a_100000720768_100000210950 [0,1,0,0,1,0|1,0,1]=4 5026 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 527a_100000720768_100000210950 [0,1,0,0,1,0|1,0,1]=4 5027 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 11a_100000720768_100000184098 [0,1,0,0,1,0|1,0,1]=4 5028 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 1626a_100000720768_100000184098 [0,1,0,0,1,0|1,0,1]=4 5029 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 240690a_100000720768_100000184098 [0,1,0,0,1,0|1,0,1]=4 5030 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 527a_100000720768_100000184098 [0,1,0,0,1,0|1,0,1]=4 5031 B14R1.20 N#CCCNC(=O)c1cccc(c1)O 240690a_100000720768_100000183914 [0,1,0,0,1,0|1,0,1]=4 5032 B14R1.20 N#CCCNC(=O)c1cccc(c1)O 527a_100000720768_100000183914 [0,1,0,0,1,0|1,0,1]=4 5033 B14R1.29 C#CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100011220946 [0,1,0,0,1,0|1,0,1]=4 5034 B14R1.29 C#CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100011220946 [0,1,0,0,1,0|1,0,1]=4 5035 B14R1.29 C#CCC(C)OC(C)c1ccccc1 34a_100000685586_100000211855 [0,1,0,0,1,0|2,0,0]=4 5036 B14R1.29 C#CCC(C)OC(C)c1ccccc1 7a_100000685586_100000230085 [0,1,0,0,1,0|2,0,0]=4 5037 B14R1.29 CC(CC#N)NC(C)c1ccccn1 2230a_100000181244_100009813641 [0,1,0,0,1,0|1,0,0]=3 5038 B14R1.29 CC(CC#N)NC(C)c1cccnc1 2230a_100000195435_100009813641 [0,1,0,0,1,0|1,0,0]=3 5039 B14R1.29 CC(CC#N)NC(C)c1ccncc1 2230a_100000181269_100009813641 [0,1,0,0,1,0|1,0,0]=3 5040 B14R1.29 CC(CC#N)NC(C)c1ncccn1 2230a_100020641698_100009813641 [0,1,0,0,1,0|2,0,0]=4 5041 B14R1.29 CC(CC#N)N[C@H](C)c1ccccc1 2230a_100000751104_100009813641 [0,1,0,0,1,0|0,0,0]=2 5042 B14R1.29 CC(CC#N)N[C@H](C)c1cnccn1 2230a_100020589798_100009813641 [0,1,0,0,1,0|2,0,0]=4 5043 B14R1.29 CC(CC#N)O[C@H](C)c1ccccc1 7a_100000761318_100009813641 [0,1,0,0,1,0|1,0,0]=3 5044 B14R1.29 CC(CC#N)SC(C)c1ccccc1 62a_100000230085_100009813641 [0,1,0,0,1,0|1,0,0]=3 5045 B14R1.29 CC(CC#N)SC(C)c1ccccc1 62a_100009813641_100000230085 [0,1,0,0,1,0|1,0,0]=3 5046 B14R1.29 CC(CC(=O)CC#N)c1ccccc1 1458a_100000183687_100011214920 [0,1,0,0,1,0|1,0,1]=4 5047 B14R1.29 CC(CC(=O)CC#N)c1ccccc1 1458a_100051588842_100000756946 [0,1,0,0,1,0|1,0,1]=4 5048 B14R1.29 CC(CCO)N[C@H](C)c1ccccc1 2230a_100000751104_100009893172 [0,1,0,0,1,0|1,0,1]=4 5049 B14R1.29 CC(CN(C)CC#N)c1ccccc1 2230a_100000748184_100000756946 [0,1,0,0,1,0|2,0,0]=4 5050 B14R1.29 CC(NC(=O)CC#N)c1ccccn1 1626a_100000181244_100051588842 [0,1,0,0,1,0|1,0,1]=4 5051 B14R1.29 CC(NC(=O)CC#N)c1ccccn1 240690a_100000181244_100051588842 [0,1,0,0,1,0|1,0,1]=4 5052 B14R1.29 CC(NC(=O)CC#N)c1cccnc1 240690a_100000195435_100051588842 [0,1,0,0,1,0|1,0,1]=4 5053 B14R1.29 CC(NC(=O)CC#N)c1ccncc1 240690a_100000181269_100051588842 [0,1,0,0,1,0|1,0,1]=4 5054 B14R1.29 CC(N[C@@H](C)CC#N)c1ccccc1 2230a_100016994482_100000230085 [0,1,0,0,1,0|0,0,0]=2 5055 B14R1.29 CC(N[C@@H](C)CC#N)c1cnccn1 2230a_100016994482_200000703233 [0,1,0,0,1,0|2,0,0]=4 5056 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000230085 [0,1,0,0,1,0|1,0,1]=4 5057 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 269862a_100000706166_100000185851 [0,1,0,0,1,0|1,0,1]=4 5058 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 34a_100000706166_100000211855 [0,1,0,0,1,0|1,0,1]=4 5059 B14R1.29 CCCC(C)NC(C)c1ccccc1 2230a_100000741246_100000230085 [0,1,0,0,1,0|1,0,1]=4 5060 B14R1.29 CCCC(C)NC(C)c1ccccc1 269862a_100000741246_100000185851 [0,1,0,0,1,0|1,0,1]=4 5061 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000766640 [0,1,0,0,1,0|1,0,1]=4 5062 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000211909 [0,1,0,0,1,0|1,0,1]=4 5063 B14R1.29 CN(C[C@@H](O)CC#N)c1ccccc1 2230a_100000210012_100000001066 [0,1,0,0,1,0|2,0,0]=4 5064 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000765312 [0,1,0,0,1,0|2,0,0]=4 5065 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000749346 [0,1,0,0,1,0|2,0,0]=4 5066 B14R1.29 COC[C@@H](C)NC(C)c1ccccc1 2230a_100000764878_100000230085 [0,1,0,0,1,0|2,0,0]=4 5067 B14R1.29 COC[C@@H](C)NC(C)c1ccccc1 269862a_100000764878_100000185851 [0,1,0,0,1,0|2,0,0]=4 5068 B14R1.29 CSCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100011216314 [0,1,0,0,1,0|2,0,0]=4 5069 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 11a_100016994482_100000185807 [0,1,0,0,1,0|1,0,1]=4 5070 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 1626a_100016994482_100000185807 [0,1,0,0,1,0|1,0,1]=4 5071 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 240690a_100016994482_100000185807 [0,1,0,0,1,0|1,0,1]=4 5072 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 527a_100016994482_100000185807 [0,1,0,0,1,0|1,0,1]=4 5073 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccccc1 1626a_100000751104_100051588842 [0,1,0,0,1,0|0,0,1]=3 5074 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccccc1 240690a_100000751104_100051588842 [0,1,0,0,1,0|0,0,1]=3 5075 B14R1.46 C#CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000688953 [0,1,0,0,1,0|1,0,0]=3 5076 B14R1.46 C#CCCNC(C)(C)c1ccccn1 2230a_100011999416_100000688953 [0,1,0,0,1,0|2,0,0]=4 5077 B14R1.46 C#CCCNC(C)(C)c1cccnc1 2230a_100011376175_100000688953 [0,1,0,0,1,0|2,0,0]=4 5078 B14R1.46 C#CCCOC(C)(C)c1ccccc1 7a_100000694644_100000688953 [0,1,0,0,1,0|2,0,0]=4 5079 B14R1.46 C#CCCSC(C)(C)c1ccccc1 62a_100000034625_100000688953 [0,1,0,0,1,0|2,0,0]=4 5080 B14R1.46 C#CCCSC(C)(C)c1ccccc1 62a_100000688953_100000034625 [0,1,0,0,1,0|2,0,0]=4 5081 B14R1.46 C=CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000754431 [0,1,0,0,1,0|1,0,1]=4 5082 B14R1.46 C=CCCNC(C)(C)c1ccccc1 2230a_100015191253_100000034625 [0,1,0,0,1,0|1,0,1]=4 5083 B14R1.46 CC#CCNC(C)(C)c1ccccc1 2230a_100000685387_100000034625 [0,1,0,0,1,0|1,0,1]=4 5084 B14R1.46 CC#CCNC(C)(C)c1ccccc1 2230a_100011218174_100000748600 [0,1,0,0,1,0|1,0,1]=4 5085 B14R1.46 CC(C)(CNCC#N)c1ccccc1 2230a_100011211644_100011215382 [0,1,0,0,1,0|2,0,0]=4 5086 B14R1.46 CC(C)(COCC#N)c1ccccc1 7a_100000747608_100011215382 [0,1,0,0,1,0|2,0,0]=4 5087 B14R1.46 CC(C)(CSCC#N)c1ccccc1 62a_100000703224_100011215382 [0,1,0,0,1,0|2,0,0]=4 5088 B14R1.46 CC(C)(CSCC#N)c1ccccc1 62a_100011215382_100000703224 [0,1,0,0,1,0|2,0,0]=4 5089 B14R1.46 CC(C)(NCCC#N)c1ccccc1 2230a_100011218174_100011215226 [0,1,0,0,1,0|0,0,0]=2 5090 B14R1.46 CC(C)(NCCC#N)c1ccccn1 2230a_100011999416_100011215226 [0,1,0,0,1,0|1,0,0]=3 5091 B14R1.46 CC(C)(NCCC#N)c1cccnc1 2230a_100011376175_100011215226 [0,1,0,0,1,0|1,0,0]=3 5092 B14R1.46 CC(C)(NCCCF)c1ccccc1 2230a_100011218174_100011934791 [0,1,0,0,1,0|1,0,1]=4 5093 B14R1.46 CC(C)(NCCCF)c1ccccc1 2230a_100015189416_100000034625 [0,1,0,0,1,0|1,0,1]=4 5094 B14R1.46 CC(C)(NCCCO)c1ccccc1 2230a_100011218174_100000230001 [0,1,0,0,1,0|1,0,1]=4 5095 B14R1.46 CC(C)(OCCC#N)c1ccccc1 7a_100000694644_100000184422 [0,1,0,0,1,0|1,0,0]=3 5096 B14R1.46 CC(C)(OCCC#N)c1ccccn1 7a_100000041474_100000184422 [0,1,0,0,1,0|2,0,0]=4 5097 B14R1.46 CC(C)(SCCC#N)c1ccccc1 62a_100000034625_100011215226 [0,1,0,0,1,0|1,0,0]=3 5098 B14R1.46 CC(C)(SCCC#N)c1ccccc1 62a_100011215226_100000034625 [0,1,0,0,1,0|1,0,0]=3 5099 B14R1.46 CC(C)(SCSC#N)c1ccccc1 62a_100000034625_100000211825 [0,1,0,0,1,0|2,0,0]=4 5100 B14R1.46 CC(C)(SCSC#N)c1ccccc1 62a_100000211825_100000034625 [0,1,0,0,1,0|2,0,0]=4 5101 B14R1.46 CC(O)(CNCC#N)c1ccccc1 2230a_100011660926_100011215382 [0,1,0,0,1,0|2,0,0]=4 5102 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100000102301_100000034625 [0,1,0,0,1,0|1,0,1]=4 5103 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210211 [0,1,0,0,1,0|1,0,1]=4 5104 B14R1.46 COCCNC(C)(C)c1ccccc1 2230a_100000209980_100000034625 [0,1,0,0,1,0|2,0,0]=4 5105 B14R1.46 COCCNC(C)(C)c1ccccc1 2230a_100011218174_100011201679 [0,1,0,0,1,0|2,0,0]=4 5106 B14R1.46 CSCCNC(C)(C)c1ccccc1 2230a_100011218174_100000751147 [0,1,0,0,1,0|2,0,0]=4 5107 B14R1.46 CSCCNC(C)(C)c1ccccc1 2230a_100020590264_100000034625 [0,1,0,0,1,0|2,0,0]=4 5108 B14R1.46 N#CCCNS(=O)(=O)c1ccccc1 274078a_100000720768_100000210345 [0,1,0,0,1,0|2,0,0]=4 5109 B14R1.46 N#CCCNS(=O)(=O)c1ccccc1 40a_100000720768_100000032697 [0,1,0,0,1,0|2,0,0]=4 5110 B14R1.46 N#CCCSC(F)(F)c1ccccc1 62a_100011215226_100000036403 [0,1,0,0,1,0|2,0,0]=4 5111 B14R1.121 C#CC(OCCC#N)c1ccccc1 7a_100011219616_100000184422 [0,1,0,0,1,0|1,0,1]=4 5112 B14R1.121 C#CCCNC(CC)c1ccccc1 2230a_100000737752_100000688953 [0,1,0,0,1,0|1,0,0]=3 5113 B14R1.121 C#CCCNC(CC)c1ccccn1 2230a_100015186561_100000688953 [0,1,0,0,1,0|2,0,0]=4 5114 B14R1.121 C#CCCNC(CC)c1cccnc1 2230a_100000246009_100000688953 [0,1,0,0,1,0|2,0,0]=4 5115 B14R1.121 C#CCCNC(CO)c1ccccn1 2230a_100015196888_100000688953 [0,1,0,0,1,0|2,0,0]=4 5116 B14R1.121 C#CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000688953 [0,1,0,0,1,0|1,0,0]=3 5117 B14R1.121 C#CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000688953 [0,1,0,0,1,0|1,0,0]=3 5118 B14R1.121 C#CCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000688953 [0,1,0,0,1,0|2,0,0]=4 5119 B14R1.121 C#CCCOC(CBr)c1ccccc1 7a_100000185958_100000688953 [0,1,0,0,1,0|2,0,0]=4 5120 B14R1.121 C#CCCOC(CC)c1ccccc1 34a_100000698172_100000688953 [0,1,0,0,1,0|2,0,0]=4 5121 B14R1.121 C#CCCOC(CC)c1ccccc1 7a_100000698172_100000688953 [0,1,0,0,1,0|2,0,0]=4 5122 B14R1.121 C#CCCOC(CN)c1ccccc1 34a_100000210709_100000688953 [0,1,0,0,1,0|2,0,0]=4 5123 B14R1.121 C#CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000688953 [0,1,0,0,1,0|2,0,0]=4 5124 B14R1.121 C#CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000688953 [0,1,0,0,1,0|2,0,0]=4 5125 B14R1.121 C=CC(OCCC#N)c1ccccc1 7a_100011215659_100000184422 [0,1,0,0,1,0|1,0,1]=4 5126 B14R1.121 C=CC(SCCC#N)c1ccccc1 62a_100011215226_200000085779 [0,1,0,0,1,0|1,0,1]=4 5127 B14R1.121 C=CC(SCCC#N)c1ccccc1 62a_200000085779_100011215226 [0,1,0,0,1,0|1,0,1]=4 5128 B14R1.121 C=CCCNC(CC)c1ccccc1 2230a_100000737752_100000754431 [0,1,0,0,1,0|1,0,1]=4 5129 B14R1.121 C=CCCNC(CC)c1ccccc1 269862a_100015191253_100000210124 [0,1,0,0,1,0|1,0,1]=4 5130 B14R1.121 C=CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000754431 [0,1,0,0,1,0|1,0,1]=4 5131 B14R1.121 C=CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000754431 [0,1,0,0,1,0|1,0,1]=4 5132 B14R1.121 CC#CCNC(CC)c1ccccc1 2230a_100000737752_100000748600 [0,1,0,0,1,0|1,0,1]=4 5133 B14R1.121 CC#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000748600 [0,1,0,0,1,0|1,0,1]=4 5134 B14R1.121 CC#CCN[C@H](CO)c1ccccc1 34a_100000751927_100000748600 [0,1,0,0,1,0|1,0,1]=4 5135 B14R1.121 CCC(COCC#N)c1ccccc1 7a_100000752371_100011215382 [0,1,0,0,1,0|2,0,0]=4 5136 B14R1.121 CCC(NCCC#N)c1ccccc1 2230a_100000737752_100011215226 [0,1,0,0,1,0|0,0,0]=2 5137 B14R1.121 CCC(NCCC#N)c1ccccn1 2230a_100015186561_100011215226 [0,1,0,0,1,0|1,0,0]=3 5138 B14R1.121 CCC(NCCC#N)c1cccnc1 2230a_100000246009_100011215226 [0,1,0,0,1,0|1,0,0]=3 5139 B14R1.121 CCC(NCCC#N)c1cnccn1 2230a_200016994365_100011215226 [0,1,0,0,1,0|2,0,0]=4 5140 B14R1.121 CCC(NCCC#N)c1ncccn1 270004a_100000720768_200011350823 [0,1,0,0,1,0|2,0,0]=4 5141 B14R1.121 CCC(NCCCF)c1ccccc1 2230a_100000737752_100011934791 [0,1,0,0,1,0|1,0,1]=4 5142 B14R1.121 CCC(NCCCF)c1ccccc1 269862a_100015189416_100000210124 [0,1,0,0,1,0|1,0,1]=4 5143 B14R1.121 CCC(NCCCO)c1ccccc1 2230a_100000737752_100000230001 [0,1,0,0,1,0|1,0,1]=4 5144 B14R1.121 CCC(NCCCO)c1ccccc1 269862a_100000182051_100000210124 [0,1,0,0,1,0|1,0,1]=4 5145 B14R1.121 CCC(NCCOC)c1ccccc1 2230a_100000737752_100011201679 [0,1,0,0,1,0|2,0,0]=4 5146 B14R1.121 CCC(NCCOC)c1ccccc1 269862a_100000209980_100000210124 [0,1,0,0,1,0|2,0,0]=4 5147 B14R1.121 CCC(NCCSC)c1ccccc1 2230a_100000737752_100000751147 [0,1,0,0,1,0|2,0,0]=4 5148 B14R1.121 CCC(NCCSC)c1ccccc1 269862a_100020590264_100000210124 [0,1,0,0,1,0|2,0,0]=4 5149 B14R1.121 CCC(OCCC#N)c1ccccc1 7a_100000698172_100000184422 [0,1,0,0,1,0|1,0,0]=3 5150 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,1,0,0,1,0|1,0,1]=4 5151 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,1,0,0,1,0|1,0,1]=4 5152 B14R1.121 CCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210211 [0,1,0,0,1,0|1,0,1]=4 5153 B14R1.121 CCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210210 [0,1,0,0,1,0|1,0,1]=4 5154 B14R1.121 CCN(CCCC#N)c1ccccc1 2230a_100000210013_100000687738 [0,1,0,0,1,0|2,0,0]=4 5155 B14R1.121 CCN(CCCC#N)c1ccccc1 269982a_100000210013_100000687738 [0,1,0,0,1,0|2,0,0]=4 5156 B14R1.121 COC(COCC#N)c1ccccc1 7a_100011215540_100011215382 [0,1,0,0,1,0|2,0,0]=4 5157 B14R1.121 COCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011201679 [0,1,0,0,1,0|2,0,0]=4 5158 B14R1.121 COCCN[C@H](CO)c1ccccc1 34a_100000751927_100011201679 [0,1,0,0,1,0|2,0,0]=4 5159 B14R1.121 CSCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000751147 [0,1,0,0,1,0|2,0,0]=4 5160 B14R1.121 CSCCN[C@H](CO)c1ccccc1 34a_100000751927_100000212216 [0,1,0,0,1,0|2,0,0]=4 5161 B14R1.121 N#CCCNC(CO)c1ccccn1 2230a_100015196888_100011215226 [0,1,0,0,1,0|1,0,0]=3 5162 B14R1.121 N#CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215226 [0,1,0,0,1,0|0,0,0]=2 5163 B14R1.121 N#CCCN[C@H](CO)c1ccncc1 2230a_100138412524_100011215226 [0,1,0,0,1,0|1,0,0]=3 5164 B14R1.121 N#CCCOC(C#N)c1ccccc1 7a_100011217353_100000184422 [0,1,0,0,1,0|1,0,1]=4 5165 B14R1.121 N#CCCOC(CBr)c1ccccc1 7a_100000185958_100000184422 [0,1,0,0,1,0|1,0,0]=3 5166 B14R1.121 N#CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000184422 [0,1,0,0,1,0|1,0,0]=3 5167 B14R1.121 OCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000230001 [0,1,0,0,1,0|1,0,1]=4 5168 B14R1.121 OCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000230001 [0,1,0,0,1,0|1,0,1]=4 5169 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 2230a_100000751927_100011934791 [0,1,0,0,1,0|1,0,1]=4 5170 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 34a_100000751927_100011934791 [0,1,0,0,1,0|1,0,1]=4 5171 B14R1.163 C=C(C#N)CNC(C)c1ccccn1 2230a_100000181244_100000694840 [0,1,0,0,1,0|1,0,1]=4 5172 B14R1.163 C=C(C#N)CNC(C)c1cccnc1 2230a_100000195435_100000694840 [0,1,0,0,1,0|1,0,1]=4 5173 B14R1.163 C=C(C#N)CNC(C)c1ccncc1 2230a_100000181269_100000694840 [0,1,0,0,1,0|1,0,1]=4 5174 B14R1.163 C=C(C#N)CN[C@H](C)c1ccccc1 2230a_100000751104_100000694840 [0,1,0,0,1,0|0,0,1]=3 5175 B14R1.163 C=C(C#N)CO[C@H](C)c1ccccc1 34a_100000761318_100000694840 [0,1,0,0,1,0|1,0,1]=4 5176 B14R1.163 C=C(C#N)CSC(C)c1ccccc1 62a_100000230085_100000694840 [0,1,0,0,1,0|1,0,1]=4 5177 B14R1.163 C=CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000730141 [0,1,0,0,1,0|1,0,1]=4 5178 B14R1.163 CC(C#N)NCC(C)c1ccccc1 2230a_100000701038_100000184139 [0,1,0,0,1,0|2,0,0]=4 5179 B14R1.163 CC(C#N)NCC(C)c1ccccc1 2230a_100000737613_100000756946 [0,1,0,0,1,0|2,0,0]=4 5180 B14R1.163 CC(C#N)OCC(C)c1ccccc1 34a_100011218135_100000756946 [0,1,0,0,1,0|2,0,0]=4 5181 B14R1.163 CC(C#N)OCC(C)c1ccccc1 7a_100011215166_100000703298 [0,1,0,0,1,0|2,0,0]=4 5182 B14R1.163 CC(C#N)SCC(C)c1ccccc1 62a_100000703298_100000756946 [0,1,0,0,1,0|2,0,0]=4 5183 B14R1.163 CC(C#N)SCC(C)c1ccccc1 62a_100000756946_100000703298 [0,1,0,0,1,0|2,0,0]=4 5184 B14R1.163 CC(CO)CNC(C)c1ccccc1 269862a_100000744482_100000185851 [0,1,0,0,1,0|1,0,1]=4 5185 B14R1.163 CC(CO)CNC(C)c1ccccc1 34a_100000744482_100000211855 [0,1,0,0,1,0|1,0,1]=4 5186 B14R1.163 CC(CSC(F)C#N)c1ccccc1 62a_100000756946_200000117898 [0,1,0,0,1,0|2,0,0]=4 5187 B14R1.163 CC(CSC(F)C#N)c1ccccc1 62a_200000117898_100000756946 [0,1,0,0,1,0|2,0,0]=4 5188 B14R1.163 CC(NC[C@@H](F)CO)c1ccccc1 269862a_100015665980_100000185851 [0,1,0,0,1,0|1,0,1]=4 5189 B14R1.163 CC(NC[C@@H](F)CO)c1ccccc1 34a_100015665980_100000211855 [0,1,0,0,1,0|1,0,1]=4 5190 B14R1.163 CC(NC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000230085 [0,1,0,0,1,0|1,0,1]=4 5191 B14R1.163 CC(NC[C@H](O)CO)c1ccccc1 269862a_100020644852_100000185851 [0,1,0,0,1,0|1,0,1]=4 5192 B14R1.163 CCC(C)CNC(C)c1ccccc1 2230a_100020588543_100000230085 [0,1,0,0,1,0|1,0,1]=4 5193 B14R1.163 CCC(C)CNC(C)c1ccccc1 269862a_100020588543_100000185851 [0,1,0,0,1,0|1,0,1]=4 5194 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748023 [0,1,0,0,1,0|1,0,1]=4 5195 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000243153 [0,1,0,0,1,0|1,0,1]=4 5196 B14R1.163 CCC(O)CNC(C)c1ccccc1 2230a_100011218483_100000230085 [0,1,0,0,1,0|1,0,1]=4 5197 B14R1.163 CCC(O)CNC(C)c1ccccc1 269862a_100011218483_100000185851 [0,1,0,0,1,0|1,0,1]=4 5198 B14R1.163 CCC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218378 [0,1,0,0,1,0|1,0,1]=4 5199 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 2230a_100000751104_100009816398 [0,1,0,0,1,0|1,0,1]=4 5200 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 2230a_100020591295_100000230085 [0,1,0,0,1,0|2,0,0]=4 5201 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 269862a_100020591295_100000185851 [0,1,0,0,1,0|2,0,0]=4 5202 B14R1.163 C[C@@H](CO)CN[C@H](C)c1ccccc1 2230a_100000751104_100000059175 [0,1,0,0,1,0|1,0,1]=4 5203 B14R1.163 C[C@@H](NCC(O)CO)c1ccccc1 2230a_100000751104_100011219619 [0,1,0,0,1,0|1,0,1]=4 5204 B14R1.163 C[C@@H](NC[C@@H](O)CF)c1ccccc1 2230a_100000751104_100015614560 [0,1,0,0,1,0|1,0,1]=4 5205 B14R1.163 C[C@@H](NC[C@@H](O)CO)c1ccccc1 2230a_100000751104_100009815848 [0,1,0,0,1,0|1,0,1]=4 5206 B14R1.420 C=C(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000730704 [0,1,0,0,1,0|1,0,1]=4 5207 B14R1.420 CC(C)CCNC(C)c1ccccc1 269862a_100000210545_100000185851 [0,1,0,0,1,0|1,0,1]=4 5208 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210312 [0,1,0,0,1,0|1,0,1]=4 5209 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 269862a_100000751104_100000185833 [0,1,0,0,1,0|1,0,1]=4 5210 B14R1.420 CC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000185851 [0,1,0,0,1,0|0,0,2]=4 5211 B14R1.420 CC(NCCN(C)C)c1ccccc1 269862a_100000210585_100000185851 [0,1,0,0,1,0|2,0,0]=4 5212 B14R1.420 CC(O)CCNC(C)c1ccccc1 2230a_200000755665_100000230085 [0,1,0,0,1,0|1,0,1]=4 5213 B14R1.420 CC(O)CCNC(C)c1ccccc1 269862a_200000755665_100000185851 [0,1,0,0,1,0|1,0,1]=4 5214 B14R1.420 CC(O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100012276601 [0,1,0,0,1,0|1,0,1]=4 5215 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 2230a_100000751104_100000744528 [0,1,0,0,1,0|0,0,2]=4 5216 B14R1.1035 C#CCCNC(C)c1ccccc1Br 2230a_100000181357_100000688953 [0,1,0,0,1,0|1,0,0]=3 5217 B14R1.1035 C#CCCNC(C)c1ccccc1C 2230a_100000181355_100000688953 [0,1,0,0,1,0|1,0,0]=3 5218 B14R1.1035 C#CCCNC(C)c1ccccc1C 34a_100000181355_100000688953 [0,1,0,0,1,0|1,0,0]=3 5219 B14R1.1035 C#CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000688953 [0,1,0,0,1,0|1,0,0]=3 5220 B14R1.1035 C#CCCNC(C)c1ccccc1Cl 34a_100000174978_100000688953 [0,1,0,0,1,0|1,0,0]=3 5221 B14R1.1035 C#CCCNC(C)c1ccccc1F 2230a_100000181408_100000688953 [0,1,0,0,1,0|1,0,0]=3 5222 B14R1.1035 C#CCCNC(C)c1ccccc1F 34a_100000181408_100000688953 [0,1,0,0,1,0|1,0,0]=3 5223 B14R1.1035 C#CCCNC(C)c1ccccc1F 34a_100000755551_200000741388 [0,1,0,0,1,0|1,0,0]=3 5224 B14R1.1035 C#CCCNC(C)c1cccnc1O 2230a_100159269580_100000688953 [0,1,0,0,1,0|2,0,0]=4 5225 B14R1.1035 C#CCCNC(C)c1ncccc1Br 2230a_100159271932_100000688953 [0,1,0,0,1,0|2,0,0]=4 5226 B14R1.1035 C#CCCNC(C)c1ncccc1C 2230a_100011536111_100000688953 [0,1,0,0,1,0|2,0,0]=4 5227 B14R1.1035 C#CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000688953 [0,1,0,0,1,0|1,0,0]=3 5228 B14R1.1035 C#CCCOC(C)c1ccccc1Br 34a_100000702211_100000688953 [0,1,0,0,1,0|2,0,0]=4 5229 B14R1.1035 C#CCCOC(C)c1ccccc1Br 7a_100000702211_100000688953 [0,1,0,0,1,0|2,0,0]=4 5230 B14R1.1035 C#CCCOC(C)c1ccccc1C 34a_100000742021_100000688953 [0,1,0,0,1,0|2,0,0]=4 5231 B14R1.1035 C#CCCOC(C)c1ccccc1C 7a_100000742021_100000688953 [0,1,0,0,1,0|2,0,0]=4 5232 B14R1.1035 C#CCCOC(C)c1ccccc1Cl 34a_100000740796_100000688953 [0,1,0,0,1,0|2,0,0]=4 5233 B14R1.1035 C#CCCOC(C)c1ccccc1Cl 7a_100000740796_100000688953 [0,1,0,0,1,0|2,0,0]=4 5234 B14R1.1035 C#CCCOC(C)c1ccccc1F 34a_100000697922_100000688953 [0,1,0,0,1,0|2,0,0]=4 5235 B14R1.1035 C#CCCOC(C)c1ccccc1F 34a_100011215631_200000741388 [0,1,0,0,1,0|2,0,0]=4 5236 B14R1.1035 C#CCCOC(C)c1ccccc1F 7a_100000697922_100000688953 [0,1,0,0,1,0|2,0,0]=4 5237 B14R1.1035 C#CCCOC(C)c1ccccc1N 7a_100011405641_100000688953 [0,1,0,0,1,0|2,0,0]=4 5238 B14R1.1035 C#CCCSC(C)c1ccccc1Cl 62a_100000181259_100000688953 [0,1,0,0,1,0|2,0,0]=4 5239 B14R1.1035 C#CCCSC(C)c1ccccc1Cl 62a_100000688953_100000181259 [0,1,0,0,1,0|2,0,0]=4 5240 B14R1.1035 C#CCCSC(C)c1ccccc1F 62a_100000688953_200000741388 [0,1,0,0,1,0|2,0,0]=4 5241 B14R1.1035 C#CCCSC(C)c1ccccc1F 62a_200000741388_100000688953 [0,1,0,0,1,0|2,0,0]=4 5242 B14R1.1035 C=CCCNC(C)c1ccccc1Br 2230a_100000181357_100000754431 [0,1,0,0,1,0|1,0,1]=4 5243 B14R1.1035 C=CCCNC(C)c1ccccc1Br 269862a_100015191253_100000187085 [0,1,0,0,1,0|1,0,1]=4 5244 B14R1.1035 C=CCCNC(C)c1ccccc1C 2230a_100000181355_100000754431 [0,1,0,0,1,0|1,0,1]=4 5245 B14R1.1035 C=CCCNC(C)c1ccccc1C 269862a_100015191253_100000211656 [0,1,0,0,1,0|1,0,1]=4 5246 B14R1.1035 C=CCCNC(C)c1ccccc1C 34a_100000181355_100000754431 [0,1,0,0,1,0|1,0,1]=4 5247 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000754431 [0,1,0,0,1,0|1,0,1]=4 5248 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 2230a_100015191253_100000181259 [0,1,0,0,1,0|1,0,1]=4 5249 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 269862a_100015191253_100000210134 [0,1,0,0,1,0|1,0,1]=4 5250 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 34a_100000174978_100000754431 [0,1,0,0,1,0|1,0,1]=4 5251 B14R1.1035 C=CCCNC(C)c1ccccc1F 2230a_100000181408_100000754431 [0,1,0,0,1,0|1,0,1]=4 5252 B14R1.1035 C=CCCNC(C)c1ccccc1F 2230a_100015191253_200000741388 [0,1,0,0,1,0|1,0,1]=4 5253 B14R1.1035 C=CCCNC(C)c1ccccc1F 269862a_100015191253_100000210632 [0,1,0,0,1,0|1,0,1]=4 5254 B14R1.1035 C=CCCNC(C)c1ccccc1F 34a_100000181408_100000754431 [0,1,0,0,1,0|1,0,1]=4 5255 B14R1.1035 C=CCCNC(C)c1ccccc1I 269862a_100015191253_100000751169 [0,1,0,0,1,0|1,0,1]=4 5256 B14R1.1035 C=CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000754431 [0,1,0,0,1,0|1,0,1]=4 5257 B14R1.1035 CC#CCNC(C)c1ccccc1Br 2230a_100000181357_100000748600 [0,1,0,0,1,0|1,0,1]=4 5258 B14R1.1035 CC#CCNC(C)c1ccccc1C 2230a_100000181355_100000748600 [0,1,0,0,1,0|1,0,1]=4 5259 B14R1.1035 CC#CCNC(C)c1ccccc1C 34a_100000181355_100000748600 [0,1,0,0,1,0|1,0,1]=4 5260 B14R1.1035 CC#CCNC(C)c1ccccc1Cl 2230a_100000174978_100000748600 [0,1,0,0,1,0|1,0,1]=4 5261 B14R1.1035 CC#CCNC(C)c1ccccc1Cl 2230a_100000685387_100000181259 [0,1,0,0,1,0|1,0,1]=4 5262 B14R1.1035 CC#CCNC(C)c1ccccc1Cl 34a_100000174978_100000748600 [0,1,0,0,1,0|1,0,1]=4 5263 B14R1.1035 CC#CCNC(C)c1ccccc1F 2230a_100000181408_100000748600 [0,1,0,0,1,0|1,0,1]=4 5264 B14R1.1035 CC#CCNC(C)c1ccccc1F 2230a_100000685387_200000741388 [0,1,0,0,1,0|1,0,1]=4 5265 B14R1.1035 CC#CCNC(C)c1ccccc1F 34a_100000181408_100000748600 [0,1,0,0,1,0|1,0,1]=4 5266 B14R1.1035 CC#CCNC(C)c1ccccc1F 34a_100000685387_200000741388 [0,1,0,0,1,0|1,0,1]=4 5267 B14R1.1035 CC#CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000748600 [0,1,0,0,1,0|1,0,1]=4 5268 B14R1.1035 CC(NCCC#N)c1ccccc1Br 2230a_100000181357_100011215226 [0,1,0,0,1,0|0,0,0]=2 5269 B14R1.1035 CC(NCCC#N)c1ccccc1Cl 2230a_100000174978_100011215226 [0,1,0,0,1,0|0,0,0]=2 5270 B14R1.1035 CC(NCCC#N)c1ccccc1F 2230a_100000181408_100011215226 [0,1,0,0,1,0|0,0,0]=2 5271 B14R1.1035 CC(NCCC#N)c1cccnc1O 2230a_100159269580_100011215226 [0,1,0,0,1,0|1,0,0]=3 5272 B14R1.1035 CC(NCCC#N)c1ncccc1Br 2230a_100159271932_100011215226 [0,1,0,0,1,0|1,0,0]=3 5273 B14R1.1035 CC(NCCCF)c1ccccc1Br 2230a_100000181357_100011934791 [0,1,0,0,1,0|1,0,1]=4 5274 B14R1.1035 CC(NCCCF)c1ccccc1Br 269862a_100015189416_100000187085 [0,1,0,0,1,0|1,0,1]=4 5275 B14R1.1035 CC(NCCCF)c1ccccc1Cl 2230a_100000174978_100011934791 [0,1,0,0,1,0|1,0,1]=4 5276 B14R1.1035 CC(NCCCF)c1ccccc1Cl 2230a_100015189416_100000181259 [0,1,0,0,1,0|1,0,1]=4 5277 B14R1.1035 CC(NCCCF)c1ccccc1Cl 269862a_100015189416_100000210134 [0,1,0,0,1,0|1,0,1]=4 5278 B14R1.1035 CC(NCCCF)c1ccccc1Cl 34a_100000174978_100011934791 [0,1,0,0,1,0|1,0,1]=4 5279 B14R1.1035 CC(NCCCF)c1ccccc1F 2230a_100000181408_100011934791 [0,1,0,0,1,0|1,0,1]=4 5280 B14R1.1035 CC(NCCCF)c1ccccc1F 2230a_100015189416_200000741388 [0,1,0,0,1,0|1,0,1]=4 5281 B14R1.1035 CC(NCCCF)c1ccccc1F 269862a_100015189416_100000210632 [0,1,0,0,1,0|1,0,1]=4 5282 B14R1.1035 CC(NCCCF)c1ccccc1F 34a_100000181408_100011934791 [0,1,0,0,1,0|1,0,1]=4 5283 B14R1.1035 CC(NCCCF)c1ccccc1F 34a_100015189416_200000741388 [0,1,0,0,1,0|1,0,1]=4 5284 B14R1.1035 CC(NCCCF)c1ccccc1I 269862a_100015189416_100000751169 [0,1,0,0,1,0|1,0,1]=4 5285 B14R1.1035 CC(NCCCO)c1ccccc1Br 2230a_100000181357_100000230001 [0,1,0,0,1,0|1,0,1]=4 5286 B14R1.1035 CC(NCCCO)c1ccccc1Br 269862a_100000182051_100000187085 [0,1,0,0,1,0|1,0,1]=4 5287 B14R1.1035 CC(NCCCO)c1ccccc1Cl 2230a_100000174978_100000230001 [0,1,0,0,1,0|1,0,1]=4 5288 B14R1.1035 CC(NCCCO)c1ccccc1Cl 269862a_100000182051_100000210134 [0,1,0,0,1,0|1,0,1]=4 5289 B14R1.1035 CC(NCCCO)c1ccccc1Cl 34a_100000174978_100000230001 [0,1,0,0,1,0|1,0,1]=4 5290 B14R1.1035 CC(NCCCO)c1ccccc1F 2230a_100000181408_100000230001 [0,1,0,0,1,0|1,0,1]=4 5291 B14R1.1035 CC(NCCCO)c1ccccc1F 269862a_100000182051_100000210632 [0,1,0,0,1,0|1,0,1]=4 5292 B14R1.1035 CC(NCCCO)c1ccccc1F 34a_100000181408_100000230001 [0,1,0,0,1,0|1,0,1]=4 5293 B14R1.1035 CC(NCCCO)c1ccccc1I 269862a_100000182051_100000751169 [0,1,0,0,1,0|1,0,1]=4 5294 B14R1.1035 CC(OCCC#N)c1ccccc1Br 7a_100000702211_100000184422 [0,1,0,0,1,0|1,0,0]=3 5295 B14R1.1035 CC(OCCC#N)c1ccccc1Cl 7a_100000740796_100000184422 [0,1,0,0,1,0|1,0,0]=3 5296 B14R1.1035 CC(OCCC#N)c1ccccc1F 7a_100000697922_100000184422 [0,1,0,0,1,0|1,0,0]=3 5297 B14R1.1035 CC(OCCC#N)c1ccccc1N 7a_100011405641_100000184422 [0,1,0,0,1,0|1,0,0]=3 5298 B14R1.1035 CC(OCCC#N)c1cccnc1Cl 7a_100009865335_100000184422 [0,1,0,0,1,0|2,0,0]=4 5299 B14R1.1035 CC(SCCC#N)c1ccccc1Cl 62a_100000181259_100011215226 [0,1,0,0,1,0|1,0,0]=3 5300 B14R1.1035 CC(SCCC#N)c1ccccc1Cl 62a_100011215226_100000181259 [0,1,0,0,1,0|1,0,0]=3 5301 B14R1.1035 CC(SCCC#N)c1ccccc1F 62a_100011215226_200000741388 [0,1,0,0,1,0|1,0,0]=3 5302 B14R1.1035 CC(SCCC#N)c1ccccc1F 62a_200000741388_100011215226 [0,1,0,0,1,0|1,0,0]=3 5303 B14R1.1035 CC(SCSC#N)c1ccccc1Cl 62a_100000181259_100000211825 [0,1,0,0,1,0|2,0,0]=4 5304 B14R1.1035 CC(SCSC#N)c1ccccc1Cl 62a_100000211825_100000181259 [0,1,0,0,1,0|2,0,0]=4 5305 B14R1.1035 CC(SCSC#N)c1ccccc1F 62a_100000211825_200000741388 [0,1,0,0,1,0|2,0,0]=4 5306 B14R1.1035 CC(SCSC#N)c1ccccc1F 62a_200000741388_100000211825 [0,1,0,0,1,0|2,0,0]=4 5307 B14R1.1035 CCCCNC(C)c1ccccc1Br 2230a_100000181357_100000210211 [0,1,0,0,1,0|1,0,1]=4 5308 B14R1.1035 CCCCNC(C)c1ccccc1Br 269862a_100000102301_100000187085 [0,1,0,0,1,0|1,0,1]=4 5309 B14R1.1035 CCCCNC(C)c1ccccc1C 2230a_100000181355_100000210211 [0,1,0,0,1,0|1,0,1]=4 5310 B14R1.1035 CCCCNC(C)c1ccccc1C 269862a_100000102301_100000211656 [0,1,0,0,1,0|1,0,1]=4 5311 B14R1.1035 CCCCNC(C)c1ccccc1C 34a_100000181355_100000210210 [0,1,0,0,1,0|1,0,1]=4 5312 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000102301_100000181259 [0,1,0,0,1,0|1,0,1]=4 5313 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210211 [0,1,0,0,1,0|1,0,1]=4 5314 B14R1.1035 CCCCNC(C)c1ccccc1Cl 269862a_100000102301_100000210134 [0,1,0,0,1,0|1,0,1]=4 5315 B14R1.1035 CCCCNC(C)c1ccccc1Cl 34a_100000174978_100000210210 [0,1,0,0,1,0|1,0,1]=4 5316 B14R1.1035 CCCCNC(C)c1ccccc1Cl 7a_106832991798_100000181259 [0,1,0,0,1,0|1,0,1]=4 5317 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000102301_200000741388 [0,1,0,0,1,0|1,0,1]=4 5318 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000181408_100000210211 [0,1,0,0,1,0|1,0,1]=4 5319 B14R1.1035 CCCCNC(C)c1ccccc1F 269862a_100000102301_100000210632 [0,1,0,0,1,0|1,0,1]=4 5320 B14R1.1035 CCCCNC(C)c1ccccc1F 34a_100000181408_100000210210 [0,1,0,0,1,0|1,0,1]=4 5321 B14R1.1035 CCCCNC(C)c1ccccc1F 7a_106832991798_200000741388 [0,1,0,0,1,0|1,0,1]=4 5322 B14R1.1035 CCCCNC(C)c1ccccc1I 269862a_100000102301_100000751169 [0,1,0,0,1,0|1,0,1]=4 5323 B14R1.1035 CCCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210211 [0,1,0,0,1,0|1,0,1]=4 5324 B14R1.1035 CN(CCCC#N)c1ccccc1Br 2230a_100020606079_100000687738 [0,1,0,0,1,0|2,0,0]=4 5325 B14R1.1035 CN(CCCC#N)c1ccccc1Br 269982a_100020606079_100000687738 [0,1,0,0,1,0|2,0,0]=4 5326 B14R1.1035 CN(CCCC#N)c1ccccc1Cl 2230a_100000219374_100000687738 [0,1,0,0,1,0|2,0,0]=4 5327 B14R1.1035 CN(CCCC#N)c1ccccc1Cl 269982a_100000219374_100000687738 [0,1,0,0,1,0|2,0,0]=4 5328 B14R1.1035 CN(CCCC#N)c1ccccc1F 2230a_100000220357_100000687738 [0,1,0,0,1,0|2,0,0]=4 5329 B14R1.1035 CN(CCCC#N)c1ccccc1F 269982a_100000220357_100000687738 [0,1,0,0,1,0|2,0,0]=4 5330 B14R1.1035 CN(CCCC#N)c1ccccc1O 269982a_100000033821_100000687738 [0,1,0,0,1,0|2,0,0]=4 5331 B14R1.1035 COCCNC(C)c1ccccc1Br 2230a_100000181357_100011201679 [0,1,0,0,1,0|2,0,0]=4 5332 B14R1.1035 COCCNC(C)c1ccccc1Br 269862a_100000209980_100000187085 [0,1,0,0,1,0|2,0,0]=4 5333 B14R1.1035 COCCNC(C)c1ccccc1C 2230a_100000181355_100011201679 [0,1,0,0,1,0|2,0,0]=4 5334 B14R1.1035 COCCNC(C)c1ccccc1C 269862a_100000209980_100000211656 [0,1,0,0,1,0|2,0,0]=4 5335 B14R1.1035 COCCNC(C)c1ccccc1C 34a_100000181355_100011201679 [0,1,0,0,1,0|2,0,0]=4 5336 B14R1.1035 COCCNC(C)c1ccccc1Cl 2230a_100000174978_100011201679 [0,1,0,0,1,0|2,0,0]=4 5337 B14R1.1035 COCCNC(C)c1ccccc1Cl 2230a_100000209980_100000181259 [0,1,0,0,1,0|2,0,0]=4 5338 B14R1.1035 COCCNC(C)c1ccccc1Cl 269862a_100000209980_100000210134 [0,1,0,0,1,0|2,0,0]=4 5339 B14R1.1035 COCCNC(C)c1ccccc1Cl 34a_100000174978_100011201679 [0,1,0,0,1,0|2,0,0]=4 5340 B14R1.1035 COCCNC(C)c1ccccc1F 2230a_100000181408_100011201679 [0,1,0,0,1,0|2,0,0]=4 5341 B14R1.1035 COCCNC(C)c1ccccc1F 2230a_100000209980_200000741388 [0,1,0,0,1,0|2,0,0]=4 5342 B14R1.1035 COCCNC(C)c1ccccc1F 269862a_100000209980_100000210632 [0,1,0,0,1,0|2,0,0]=4 5343 B14R1.1035 COCCNC(C)c1ccccc1F 34a_100000181408_100011201679 [0,1,0,0,1,0|2,0,0]=4 5344 B14R1.1035 COCCNC(C)c1ccccc1I 269862a_100000209980_100000751169 [0,1,0,0,1,0|2,0,0]=4 5345 B14R1.1035 COCCN[C@H](C)c1ccccc1O 2230a_100025703389_100011201679 [0,1,0,0,1,0|2,0,0]=4 5346 B14R1.1035 CSCCNC(C)c1ccccc1Br 2230a_100000181357_100000751147 [0,1,0,0,1,0|2,0,0]=4 5347 B14R1.1035 CSCCNC(C)c1ccccc1Br 269862a_100020590264_100000187085 [0,1,0,0,1,0|2,0,0]=4 5348 B14R1.1035 CSCCNC(C)c1ccccc1C 2230a_100000181355_100000751147 [0,1,0,0,1,0|2,0,0]=4 5349 B14R1.1035 CSCCNC(C)c1ccccc1C 269862a_100020590264_100000211656 [0,1,0,0,1,0|2,0,0]=4 5350 B14R1.1035 CSCCNC(C)c1ccccc1C 34a_100000181355_100000212216 [0,1,0,0,1,0|2,0,0]=4 5351 B14R1.1035 CSCCNC(C)c1ccccc1Cl 2230a_100000174978_100000751147 [0,1,0,0,1,0|2,0,0]=4 5352 B14R1.1035 CSCCNC(C)c1ccccc1Cl 2230a_100020590264_100000181259 [0,1,0,0,1,0|2,0,0]=4 5353 B14R1.1035 CSCCNC(C)c1ccccc1Cl 269862a_100020590264_100000210134 [0,1,0,0,1,0|2,0,0]=4 5354 B14R1.1035 CSCCNC(C)c1ccccc1Cl 34a_100000174978_100000212216 [0,1,0,0,1,0|2,0,0]=4 5355 B14R1.1035 CSCCNC(C)c1ccccc1F 2230a_100000181408_100000751147 [0,1,0,0,1,0|2,0,0]=4 5356 B14R1.1035 CSCCNC(C)c1ccccc1F 2230a_100020590264_200000741388 [0,1,0,0,1,0|2,0,0]=4 5357 B14R1.1035 CSCCNC(C)c1ccccc1F 269862a_100020590264_100000210632 [0,1,0,0,1,0|2,0,0]=4 5358 B14R1.1035 CSCCNC(C)c1ccccc1F 34a_100000181408_100000212216 [0,1,0,0,1,0|2,0,0]=4 5359 B14R1.1035 CSCCNC(C)c1ccccc1I 269862a_100020590264_100000751169 [0,1,0,0,1,0|2,0,0]=4 5360 B14R1.1035 CSCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000751147 [0,1,0,0,1,0|2,0,0]=4 5361 B14R1.1035 C[C@@H](NCCC#N)c1ccccc1O 2230a_100025703389_100011215226 [0,1,0,0,1,0|0,0,0]=2 5362 B14R1.1035 C[C@@H](NCCCF)c1ccccc1O 2230a_100025703389_100011934791 [0,1,0,0,1,0|1,0,1]=4 5363 B14R1.1035 C[C@@H](NCCCO)c1ccccc1O 2230a_100025703389_100000230001 [0,1,0,0,1,0|1,0,1]=4 5364 B14R1.1035 C[C@H](OCCC#N)c1ncccc1Br 7a_100013325542_100000184422 [0,1,0,0,1,0|2,0,0]=4 5365 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 11a_100000720768_100000212026 [0,1,0,0,1,0|1,0,1]=4 5366 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 1626a_100000720768_100000212026 [0,1,0,0,1,0|1,0,1]=4 5367 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 240690a_100000720768_100000212026 [0,1,0,0,1,0|1,0,1]=4 5368 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 527a_100000720768_100000212026 [0,1,0,0,1,0|1,0,1]=4 5369 B14R1.1035 Cc1ccccc1C(C)NCCC#N 2230a_100000181355_100011215226 [0,1,0,0,1,0|0,0,0]=2 5370 B14R1.1035 Cc1ccccc1C(C)NCCCF 2230a_100000181355_100011934791 [0,1,0,0,1,0|1,0,1]=4 5371 B14R1.1035 Cc1ccccc1C(C)NCCCF 269862a_100015189416_100000211656 [0,1,0,0,1,0|1,0,1]=4 5372 B14R1.1035 Cc1ccccc1C(C)NCCCF 34a_100000181355_100011934791 [0,1,0,0,1,0|1,0,1]=4 5373 B14R1.1035 Cc1ccccc1C(C)NCCCO 2230a_100000181355_100000230001 [0,1,0,0,1,0|1,0,1]=4 5374 B14R1.1035 Cc1ccccc1C(C)NCCCO 269862a_100000182051_100000211656 [0,1,0,0,1,0|1,0,1]=4 5375 B14R1.1035 Cc1ccccc1C(C)NCCCO 34a_100000181355_100000230001 [0,1,0,0,1,0|1,0,1]=4 5376 B14R1.1035 Cc1ccccc1C(C)OCCC#N 7a_100000742021_100000184422 [0,1,0,0,1,0|1,0,0]=3 5377 B14R1.1035 Cc1ccccc1N(C)CCCC#N 2230a_100000219699_100000687738 [0,1,0,0,1,0|2,0,0]=4 5378 B14R1.1035 Cc1ccccc1N(C)CCCC#N 269982a_100000219699_100000687738 [0,1,0,0,1,0|2,0,0]=4 5379 B14R1.1035 Cc1cccnc1C(C)NCCC#N 2230a_100011536111_100011215226 [0,1,0,0,1,0|1,0,0]=3 5380 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 11a_100000720768_100000188424 [0,1,0,0,1,0|1,0,1]=4 5381 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 1626a_100000720768_100000188424 [0,1,0,0,1,0|1,0,1]=4 5382 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 240690a_100000720768_100000188424 [0,1,0,0,1,0|1,0,1]=4 5383 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 527a_100000720768_100000188424 [0,1,0,0,1,0|1,0,1]=4 5384 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 11a_100000720768_100000185844 [0,1,0,0,1,0|1,0,1]=4 5385 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 1626a_100000720768_100000185844 [0,1,0,0,1,0|1,0,1]=4 5386 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 240690a_100000720768_100000185844 [0,1,0,0,1,0|1,0,1]=4 5387 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 527a_100000720768_100000185844 [0,1,0,0,1,0|1,0,1]=4 5388 B14R1.1035 N#CCCNC(=O)c1ccccc1F 11a_100000720768_100000188656 [0,1,0,0,1,0|1,0,1]=4 5389 B14R1.1035 N#CCCNC(=O)c1ccccc1F 1626a_100000720768_100000188656 [0,1,0,0,1,0|1,0,1]=4 5390 B14R1.1035 N#CCCNC(=O)c1ccccc1F 240690a_100000720768_100000188656 [0,1,0,0,1,0|1,0,1]=4 5391 B14R1.1035 N#CCCNC(=O)c1ccccc1F 527a_100000720768_100000188656 [0,1,0,0,1,0|1,0,1]=4 5392 B14R1.1035 N#CCCNC(=O)c1ccccc1I 11a_100000720768_100000187884 [0,1,0,0,1,0|1,0,1]=4 5393 B14R1.1035 N#CCCNC(=O)c1ccccc1I 1626a_100000720768_100000187884 [0,1,0,0,1,0|1,0,1]=4 5394 B14R1.1035 N#CCCNC(=O)c1ccccc1I 240690a_100000720768_100000187884 [0,1,0,0,1,0|1,0,1]=4 5395 B14R1.1035 N#CCCNC(=O)c1ccccc1I 527a_100000720768_100000187884 [0,1,0,0,1,0|1,0,1]=4 5396 B14R1.1035 N#CCCNC(=O)c1ccccc1O 240690a_100000720768_100015234032 [0,1,0,0,1,0|1,0,1]=4 5397 B14R1.1035 N#CCCNC(=O)c1ccccc1[O-] 1626a_100000720768_100009911694 [0,1,0,0,1,0|1,0,1]=4 5398 B14R1.1035 N#CCCNC(=O)c1ccccc1[O-] 240690a_100000720768_100009911694 [0,1,0,0,1,0|1,0,1]=4 5399 B14R1.1035 N#CCCNC(=O)c1ccccc1[O-] 527a_100000720768_100009911694 [0,1,0,0,1,0|1,0,1]=4 5400 B14R1.92 C#CCCCNC(C)Cc1ccco1 270004a_100000718082_100011216958 [0,1,0,0,1,0|2,0,0]=4 5401 B14R1.92 C#CCCCNC(C)Cc1cccs1 2230a_100000751415_100000731252 [0,1,0,0,1,0|2,0,0]=4 5402 B14R1.92 C#CCCCNC(C)Cc1ccsc1 2230a_100000743546_100000731252 [0,1,0,0,1,0|2,0,0]=4 5403 B14R1.92 C#CCCCNC(C)Cc1ccsc1 34a_100000743546_100000695029 [0,1,0,0,1,0|2,0,0]=4 5404 B14R1.92 CC(Cc1ccco1)OCCCC#N 7a_100011803939_100000687738 [0,1,0,0,1,0|2,0,0]=4 5405 B14R1.92 CC(Cc1cccs1)NCCCC#N 2230a_100000751415_100000687738 [0,1,0,0,1,0|1,0,0]=3 5406 B14R1.92 CC(Cc1ccsc1)NCCCC#N 2230a_100000743546_100000687738 [0,1,0,0,1,0|1,0,0]=3 5407 B14R1.92 CC(Cn1cccn1)NCCCC#N 2230a_100000738251_100000687738 [0,1,0,0,1,0|2,0,0]=4 5408 B14R1.157 CC(Cn1cc(cn1)Br)NCCC#N 270004a_100000720768_100000763327 [0,1,0,0,1,0|2,0,0]=4 5409 B14R1.157 Cc1cc([nH]n1)CC(C)NCCC#N 2230a_100000081893_100011215226 [0,1,0,0,1,0|2,0,0]=4 5410 B14R1.454 CC(Cc1ccco1)N(C)CCC#N 270004a_100000184479_100011216958 [0,1,0,0,1,0|1,0,0]=3 5411 B14R1.621 CC(CC#N)NC(C)Cc1cccs1 2230a_100000751415_100009813641 [0,1,0,0,1,0|1,0,0]=3 5412 B14R1.621 CC(CC#N)NC(C)Cc1ccsc1 2230a_100000743546_100009813641 [0,1,0,0,1,0|1,0,0]=3 5413 B14R1.621 CC(CC#N)NC(C)Cn1cccn1 2230a_100000738251_100009813641 [0,1,0,0,1,0|2,0,0]=4 5414 B14R1.621 CC(CC#N)OC(C)Cc1ccco1 7a_100011803939_100009813641 [0,1,0,0,1,0|2,0,0]=4 5415 B14R1.621 CC(Cc1cccs1)NC(=O)CC#N 1626a_100000751415_100051588842 [0,1,0,0,1,0|1,0,1]=4 5416 B14R1.621 CC(Cc1cccs1)NC(=O)CC#N 240690a_100000751415_100051588842 [0,1,0,0,1,0|1,0,1]=4 5417 B14R1.621 CC(Cc1ccsc1)NC(=O)CC#N 1626a_100000743546_100051588842 [0,1,0,0,1,0|1,0,1]=4 5418 B14R1.621 CC(Cc1ccsc1)NC(=O)CC#N 240690a_100000743546_100051588842 [0,1,0,0,1,0|1,0,1]=4 5419 B14R1.731 C=C(C#N)CNC(C)Cc1cccs1 2230a_100000751415_100000694840 [0,1,0,0,1,0|1,0,1]=4 5420 B14R1.731 C=C(C#N)CNC(C)Cc1ccsc1 2230a_100000743546_100000694840 [0,1,0,0,1,0|1,0,1]=4 5421 B14R1.731 C=C(C#N)CNC(C)Cc1ccsc1 34a_100000743546_100000694840 [0,1,0,0,1,0|1,0,1]=4 5422 B14R1.777 CCC(Cc1ccco1)NCCC#N 270004a_100000720768_200011996595 [0,1,0,0,1,0|1,0,0]=3 5423 B14R1.777 CCC(Cn1ccnc1)NCCC#N 2230a_200015184670_100011215226 [0,1,0,0,1,0|2,0,0]=4 5424 B14R1.777 N#CCCN[C@H](CO)Cc1c[nH]cn1 2230a_100016995062_100011215226 [0,1,0,0,1,0|2,0,0]=4 5425 B16R1.35 CC(CC(=O)NCCC#N)c1ccccc1 11a_100000720768_100000183687 [0,1,0,0,0,1|1,0,1]=4 5426 B16R1.35 CC(CC(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000183687 [0,1,0,0,0,1|1,0,1]=4 5427 B16R1.35 CC(CC(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000183687 [0,1,0,0,0,1|1,0,1]=4 5428 B16R1.35 CC(CC(=O)NCCC#N)c1ccccc1 527a_100000720768_100000183687 [0,1,0,0,0,1|1,0,1]=4 5429 B16R1.35 CC(CCCC#N)NC(C)c1ccccn1 270004a_100000181244_200000032708 [0,1,0,0,0,1|2,0,0]=4 5430 B16R1.35 CC(CCCC#N)NC(C)c1cccnc1 270004a_100000195435_200000032708 [0,1,0,0,0,1|2,0,0]=4 5431 B16R1.35 CC(CCCC#N)NC(C)c1ccncc1 270004a_100000181269_200000032708 [0,1,0,0,0,1|2,0,0]=4 5432 B16R1.35 CC(CCCC#N)N[C@H](C)c1ccccc1 270004a_100000751104_200000032708 [0,1,0,0,0,1|1,0,0]=3 5433 B16R1.35 CN(CC(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000745425 [0,1,0,0,0,1|1,0,1]=4 5434 B16R1.35 CN(CC(=O)NCCC#N)c1ccccc1 527a_100000720768_100000745425 [0,1,0,0,0,1|1,0,1]=4 5435 B16R1.35 CN(CCCC#N)CC(O)c1ccccc1 2230a_100000227976_100000687738 [0,1,0,0,0,1|2,0,0]=4 5436 B16R1.35 CN(CCCC#N)CC(O)c1ccccc1 269982a_100000227976_100000687738 [0,1,0,0,0,1|2,0,0]=4 5437 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 2708a_100000720768_100000751104 [0,1,0,0,0,1|1,0,1]=4 5438 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 2708a_100000751104_100000720768 [0,1,0,0,0,1|1,0,1]=4 5439 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 273464a_100000720768_100000751104 [0,1,0,0,0,1|1,0,1]=4 5440 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 273464a_100000751104_100000720768 [0,1,0,0,0,1|1,0,1]=4 5441 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 512a_100000720768_100000751104 [0,1,0,0,0,1|1,0,1]=4 5442 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 512a_100000751104_100000720768 [0,1,0,0,0,1|1,0,1]=4 5443 B16R1.35 N#CCCNC(=O)CC(O)c1ccccc1 240690a_100000720768_100000690199 [0,1,0,0,0,1|1,0,1]=4 5444 B16R1.51 C#CCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000688953 [0,1,0,0,0,1|1,0,0]=3 5445 B16R1.51 C#CCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000688953 [0,1,0,0,0,1|1,0,0]=3 5446 B16R1.51 C#CCCOC(C)COc1ccc(cc1)C 34a_100011217472_100000688953 [0,1,0,0,0,1|2,0,0]=4 5447 B16R1.51 C#CCCOC(C)COc1ccc(cc1)C 7a_100011217472_100000688953 [0,1,0,0,0,1|2,0,0]=4 5448 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)Cl 270004a_100015191253_100011279170 [0,1,0,0,0,1|1,0,1]=4 5449 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)F 270004a_100015191253_100000743244 [0,1,0,0,0,1|1,0,1]=4 5450 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)I 270004a_100015191253_100000723691 [0,1,0,0,0,1|1,0,1]=4 5451 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)O 270004a_100015191253_100000198047 [0,1,0,0,0,1|1,0,1]=4 5452 B16R1.51 C=CCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000754431 [0,1,0,0,0,1|1,0,1]=4 5453 B16R1.51 C=CCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000754431 [0,1,0,0,0,1|1,0,1]=4 5454 B16R1.51 C=CCCNC(C)COc1ccc(cc1)Cl 270004a_100015191253_200000150450 [0,1,0,0,0,1|1,0,1]=4 5455 B16R1.51 C=CCCNC(C)CSc1ccc(cc1)C 270004a_100015191253_100000172844 [0,1,0,0,0,1|1,0,1]=4 5456 B16R1.51 C=CCCNC(C)CSc1ccc(cc1)Cl 270004a_100015191253_100000150472 [0,1,0,0,0,1|1,0,1]=4 5457 B16R1.51 C=CCCNC(C)CSc1ccc(cc1)F 270004a_100015191253_200000148136 [0,1,0,0,0,1|1,0,1]=4 5458 B16R1.51 CC#CCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000748600 [0,1,0,0,0,1|1,0,1]=4 5459 B16R1.51 CC#CCNC(C)COc1ccc(cc1)C 34a_100000743913_100000748600 [0,1,0,0,0,1|1,0,1]=4 5460 B16R1.51 CC(CCCC#N)NCc1ccc(cc1)Br 270004a_100000174875_200000032708 [0,1,0,0,0,1|1,0,0]=3 5461 B16R1.51 CC(CCCC#N)NCc1ccc(cc1)Cl 270004a_100000174871_200000032708 [0,1,0,0,0,1|1,0,0]=3 5462 B16R1.51 CC(CCCC#N)NCc1ccc(cc1)F 270004a_100000174882_200000032708 [0,1,0,0,0,1|1,0,0]=3 5463 B16R1.51 CC(CCCC#N)NCc1ccc(cc1)I 270004a_100016989417_200000032708 [0,1,0,0,0,1|1,0,0]=3 5464 B16R1.51 CC(CCCC#N)NCc1ccc(cn1)Cl 270004a_100000697193_200000032708 [0,1,0,0,0,1|2,0,0]=4 5465 B16R1.51 CC(CCCC#N)NCc1ccc(nc1)Br 270004a_100009817727_200000032708 [0,1,0,0,0,1|2,0,0]=4 5466 B16R1.51 CC(CCCC#N)NCc1ccc(nc1)Cl 270004a_100000735879_200000032708 [0,1,0,0,0,1|2,0,0]=4 5467 B16R1.51 CC(CCCC#N)NCc1ccc(nc1)F 270004a_100000101913_200000032708 [0,1,0,0,0,1|2,0,0]=4 5468 B16R1.51 CC(CCc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_100011279170 [0,1,0,0,0,1|0,0,0]=2 5469 B16R1.51 CC(CCc1ccc(cc1)Cl)NCCCF 270004a_100015189416_100011279170 [0,1,0,0,0,1|1,0,1]=4 5470 B16R1.51 CC(CCc1ccc(cc1)Cl)NCCCO 270004a_100000182051_100011279170 [0,1,0,0,0,1|1,0,1]=4 5471 B16R1.51 CC(CCc1ccc(cc1)F)NCCC#N 270004a_100000720768_100000743244 [0,1,0,0,0,1|0,0,0]=2 5472 B16R1.51 CC(CCc1ccc(cc1)F)NCCCF 270004a_100015189416_100000743244 [0,1,0,0,0,1|1,0,1]=4 5473 B16R1.51 CC(CCc1ccc(cc1)F)NCCCO 270004a_100000182051_100000743244 [0,1,0,0,0,1|1,0,1]=4 5474 B16R1.51 CC(CCc1ccc(cc1)I)NCCC#N 270004a_100000720768_100000723691 [0,1,0,0,0,1|0,0,0]=2 5475 B16R1.51 CC(CCc1ccc(cc1)I)NCCCF 270004a_100015189416_100000723691 [0,1,0,0,0,1|1,0,1]=4 5476 B16R1.51 CC(CCc1ccc(cc1)I)NCCCO 270004a_100000182051_100000723691 [0,1,0,0,0,1|1,0,1]=4 5477 B16R1.51 CC(CCc1ccc(cc1)O)NCCC#N 270004a_100000720768_100000198047 [0,1,0,0,0,1|0,0,0]=2 5478 B16R1.51 CC(CCc1ccc(cc1)O)NCCCF 270004a_100015189416_100000198047 [0,1,0,0,0,1|1,0,1]=4 5479 B16R1.51 CC(CCc1ccc(cc1)O)NCCCO 270004a_100000182051_100000198047 [0,1,0,0,0,1|1,0,1]=4 5480 B16R1.51 CC(COc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_200000150450 [0,1,0,0,0,1|0,0,0]=2 5481 B16R1.51 CC(COc1ccc(cc1)Cl)NCCCF 270004a_100015189416_200000150450 [0,1,0,0,0,1|1,0,1]=4 5482 B16R1.51 CC(COc1ccc(cc1)Cl)NCCCO 270004a_100000182051_200000150450 [0,1,0,0,0,1|1,0,1]=4 5483 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_100000150472 [0,1,0,0,0,1|0,0,0]=2 5484 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCCF 270004a_100015189416_100000150472 [0,1,0,0,0,1|1,0,1]=4 5485 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCCO 270004a_100000182051_100000150472 [0,1,0,0,0,1|1,0,1]=4 5486 B16R1.51 CC(CSc1ccc(cc1)F)NCCC#N 270004a_100000720768_200000148136 [0,1,0,0,0,1|0,0,0]=2 5487 B16R1.51 CC(CSc1ccc(cc1)F)NCCCF 270004a_100015189416_200000148136 [0,1,0,0,0,1|1,0,1]=4 5488 B16R1.51 CC(CSc1ccc(cc1)F)NCCCO 270004a_100000182051_200000148136 [0,1,0,0,0,1|1,0,1]=4 5489 B16R1.51 CCCCNC(C)CCc1ccc(cc1)Cl 270004a_100000102301_100011279170 [0,1,0,0,0,1|1,0,1]=4 5490 B16R1.51 CCCCNC(C)CCc1ccc(cc1)F 270004a_100000102301_100000743244 [0,1,0,0,0,1|1,0,1]=4 5491 B16R1.51 CCCCNC(C)CCc1ccc(cc1)I 270004a_100000102301_100000723691 [0,1,0,0,0,1|1,0,1]=4 5492 B16R1.51 CCCCNC(C)CCc1ccc(cc1)O 270004a_100000102301_100000198047 [0,1,0,0,0,1|1,0,1]=4 5493 B16R1.51 CCCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000210211 [0,1,0,0,0,1|1,0,1]=4 5494 B16R1.51 CCCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000210210 [0,1,0,0,0,1|1,0,1]=4 5495 B16R1.51 CCCCNC(C)COc1ccc(cc1)Cl 270004a_100000102301_200000150450 [0,1,0,0,0,1|1,0,1]=4 5496 B16R1.51 CCCCNC(C)CSc1ccc(cc1)C 270004a_100000102301_100000172844 [0,1,0,0,0,1|1,0,1]=4 5497 B16R1.51 CCCCNC(C)CSc1ccc(cc1)Cl 270004a_100000102301_100000150472 [0,1,0,0,0,1|1,0,1]=4 5498 B16R1.51 CCCCNC(C)CSc1ccc(cc1)F 270004a_100000102301_200000148136 [0,1,0,0,0,1|1,0,1]=4 5499 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)Br 2230a_100000752880_100000687738 [0,1,0,0,0,1|2,0,0]=4 5500 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)Br 269982a_100000752880_100000687738 [0,1,0,0,0,1|2,0,0]=4 5501 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)Cl 2230a_100000698262_100000687738 [0,1,0,0,0,1|2,0,0]=4 5502 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)Cl 269982a_100000698262_100000687738 [0,1,0,0,0,1|2,0,0]=4 5503 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)F 2230a_100102946585_100000687738 [0,1,0,0,0,1|2,0,0]=4 5504 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)F 269982a_100102946585_100000687738 [0,1,0,0,0,1|2,0,0]=4 5505 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)O 2230a_100016989440_100000687738 [0,1,0,0,0,1|2,0,0]=4 5506 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)O 269982a_100016989440_100000687738 [0,1,0,0,0,1|2,0,0]=4 5507 B16R1.51 COCCNC(C)CCc1ccc(cc1)Cl 270004a_100000209980_100011279170 [0,1,0,0,0,1|2,0,0]=4 5508 B16R1.51 COCCNC(C)CCc1ccc(cc1)F 270004a_100000209980_100000743244 [0,1,0,0,0,1|2,0,0]=4 5509 B16R1.51 COCCNC(C)CCc1ccc(cc1)I 270004a_100000209980_100000723691 [0,1,0,0,0,1|2,0,0]=4 5510 B16R1.51 COCCNC(C)CCc1ccc(cc1)O 270004a_100000209980_100000198047 [0,1,0,0,0,1|2,0,0]=4 5511 B16R1.51 COCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100011201679 [0,1,0,0,0,1|2,0,0]=4 5512 B16R1.51 COCCNC(C)COc1ccc(cc1)C 34a_100000743913_100011201679 [0,1,0,0,0,1|2,0,0]=4 5513 B16R1.51 COCCNC(C)COc1ccc(cc1)Cl 270004a_100000209980_200000150450 [0,1,0,0,0,1|2,0,0]=4 5514 B16R1.51 COCCNC(C)CSc1ccc(cc1)C 270004a_100000209980_100000172844 [0,1,0,0,0,1|2,0,0]=4 5515 B16R1.51 COCCNC(C)CSc1ccc(cc1)Cl 270004a_100000209980_100000150472 [0,1,0,0,0,1|2,0,0]=4 5516 B16R1.51 COCCNC(C)CSc1ccc(cc1)F 270004a_100000209980_200000148136 [0,1,0,0,0,1|2,0,0]=4 5517 B16R1.51 CSCCNC(C)CCc1ccc(cc1)Cl 270004a_100020590264_100011279170 [0,1,0,0,0,1|2,0,0]=4 5518 B16R1.51 CSCCNC(C)CCc1ccc(cc1)F 270004a_100020590264_100000743244 [0,1,0,0,0,1|2,0,0]=4 5519 B16R1.51 CSCCNC(C)CCc1ccc(cc1)I 270004a_100020590264_100000723691 [0,1,0,0,0,1|2,0,0]=4 5520 B16R1.51 CSCCNC(C)CCc1ccc(cc1)O 270004a_100020590264_100000198047 [0,1,0,0,0,1|2,0,0]=4 5521 B16R1.51 CSCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000751147 [0,1,0,0,0,1|2,0,0]=4 5522 B16R1.51 CSCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000212216 [0,1,0,0,0,1|2,0,0]=4 5523 B16R1.51 CSCCNC(C)COc1ccc(cc1)Cl 270004a_100020590264_200000150450 [0,1,0,0,0,1|2,0,0]=4 5524 B16R1.51 CSCCNC(C)CSc1ccc(cc1)C 270004a_100020590264_100000172844 [0,1,0,0,0,1|2,0,0]=4 5525 B16R1.51 CSCCNC(C)CSc1ccc(cc1)Cl 270004a_100020590264_100000150472 [0,1,0,0,0,1|2,0,0]=4 5526 B16R1.51 CSCCNC(C)CSc1ccc(cc1)F 270004a_100020590264_200000148136 [0,1,0,0,0,1|2,0,0]=4 5527 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCC#N 11a_100000720768_100000234883 [0,1,0,0,0,1|1,0,1]=4 5528 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCC#N 1626a_100000720768_100000234883 [0,1,0,0,0,1|1,0,1]=4 5529 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCC#N 240690a_100000720768_100000234883 [0,1,0,0,0,1|1,0,1]=4 5530 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCC#N 527a_100000720768_100000234883 [0,1,0,0,0,1|1,0,1]=4 5531 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N 2708a_100000174908_100000720768 [0,1,0,0,0,1|1,0,1]=4 5532 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N 2708a_100000720768_100000174908 [0,1,0,0,0,1|1,0,1]=4 5533 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N 273464a_100000174908_100000720768 [0,1,0,0,0,1|1,0,1]=4 5534 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N 273464a_100000720768_100000174908 [0,1,0,0,0,1|1,0,1]=4 5535 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N 512a_100000174908_100000720768 [0,1,0,0,0,1|1,0,1]=4 5536 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N 512a_100000720768_100000174908 [0,1,0,0,0,1|1,0,1]=4 5537 B16R1.51 Cc1ccc(cc1)CNC(C)CCCC#N 270004a_100000174908_200000032708 [0,1,0,0,0,1|1,0,0]=3 5538 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCC#N 11a_100000720768_100000182360 [0,1,0,0,0,1|1,0,1]=4 5539 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCC#N 1626a_100000720768_100000182360 [0,1,0,0,0,1|1,0,1]=4 5540 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCC#N 240690a_100000720768_100000182360 [0,1,0,0,0,1|1,0,1]=4 5541 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCC#N 527a_100000720768_100000182360 [0,1,0,0,0,1|1,0,1]=4 5542 B16R1.51 Cc1ccc(cc1)OCC(C)NCCC#N 2230a_100000743913_100011215226 [0,1,0,0,0,1|0,0,0]=2 5543 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCF 2230a_100000743913_100011934791 [0,1,0,0,0,1|1,0,1]=4 5544 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCF 34a_100000743913_100011934791 [0,1,0,0,0,1|1,0,1]=4 5545 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCO 2230a_100000743913_100000230001 [0,1,0,0,0,1|1,0,1]=4 5546 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCO 34a_100000743913_100000230001 [0,1,0,0,0,1|1,0,1]=4 5547 B16R1.51 Cc1ccc(cc1)OCC(C)OCCC#N 7a_100011217472_100000184422 [0,1,0,0,0,1|1,0,0]=3 5548 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCC#N 11a_100000720768_100000179497 [0,1,0,0,0,1|1,0,1]=4 5549 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCC#N 1626a_100000720768_100000179497 [0,1,0,0,0,1|1,0,1]=4 5550 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCC#N 240690a_100000720768_100000179497 [0,1,0,0,0,1|1,0,1]=4 5551 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCC#N 527a_100000720768_100000179497 [0,1,0,0,0,1|1,0,1]=4 5552 B16R1.51 Cc1ccc(cc1)SCC(C)NCCC#N 270004a_100000720768_100000172844 [0,1,0,0,0,1|0,0,0]=2 5553 B16R1.51 Cc1ccc(cc1)SCC(C)NCCCF 270004a_100015189416_100000172844 [0,1,0,0,0,1|1,0,1]=4 5554 B16R1.51 Cc1ccc(cc1)SCC(C)NCCCO 270004a_100000182051_100000172844 [0,1,0,0,0,1|1,0,1]=4 5555 B16R1.51 Cc1ccc(cn1)CNC(C)CCCC#N 270004a_100000740942_200000032708 [0,1,0,0,0,1|2,0,0]=4 5556 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Br 11a_100000720768_100000217147 [0,1,0,0,0,1|1,0,1]=4 5557 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Br 1626a_100000720768_100000217147 [0,1,0,0,0,1|1,0,1]=4 5558 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Br 240690a_100000720768_100000217147 [0,1,0,0,0,1|1,0,1]=4 5559 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Br 527a_100000720768_100000217147 [0,1,0,0,0,1|1,0,1]=4 5560 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Cl 11a_100000720768_100000235379 [0,1,0,0,0,1|1,0,1]=4 5561 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Cl 1626a_100000720768_100000235379 [0,1,0,0,0,1|1,0,1]=4 5562 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Cl 240690a_100000720768_100000235379 [0,1,0,0,0,1|1,0,1]=4 5563 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Cl 527a_100000720768_100000235379 [0,1,0,0,0,1|1,0,1]=4 5564 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)F 11a_100000720768_100000198493 [0,1,0,0,0,1|1,0,1]=4 5565 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)F 1626a_100000720768_100000198493 [0,1,0,0,0,1|1,0,1]=4 5566 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)F 240690a_100000720768_100000198493 [0,1,0,0,0,1|1,0,1]=4 5567 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)F 527a_100000720768_100000198493 [0,1,0,0,0,1|1,0,1]=4 5568 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)I 11a_100000720768_100011217499 [0,1,0,0,0,1|1,0,1]=4 5569 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)I 1626a_100000720768_100011217499 [0,1,0,0,0,1|1,0,1]=4 5570 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)I 240690a_100000720768_100011217499 [0,1,0,0,0,1|1,0,1]=4 5571 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)I 527a_100000720768_100011217499 [0,1,0,0,0,1|1,0,1]=4 5572 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)O 240690a_100000720768_100000742835 [0,1,0,0,0,1|1,0,1]=4 5573 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Br 11a_100000720768_100000182358 [0,1,0,0,0,1|1,0,1]=4 5574 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Br 1626a_100000720768_100000182358 [0,1,0,0,0,1|1,0,1]=4 5575 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Br 240690a_100000720768_100000182358 [0,1,0,0,0,1|1,0,1]=4 5576 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Br 527a_100000720768_100000182358 [0,1,0,0,0,1|1,0,1]=4 5577 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Cl 11a_100000720768_100016990877 [0,1,0,0,0,1|1,0,1]=4 5578 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Cl 1626a_100000720768_100016990877 [0,1,0,0,0,1|1,0,1]=4 5579 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Cl 240690a_100000720768_100016990877 [0,1,0,0,0,1|1,0,1]=4 5580 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Cl 527a_100000720768_100016990877 [0,1,0,0,0,1|1,0,1]=4 5581 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F 11a_100000720768_100000184765 [0,1,0,0,0,1|1,0,1]=4 5582 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F 1626a_100000720768_100000184765 [0,1,0,0,0,1|1,0,1]=4 5583 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F 240690a_100000720768_100000184765 [0,1,0,0,0,1|1,0,1]=4 5584 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F 527a_100000720768_100000184765 [0,1,0,0,0,1|1,0,1]=4 5585 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)I 11a_100000720768_100000184369 [0,1,0,0,0,1|1,0,1]=4 5586 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)I 1626a_100000720768_100000184369 [0,1,0,0,0,1|1,0,1]=4 5587 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)I 240690a_100000720768_100000184369 [0,1,0,0,0,1|1,0,1]=4 5588 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)I 527a_100000720768_100000184369 [0,1,0,0,0,1|1,0,1]=4 5589 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)O 240690a_100000720768_100000031633 [0,1,0,0,0,1|1,0,1]=4 5590 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)O 527a_100000720768_100000031633 [0,1,0,0,0,1|1,0,1]=4 5591 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Br 11a_100000720768_100000179496 [0,1,0,0,0,1|1,0,1]=4 5592 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Br 1626a_100000720768_100000179496 [0,1,0,0,0,1|1,0,1]=4 5593 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Br 240690a_100000720768_100000179496 [0,1,0,0,0,1|1,0,1]=4 5594 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Br 527a_100000720768_100000179496 [0,1,0,0,0,1|1,0,1]=4 5595 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Cl 11a_100000720768_100000178402 [0,1,0,0,0,1|1,0,1]=4 5596 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Cl 1626a_100000720768_100000178402 [0,1,0,0,0,1|1,0,1]=4 5597 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Cl 240690a_100000720768_100000178402 [0,1,0,0,0,1|1,0,1]=4 5598 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Cl 527a_100000720768_100000178402 [0,1,0,0,0,1|1,0,1]=4 5599 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)F 11a_100000720768_100000691584 [0,1,0,0,0,1|1,0,1]=4 5600 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)F 1626a_100000720768_100000691584 [0,1,0,0,0,1|1,0,1]=4 5601 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)F 240690a_100000720768_100000691584 [0,1,0,0,0,1|1,0,1]=4 5602 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)F 527a_100000720768_100000691584 [0,1,0,0,0,1|1,0,1]=4 5603 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000720768 [0,1,0,0,0,1|1,0,1]=4 5604 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Br 2708a_100000720768_100000174875 [0,1,0,0,0,1|1,0,1]=4 5605 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000720768 [0,1,0,0,0,1|1,0,1]=4 5606 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Br 273464a_100000720768_100000174875 [0,1,0,0,0,1|1,0,1]=4 5607 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100000720768 [0,1,0,0,0,1|1,0,1]=4 5608 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Br 512a_100000720768_100000174875 [0,1,0,0,0,1|1,0,1]=4 5609 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000720768 [0,1,0,0,0,1|1,0,1]=4 5610 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Cl 2708a_100000720768_100000174871 [0,1,0,0,0,1|1,0,1]=4 5611 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000720768 [0,1,0,0,0,1|1,0,1]=4 5612 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Cl 273464a_100000720768_100000174871 [0,1,0,0,0,1|1,0,1]=4 5613 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Cl 512a_100000720768_100000174871 [0,1,0,0,0,1|1,0,1]=4 5614 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100000720768 [0,1,0,0,0,1|1,0,1]=4 5615 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)F 2708a_100000720768_100000174882 [0,1,0,0,0,1|1,0,1]=4 5616 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100000720768 [0,1,0,0,0,1|1,0,1]=4 5617 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)F 273464a_100000720768_100000174882 [0,1,0,0,0,1|1,0,1]=4 5618 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)F 512a_100000174882_100000720768 [0,1,0,0,0,1|1,0,1]=4 5619 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)F 512a_100000720768_100000174882 [0,1,0,0,0,1|1,0,1]=4 5620 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)I 2708a_100000720768_100016989417 [0,1,0,0,0,1|1,0,1]=4 5621 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100000720768 [0,1,0,0,0,1|1,0,1]=4 5622 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)I 273464a_100000720768_100016989417 [0,1,0,0,0,1|1,0,1]=4 5623 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100000720768 [0,1,0,0,0,1|1,0,1]=4 5624 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)I 512a_100000720768_100016989417 [0,1,0,0,0,1|1,0,1]=4 5625 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)I 512a_100016989417_100000720768 [0,1,0,0,0,1|1,0,1]=4 5626 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100000720768 [0,1,0,0,0,1|1,0,1]=4 5627 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)O 2708a_100000720768_100000185549 [0,1,0,0,0,1|1,0,1]=4 5628 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100000720768 [0,1,0,0,0,1|1,0,1]=4 5629 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)O 273464a_100000720768_100000185549 [0,1,0,0,0,1|1,0,1]=4 5630 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)O 512a_100000720768_100000185549 [0,1,0,0,0,1|1,0,1]=4 5631 B16R1.52 C#CCCOC(C)COc1cccc(c1)C 34a_200011219432_100000688953 [0,1,0,0,0,1|2,0,0]=4 5632 B16R1.52 C#CCCOC(C)COc1cccc(c1)C 7a_200011219432_100000688953 [0,1,0,0,0,1|2,0,0]=4 5633 B16R1.52 C=CCCNC(C)CCc1cccc(c1)Br 270004a_100015191253_100011279149 [0,1,0,0,0,1|1,0,1]=4 5634 B16R1.52 C=CCCNC(C)CCc1cccc(c1)F 270004a_100015191253_100000743863 [0,1,0,0,0,1|1,0,1]=4 5635 B16R1.52 CC(CCCC#N)NCc1cccc(c1)Br 270004a_100000174977_200000032708 [0,1,0,0,0,1|1,0,0]=3 5636 B16R1.52 CC(CCCC#N)NCc1cccc(c1)Cl 270004a_100000174878_200000032708 [0,1,0,0,0,1|1,0,0]=3 5637 B16R1.52 CC(CCCC#N)NCc1cccc(c1)F 270004a_100000174948_200000032708 [0,1,0,0,0,1|1,0,0]=3 5638 B16R1.52 CC(CCCC#N)NCc1cccc(c1)I 270004a_100000106179_200000032708 [0,1,0,0,0,1|1,0,0]=3 5639 B16R1.52 CC(CCCC#N)NCc1cccc(c1)O 270004a_100000743036_200000032708 [0,1,0,0,0,1|1,0,0]=3 5640 B16R1.52 CC(CCCC#N)NCc1ccnc(c1)Br 270004a_100025757509_200000032708 [0,1,0,0,0,1|2,0,0]=4 5641 B16R1.52 CC(CCCC#N)NCc1ccnc(c1)Cl 270004a_100015205668_200000032708 [0,1,0,0,0,1|2,0,0]=4 5642 B16R1.52 CC(CCCC#N)NCc1ccnc(c1)F 270004a_100015188774_200000032708 [0,1,0,0,0,1|2,0,0]=4 5643 B16R1.52 CC(CCCC#N)NCc1cncc(c1)Br 270004a_100011249555_200000032708 [0,1,0,0,0,1|2,0,0]=4 5644 B16R1.52 CC(CCCC#N)NCc1cncc(c1)Cl 270004a_200020614424_200000032708 [0,1,0,0,0,1|2,0,0]=4 5645 B16R1.52 CC(CCCC#N)NCc1cncc(c1)F 270004a_100011962886_200000032708 [0,1,0,0,0,1|2,0,0]=4 5646 B16R1.52 CC(CCc1cccc(c1)Br)NCCC#N 270004a_100000720768_100011279149 [0,1,0,0,0,1|0,0,0]=2 5647 B16R1.52 CC(CCc1cccc(c1)Br)NCCCF 270004a_100015189416_100011279149 [0,1,0,0,0,1|1,0,1]=4 5648 B16R1.52 CC(CCc1cccc(c1)Br)NCCCO 270004a_100000182051_100011279149 [0,1,0,0,0,1|1,0,1]=4 5649 B16R1.52 CC(CCc1cccc(c1)F)NCCC#N 270004a_100000720768_100000743863 [0,1,0,0,0,1|0,0,0]=2 5650 B16R1.52 CC(CCc1cccc(c1)F)NCCCF 270004a_100015189416_100000743863 [0,1,0,0,0,1|1,0,1]=4 5651 B16R1.52 CC(CCc1cccc(c1)F)NCCCO 270004a_100000182051_100000743863 [0,1,0,0,0,1|1,0,1]=4 5652 B16R1.52 CCCCNC(C)CCc1cccc(c1)Br 270004a_100000102301_100011279149 [0,1,0,0,0,1|1,0,1]=4 5653 B16R1.52 CCCCNC(C)CCc1cccc(c1)F 270004a_100000102301_100000743863 [0,1,0,0,0,1|1,0,1]=4 5654 B16R1.52 CN(CCCC#N)CCc1cccc(c1)Cl 2230a_106726388433_100000687738 [0,1,0,0,0,1|2,0,0]=4 5655 B16R1.52 CN(CCCC#N)CCc1cccc(c1)Cl 269982a_106726388433_100000687738 [0,1,0,0,0,1|2,0,0]=4 5656 B16R1.52 CN(CCCC#N)CCc1cccc(c1)F 2230a_106726388868_100000687738 [0,1,0,0,0,1|2,0,0]=4 5657 B16R1.52 CN(CCCC#N)CCc1cccc(c1)F 269982a_106726388868_100000687738 [0,1,0,0,0,1|2,0,0]=4 5658 B16R1.52 COCCNC(C)CCc1cccc(c1)Br 270004a_100000209980_100011279149 [0,1,0,0,0,1|2,0,0]=4 5659 B16R1.52 COCCNC(C)CCc1cccc(c1)F 270004a_100000209980_100000743863 [0,1,0,0,0,1|2,0,0]=4 5660 B16R1.52 CSCCNC(C)CCc1cccc(c1)Br 270004a_100020590264_100011279149 [0,1,0,0,0,1|2,0,0]=4 5661 B16R1.52 CSCCNC(C)CCc1cccc(c1)F 270004a_100020590264_100000743863 [0,1,0,0,0,1|2,0,0]=4 5662 B16R1.52 Cc1cc(ccn1)CNC(C)CCCC#N 270004a_100011934566_200000032708 [0,1,0,0,0,1|2,0,0]=4 5663 B16R1.52 Cc1cccc(c1)CCC(=O)NCCC#N 11a_100000720768_100000234952 [0,1,0,0,0,1|1,0,1]=4 5664 B16R1.52 Cc1cccc(c1)CCC(=O)NCCC#N 1626a_100000720768_100000234952 [0,1,0,0,0,1|1,0,1]=4 5665 B16R1.52 Cc1cccc(c1)CCC(=O)NCCC#N 240690a_100000720768_100000234952 [0,1,0,0,0,1|1,0,1]=4 5666 B16R1.52 Cc1cccc(c1)CCC(=O)NCCC#N 527a_100000720768_100000234952 [0,1,0,0,0,1|1,0,1]=4 5667 B16R1.52 Cc1cccc(c1)CCN(C)CCCC#N 2230a_114849113767_100000687738 [0,1,0,0,0,1|2,0,0]=4 5668 B16R1.52 Cc1cccc(c1)CCN(C)CCCC#N 269982a_114849113767_100000687738 [0,1,0,0,0,1|2,0,0]=4 5669 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N 2708a_100000185548_100000720768 [0,1,0,0,0,1|1,0,1]=4 5670 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N 2708a_100000720768_100000185548 [0,1,0,0,0,1|1,0,1]=4 5671 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N 273464a_100000185548_100000720768 [0,1,0,0,0,1|1,0,1]=4 5672 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N 273464a_100000720768_100000185548 [0,1,0,0,0,1|1,0,1]=4 5673 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N 512a_100000185548_100000720768 [0,1,0,0,0,1|1,0,1]=4 5674 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N 512a_100000720768_100000185548 [0,1,0,0,0,1|1,0,1]=4 5675 B16R1.52 Cc1cccc(c1)CNC(C)CCCC#N 270004a_100000185548_200000032708 [0,1,0,0,0,1|1,0,0]=3 5676 B16R1.52 Cc1cccc(c1)OCC(=O)NCCC#N 11a_100000720768_100000183606 [0,1,0,0,0,1|1,0,1]=4 5677 B16R1.52 Cc1cccc(c1)OCC(=O)NCCC#N 1626a_100000720768_100000183606 [0,1,0,0,0,1|1,0,1]=4 5678 B16R1.52 Cc1cccc(c1)OCC(=O)NCCC#N 240690a_100000720768_100000183606 [0,1,0,0,0,1|1,0,1]=4 5679 B16R1.52 Cc1cccc(c1)OCC(=O)NCCC#N 527a_100000720768_100000183606 [0,1,0,0,0,1|1,0,1]=4 5680 B16R1.52 Cc1cccc(c1)OCC(C)OCCC#N 7a_200011219432_100000184422 [0,1,0,0,0,1|1,0,0]=3 5681 B16R1.52 Cc1cncc(c1)CNC(C)CCCC#N 270004a_100000692839_200000032708 [0,1,0,0,0,1|2,0,0]=4 5682 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Br 11a_100000720768_100000184314 [0,1,0,0,0,1|1,0,1]=4 5683 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Br 1626a_100000720768_100000184314 [0,1,0,0,0,1|1,0,1]=4 5684 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Br 240690a_100000720768_100000184314 [0,1,0,0,0,1|1,0,1]=4 5685 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Br 527a_100000720768_100000184314 [0,1,0,0,0,1|1,0,1]=4 5686 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Cl 11a_100000720768_100000235675 [0,1,0,0,0,1|1,0,1]=4 5687 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Cl 1626a_100000720768_100000235675 [0,1,0,0,0,1|1,0,1]=4 5688 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Cl 240690a_100000720768_100000235675 [0,1,0,0,0,1|1,0,1]=4 5689 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Cl 527a_100000720768_100000235675 [0,1,0,0,0,1|1,0,1]=4 5690 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)F 11a_100000720768_100000235673 [0,1,0,0,0,1|1,0,1]=4 5691 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)F 1626a_100000720768_100000235673 [0,1,0,0,0,1|1,0,1]=4 5692 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)F 240690a_100000720768_100000235673 [0,1,0,0,0,1|1,0,1]=4 5693 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)F 527a_100000720768_100000235673 [0,1,0,0,0,1|1,0,1]=4 5694 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)I 11a_100000720768_100010007846 [0,1,0,0,0,1|1,0,1]=4 5695 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)I 1626a_100000720768_100010007846 [0,1,0,0,0,1|1,0,1]=4 5696 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)I 240690a_100000720768_100010007846 [0,1,0,0,0,1|1,0,1]=4 5697 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)I 527a_100000720768_100010007846 [0,1,0,0,0,1|1,0,1]=4 5698 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)O 240690a_100000720768_100011216126 [0,1,0,0,0,1|1,0,1]=4 5699 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)O 527a_100000720768_100011216126 [0,1,0,0,0,1|1,0,1]=4 5700 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Br 11a_100000720768_100000182359 [0,1,0,0,0,1|1,0,1]=4 5701 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Br 1626a_100000720768_100000182359 [0,1,0,0,0,1|1,0,1]=4 5702 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Br 240690a_100000720768_100000182359 [0,1,0,0,0,1|1,0,1]=4 5703 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Br 527a_100000720768_100000182359 [0,1,0,0,0,1|1,0,1]=4 5704 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Cl 11a_100000720768_100000184978 [0,1,0,0,0,1|1,0,1]=4 5705 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Cl 1626a_100000720768_100000184978 [0,1,0,0,0,1|1,0,1]=4 5706 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Cl 240690a_100000720768_100000184978 [0,1,0,0,0,1|1,0,1]=4 5707 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Cl 527a_100000720768_100000184978 [0,1,0,0,0,1|1,0,1]=4 5708 B16R1.52 N#CCCNC(=O)COc1cccc(c1)F 11a_100000720768_100000182781 [0,1,0,0,0,1|1,0,1]=4 5709 B16R1.52 N#CCCNC(=O)COc1cccc(c1)F 1626a_100000720768_100000182781 [0,1,0,0,0,1|1,0,1]=4 5710 B16R1.52 N#CCCNC(=O)COc1cccc(c1)F 240690a_100000720768_100000182781 [0,1,0,0,0,1|1,0,1]=4 5711 B16R1.52 N#CCCNC(=O)COc1cccc(c1)F 527a_100000720768_100000182781 [0,1,0,0,0,1|1,0,1]=4 5712 B16R1.52 N#CCCNC(=O)CSc1cccc(c1)Br 11a_100000720768_100000760868 [0,1,0,0,0,1|1,0,1]=4 5713 B16R1.52 N#CCCNC(=O)CSc1cccc(c1)Br 1626a_100000720768_100000760868 [0,1,0,0,0,1|1,0,1]=4 5714 B16R1.52 N#CCCNC(=O)CSc1cccc(c1)Br 240690a_100000720768_100000760868 [0,1,0,0,0,1|1,0,1]=4 5715 B16R1.52 N#CCCNC(=O)CSc1cccc(c1)Br 527a_100000720768_100000760868 [0,1,0,0,0,1|1,0,1]=4 5716 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100000720768 [0,1,0,0,0,1|1,0,1]=4 5717 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Br 2708a_100000720768_100000174977 [0,1,0,0,0,1|1,0,1]=4 5718 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100000720768 [0,1,0,0,0,1|1,0,1]=4 5719 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Br 273464a_100000720768_100000174977 [0,1,0,0,0,1|1,0,1]=4 5720 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Br 512a_100000174977_100000720768 [0,1,0,0,0,1|1,0,1]=4 5721 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Br 512a_100000720768_100000174977 [0,1,0,0,0,1|1,0,1]=4 5722 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000720768 [0,1,0,0,0,1|1,0,1]=4 5723 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Cl 2708a_100000720768_100000174878 [0,1,0,0,0,1|1,0,1]=4 5724 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000720768 [0,1,0,0,0,1|1,0,1]=4 5725 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Cl 273464a_100000720768_100000174878 [0,1,0,0,0,1|1,0,1]=4 5726 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100000720768 [0,1,0,0,0,1|1,0,1]=4 5727 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Cl 512a_100000720768_100000174878 [0,1,0,0,0,1|1,0,1]=4 5728 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100000720768 [0,1,0,0,0,1|1,0,1]=4 5729 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F 2708a_100000720768_100000174948 [0,1,0,0,0,1|1,0,1]=4 5730 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100000720768 [0,1,0,0,0,1|1,0,1]=4 5731 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F 273464a_100000720768_100000174948 [0,1,0,0,0,1|1,0,1]=4 5732 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F 512a_100000174948_100000720768 [0,1,0,0,0,1|1,0,1]=4 5733 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F 512a_100000720768_100000174948 [0,1,0,0,0,1|1,0,1]=4 5734 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100000720768 [0,1,0,0,0,1|1,0,1]=4 5735 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)I 2708a_100000720768_100000106179 [0,1,0,0,0,1|1,0,1]=4 5736 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100000720768 [0,1,0,0,0,1|1,0,1]=4 5737 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)I 273464a_100000720768_100000106179 [0,1,0,0,0,1|1,0,1]=4 5738 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)I 512a_100000106179_100000720768 [0,1,0,0,0,1|1,0,1]=4 5739 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)I 512a_100000720768_100000106179 [0,1,0,0,0,1|1,0,1]=4 5740 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)O 2708a_100000720768_100000743036 [0,1,0,0,0,1|1,0,1]=4 5741 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100000720768 [0,1,0,0,0,1|1,0,1]=4 5742 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)O 273464a_100000720768_100000743036 [0,1,0,0,0,1|1,0,1]=4 5743 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100000720768 [0,1,0,0,0,1|1,0,1]=4 5744 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)O 512a_100000720768_100000743036 [0,1,0,0,0,1|1,0,1]=4 5745 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)O 512a_100000743036_100000720768 [0,1,0,0,0,1|1,0,1]=4 5746 B16R1.608 C=C(C)CCNC(C)CCc1ccccc1 2230a_100000210798_100000730704 [0,1,0,0,0,1|1,0,1]=4 5747 B16R1.608 C=C(C)CCNC(C)CCc1ccccc1 34a_100000210798_100000730704 [0,1,0,0,0,1|1,0,1]=4 5748 B16R1.608 C=C(C)CCNC(C)COc1ccccc1 2230a_100000746794_100000730704 [0,1,0,0,0,1|1,0,1]=4 5749 B16R1.608 C=C(C)CCNC(C)COc1ccccc1 34a_100000746794_100000730704 [0,1,0,0,0,1|1,0,1]=4 5750 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 2230a_100000210798_100000210312 [0,1,0,0,0,1|1,0,1]=4 5751 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 269862a_100000210798_100000185833 [0,1,0,0,0,1|1,0,1]=4 5752 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 270004a_100000210545_100000210092 [0,1,0,0,0,1|1,0,1]=4 5753 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 34a_100000210798_100000210312 [0,1,0,0,0,1|1,0,1]=4 5754 B16R1.608 CC(C)CCNC(C)COc1ccccc1 2230a_100000746794_100000210312 [0,1,0,0,0,1|1,0,1]=4 5755 B16R1.608 CC(C)CCNC(C)COc1ccccc1 269862a_100000746794_100000185833 [0,1,0,0,0,1|1,0,1]=4 5756 B16R1.608 CC(C)CCNC(C)COc1ccccc1 270004a_100000210545_100000150576 [0,1,0,0,0,1|1,0,1]=4 5757 B16R1.608 CC(C)CCNC(C)COc1ccccc1 34a_100000746794_100000210312 [0,1,0,0,0,1|1,0,1]=4 5758 B16R1.608 CC(C)CCNC(C)CSc1ccccc1 270004a_100000210545_100000150717 [0,1,0,0,0,1|1,0,1]=4 5759 B16R1.608 CC(CCc1ccccc1)NCCC(=O)N 2230a_100000210798_100000744528 [0,1,0,0,0,1|0,0,2]=4 5760 B16R1.608 CC(CCc1ccccc1)NCCC(=O)N 34a_100000210798_100000731001 [0,1,0,0,0,1|0,0,2]=4 5761 B16R1.608 CC(CCc1ccccc1)NCCN(C)C 270004a_100000210585_100000210092 [0,1,0,0,0,1|2,0,0]=4 5762 B16R1.608 CC(COc1ccccc1)NCCC(=O)N 2230a_100000746794_100000744528 [0,1,0,0,0,1|0,0,2]=4 5763 B16R1.608 CC(COc1ccccc1)NCCC(=O)N 34a_100000746794_100000731001 [0,1,0,0,0,1|0,0,2]=4 5764 B16R1.608 CC(COc1ccccc1)NCCN(C)C 270004a_100000210585_100000150576 [0,1,0,0,0,1|2,0,0]=4 5765 B16R1.608 CC(CSc1ccccc1)NCCN(C)C 270004a_100000210585_100000150717 [0,1,0,0,0,1|2,0,0]=4 5766 B16R1.608 CC(O)CCNC(C)CCc1ccccc1 2230a_100000210798_100012276601 [0,1,0,0,0,1|1,0,1]=4 5767 B16R1.608 CC(O)CCNC(C)CCc1ccccc1 270004a_200000755665_100000210092 [0,1,0,0,0,1|1,0,1]=4 5768 B16R1.608 CC(O)CCNC(C)CCc1ccccc1 34a_100000210798_100012276601 [0,1,0,0,0,1|1,0,1]=4 5769 B16R1.608 CC(O)CCNC(C)COc1ccccc1 2230a_100000746794_100012276601 [0,1,0,0,0,1|1,0,1]=4 5770 B16R1.608 CC(O)CCNC(C)COc1ccccc1 270004a_200000755665_100000150576 [0,1,0,0,0,1|1,0,1]=4 5771 B16R1.608 CC(O)CCNC(C)COc1ccccc1 34a_100000746794_100012276601 [0,1,0,0,0,1|1,0,1]=4 5772 B16R1.608 CC(O)CCNC(C)CSc1ccccc1 270004a_200000755665_100000150717 [0,1,0,0,0,1|1,0,1]=4 5773 B16R1.688 C#CCCCNC(C)CCc1ccccc1 2230a_100000210798_100000731252 [0,1,0,0,0,1|1,0,0]=3 5774 B16R1.688 C#CCCCNC(C)CCc1ccccc1 270004a_100000718082_100000210092 [0,1,0,0,0,1|1,0,0]=3 5775 B16R1.688 C#CCCCNC(C)CCc1ccccc1 34a_100000210798_100000695029 [0,1,0,0,0,1|1,0,0]=3 5776 B16R1.688 C#CCCCNC(C)COc1ccccc1 2230a_100000746794_100000731252 [0,1,0,0,0,1|1,0,0]=3 5777 B16R1.688 C#CCCCNC(C)COc1ccccc1 270004a_100000718082_100000150576 [0,1,0,0,0,1|1,0,0]=3 5778 B16R1.688 C#CCCCNC(C)COc1ccccc1 34a_100000746794_100000695029 [0,1,0,0,0,1|1,0,0]=3 5779 B16R1.688 C#CCCCNC(C)CSc1ccccc1 270004a_100000718082_100000150717 [0,1,0,0,0,1|1,0,0]=3 5780 B16R1.688 C#CCCCOC(C)COc1ccccc1 34a_100000210911_100000695029 [0,1,0,0,0,1|2,0,0]=4 5781 B16R1.688 C#CCCCOC(C)COc1ccccc1 7a_100000210911_100011215417 [0,1,0,0,0,1|2,0,0]=4 5782 B16R1.688 C#CCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000695029 [0,1,0,0,0,1|2,0,0]=4 5783 B16R1.688 C#CCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100011215417 [0,1,0,0,0,1|2,0,0]=4 5784 B16R1.688 C#CCCNCC(O)COc1ccccc1 2230a_100000738913_100000688953 [0,1,0,0,0,1|2,0,0]=4 5785 B16R1.688 C#CCCNCC(O)COc1ccccc1 34a_100000738913_100000688953 [0,1,0,0,0,1|2,0,0]=4 5786 B16R1.688 C#CCCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000688953 [0,1,0,0,0,1|2,0,0]=4 5787 B16R1.688 C=CCCCNC(C)CCc1ccccc1 2230a_100000210798_100011713584 [0,1,0,0,0,1|1,0,1]=4 5788 B16R1.688 C=CCCCNC(C)CCc1ccccc1 270004a_100000700776_100000210092 [0,1,0,0,0,1|1,0,1]=4 5789 B16R1.688 C=CCCCNC(C)CCc1ccccc1 34a_100000210798_100000757094 [0,1,0,0,0,1|1,0,1]=4 5790 B16R1.688 C=CCCCNC(C)COc1ccccc1 2230a_100000746794_100011713584 [0,1,0,0,0,1|1,0,1]=4 5791 B16R1.688 C=CCCCNC(C)COc1ccccc1 270004a_100000700776_100000150576 [0,1,0,0,0,1|1,0,1]=4 5792 B16R1.688 C=CCCCNC(C)COc1ccccc1 34a_100000746794_100000757094 [0,1,0,0,0,1|1,0,1]=4 5793 B16R1.688 C=CCCCNC(C)CSc1ccccc1 270004a_100000700776_100000150717 [0,1,0,0,0,1|1,0,1]=4 5794 B16R1.688 C=COCCNC(C)CCc1ccccc1 2230a_100000210798_100000039644 [0,1,0,0,0,1|1,0,1]=4 5795 B16R1.688 C=COCCNC(C)CCc1ccccc1 34a_100000210798_100000039644 [0,1,0,0,0,1|1,0,1]=4 5796 B16R1.688 C=COCCNC(C)COc1ccccc1 2230a_100000746794_100000039644 [0,1,0,0,0,1|1,0,1]=4 5797 B16R1.688 C=COCCNC(C)COc1ccccc1 34a_100000746794_100000039644 [0,1,0,0,0,1|1,0,1]=4 5798 B16R1.688 CC(=NNCCC#N)C#Cc1ccccc1 4a_100000229987_100000032204 [0,1,0,0,0,1|0,0,2]=4 5799 B16R1.688 CC(=NNCCC#N)C=Cc1ccccc1 4a_100000229987_100000204604 [0,1,0,0,0,1|0,0,2]=4 5800 B16R1.688 CC(=NNCCC#N)CCc1ccccc1 4a_100000229987_100000210092 [0,1,0,0,0,1|0,0,1]=3 5801 B16R1.688 CC(=NNCCC#N)COc1ccccc1 4a_100000229987_100000150576 [0,1,0,0,0,1|0,0,1]=3 5802 B16R1.688 CC(=NNCCC#N)CSc1ccccc1 4a_100000229987_100000150717 [0,1,0,0,0,1|0,0,1]=3 5803 B16R1.688 CC(C#Cc1ccccc1)OCCCC#N 7a_200000065209_100000687738 [0,1,0,0,0,1|1,0,1]=4 5804 B16R1.688 CC(CCc1ccccc1)NCC#CCO 2230a_100000210798_200000047223 [0,1,0,0,0,1|1,0,1]=4 5805 B16R1.688 CC(CCc1ccccc1)NCC#CCO 34a_100000210798_200000047223 [0,1,0,0,0,1|1,0,1]=4 5806 B16R1.688 CC(CCc1ccccc1)NCCCC#N 2230a_100000210798_100000687738 [0,1,0,0,0,1|0,0,0]=2 5807 B16R1.688 CC(CCc1ccccc1)NCCCC=O 2230a_100000210798_200011292268 [0,1,0,0,0,1|1,0,1]=4 5808 B16R1.688 CC(CCc1ccccc1)NCCCCF 2230a_100000210798_100000729493 [0,1,0,0,0,1|1,0,1]=4 5809 B16R1.688 CC(CCc1ccccc1)NCCCCF 34a_100000210798_100000729493 [0,1,0,0,0,1|1,0,1]=4 5810 B16R1.688 CC(CCc1ccccc1)NCCCCO 2230a_100000210798_100000210776 [0,1,0,0,0,1|1,0,1]=4 5811 B16R1.688 CC(CCc1ccccc1)NCCCCO 270004a_100000750430_100000210092 [0,1,0,0,0,1|1,0,1]=4 5812 B16R1.688 CC(CCc1ccccc1)NCCCCO 34a_100000210798_100011216708 [0,1,0,0,0,1|1,0,1]=4 5813 B16R1.688 CC(COc1ccccc1)NCC#CCO 2230a_100000746794_200000047223 [0,1,0,0,0,1|1,0,1]=4 5814 B16R1.688 CC(COc1ccccc1)NCC#CCO 34a_100000746794_200000047223 [0,1,0,0,0,1|1,0,1]=4 5815 B16R1.688 CC(COc1ccccc1)NCCCC#N 2230a_100000746794_100000687738 [0,1,0,0,0,1|0,0,0]=2 5816 B16R1.688 CC(COc1ccccc1)NCCCC=O 2230a_100000746794_200011292268 [0,1,0,0,0,1|1,0,1]=4 5817 B16R1.688 CC(COc1ccccc1)NCCCCF 2230a_100000746794_100000729493 [0,1,0,0,0,1|1,0,1]=4 5818 B16R1.688 CC(COc1ccccc1)NCCCCF 34a_100000746794_100000729493 [0,1,0,0,0,1|1,0,1]=4 5819 B16R1.688 CC(COc1ccccc1)NCCCCO 2230a_100000746794_100000210776 [0,1,0,0,0,1|1,0,1]=4 5820 B16R1.688 CC(COc1ccccc1)NCCCCO 270004a_100000750430_100000150576 [0,1,0,0,0,1|1,0,1]=4 5821 B16R1.688 CC(COc1ccccc1)NCCCCO 34a_100000746794_100011216708 [0,1,0,0,0,1|1,0,1]=4 5822 B16R1.688 CC(COc1ccccc1)NCCOCF 34a_200009868044_100015361967 [0,1,0,0,0,1|1,0,1]=4 5823 B16R1.688 CC(COc1ccccc1)OCCCC#N 7a_100000210911_100000687738 [0,1,0,0,0,1|1,0,0]=3 5824 B16R1.688 CC(CSc1ccccc1)NCCCCO 270004a_100000750430_100000150717 [0,1,0,0,0,1|1,0,1]=4 5825 B16R1.688 CCC#CCNC(C)CCc1ccccc1 2230a_100000210798_100009813939 [0,1,0,0,0,1|1,0,1]=4 5826 B16R1.688 CCC#CCNC(C)CCc1ccccc1 34a_100000210798_100009813939 [0,1,0,0,0,1|1,0,1]=4 5827 B16R1.688 CCC#CCNC(C)COc1ccccc1 2230a_100000746794_100009813939 [0,1,0,0,0,1|1,0,1]=4 5828 B16R1.688 CCC#CCNC(C)COc1ccccc1 34a_100000746794_100009813939 [0,1,0,0,0,1|1,0,1]=4 5829 B16R1.688 CCCCCNC(C)CCc1ccccc1 2230a_100000210798_100000210326 [0,1,0,0,0,1|1,0,1]=4 5830 B16R1.688 CCCCCNC(C)CCc1ccccc1 270004a_100000209983_100000210092 [0,1,0,0,0,1|1,0,1]=4 5831 B16R1.688 CCCCCNC(C)CCc1ccccc1 34a_100000210798_100000718602 [0,1,0,0,0,1|1,0,1]=4 5832 B16R1.688 CCCCCNC(C)COc1ccccc1 2230a_100000746794_100000210326 [0,1,0,0,0,1|1,0,1]=4 5833 B16R1.688 CCCCCNC(C)COc1ccccc1 270004a_100000209983_100000150576 [0,1,0,0,0,1|1,0,1]=4 5834 B16R1.688 CCCCCNC(C)COc1ccccc1 34a_100000746794_100000718602 [0,1,0,0,0,1|1,0,1]=4 5835 B16R1.688 CCCCCNC(C)CSc1ccccc1 270004a_100000209983_100000150717 [0,1,0,0,0,1|1,0,1]=4 5836 B16R1.688 CCOCCNC(C)CCc1ccccc1 2230a_100000210798_100011215890 [0,1,0,0,0,1|1,0,1]=4 5837 B16R1.688 CCOCCNC(C)CCc1ccccc1 270004a_102516460346_100000210092 [0,1,0,0,0,1|1,0,1]=4 5838 B16R1.688 CCOCCNC(C)CCc1ccccc1 34a_100000210798_100000210147 [0,1,0,0,0,1|1,0,1]=4 5839 B16R1.688 CCOCCNC(C)COc1ccccc1 2230a_100000746794_100011215890 [0,1,0,0,0,1|1,0,1]=4 5840 B16R1.688 CCOCCNC(C)COc1ccccc1 270004a_102516460346_100000150576 [0,1,0,0,0,1|1,0,1]=4 5841 B16R1.688 CCOCCNC(C)COc1ccccc1 34a_100000746794_100000210147 [0,1,0,0,0,1|1,0,1]=4 5842 B16R1.688 CCOCCNC(C)COc1ccccc1 34a_200009868044_100000210202 [0,1,0,0,0,1|1,0,1]=4 5843 B16R1.688 CCOCCNC(C)CSc1ccccc1 270004a_102516460346_100000150717 [0,1,0,0,0,1|1,0,1]=4 5844 B16R1.688 CCSCCNC(C)CCc1ccccc1 2230a_100000210798_100000757381 [0,1,0,0,0,1|1,0,1]=4 5845 B16R1.688 CCSCCNC(C)CCc1ccccc1 270004a_100000106463_100000210092 [0,1,0,0,0,1|1,0,1]=4 5846 B16R1.688 CCSCCNC(C)CCc1ccccc1 34a_100000210798_100000757381 [0,1,0,0,0,1|1,0,1]=4 5847 B16R1.688 CCSCCNC(C)COc1ccccc1 2230a_100000746794_100000757381 [0,1,0,0,0,1|1,0,1]=4 5848 B16R1.688 CCSCCNC(C)COc1ccccc1 270004a_100000106463_100000150576 [0,1,0,0,0,1|1,0,1]=4 5849 B16R1.688 CCSCCNC(C)COc1ccccc1 34a_100000746794_100000757381 [0,1,0,0,0,1|1,0,1]=4 5850 B16R1.688 CCSCCNC(C)CSc1ccccc1 270004a_100000106463_100000150717 [0,1,0,0,0,1|1,0,1]=4 5851 B16R1.688 CN(CCCCC#N)CCc1ccccc1 2230a_100000207497_100000211819 [0,1,0,0,0,1|2,0,0]=4 5852 B16R1.688 CN(CCCCC#N)CCc1ccccc1 269982a_100000207497_100011219923 [0,1,0,0,0,1|2,0,0]=4 5853 B16R1.688 CN(CCOCC#N)CCc1ccccc1 2230a_100000207497_200000047693 [0,1,0,0,0,1|2,0,0]=4 5854 B16R1.688 COCCCNC(C)CCc1ccccc1 2230a_100000210798_100000740836 [0,1,0,0,0,1|1,0,1]=4 5855 B16R1.688 COCCCNC(C)CCc1ccccc1 270004a_100150723488_100000210092 [0,1,0,0,0,1|1,0,1]=4 5856 B16R1.688 COCCCNC(C)CCc1ccccc1 34a_100000210798_100000740836 [0,1,0,0,0,1|1,0,1]=4 5857 B16R1.688 COCCCNC(C)COc1ccccc1 2230a_100000746794_100000740836 [0,1,0,0,0,1|1,0,1]=4 5858 B16R1.688 COCCCNC(C)COc1ccccc1 270004a_100150723488_100000150576 [0,1,0,0,0,1|1,0,1]=4 5859 B16R1.688 COCCCNC(C)COc1ccccc1 34a_100000746794_100000740836 [0,1,0,0,0,1|1,0,1]=4 5860 B16R1.688 COCCCNC(C)CSc1ccccc1 270004a_100150723488_100000150717 [0,1,0,0,0,1|1,0,1]=4 5861 B16R1.688 CSCCCNC(C)CCc1ccccc1 270004a_100000749238_100000210092 [0,1,0,0,0,1|1,0,1]=4 5862 B16R1.688 CSCCCNC(C)COc1ccccc1 270004a_100000749238_100000150576 [0,1,0,0,0,1|1,0,1]=4 5863 B16R1.688 CSCCCNC(C)CSc1ccccc1 270004a_100000749238_100000150717 [0,1,0,0,0,1|1,0,1]=4 5864 B16R1.688 C[C@@H](CCc1ccccc1)OCCCC#N 7a_100009815974_100000687738 [0,1,0,0,0,1|1,0,0]=3 5865 B16R1.688 N#CCCNCC(=O)NCc1ccccc1 2230a_100000739245_100011215226 [0,1,0,0,0,1|1,0,1]=4 5866 B16R1.688 N#CCCNCC(O)COc1ccccc1 2230a_100000738913_100011215226 [0,1,0,0,0,1|1,0,0]=3 5867 B16R1.688 N#CCCNNC(=O)CCc1ccccc1 22a_100000229987_100000185753 [0,1,0,0,0,1|1,0,1]=4 5868 B16R1.688 N#CCCNNC(=O)COc1ccccc1 22a_100000229987_100000186222 [0,1,0,0,0,1|1,0,1]=4 5869 B16R1.688 N#CCCNNC(=O)CSc1ccccc1 22a_100000229987_100000211596 [0,1,0,0,0,1|1,0,1]=4 5870 B16R1.688 N#CCCNNC(=O)NCc1ccccc1 273464a_100015324214_100000229987 [0,1,0,0,0,1|1,0,1]=4 5871 B16R1.688 N#CCCNNC(=O)NCc1ccccc1 512a_100000229987_100015324214 [0,1,0,0,0,1|1,0,1]=4 5872 B16R1.688 N#CCCNNC(=O)NCc1ccccc1 512a_100015324214_100000229987 [0,1,0,0,0,1|1,0,1]=4 5873 B16R1.1216 C#CCCNC(C)C(=O)Nc1ccccc1 2230a_100000754830_100000688953 [0,1,0,0,0,1|1,0,1]=4 5874 B16R1.1216 C#CCCNC(C)C(=O)Nc1ccccc1 34a_100000754830_100000688953 [0,1,0,0,0,1|1,0,1]=4 5875 B16R1.1216 C#CCCNC(C)C(=O)Nc1ccccc1 34a_100000755551_100000183986 [0,1,0,0,0,1|1,0,1]=4 5876 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCC#N 11a_100000720768_100000066491 [0,1,0,0,0,1|1,0,1]=4 5877 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCC#N 1626a_100000720768_100000066491 [0,1,0,0,0,1|1,0,1]=4 5878 B16R1.1216 C=CCCNC(C)C(C)Cc1ccccc1 269862a_100015191253_200011390852 [0,1,0,0,0,1|1,0,1]=4 5879 B16R1.1216 C=CCCNC(C)C(C)Cc1ccccc1 270004a_100015191253_200011390852 [0,1,0,0,0,1|1,0,1]=4 5880 B16R1.1216 C=CCCNC(C)C(C)Oc1ccccc1 270004a_100015191253_100000150574 [0,1,0,0,0,1|1,0,1]=4 5881 B16R1.1216 CC(CCCC#N)N(C)Cc1ccccc1 270004a_100000186898_200000032708 [0,1,0,0,0,1|1,0,0]=3 5882 B16R1.1216 CC(CCCC#N)N(C)Cc1ccccn1 270004a_100000207498_200000032708 [0,1,0,0,0,1|2,0,0]=4 5883 B16R1.1216 CC(CCCC#N)N(C)Cc1cccnc1 270004a_100000184577_200000032708 [0,1,0,0,0,1|2,0,0]=4 5884 B16R1.1216 CC(CCCC#N)N(C)Cc1ccncc1 270004a_100000187231_200000032708 [0,1,0,0,0,1|2,0,0]=4 5885 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N 11a_100000720768_100000754839 [0,1,0,0,0,1|1,0,1]=4 5886 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N 1626a_100000720768_100000754839 [0,1,0,0,0,1|1,0,1]=4 5887 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N 240690a_100000720768_100000754839 [0,1,0,0,0,1|1,0,1]=4 5888 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N 527a_100000720768_100000754839 [0,1,0,0,0,1|1,0,1]=4 5889 B16R1.1216 CC(Cc1ccccc1)C(C)NCCC#N 270004a_100000720768_200011390852 [0,1,0,0,0,1|0,0,0]=2 5890 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCF 269862a_100015189416_200011390852 [0,1,0,0,0,1|1,0,1]=4 5891 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCF 270004a_100015189416_200011390852 [0,1,0,0,0,1|1,0,1]=4 5892 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCO 269862a_100000182051_200011390852 [0,1,0,0,0,1|1,0,1]=4 5893 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCO 270004a_100000182051_200011390852 [0,1,0,0,0,1|1,0,1]=4 5894 B16R1.1216 CC(NCCC#N)C(=O)Nc1ccccc1 2230a_100000754830_100011215226 [0,1,0,0,0,1|0,0,1]=3 5895 B16R1.1216 CC(NCCC#N)C(C)Oc1ccccc1 270004a_100000720768_100000150574 [0,1,0,0,0,1|0,0,0]=2 5896 B16R1.1216 CC(NCCCF)C(C)Oc1ccccc1 270004a_100015189416_100000150574 [0,1,0,0,0,1|1,0,1]=4 5897 B16R1.1216 CC(NCCCO)C(C)Oc1ccccc1 270004a_100000182051_100000150574 [0,1,0,0,0,1|1,0,1]=4 5898 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCC#N 11a_100000720768_100000188414 [0,1,0,0,0,1|1,0,1]=4 5899 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCC#N 1626a_100000720768_100000188414 [0,1,0,0,0,1|1,0,1]=4 5900 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCC#N 240690a_100000720768_100000188414 [0,1,0,0,0,1|1,0,1]=4 5901 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCC#N 527a_100000720768_100000188414 [0,1,0,0,0,1|1,0,1]=4 5902 B16R1.1216 CC(SCCC#N)C(=O)Nc1ccccc1 62a_100000183986_100011215226 [0,1,0,0,0,1|1,0,1]=4 5903 B16R1.1216 CC(SCCC#N)C(=O)Nc1ccccc1 62a_100011215226_100000183986 [0,1,0,0,0,1|1,0,1]=4 5904 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCC#N 11a_100000720768_100000199063 [0,1,0,0,0,1|1,0,1]=4 5905 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCC#N 1626a_100000720768_100000199063 [0,1,0,0,0,1|1,0,1]=4 5906 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCC#N 240690a_100000720768_100000199063 [0,1,0,0,0,1|1,0,1]=4 5907 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCC#N 527a_100000720768_100000199063 [0,1,0,0,0,1|1,0,1]=4 5908 B16R1.1216 CCCCNC(C)C(C)Cc1ccccc1 269862a_100000102301_200011390852 [0,1,0,0,0,1|1,0,1]=4 5909 B16R1.1216 CCCCNC(C)C(C)Cc1ccccc1 270004a_100000102301_200011390852 [0,1,0,0,0,1|1,0,1]=4 5910 B16R1.1216 CCCCNC(C)C(C)Oc1ccccc1 270004a_100000102301_100000150574 [0,1,0,0,0,1|1,0,1]=4 5911 B16R1.1216 CN(Cc1ccccc1)C(=O)NCCC#N 2708a_100000720768_100000186898 [0,1,0,0,0,1|1,0,1]=4 5912 B16R1.1216 CN(Cc1ccccc1)C(=O)NCCC#N 273464a_100000720768_100000186898 [0,1,0,0,0,1|1,0,1]=4 5913 B16R1.1216 COCCNC(C)C(C)Cc1ccccc1 269862a_100000209980_200011390852 [0,1,0,0,0,1|2,0,0]=4 5914 B16R1.1216 COCCNC(C)C(C)Cc1ccccc1 270004a_100000209980_200011390852 [0,1,0,0,0,1|2,0,0]=4 5915 B16R1.1216 COCCNC(C)C(C)Oc1ccccc1 270004a_100000209980_100000150574 [0,1,0,0,0,1|2,0,0]=4 5916 B16R1.1216 CSCCNC(C)C(C)Cc1ccccc1 269862a_100020590264_200011390852 [0,1,0,0,0,1|2,0,0]=4 5917 B16R1.1216 CSCCNC(C)C(C)Cc1ccccc1 270004a_100020590264_200011390852 [0,1,0,0,0,1|2,0,0]=4 5918 B16R1.1216 CSCCNC(C)C(C)Oc1ccccc1 270004a_100020590264_100000150574 [0,1,0,0,0,1|2,0,0]=4 5919 B16R1.1216 N#CCCNC(=O)[C@H](O)Cc1ccccc1 240690a_100000720768_100009816399 [0,1,0,0,0,1|1,0,1]=4 5920 B16R1.1343 C=C(C#N)CNC(C)CCc1ccccc1 2230a_100000210798_100000694840 [0,1,0,0,0,1|0,0,1]=3 5921 B16R1.1343 C=C(C#N)CNC(C)CCc1ccccc1 34a_100000210798_100000694840 [0,1,0,0,0,1|0,0,1]=3 5922 B16R1.1343 C=C(C#N)CNC(C)COc1ccccc1 2230a_100000746794_100000694840 [0,1,0,0,0,1|0,0,1]=3 5923 B16R1.1343 C=C(C#N)CNC(C)COc1ccccc1 34a_100000746794_100000694840 [0,1,0,0,0,1|0,0,1]=3 5924 B16R1.1343 C=C(C#N)COC(C)COc1ccccc1 34a_100000210911_100000694840 [0,1,0,0,0,1|1,0,1]=4 5925 B16R1.1343 C=C(C#N)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100000694840 [0,1,0,0,0,1|1,0,1]=4 5926 B16R1.1343 C=CC(O)CNC(C)CCc1ccccc1 2230a_100000210798_100000730141 [0,1,0,0,0,1|1,0,1]=4 5927 B16R1.1343 C=CC(O)CNC(C)CCc1ccccc1 34a_100000210798_100000730141 [0,1,0,0,0,1|1,0,1]=4 5928 B16R1.1343 C=CC(O)CNC(C)COc1ccccc1 2230a_100000746794_100000730141 [0,1,0,0,0,1|1,0,1]=4 5929 B16R1.1343 C=CC(O)CNC(C)COc1ccccc1 34a_100000746794_100000730141 [0,1,0,0,0,1|1,0,1]=4 5930 B16R1.1343 CC(CCc1ccccc1)NCC(O)CO 2230a_100000210798_100011219619 [0,1,0,0,0,1|1,0,1]=4 5931 B16R1.1343 CC(CCc1ccccc1)NCC(O)CO 34a_100000210798_100011219619 [0,1,0,0,0,1|1,0,1]=4 5932 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](C)CO 2230a_100000210798_100000059175 [0,1,0,0,0,1|1,0,1]=4 5933 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](C)CO 34a_100000210798_100000059175 [0,1,0,0,0,1|1,0,1]=4 5934 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000210092 [0,1,0,0,0,1|1,0,1]=4 5935 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CF 2230a_100000210798_100015614560 [0,1,0,0,0,1|1,0,1]=4 5936 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CF 34a_100000210798_100015614560 [0,1,0,0,0,1|1,0,1]=4 5937 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CO 2230a_100000210798_100009815848 [0,1,0,0,0,1|1,0,1]=4 5938 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CO 34a_100000210798_100009815848 [0,1,0,0,0,1|1,0,1]=4 5939 B16R1.1343 CC(COc1ccccc1)NCC(O)CO 2230a_100000746794_100011219619 [0,1,0,0,0,1|1,0,1]=4 5940 B16R1.1343 CC(COc1ccccc1)NCC(O)CO 34a_100000746794_100011219619 [0,1,0,0,0,1|1,0,1]=4 5941 B16R1.1343 CC(COc1ccccc1)NC[C@@H](C)CO 2230a_100000746794_100000059175 [0,1,0,0,0,1|1,0,1]=4 5942 B16R1.1343 CC(COc1ccccc1)NC[C@@H](C)CO 34a_100000746794_100000059175 [0,1,0,0,0,1|1,0,1]=4 5943 B16R1.1343 CC(COc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000150576 [0,1,0,0,0,1|1,0,1]=4 5944 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CF 2230a_100000746794_100015614560 [0,1,0,0,0,1|1,0,1]=4 5945 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CF 34a_100000746794_100015614560 [0,1,0,0,0,1|1,0,1]=4 5946 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CO 2230a_100000746794_100009815848 [0,1,0,0,0,1|1,0,1]=4 5947 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CO 34a_100000746794_100009815848 [0,1,0,0,0,1|1,0,1]=4 5948 B16R1.1343 CC(CSc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000150717 [0,1,0,0,0,1|1,0,1]=4 5949 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 2230a_100000210798_100000748023 [0,1,0,0,0,1|1,0,1]=4 5950 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 270004a_100000210798_100000243153 [0,1,0,0,0,1|1,0,1]=4 5951 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 270004a_100020588543_100000210092 [0,1,0,0,0,1|1,0,1]=4 5952 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 34a_100000210798_100000748023 [0,1,0,0,0,1|1,0,1]=4 5953 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 2230a_100000746794_100000748023 [0,1,0,0,0,1|1,0,1]=4 5954 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 270004a_100000746794_100000243153 [0,1,0,0,0,1|1,0,1]=4 5955 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 270004a_100020588543_100000150576 [0,1,0,0,0,1|1,0,1]=4 5956 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 34a_100000746794_100000748023 [0,1,0,0,0,1|1,0,1]=4 5957 B16R1.1343 CCC(C)CNC(C)CSc1ccccc1 270004a_100020588543_100000150717 [0,1,0,0,0,1|1,0,1]=4 5958 B16R1.1343 CCC(O)CNC(C)CCc1ccccc1 2230a_100000210798_100011218378 [0,1,0,0,0,1|1,0,1]=4 5959 B16R1.1343 CCC(O)CNC(C)CCc1ccccc1 270004a_100011218483_100000210092 [0,1,0,0,0,1|1,0,1]=4 5960 B16R1.1343 CCC(O)CNC(C)CCc1ccccc1 34a_100000210798_100011218378 [0,1,0,0,0,1|1,0,1]=4 5961 B16R1.1343 CCC(O)CNC(C)COc1ccccc1 2230a_100000746794_100011218378 [0,1,0,0,0,1|1,0,1]=4 5962 B16R1.1343 CCC(O)CNC(C)COc1ccccc1 270004a_100011218483_100000150576 [0,1,0,0,0,1|1,0,1]=4 5963 B16R1.1343 CCC(O)CNC(C)COc1ccccc1 34a_100000746794_100011218378 [0,1,0,0,0,1|1,0,1]=4 5964 B16R1.1343 CCC(O)CNC(C)CSc1ccccc1 270004a_100011218483_100000150717 [0,1,0,0,0,1|1,0,1]=4 5965 B16R1.1343 CC[C@H](C)CNC(C)CCc1ccccc1 2230a_100000210798_100009816398 [0,1,0,0,0,1|1,0,1]=4 5966 B16R1.1343 CC[C@H](C)CNC(C)CCc1ccccc1 34a_100000210798_100009816398 [0,1,0,0,0,1|1,0,1]=4 5967 B16R1.1343 CC[C@H](C)CNC(C)COc1ccccc1 2230a_100000746794_100009816398 [0,1,0,0,0,1|1,0,1]=4 5968 B16R1.1343 CC[C@H](C)CNC(C)COc1ccccc1 34a_100000746794_100009816398 [0,1,0,0,0,1|1,0,1]=4 5969 B16R1.1343 CO[C@H](C)CNC(C)CCc1ccccc1 270004a_100020591295_100000210092 [0,1,0,0,0,1|2,0,0]=4 5970 B16R1.1343 CO[C@H](C)CNC(C)COc1ccccc1 270004a_100020591295_100000150576 [0,1,0,0,0,1|2,0,0]=4 5971 B16R1.1343 CO[C@H](C)CNC(C)CSc1ccccc1 270004a_100020591295_100000150717 [0,1,0,0,0,1|2,0,0]=4 5972 B16R1.1516 C#CCCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000753159 [0,1,0,0,0,1|2,0,0]=4 5973 B16R1.1516 C#CCCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000753159 [0,1,0,0,0,1|2,0,0]=4 5974 B16R1.1516 C#CCCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000753159 [0,1,0,0,0,1|2,0,0]=4 5975 B16R1.1516 C=CCCN(C)C(C)CCc1ccccc1 270004a_100020639649_100000210092 [0,1,0,0,0,1|1,0,1]=4 5976 B16R1.1516 C=CCCN(C)C(C)COc1ccccc1 270004a_100020639649_100000150576 [0,1,0,0,0,1|1,0,1]=4 5977 B16R1.1516 C=CCCN(C)C(C)CSc1ccccc1 270004a_100020639649_100000150717 [0,1,0,0,0,1|1,0,1]=4 5978 B16R1.1516 CC(CCc1ccccc1)C(=O)CCC#N 1458a_100011435293_100011215226 [0,1,0,0,0,1|1,0,0]=3 5979 B16R1.1516 CC(CCc1ccccc1)C(=O)NCC#N 1626a_100000734998_100011435293 [0,1,0,0,0,1|2,0,0]=4 5980 B16R1.1516 CC(CCc1ccccc1)C(=O)NCC#N 527a_100000734998_100011435293 [0,1,0,0,0,1|2,0,0]=4 5981 B16R1.1516 CC(CCc1ccccc1)N(C)CCC#N 270004a_100000184479_100000210092 [0,1,0,0,0,1|0,0,0]=2 5982 B16R1.1516 CC(CCc1ccccc1)N(C)CCCO 270004a_100000213112_100000210092 [0,1,0,0,0,1|1,0,1]=4 5983 B16R1.1516 CC(COc1ccccc1)N(C)CCC#N 270004a_100000184479_100000150576 [0,1,0,0,0,1|0,0,0]=2 5984 B16R1.1516 CC(COc1ccccc1)N(C)CCCO 270004a_100000213112_100000150576 [0,1,0,0,0,1|1,0,1]=4 5985 B16R1.1516 CC(CSc1ccccc1)N(C)CCC#N 270004a_100000184479_100000150717 [0,1,0,0,0,1|0,0,0]=2 5986 B16R1.1516 CC(CSc1ccccc1)N(C)CCCO 270004a_100000213112_100000150717 [0,1,0,0,0,1|1,0,1]=4 5987 B16R1.1516 CC(SCc1ccccc1)C(=O)CCC#N 1458a_100000149570_100011215226 [0,1,0,0,0,1|1,0,0]=3 5988 B16R1.1516 CC(SCc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000149570 [0,1,0,0,0,1|2,0,0]=4 5989 B16R1.1516 CC(SCc1ccccc1)C(=O)NCC#N 527a_100000734998_100000149570 [0,1,0,0,0,1|2,0,0]=4 5990 B16R1.1516 CCCCN(C)C(C)CCc1ccccc1 270004a_100000207549_100000210092 [0,1,0,0,0,1|1,0,1]=4 5991 B16R1.1516 CCCCN(C)C(C)COc1ccccc1 270004a_100000207549_100000150576 [0,1,0,0,0,1|1,0,1]=4 5992 B16R1.1516 CCCCN(C)C(C)CSc1ccccc1 270004a_100000207549_100000150717 [0,1,0,0,0,1|1,0,1]=4 5993 B16R1.1516 CN(CCC#N)C(=O)CCc1ccccc1 11a_100000184479_100000185753 [0,1,0,0,0,1|1,0,1]=4 5994 B16R1.1516 CN(CCC#N)C(=O)CCc1ccccc1 1626a_100000184479_100000185753 [0,1,0,0,0,1|1,0,1]=4 5995 B16R1.1516 CN(CCC#N)C(=O)CCc1ccccc1 240690a_100000184479_100000185753 [0,1,0,0,0,1|1,0,1]=4 5996 B16R1.1516 CN(CCC#N)C(=O)CCc1ccccc1 527a_100000184479_100000185753 [0,1,0,0,0,1|1,0,1]=4 5997 B16R1.1516 CN(CCC#N)C(=O)COc1ccccc1 11a_100000184479_100000186222 [0,1,0,0,0,1|1,0,1]=4 5998 B16R1.1516 CN(CCC#N)C(=O)COc1ccccc1 1626a_100000184479_100000186222 [0,1,0,0,0,1|1,0,1]=4 5999 B16R1.1516 CN(CCC#N)C(=O)COc1ccccc1 240690a_100000184479_100000186222 [0,1,0,0,0,1|1,0,1]=4 6000 B16R1.1516 CN(CCC#N)C(=O)COc1ccccc1 527a_100000184479_100000186222 [0,1,0,0,0,1|1,0,1]=4 6001 B16R1.1516 CN(CCC#N)C(=O)CSc1ccccc1 11a_100000184479_100000211596 [0,1,0,0,0,1|1,0,1]=4 6002 B16R1.1516 CN(CCC#N)C(=O)CSc1ccccc1 1626a_100000184479_100000211596 [0,1,0,0,0,1|1,0,1]=4 6003 B16R1.1516 CN(CCC#N)C(=O)CSc1ccccc1 240690a_100000184479_100000211596 [0,1,0,0,0,1|1,0,1]=4 6004 B16R1.1516 CN(CCC#N)C(=O)CSc1ccccc1 527a_100000184479_100000211596 [0,1,0,0,0,1|1,0,1]=4 6005 B16R1.1516 CN(CCC#N)C(=O)NCc1ccccc1 2708a_100015324214_100000184479 [0,1,0,0,0,1|1,0,1]=4 6006 B16R1.1516 CN(CCC#N)C(=O)NCc1ccccc1 273464a_100015324214_100000184479 [0,1,0,0,0,1|1,0,1]=4 6007 B16R1.1516 CN(CCc1ccccc1)C(=O)CCC#N 11a_100000207497_100011934036 [0,1,0,0,0,1|2,0,0]=4 6008 B16R1.1516 CN(CCc1ccccc1)C(=O)CCC#N 1626a_100000207497_100011934036 [0,1,0,0,0,1|2,0,0]=4 6009 B16R1.1516 CN(CCc1ccccc1)C(=O)CCC#N 240690a_100000207497_100011934036 [0,1,0,0,0,1|2,0,0]=4 6010 B16R1.1516 CN(CCc1ccccc1)C(=O)CCC#N 527a_100000207497_100011934036 [0,1,0,0,0,1|2,0,0]=4 6011 B16R1.1516 COCCN(C)C(C)CCc1ccccc1 270004a_100000743101_100000210092 [0,1,0,0,0,1|2,0,0]=4 6012 B16R1.1516 COCCN(C)C(C)COc1ccccc1 270004a_100000743101_100000150576 [0,1,0,0,0,1|2,0,0]=4 6013 B16R1.1516 COCCN(C)C(C)CSc1ccccc1 270004a_100000743101_100000150717 [0,1,0,0,0,1|2,0,0]=4 6014 B16R1.1516 CSCCN(C)C(C)CCc1ccccc1 270004a_100000686725_100000210092 [0,1,0,0,0,1|2,0,0]=4 6015 B16R1.1516 CSCCN(C)C(C)COc1ccccc1 270004a_100000686725_100000150576 [0,1,0,0,0,1|2,0,0]=4 6016 B16R1.1516 CSCCN(C)C(C)CSc1ccccc1 270004a_100000686725_100000150717 [0,1,0,0,0,1|2,0,0]=4 6017 B16R1.1516 C[C@H](OCc1ccccc1)C(=O)CCC#N 1458a_100000703211_100011215226 [0,1,0,0,0,1|1,0,0]=3 6018 B16R1.1516 C[C@H](OCc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000703211 [0,1,0,0,0,1|2,0,0]=4 6019 B16R1.1516 C[C@H](OCc1ccccc1)C(=O)NCC#N 527a_100000734998_100000703211 [0,1,0,0,0,1|2,0,0]=4 6020 B16R1.1516 N#CCCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100011215226 [0,1,0,0,0,1|2,0,0]=4 6021 B16R1.1570 C#CCC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100011220946 [0,1,0,0,0,1|1,0,1]=4 6022 B16R1.1570 C#CCC(=O)NC(C)CCc1ccccc1 527a_100000210798_100011220946 [0,1,0,0,0,1|1,0,1]=4 6023 B16R1.1570 C#CCC(=O)NC(C)COc1ccccc1 1626a_100000746794_100011220946 [0,1,0,0,0,1|1,0,1]=4 6024 B16R1.1570 C#CCC(=O)NC(C)COc1ccccc1 527a_100000746794_100011220946 [0,1,0,0,0,1|1,0,1]=4 6025 B16R1.1570 CC(C#Cc1ccccc1)OC(C)CC#N 7a_200000065209_100009813641 [0,1,0,0,0,1|1,0,1]=4 6026 B16R1.1570 CC(CC#N)NC(C)CCc1ccccc1 2230a_100000210798_100009813641 [0,1,0,0,0,1|0,0,0]=2 6027 B16R1.1570 CC(CC#N)NC(C)COc1ccccc1 2230a_100000746794_100009813641 [0,1,0,0,0,1|0,0,0]=2 6028 B16R1.1570 CC(CC#N)OC(C)COc1ccccc1 7a_100000210911_100009813641 [0,1,0,0,0,1|1,0,0]=3 6029 B16R1.1570 CC(CC#N)O[C@@H](C)CCc1ccccc1 7a_100009815974_100009813641 [0,1,0,0,0,1|1,0,0]=3 6030 B16R1.1570 CC(CCO)NC(C)CCc1ccccc1 2230a_100000210798_100009893172 [0,1,0,0,0,1|1,0,1]=4 6031 B16R1.1570 CC(CCO)NC(C)CCc1ccccc1 34a_100000210798_100009893172 [0,1,0,0,0,1|1,0,1]=4 6032 B16R1.1570 CC(CCO)NC(C)COc1ccccc1 2230a_100000746794_100009893172 [0,1,0,0,0,1|1,0,1]=4 6033 B16R1.1570 CC(CCO)NC(C)COc1ccccc1 34a_100000746794_100009893172 [0,1,0,0,0,1|1,0,1]=4 6034 B16R1.1570 CC(CCc1ccccc1)NC(=O)CC#N 1626a_100000210798_100051588842 [0,1,0,0,0,1|0,0,1]=3 6035 B16R1.1570 CC(CCc1ccccc1)NC(=O)CC#N 240690a_100000210798_100051588842 [0,1,0,0,0,1|0,0,1]=3 6036 B16R1.1570 CC(CCc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000210092 [0,1,0,0,0,1|1,0,1]=4 6037 B16R1.1570 CC(COc1ccccc1)NC(=O)CC#N 1626a_100000746794_100051588842 [0,1,0,0,0,1|0,0,1]=3 6038 B16R1.1570 CC(COc1ccccc1)NC(=O)CC#N 240690a_100000746794_100051588842 [0,1,0,0,0,1|0,0,1]=3 6039 B16R1.1570 CC(COc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000150576 [0,1,0,0,0,1|1,0,1]=4 6040 B16R1.1570 CC(CSc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000150717 [0,1,0,0,0,1|1,0,1]=4 6041 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000766640 [0,1,0,0,0,1|1,0,1]=4 6042 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 270004a_100000210798_100000211909 [0,1,0,0,0,1|1,0,1]=4 6043 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 270004a_100000741246_100000210092 [0,1,0,0,0,1|1,0,1]=4 6044 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 34a_100000210798_100000766640 [0,1,0,0,0,1|1,0,1]=4 6045 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 2230a_100000746794_100000766640 [0,1,0,0,0,1|1,0,1]=4 6046 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 270004a_100000741246_100000150576 [0,1,0,0,0,1|1,0,1]=4 6047 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 270004a_100000746794_100000211909 [0,1,0,0,0,1|1,0,1]=4 6048 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 34a_100000746794_100000766640 [0,1,0,0,0,1|1,0,1]=4 6049 B16R1.1570 CCCC(C)NC(C)CSc1ccccc1 270004a_100000741246_100000150717 [0,1,0,0,0,1|1,0,1]=4 6050 B16R1.1570 CN(CCc1ccccc1)C[C@@H](O)CC#N 2230a_100000207497_100000001066 [0,1,0,0,0,1|2,0,0]=4 6051 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000765312 [0,1,0,0,0,1|2,0,0]=4 6052 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 270004a_100000210798_100000749346 [0,1,0,0,0,1|2,0,0]=4 6053 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 34a_100000210798_100000765312 [0,1,0,0,0,1|2,0,0]=4 6054 B16R1.1570 COCC(C)NC(C)COc1ccccc1 2230a_100000746794_100000765312 [0,1,0,0,0,1|2,0,0]=4 6055 B16R1.1570 COCC(C)NC(C)COc1ccccc1 270004a_100000746794_100000749346 [0,1,0,0,0,1|2,0,0]=4 6056 B16R1.1570 COCC(C)NC(C)COc1ccccc1 34a_100000746794_100000765312 [0,1,0,0,0,1|2,0,0]=4 6057 B16R1.1570 COC[C@@H](C)NC(C)CCc1ccccc1 270004a_100000764878_100000210092 [0,1,0,0,0,1|2,0,0]=4 6058 B16R1.1570 COC[C@@H](C)NC(C)COc1ccccc1 270004a_100000764878_100000150576 [0,1,0,0,0,1|2,0,0]=4 6059 B16R1.1570 COC[C@@H](C)NC(C)CSc1ccccc1 270004a_100000764878_100000150717 [0,1,0,0,0,1|2,0,0]=4 6060 B16R1.1570 CSCC(C)NC(C)CCc1ccccc1 270004a_100000210798_100011216314 [0,1,0,0,0,1|2,0,0]=4 6061 B16R1.1570 CSCC(C)NC(C)COc1ccccc1 270004a_100000746794_100011216314 [0,1,0,0,0,1|2,0,0]=4 6062 B16R1.1570 C[C@@H](CC#N)NC(=O)CCc1ccccc1 11a_100016994482_100000185753 [0,1,0,0,0,1|1,0,1]=4 6063 B16R1.1570 C[C@@H](CC#N)NC(=O)CCc1ccccc1 1626a_100016994482_100000185753 [0,1,0,0,0,1|1,0,1]=4 6064 B16R1.1570 C[C@@H](CC#N)NC(=O)CCc1ccccc1 240690a_100016994482_100000185753 [0,1,0,0,0,1|1,0,1]=4 6065 B16R1.1570 C[C@@H](CC#N)NC(=O)CCc1ccccc1 527a_100016994482_100000185753 [0,1,0,0,0,1|1,0,1]=4 6066 B16R1.1570 C[C@@H](CC#N)NC(=O)COc1ccccc1 11a_100016994482_100000186222 [0,1,0,0,0,1|1,0,1]=4 6067 B16R1.1570 C[C@@H](CC#N)NC(=O)COc1ccccc1 1626a_100016994482_100000186222 [0,1,0,0,0,1|1,0,1]=4 6068 B16R1.1570 C[C@@H](CC#N)NC(=O)COc1ccccc1 240690a_100016994482_100000186222 [0,1,0,0,0,1|1,0,1]=4 6069 B16R1.1570 C[C@@H](CC#N)NC(=O)COc1ccccc1 527a_100016994482_100000186222 [0,1,0,0,0,1|1,0,1]=4 6070 B16R1.1570 C[C@@H](CC#N)NC(=O)CSc1ccccc1 11a_100016994482_100000211596 [0,1,0,0,0,1|1,0,1]=4 6071 B16R1.1570 C[C@@H](CC#N)NC(=O)CSc1ccccc1 1626a_100016994482_100000211596 [0,1,0,0,0,1|1,0,1]=4 6072 B16R1.1570 C[C@@H](CC#N)NC(=O)CSc1ccccc1 240690a_100016994482_100000211596 [0,1,0,0,0,1|1,0,1]=4 6073 B16R1.1570 C[C@@H](CC#N)NC(=O)CSc1ccccc1 527a_100016994482_100000211596 [0,1,0,0,0,1|1,0,1]=4 6074 B16R1.1570 C[C@@H](CC#N)NC(=O)NCc1ccccc1 2708a_100015324214_100016994482 [0,1,0,0,0,1|1,0,1]=4 6075 B16R1.1570 C[C@@H](CC#N)NC(=O)NCc1ccccc1 2708a_100016994482_100015324214 [0,1,0,0,0,1|1,0,1]=4 6076 B16R1.1570 C[C@@H](CC#N)NC(=O)NCc1ccccc1 273464a_100015324214_100016994482 [0,1,0,0,0,1|1,0,1]=4 6077 B16R1.1570 C[C@@H](CC#N)NC(=O)NCc1ccccc1 273464a_100016994482_100015324214 [0,1,0,0,0,1|1,0,1]=4 6078 B16R1.1570 C[C@@H](CC#N)NC(=O)NCc1ccccc1 512a_100015324214_100016994482 [0,1,0,0,0,1|1,0,1]=4 6079 B16R1.1570 C[C@@H](CC#N)NC(=O)NCc1ccccc1 512a_100016994482_100015324214 [0,1,0,0,0,1|1,0,1]=4 6080 B16R1.1696 C#CCCNC(C)COc1ccccc1C 2230a_100000744241_100000688953 [0,1,0,0,0,1|1,0,0]=3 6081 B16R1.1696 C#CCCNC(C)COc1ccccc1C 34a_100000744241_100000688953 [0,1,0,0,0,1|1,0,0]=3 6082 B16R1.1696 C#CCCOC(C)COc1ccccc1C 34a_200011217337_100000688953 [0,1,0,0,0,1|2,0,0]=4 6083 B16R1.1696 C#CCCOC(C)COc1ccccc1C 7a_200011217337_100000688953 [0,1,0,0,0,1|2,0,0]=4 6084 B16R1.1696 C=CCCNC(C)COc1ccccc1C 2230a_100000744241_100000754431 [0,1,0,0,0,1|1,0,1]=4 6085 B16R1.1696 C=CCCNC(C)COc1ccccc1C 34a_100000744241_100000754431 [0,1,0,0,0,1|1,0,1]=4 6086 B16R1.1696 CC#CCNC(C)COc1ccccc1C 2230a_100000744241_100000748600 [0,1,0,0,0,1|1,0,1]=4 6087 B16R1.1696 CC#CCNC(C)COc1ccccc1C 34a_100000744241_100000748600 [0,1,0,0,0,1|1,0,1]=4 6088 B16R1.1696 CC(CCCC#N)NCc1ccccc1Br 270004a_100000689332_200000032708 [0,1,0,0,0,1|1,0,0]=3 6089 B16R1.1696 CC(CCCC#N)NCc1ccccc1Cl 270004a_100000174879_200000032708 [0,1,0,0,0,1|1,0,0]=3 6090 B16R1.1696 CC(CCCC#N)NCc1ccccc1F 270004a_100000174869_200000032708 [0,1,0,0,0,1|1,0,0]=3 6091 B16R1.1696 CC(CCCC#N)NCc1ccccc1I 270004a_100015347259_200000032708 [0,1,0,0,0,1|1,0,0]=3 6092 B16R1.1696 CC(CCCC#N)NCc1ccccc1O 270004a_100000185550_200000032708 [0,1,0,0,0,1|1,0,0]=3 6093 B16R1.1696 CC(CCCC#N)NCc1cccnc1Br 270004a_100009818023_200000032708 [0,1,0,0,0,1|2,0,0]=4 6094 B16R1.1696 CC(CCCC#N)NCc1cccnc1F 270004a_100000724633_200000032708 [0,1,0,0,0,1|2,0,0]=4 6095 B16R1.1696 CC(CCCC#N)NCc1ccncc1Br 270004a_100020640021_200000032708 [0,1,0,0,0,1|2,0,0]=4 6096 B16R1.1696 CC(CCCC#N)NCc1ccncc1F 270004a_100011935246_200000032708 [0,1,0,0,0,1|2,0,0]=4 6097 B16R1.1696 CC(CCCC#N)NCc1ncccc1Br 270004a_100020591323_200000032708 [0,1,0,0,0,1|2,0,0]=4 6098 B16R1.1696 CC(CCCC#N)NCc1ncccc1Cl 270004a_100015189233_200000032708 [0,1,0,0,0,1|2,0,0]=4 6099 B16R1.1696 CC(CCCC#N)NCc1ncccc1F 270004a_100000690088_200000032708 [0,1,0,0,0,1|2,0,0]=4 6100 B16R1.1696 CCCCNC(C)COc1ccccc1C 2230a_100000744241_100000210211 [0,1,0,0,0,1|1,0,1]=4 6101 B16R1.1696 CCCCNC(C)COc1ccccc1C 34a_100000744241_100000210210 [0,1,0,0,0,1|1,0,1]=4 6102 B16R1.1696 CN(CCCC#N)CCc1ccccc1F 2230a_100000232559_100000687738 [0,1,0,0,0,1|2,0,0]=4 6103 B16R1.1696 CN(CCCC#N)CCc1ccccc1F 269982a_100000232559_100000687738 [0,1,0,0,0,1|2,0,0]=4 6104 B16R1.1696 COCCNC(C)COc1ccccc1C 2230a_100000744241_100011201679 [0,1,0,0,0,1|2,0,0]=4 6105 B16R1.1696 COCCNC(C)COc1ccccc1C 34a_100000744241_100011201679 [0,1,0,0,0,1|2,0,0]=4 6106 B16R1.1696 CSCCNC(C)COc1ccccc1C 2230a_100000744241_100000751147 [0,1,0,0,0,1|2,0,0]=4 6107 B16R1.1696 CSCCNC(C)COc1ccccc1C 34a_100000744241_100000212216 [0,1,0,0,0,1|2,0,0]=4 6108 B16R1.1696 Cc1ccccc1CCC(=O)NCCC#N 11a_100000720768_100000748742 [0,1,0,0,0,1|1,0,1]=4 6109 B16R1.1696 Cc1ccccc1CCC(=O)NCCC#N 1626a_100000720768_100000748742 [0,1,0,0,0,1|1,0,1]=4 6110 B16R1.1696 Cc1ccccc1CCC(=O)NCCC#N 240690a_100000720768_100000748742 [0,1,0,0,0,1|1,0,1]=4 6111 B16R1.1696 Cc1ccccc1CCC(=O)NCCC#N 527a_100000720768_100000748742 [0,1,0,0,0,1|1,0,1]=4 6112 B16R1.1696 Cc1ccccc1CNC(=O)NCCC#N 2708a_100000174972_100000720768 [0,1,0,0,0,1|1,0,1]=4 6113 B16R1.1696 Cc1ccccc1CNC(=O)NCCC#N 2708a_100000720768_100000174972 [0,1,0,0,0,1|1,0,1]=4 6114 B16R1.1696 Cc1ccccc1CNC(=O)NCCC#N 273464a_100000174972_100000720768 [0,1,0,0,0,1|1,0,1]=4 6115 B16R1.1696 Cc1ccccc1CNC(=O)NCCC#N 273464a_100000720768_100000174972 [0,1,0,0,0,1|1,0,1]=4 6116 B16R1.1696 Cc1ccccc1CNC(=O)NCCC#N 512a_100000174972_100000720768 [0,1,0,0,0,1|1,0,1]=4 6117 B16R1.1696 Cc1ccccc1CNC(=O)NCCC#N 512a_100000720768_100000174972 [0,1,0,0,0,1|1,0,1]=4 6118 B16R1.1696 Cc1ccccc1CNC(C)CCCC#N 270004a_100000174972_200000032708 [0,1,0,0,0,1|1,0,0]=3 6119 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N 11a_100000720768_100000182418 [0,1,0,0,0,1|1,0,1]=4 6120 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N 1626a_100000720768_100000182418 [0,1,0,0,0,1|1,0,1]=4 6121 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N 240690a_100000720768_100000182418 [0,1,0,0,0,1|1,0,1]=4 6122 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N 527a_100000720768_100000182418 [0,1,0,0,0,1|1,0,1]=4 6123 B16R1.1696 Cc1ccccc1OCC(C)NCCC#N 2230a_100000744241_100011215226 [0,1,0,0,0,1|0,0,0]=2 6124 B16R1.1696 Cc1ccccc1OCC(C)NCCCF 2230a_100000744241_100011934791 [0,1,0,0,0,1|1,0,1]=4 6125 B16R1.1696 Cc1ccccc1OCC(C)NCCCF 34a_100000744241_100011934791 [0,1,0,0,0,1|1,0,1]=4 6126 B16R1.1696 Cc1ccccc1OCC(C)NCCCO 2230a_100000744241_100000230001 [0,1,0,0,0,1|1,0,1]=4 6127 B16R1.1696 Cc1ccccc1OCC(C)NCCCO 34a_100000744241_100000230001 [0,1,0,0,0,1|1,0,1]=4 6128 B16R1.1696 Cc1ccccc1OCC(C)OCCC#N 7a_200011217337_100000184422 [0,1,0,0,0,1|1,0,0]=3 6129 B16R1.1696 Cc1ccccc1SCC(=O)NCCC#N 11a_100000720768_100000183026 [0,1,0,0,0,1|1,0,1]=4 6130 B16R1.1696 Cc1ccccc1SCC(=O)NCCC#N 1626a_100000720768_100000183026 [0,1,0,0,0,1|1,0,1]=4 6131 B16R1.1696 Cc1ccccc1SCC(=O)NCCC#N 240690a_100000720768_100000183026 [0,1,0,0,0,1|1,0,1]=4 6132 B16R1.1696 Cc1ccccc1SCC(=O)NCCC#N 527a_100000720768_100000183026 [0,1,0,0,0,1|1,0,1]=4 6133 B16R1.1696 Cc1ccncc1CNC(C)CCCC#N 270004a_100011997553_200000032708 [0,1,0,0,0,1|2,0,0]=4 6134 B16R1.1696 Cc1cnccc1CNC(C)CCCC#N 270004a_100000708811_200000032708 [0,1,0,0,0,1|2,0,0]=4 6135 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Br 11a_100000720768_100000740810 [0,1,0,0,0,1|1,0,1]=4 6136 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Br 1626a_100000720768_100000740810 [0,1,0,0,0,1|1,0,1]=4 6137 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Br 240690a_100000720768_100000740810 [0,1,0,0,0,1|1,0,1]=4 6138 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Br 527a_100000720768_100000740810 [0,1,0,0,0,1|1,0,1]=4 6139 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl 11a_100000720768_100000184300 [0,1,0,0,0,1|1,0,1]=4 6140 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl 1626a_100000720768_100000184300 [0,1,0,0,0,1|1,0,1]=4 6141 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl 240690a_100000720768_100000184300 [0,1,0,0,0,1|1,0,1]=4 6142 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl 527a_100000720768_100000184300 [0,1,0,0,0,1|1,0,1]=4 6143 B16R1.1696 N#CCCNC(=O)CCc1ccccc1F 11a_100000720768_100000189703 [0,1,0,0,0,1|1,0,1]=4 6144 B16R1.1696 N#CCCNC(=O)CCc1ccccc1F 1626a_100000720768_100000189703 [0,1,0,0,0,1|1,0,1]=4 6145 B16R1.1696 N#CCCNC(=O)CCc1ccccc1F 240690a_100000720768_100000189703 [0,1,0,0,0,1|1,0,1]=4 6146 B16R1.1696 N#CCCNC(=O)CCc1ccccc1F 527a_100000720768_100000189703 [0,1,0,0,0,1|1,0,1]=4 6147 B16R1.1696 N#CCCNC(=O)CCc1ccccc1I 11a_100000720768_100000037306 [0,1,0,0,0,1|1,0,1]=4 6148 B16R1.1696 N#CCCNC(=O)CCc1ccccc1I 1626a_100000720768_100000037306 [0,1,0,0,0,1|1,0,1]=4 6149 B16R1.1696 N#CCCNC(=O)CCc1ccccc1I 240690a_100000720768_100000037306 [0,1,0,0,0,1|1,0,1]=4 6150 B16R1.1696 N#CCCNC(=O)CCc1ccccc1I 527a_100000720768_100000037306 [0,1,0,0,0,1|1,0,1]=4 6151 B16R1.1696 N#CCCNC(=O)CCc1ccccc1O 11a_100000720768_100000181328 [0,1,0,0,0,1|1,0,1]=4 6152 B16R1.1696 N#CCCNC(=O)CCc1ccccc1O 240690a_100000720768_100000181328 [0,1,0,0,0,1|1,0,1]=4 6153 B16R1.1696 N#CCCNC(=O)CCc1ccccc1O 527a_100000720768_100000181328 [0,1,0,0,0,1|1,0,1]=4 6154 B16R1.1696 N#CCCNC(=O)COc1ccccc1Br 11a_100000720768_100000216496 [0,1,0,0,0,1|1,0,1]=4 6155 B16R1.1696 N#CCCNC(=O)COc1ccccc1Br 1626a_100000720768_100000216496 [0,1,0,0,0,1|1,0,1]=4 6156 B16R1.1696 N#CCCNC(=O)COc1ccccc1Br 240690a_100000720768_100000216496 [0,1,0,0,0,1|1,0,1]=4 6157 B16R1.1696 N#CCCNC(=O)COc1ccccc1Br 527a_100000720768_100000216496 [0,1,0,0,0,1|1,0,1]=4 6158 B16R1.1696 N#CCCNC(=O)COc1ccccc1Cl 11a_100000720768_100000185159 [0,1,0,0,0,1|1,0,1]=4 6159 B16R1.1696 N#CCCNC(=O)COc1ccccc1Cl 1626a_100000720768_100000185159 [0,1,0,0,0,1|1,0,1]=4 6160 B16R1.1696 N#CCCNC(=O)COc1ccccc1Cl 240690a_100000720768_100000185159 [0,1,0,0,0,1|1,0,1]=4 6161 B16R1.1696 N#CCCNC(=O)COc1ccccc1Cl 527a_100000720768_100000185159 [0,1,0,0,0,1|1,0,1]=4 6162 B16R1.1696 N#CCCNC(=O)COc1ccccc1F 11a_100000720768_100000182486 [0,1,0,0,0,1|1,0,1]=4 6163 B16R1.1696 N#CCCNC(=O)COc1ccccc1F 1626a_100000720768_100000182486 [0,1,0,0,0,1|1,0,1]=4 6164 B16R1.1696 N#CCCNC(=O)COc1ccccc1F 240690a_100000720768_100000182486 [0,1,0,0,0,1|1,0,1]=4 6165 B16R1.1696 N#CCCNC(=O)COc1ccccc1F 527a_100000720768_100000182486 [0,1,0,0,0,1|1,0,1]=4 6166 B16R1.1696 N#CCCNC(=O)COc1ccccc1O 240690a_100000720768_100000183020 [0,1,0,0,0,1|1,0,1]=4 6167 B16R1.1696 N#CCCNC(=O)COc1ccccc1O 527a_100000720768_100000183020 [0,1,0,0,0,1|1,0,1]=4 6168 B16R1.1696 N#CCCNC(=O)CSc1ccccc1F 11a_100000720768_100000179528 [0,1,0,0,0,1|1,0,1]=4 6169 B16R1.1696 N#CCCNC(=O)CSc1ccccc1F 1626a_100000720768_100000179528 [0,1,0,0,0,1|1,0,1]=4 6170 B16R1.1696 N#CCCNC(=O)CSc1ccccc1F 240690a_100000720768_100000179528 [0,1,0,0,0,1|1,0,1]=4 6171 B16R1.1696 N#CCCNC(=O)CSc1ccccc1O 240690a_100000720768_100000695322 [0,1,0,0,0,1|1,0,1]=4 6172 B16R1.1696 N#CCCNC(=O)CSc1ccccc1O 527a_100000720768_100000695322 [0,1,0,0,0,1|1,0,1]=4 6173 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Br 2708a_100000689332_100000720768 [0,1,0,0,0,1|1,0,1]=4 6174 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Br 2708a_100000720768_100000689332 [0,1,0,0,0,1|1,0,1]=4 6175 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Br 273464a_100000689332_100000720768 [0,1,0,0,0,1|1,0,1]=4 6176 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Br 273464a_100000720768_100000689332 [0,1,0,0,0,1|1,0,1]=4 6177 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Br 512a_100000689332_100000720768 [0,1,0,0,0,1|1,0,1]=4 6178 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Br 512a_100000720768_100000689332 [0,1,0,0,0,1|1,0,1]=4 6179 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100000720768 [0,1,0,0,0,1|1,0,1]=4 6180 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Cl 2708a_100000720768_100000174879 [0,1,0,0,0,1|1,0,1]=4 6181 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100000720768 [0,1,0,0,0,1|1,0,1]=4 6182 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Cl 273464a_100000720768_100000174879 [0,1,0,0,0,1|1,0,1]=4 6183 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Cl 512a_100000720768_100000174879 [0,1,0,0,0,1|1,0,1]=4 6184 B16R1.1696 N#CCCNC(=O)NCc1ccccc1F 2708a_100000174869_100000720768 [0,1,0,0,0,1|1,0,1]=4 6185 B16R1.1696 N#CCCNC(=O)NCc1ccccc1F 2708a_100000720768_100000174869 [0,1,0,0,0,1|1,0,1]=4 6186 B16R1.1696 N#CCCNC(=O)NCc1ccccc1F 273464a_100000174869_100000720768 [0,1,0,0,0,1|1,0,1]=4 6187 B16R1.1696 N#CCCNC(=O)NCc1ccccc1F 273464a_100000720768_100000174869 [0,1,0,0,0,1|1,0,1]=4 6188 B16R1.1696 N#CCCNC(=O)NCc1ccccc1F 512a_100000174869_100000720768 [0,1,0,0,0,1|1,0,1]=4 6189 B16R1.1696 N#CCCNC(=O)NCc1ccccc1F 512a_100000720768_100000174869 [0,1,0,0,0,1|1,0,1]=4 6190 B16R1.1696 N#CCCNC(=O)NCc1ccccc1I 2708a_100000720768_100015347259 [0,1,0,0,0,1|1,0,1]=4 6191 B16R1.1696 N#CCCNC(=O)NCc1ccccc1I 2708a_100015347259_100000720768 [0,1,0,0,0,1|1,0,1]=4 6192 B16R1.1696 N#CCCNC(=O)NCc1ccccc1I 273464a_100000720768_100015347259 [0,1,0,0,0,1|1,0,1]=4 6193 B16R1.1696 N#CCCNC(=O)NCc1ccccc1I 273464a_100015347259_100000720768 [0,1,0,0,0,1|1,0,1]=4 6194 B16R1.1696 N#CCCNC(=O)NCc1ccccc1I 512a_100000720768_100015347259 [0,1,0,0,0,1|1,0,1]=4 6195 B16R1.1696 N#CCCNC(=O)NCc1ccccc1I 512a_100015347259_100000720768 [0,1,0,0,0,1|1,0,1]=4 6196 B16R1.1696 N#CCCNC(=O)NCc1ccccc1O 2708a_100000185550_100000720768 [0,1,0,0,0,1|1,0,1]=4 6197 B16R1.1696 N#CCCNC(=O)NCc1ccccc1O 2708a_100000720768_100000185550 [0,1,0,0,0,1|1,0,1]=4 6198 B16R1.1696 N#CCCNC(=O)NCc1ccccc1O 273464a_100000185550_100000720768 [0,1,0,0,0,1|1,0,1]=4 6199 B16R1.1696 N#CCCNC(=O)NCc1ccccc1O 273464a_100000720768_100000185550 [0,1,0,0,0,1|1,0,1]=4 6200 B16R1.1696 N#CCCNC(=O)NCc1ccccc1O 512a_100000185550_100000720768 [0,1,0,0,0,1|1,0,1]=4 6201 B16R1.1758 C#CCCOC(CN)COc1ccccc1 34a_100000738913_100000688953 [0,1,0,0,0,1|2,0,0]=4 6202 B16R1.1758 C=CCCNC(CC)CCc1ccccc1 270004a_100015191253_100011279265 [0,1,0,0,0,1|1,0,1]=4 6203 B16R1.1758 CCC(C#Cc1ccccc1)OCCC#N 7a_200000065154_100000184422 [0,1,0,0,0,1|1,0,1]=4 6204 B16R1.1758 CCC(CCc1ccccc1)NCCC#N 270004a_100000720768_100011279265 [0,1,0,0,0,1|0,0,0]=2 6205 B16R1.1758 CCC(CCc1ccccc1)NCCCF 270004a_100015189416_100011279265 [0,1,0,0,0,1|1,0,1]=4 6206 B16R1.1758 CCC(CCc1ccccc1)NCCCO 270004a_100000182051_100011279265 [0,1,0,0,0,1|1,0,1]=4 6207 B16R1.1758 CCC(CCc1ccccc1)NCCOC 270004a_100000209980_100011279265 [0,1,0,0,0,1|2,0,0]=4 6208 B16R1.1758 CCC(CCc1ccccc1)NCCSC 270004a_100020590264_100011279265 [0,1,0,0,0,1|2,0,0]=4 6209 B16R1.1758 CCCCNC(CC)CCc1ccccc1 270004a_100000102301_100011279265 [0,1,0,0,0,1|1,0,1]=4 6210 B16R1.1758 CCN(CCCC#N)CCc1ccccc1 2230a_100000741020_100000687738 [0,1,0,0,0,1|2,0,0]=4 6211 B16R1.1758 CCN(CCCC#N)CCc1ccccc1 269982a_100000741020_100000687738 [0,1,0,0,0,1|2,0,0]=4 6212 B16R1.20527 C#CCCOC(C)(C)CCc1ccccc1 7a_100000750528_100000688953 [0,1,0,0,0,1|2,0,0]=4 6213 B16R1.20527 CC(C)(C#Cc1ccccc1)OCCC#N 7a_100011204173_100000184422 [0,1,0,0,0,1|1,0,1]=4 6214 B16R1.20527 CC(C)(CCc1ccccc1)OCCC#N 7a_100000750528_100000184422 [0,1,0,0,0,1|1,0,0]=3 6215 B16R1.20527 CC(C)(COCC#N)OCc1ccccc1 7a_100000062273_100011215382 [0,1,0,0,0,1|2,0,0]=4 6216 B16R1.20527 N#CCCNS(=O)(=O)CCc1ccccc1 274078a_100000720768_100000738789 [0,1,0,0,0,1|2,0,0]=4 6217 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)Br 270004a_100000718082_100000691760 [0,2,0,0,0,0|1,0,0]=3 6218 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)C 270004a_100000718082_100000751045 [0,2,0,0,0,0|1,0,0]=3 6219 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000718082_100000747806 [0,2,0,0,0,0|1,0,0]=3 6220 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)F 270004a_100000718082_100000745281 [0,2,0,0,0,0|1,0,0]=3 6221 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000731252 [0,2,0,0,0,0|1,0,0]=3 6222 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)O 270004a_100000718082_100011218180 [0,2,0,0,0,0|1,0,0]=3 6223 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000695029 [0,2,0,0,0,0|1,0,0]=3 6224 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000695029 [0,2,0,0,0,0|2,0,0]=4 6225 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100011215417 [0,2,0,0,0,0|2,0,0]=4 6226 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000688953 [0,2,0,0,0,0|2,0,0]=4 6227 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000688953 [0,2,0,0,0,0|2,0,0]=4 6228 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000688953 [0,2,0,0,0,0|2,0,0]=4 6229 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)F 34a_100000755551_100010228477 [0,2,0,0,0,0|2,0,0]=4 6230 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000688953 [0,2,0,0,0,0|2,0,0]=4 6231 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)Br 270004a_100000700776_100000691760 [0,2,0,0,0,0|1,0,1]=4 6232 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)C 270004a_100000700776_100000751045 [0,2,0,0,0,0|1,0,1]=4 6233 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000700776_100000747806 [0,2,0,0,0,0|1,0,1]=4 6234 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)F 270004a_100000700776_100000745281 [0,2,0,0,0,0|1,0,1]=4 6235 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011713584 [0,2,0,0,0,0|1,0,1]=4 6236 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)O 270004a_100000700776_100011218180 [0,2,0,0,0,0|1,0,1]=4 6237 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000757094 [0,2,0,0,0,0|1,0,1]=4 6238 B16R1.54 C=COCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000039644 [0,2,0,0,0,0|1,0,1]=4 6239 B16R1.54 C=COCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000039644 [0,2,0,0,0,0|1,0,1]=4 6240 B16R1.54 CC(=NNCCC#N)Cc1ccc(cc1)C 4a_100000229987_100000751045 [0,2,0,0,0,0|0,0,1]=3 6241 B16R1.54 CC(=NNCCC#N)Cc1ccc(cc1)Cl 4a_100000229987_100000747806 [0,2,0,0,0,0|0,0,1]=3 6242 B16R1.54 CC(CNCCC#N)Oc1ccc(cc1)F 2230a_200020586543_100011215226 [0,2,0,0,0,0|1,0,0]=3 6243 B16R1.54 CC(CSCCC#N)Oc1ccc(cc1)F 62a_100010228477_100011215226 [0,2,0,0,0,0|2,0,0]=4 6244 B16R1.54 CC(CSCCC#N)Oc1ccc(cc1)F 62a_100011215226_100010228477 [0,2,0,0,0,0|2,0,0]=4 6245 B16R1.54 CC(Cc1ccc(cc1)Br)NCCCCO 270004a_100000750430_100000691760 [0,2,0,0,0,0|1,0,1]=4 6246 B16R1.54 CC(Cc1ccc(cc1)Cl)NCCCCO 270004a_100000750430_100000747806 [0,2,0,0,0,0|1,0,1]=4 6247 B16R1.54 CC(Cc1ccc(cc1)F)NCCCCO 270004a_100000750430_100000745281 [0,2,0,0,0,0|1,0,1]=4 6248 B16R1.54 CC(Cc1ccc(cc1)F)OCCCC#N 7a_100011351027_100000687738 [0,2,0,0,0,0|1,0,0]=3 6249 B16R1.54 CC(Cc1ccc(cc1)O)NCC#CCO 2230a_100102634573_200000047223 [0,2,0,0,0,0|1,0,1]=4 6250 B16R1.54 CC(Cc1ccc(cc1)O)NCC#CCO 34a_100102634573_200000047223 [0,2,0,0,0,0|1,0,1]=4 6251 B16R1.54 CC(Cc1ccc(cc1)O)NCCCC#N 2230a_100102634573_100000687738 [0,2,0,0,0,0|0,0,0]=2 6252 B16R1.54 CC(Cc1ccc(cc1)O)NCCCC=O 2230a_100102634573_200011292268 [0,2,0,0,0,0|1,0,1]=4 6253 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCF 2230a_100102634573_100000729493 [0,2,0,0,0,0|1,0,1]=4 6254 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCF 34a_100102634573_100000729493 [0,2,0,0,0,0|1,0,1]=4 6255 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCO 2230a_100102634573_100000210776 [0,2,0,0,0,0|1,0,1]=4 6256 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCO 270004a_100000750430_100011218180 [0,2,0,0,0,0|1,0,1]=4 6257 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCO 34a_100102634573_100011216708 [0,2,0,0,0,0|1,0,1]=4 6258 B16R1.54 CCC#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100009813939 [0,2,0,0,0,0|1,0,1]=4 6259 B16R1.54 CCC#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100009813939 [0,2,0,0,0,0|1,0,1]=4 6260 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)Br 270004a_100000209983_100000691760 [0,2,0,0,0,0|1,0,1]=4 6261 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)C 270004a_100000209983_100000751045 [0,2,0,0,0,0|1,0,1]=4 6262 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000209983_100000747806 [0,2,0,0,0,0|1,0,1]=4 6263 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)F 270004a_100000209983_100000745281 [0,2,0,0,0,0|1,0,1]=4 6264 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210326 [0,2,0,0,0,0|1,0,1]=4 6265 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 270004a_100000209983_100011218180 [0,2,0,0,0,0|1,0,1]=4 6266 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000718602 [0,2,0,0,0,0|1,0,1]=4 6267 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)Br 270004a_102516460346_100000691760 [0,2,0,0,0,0|1,0,1]=4 6268 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)C 270004a_102516460346_100000751045 [0,2,0,0,0,0|1,0,1]=4 6269 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)Cl 270004a_102516460346_100000747806 [0,2,0,0,0,0|1,0,1]=4 6270 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)F 270004a_102516460346_100000745281 [0,2,0,0,0,0|1,0,1]=4 6271 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011215890 [0,2,0,0,0,0|1,0,1]=4 6272 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)O 270004a_102516460346_100011218180 [0,2,0,0,0,0|1,0,1]=4 6273 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210147 [0,2,0,0,0,0|1,0,1]=4 6274 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)Br 270004a_100000106463_100000691760 [0,2,0,0,0,0|1,0,1]=4 6275 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)C 270004a_100000106463_100000751045 [0,2,0,0,0,0|1,0,1]=4 6276 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)Cl 270004a_100000106463_100000747806 [0,2,0,0,0,0|1,0,1]=4 6277 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)F 270004a_100000106463_100000745281 [0,2,0,0,0,0|1,0,1]=4 6278 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000757381 [0,2,0,0,0,0|1,0,1]=4 6279 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)O 270004a_100000106463_100011218180 [0,2,0,0,0,0|1,0,1]=4 6280 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000757381 [0,2,0,0,0,0|1,0,1]=4 6281 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)Br 2230a_100000180866_100000211819 [0,2,0,0,0,0|2,0,0]=4 6282 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)Br 269982a_100000180866_100011219923 [0,2,0,0,0,0|2,0,0]=4 6283 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)Cl 2230a_100000184517_100000211819 [0,2,0,0,0,0|2,0,0]=4 6284 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)Cl 269982a_100000184517_100011219923 [0,2,0,0,0,0|2,0,0]=4 6285 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)F 2230a_100000184576_100000211819 [0,2,0,0,0,0|2,0,0]=4 6286 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)F 269982a_100000184576_100011219923 [0,2,0,0,0,0|2,0,0]=4 6287 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)O 2230a_100000207500_100000211819 [0,2,0,0,0,0|2,0,0]=4 6288 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)O 269982a_100000207500_100011219923 [0,2,0,0,0,0|2,0,0]=4 6289 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)Br 2230a_100000180866_200000047693 [0,2,0,0,0,0|2,0,0]=4 6290 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)Cl 2230a_100000184517_200000047693 [0,2,0,0,0,0|2,0,0]=4 6291 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)F 2230a_100000184576_200000047693 [0,2,0,0,0,0|2,0,0]=4 6292 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)O 2230a_100000207500_200000047693 [0,2,0,0,0,0|2,0,0]=4 6293 B16R1.54 COCCCNC(C)Cc1ccc(cc1)Br 270004a_100150723488_100000691760 [0,2,0,0,0,0|1,0,1]=4 6294 B16R1.54 COCCCNC(C)Cc1ccc(cc1)C 270004a_100150723488_100000751045 [0,2,0,0,0,0|1,0,1]=4 6295 B16R1.54 COCCCNC(C)Cc1ccc(cc1)Cl 270004a_100150723488_100000747806 [0,2,0,0,0,0|1,0,1]=4 6296 B16R1.54 COCCCNC(C)Cc1ccc(cc1)F 270004a_100150723488_100000745281 [0,2,0,0,0,0|1,0,1]=4 6297 B16R1.54 COCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000740836 [0,2,0,0,0,0|1,0,1]=4 6298 B16R1.54 COCCCNC(C)Cc1ccc(cc1)O 270004a_100150723488_100011218180 [0,2,0,0,0,0|1,0,1]=4 6299 B16R1.54 COCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000740836 [0,2,0,0,0,0|1,0,1]=4 6300 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)Br 270004a_100000749238_100000691760 [0,2,0,0,0,0|1,0,1]=4 6301 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)C 270004a_100000749238_100000751045 [0,2,0,0,0,0|1,0,1]=4 6302 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000749238_100000747806 [0,2,0,0,0,0|1,0,1]=4 6303 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)F 270004a_100000749238_100000745281 [0,2,0,0,0,0|1,0,1]=4 6304 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)O 270004a_100000749238_100011218180 [0,2,0,0,0,0|1,0,1]=4 6305 B16R1.54 Cc1ccc(cc1)CC(=O)NNCCC#N 22a_100000229987_100000212244 [0,2,0,0,0,0|1,0,1]=4 6306 B16R1.54 Cc1ccc(cc1)CC(C)NCCCCO 270004a_100000750430_100000751045 [0,2,0,0,0,0|1,0,1]=4 6307 B16R1.54 Cc1ccc(cc1)CN(C)CCCCC#N 2230a_100000744650_100000211819 [0,2,0,0,0,0|2,0,0]=4 6308 B16R1.54 Cc1ccc(cc1)CN(C)CCCCC#N 269982a_100000744650_100011219923 [0,2,0,0,0,0|2,0,0]=4 6309 B16R1.54 Cc1ccc(cc1)CN(C)CCOCC#N 2230a_100000744650_200000047693 [0,2,0,0,0,0|2,0,0]=4 6310 B16R1.54 Cc1ccc(cc1)OC(C)CNCCC#N 2230a_100000763606_100011215226 [0,2,0,0,0,0|1,0,0]=3 6311 B16R1.54 N#CCCNNC(=O)Cc1ccc(cc1)Br 22a_100000229987_100000198978 [0,2,0,0,0,0|1,0,1]=4 6312 B16R1.54 N#CCCNNC(=O)Cc1ccc(cc1)Cl 22a_100000229987_100000211027 [0,2,0,0,0,0|1,0,1]=4 6313 B16R1.54 N#CCCNNC(=O)Cc1ccc(cc1)F 22a_100000229987_100000210951 [0,2,0,0,0,0|1,0,1]=4 6314 B16R1.54 N#CCCNNC(=O)Cc1ccc(cc1)I 22a_100000229987_100000688869 [0,2,0,0,0,0|1,0,1]=4 6315 B16R1.54 N#CCCNNC(=O)Cc1ccc(cc1)O 22a_100000229987_100000198540 [0,2,0,0,0,0|1,0,1]=4 6316 B16R1.55 C#CCCCNC(C)Cc1cc(ccn1)C 270004a_100000718082_200015184229 [0,2,0,0,0,0|2,0,0]=4 6317 B16R1.55 C#CCCCNC(C)Cc1cccc(c1)Br 270004a_100000718082_100000689217 [0,2,0,0,0,0|1,0,0]=3 6318 B16R1.55 C#CCCCNC(C)Cc1cccc(c1)Cl 270004a_100000718082_100000727212 [0,2,0,0,0,0|1,0,0]=3 6319 B16R1.55 C#CCCCNC(C)Cc1cccc(c1)F 270004a_100000718082_100000687711 [0,2,0,0,0,0|1,0,0]=3 6320 B16R1.55 C=CCCCNC(C)Cc1cccc(c1)Br 270004a_100000700776_100000689217 [0,2,0,0,0,0|1,0,1]=4 6321 B16R1.55 C=CCCCNC(C)Cc1cccc(c1)Cl 270004a_100000700776_100000727212 [0,2,0,0,0,0|1,0,1]=4 6322 B16R1.55 C=CCCCNC(C)Cc1cccc(c1)F 270004a_100000700776_100000687711 [0,2,0,0,0,0|1,0,1]=4 6323 B16R1.55 CC(Cc1cccc(c1)Br)NCCCCO 270004a_100000750430_100000689217 [0,2,0,0,0,0|1,0,1]=4 6324 B16R1.55 CC(Cc1cccc(c1)Cl)NCCCCO 270004a_100000750430_100000727212 [0,2,0,0,0,0|1,0,1]=4 6325 B16R1.55 CC(Cc1cccc(c1)F)NCCCCO 270004a_100000750430_100000687711 [0,2,0,0,0,0|1,0,1]=4 6326 B16R1.55 CCCCCNC(C)Cc1cccc(c1)Br 270004a_100000209983_100000689217 [0,2,0,0,0,0|1,0,1]=4 6327 B16R1.55 CCCCCNC(C)Cc1cccc(c1)Cl 270004a_100000209983_100000727212 [0,2,0,0,0,0|1,0,1]=4 6328 B16R1.55 CCCCCNC(C)Cc1cccc(c1)F 270004a_100000209983_100000687711 [0,2,0,0,0,0|1,0,1]=4 6329 B16R1.55 CCOCCNC(C)Cc1cccc(c1)Br 270004a_102516460346_100000689217 [0,2,0,0,0,0|1,0,1]=4 6330 B16R1.55 CCOCCNC(C)Cc1cccc(c1)Cl 270004a_102516460346_100000727212 [0,2,0,0,0,0|1,0,1]=4 6331 B16R1.55 CCOCCNC(C)Cc1cccc(c1)F 270004a_102516460346_100000687711 [0,2,0,0,0,0|1,0,1]=4 6332 B16R1.55 CCSCCNC(C)Cc1cccc(c1)Br 270004a_100000106463_100000689217 [0,2,0,0,0,0|1,0,1]=4 6333 B16R1.55 CCSCCNC(C)Cc1cccc(c1)Cl 270004a_100000106463_100000727212 [0,2,0,0,0,0|1,0,1]=4 6334 B16R1.55 CCSCCNC(C)Cc1cccc(c1)F 270004a_100000106463_100000687711 [0,2,0,0,0,0|1,0,1]=4 6335 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)Br 2230a_100000187585_100000211819 [0,2,0,0,0,0|2,0,0]=4 6336 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)Br 269982a_100000187585_100011219923 [0,2,0,0,0,0|2,0,0]=4 6337 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)Cl 2230a_100020629429_100000211819 [0,2,0,0,0,0|2,0,0]=4 6338 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)Cl 269982a_100020629429_100011219923 [0,2,0,0,0,0|2,0,0]=4 6339 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)F 2230a_100000184398_100000211819 [0,2,0,0,0,0|2,0,0]=4 6340 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)F 269982a_100000184398_100011219923 [0,2,0,0,0,0|2,0,0]=4 6341 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)O 2230a_100000207540_100000211819 [0,2,0,0,0,0|2,0,0]=4 6342 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)O 269982a_100000207540_100011219923 [0,2,0,0,0,0|2,0,0]=4 6343 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)Br 2230a_100000187585_200000047693 [0,2,0,0,0,0|2,0,0]=4 6344 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)Cl 2230a_100020629429_200000047693 [0,2,0,0,0,0|2,0,0]=4 6345 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)F 2230a_100000184398_200000047693 [0,2,0,0,0,0|2,0,0]=4 6346 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)O 2230a_100000207540_200000047693 [0,2,0,0,0,0|2,0,0]=4 6347 B16R1.55 COCCCNC(C)Cc1cccc(c1)Br 270004a_100150723488_100000689217 [0,2,0,0,0,0|1,0,1]=4 6348 B16R1.55 COCCCNC(C)Cc1cccc(c1)Cl 270004a_100150723488_100000727212 [0,2,0,0,0,0|1,0,1]=4 6349 B16R1.55 COCCCNC(C)Cc1cccc(c1)F 270004a_100150723488_100000687711 [0,2,0,0,0,0|1,0,1]=4 6350 B16R1.55 CSCCCNC(C)Cc1cccc(c1)Br 270004a_100000749238_100000689217 [0,2,0,0,0,0|1,0,1]=4 6351 B16R1.55 CSCCCNC(C)Cc1cccc(c1)Cl 270004a_100000749238_100000727212 [0,2,0,0,0,0|1,0,1]=4 6352 B16R1.55 CSCCCNC(C)Cc1cccc(c1)F 270004a_100000749238_100000687711 [0,2,0,0,0,0|1,0,1]=4 6353 B16R1.55 Cc1cccc(c1)CC(=O)NNCCC#N 22a_100000229987_100011206899 [0,2,0,0,0,0|1,0,1]=4 6354 B16R1.55 Cc1cccc(c1)CN(C)CCCCC#N 2230a_102495364743_100000211819 [0,2,0,0,0,0|2,0,0]=4 6355 B16R1.55 Cc1cccc(c1)CN(C)CCCCC#N 269982a_102495364743_100011219923 [0,2,0,0,0,0|2,0,0]=4 6356 B16R1.55 Cc1cccc(c1)CN(C)CCOCC#N 2230a_102495364743_200000047693 [0,2,0,0,0,0|2,0,0]=4 6357 B16R1.55 N#CCCNNC(=O)Cc1cccc(c1)Br 22a_100000229987_100000747190 [0,2,0,0,0,0|1,0,1]=4 6358 B16R1.55 N#CCCNNC(=O)Cc1cccc(c1)Cl 22a_100000229987_100000749307 [0,2,0,0,0,0|1,0,1]=4 6359 B16R1.55 N#CCCNNC(=O)Cc1cccc(c1)F 22a_100000229987_100000211661 [0,2,0,0,0,0|1,0,1]=4 6360 B16R1.55 N#CCCNNC(=O)Cc1cccc(c1)I 22a_100000229987_100000238430 [0,2,0,0,0,0|1,0,1]=4 6361 B16R1.55 N#CCCNNC(=O)Cc1cccc(c1)O 22a_100000229987_100000745134 [0,2,0,0,0,0|1,0,1]=4 6362 B16R1.610 CC(C)CCCNC(C)Cc1ccccc1 34a_200000737386_200011218536 [0,2,0,0,0,0|1,0,1]=4 6363 B16R1.610 CC(Cc1ccccc1)NCCCC(=O)N 34a_100000739312_200011218536 [0,2,0,0,0,0|0,0,2]=4 6364 B16R1.610 CC(Cc1ccccc1)NCCNC(=O)N 34a_100020590234_200011218536 [0,2,0,0,0,0|0,0,2]=4 6365 B16R1.610 CC(Cc1ccccc1)NCCOC(C)C 34a_100000701111_200011218536 [0,2,0,0,0,0|1,0,1]=4 6366 B16R1.610 CC(Cc1ccccc1)NCCSC(C)C 34a_100000731138_200011218536 [0,2,0,0,0,0|1,0,1]=4 6367 B16R1.693 C#CCCCCNC(C)Cc1ccccc1 34a_100000706060_200011218536 [0,2,0,0,0,0|1,0,0]=3 6368 B16R1.693 C#CCCCCNC(C)Cc1ccccn1 2230a_100000238496_100010269958 [0,2,0,0,0,0|2,0,0]=4 6369 B16R1.693 C#CCCCCNC(C)Cc1cccnc1 2230a_100011207255_100010269958 [0,2,0,0,0,0|2,0,0]=4 6370 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 34a_100000748627_100010269958 [0,2,0,0,0,0|2,0,0]=4 6371 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 34a_100000766709_200011218536 [0,2,0,0,0,0|2,0,0]=4 6372 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 7a_100000748627_100010269958 [0,2,0,0,0,0|2,0,0]=4 6373 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 7a_100000766709_200011218536 [0,2,0,0,0,0|2,0,0]=4 6374 B16R1.693 C#CCCCCSC(C)Cc1ccccc1 62a_100010269958_200011218536 [0,2,0,0,0,0|2,0,0]=4 6375 B16R1.693 C#CCCCCSC(C)Cc1ccccc1 62a_200011218536_100010269958 [0,2,0,0,0,0|2,0,0]=4 6376 B16R1.693 C#CCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000731252 [0,2,0,0,0,0|2,0,0]=4 6377 B16R1.693 C#CCCCNCC(C)Oc1ccccc1 34a_100000755676_100000695029 [0,2,0,0,0,0|2,0,0]=4 6378 B16R1.693 C#CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000731252 [0,2,0,0,0,0|2,0,0]=4 6379 B16R1.693 C#CCCCNC[C@@H](O)Cc1ccccc1 34a_100000718082_100000729385 [0,2,0,0,0,0|2,0,0]=4 6380 B16R1.693 C#CCCCOCC(C)Cc1ccccc1 34a_100012125295_100000695029 [0,2,0,0,0,0|2,0,0]=4 6381 B16R1.693 C#CCCCOCC(C)Cc1ccccc1 7a_100012125295_100011215417 [0,2,0,0,0,0|2,0,0]=4 6382 B16R1.693 C#CCCNCCN(C)Cc1ccccc1 34a_100000755551_100015196923 [0,2,0,0,0,0|2,0,0]=4 6383 B16R1.693 C#CCOCCNC(C)Cc1ccccc1 34a_100000700922_200011218536 [0,2,0,0,0,0|1,0,0]=3 6384 B16R1.693 C#CCOCCNC(C)Cc1ccccn1 2230a_100000238496_100010402529 [0,2,0,0,0,0|2,0,0]=4 6385 B16R1.693 C#CCOCCNC(C)Cc1cccnc1 2230a_100011207255_100010402529 [0,2,0,0,0,0|2,0,0]=4 6386 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 34a_100000054580_200011218536 [0,2,0,0,0,0|2,0,0]=4 6387 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 34a_100000748627_100010402529 [0,2,0,0,0,0|2,0,0]=4 6388 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 7a_100000054580_200011218536 [0,2,0,0,0,0|2,0,0]=4 6389 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 7a_100000748627_100010402529 [0,2,0,0,0,0|2,0,0]=4 6390 B16R1.693 C#CCOCCSC(C)Cc1ccccc1 62a_100010402529_200011218536 [0,2,0,0,0,0|2,0,0]=4 6391 B16R1.693 C#CCOCCSC(C)Cc1ccccc1 62a_200011218536_100010402529 [0,2,0,0,0,0|2,0,0]=4 6392 B16R1.693 C/C(=C\c1ccccc1)/C=NNCCC#N 4a_100000229987_100016997181 [0,2,0,0,0,0|0,0,2]=4 6393 B16R1.693 C=CCCCCNC(C)Cc1ccccc1 34a_100000703577_200011218536 [0,2,0,0,0,0|1,0,1]=4 6394 B16R1.693 C=COCCCNC(C)Cc1ccccc1 34a_100000210767_200011218536 [0,2,0,0,0,0|1,0,1]=4 6395 B16R1.693 CC(CNCCCC#N)Oc1ccccc1 2230a_100000755676_100000687738 [0,2,0,0,0,0|1,0,0]=3 6396 B16R1.693 CC(CNCCCC#N)Oc1cccnc1 2230a_200011219418_100000687738 [0,2,0,0,0,0|2,0,0]=4 6397 B16R1.693 CC(COCCCC#N)Cc1ccccc1 7a_100012125295_100000687738 [0,2,0,0,0,0|1,0,0]=3 6398 B16R1.693 CC(COCCCC#N)Oc1ccccc1 7a_200000036796_100000687738 [0,2,0,0,0,0|2,0,0]=4 6399 B16R1.693 CC(C[n+]1ccccc1)NCCCCC#N 270004a_100000751965_100000034229 [0,2,0,0,0,0|1,0,0]=3 6400 B16R1.693 CC(Cc1ccccc1)NCCCCCO 34a_100000762737_200011218536 [0,2,0,0,0,0|1,0,1]=4 6401 B16R1.693 CC(Cc1ccccc1)NCCOCCO 34a_100000211614_200011218536 [0,2,0,0,0,0|1,0,1]=4 6402 B16R1.693 CC(Cc1ccccc1)OCCCCC#N 7a_100000748627_100000211819 [0,2,0,0,0,0|1,0,0]=3 6403 B16R1.693 CC(Cc1ccccc1)OCCOCC#N 7a_100000748627_200000047693 [0,2,0,0,0,0|1,0,0]=3 6404 B16R1.693 CC(Cc1ccccc1)SCCCCC#N 62a_100011219923_200011218536 [0,2,0,0,0,0|1,0,0]=3 6405 B16R1.693 CC(Cc1ccccc1)SCCCCC#N 62a_200011218536_100000211819 [0,2,0,0,0,0|1,0,0]=3 6406 B16R1.693 CC(Cc1ccccc1)SCCOCC#N 62a_200000047693_200011218536 [0,2,0,0,0,0|1,0,0]=3 6407 B16R1.693 CC(Cc1ccccc1)SCCOCC#N 62a_200011218536_200000047693 [0,2,0,0,0,0|1,0,0]=3 6408 B16R1.693 CC(Cc1ccccn1)NCCCCC#N 2230a_100000238496_100000211819 [0,2,0,0,0,0|1,0,0]=3 6409 B16R1.693 CC(Cc1ccccn1)NCCOCC#N 2230a_100000238496_200000047693 [0,2,0,0,0,0|1,0,0]=3 6410 B16R1.693 CC(Cc1cccnc1)NCCCCC#N 2230a_100011207255_100000211819 [0,2,0,0,0,0|1,0,0]=3 6411 B16R1.693 CC(Cc1cccnc1)NCCCCC#N 270004a_100000751965_100015187140 [0,2,0,0,0,0|1,0,0]=3 6412 B16R1.693 CC(Cc1cccnc1)NCCOCC#N 2230a_100011207255_200000047693 [0,2,0,0,0,0|1,0,0]=3 6413 B16R1.693 CC(Cc1ccncc1)NCCCCC#N 270004a_100000751965_100000238508 [0,2,0,0,0,0|1,0,0]=3 6414 B16R1.693 CC(Cc1cnccn1)NCCCCC#N 2230a_100011277835_100000211819 [0,2,0,0,0,0|2,0,0]=4 6415 B16R1.693 CC(Cc1cnccn1)NCCCCC#N 270004a_100000751965_100015184882 [0,2,0,0,0,0|2,0,0]=4 6416 B16R1.693 CC(Cc1cnccn1)NCCOCC#N 2230a_100011277835_200000047693 [0,2,0,0,0,0|2,0,0]=4 6417 B16R1.693 CCC#CCCOC(C)Cc1ccccc1 34a_100000036655_200011218536 [0,2,0,0,0,0|2,0,0]=4 6418 B16R1.693 CCC#CCCOC(C)Cc1ccccc1 7a_100000036655_200011218536 [0,2,0,0,0,0|2,0,0]=4 6419 B16R1.693 CCCOCCNC(C)Cc1ccccc1 34a_100161115042_200011218536 [0,2,0,0,0,0|1,0,1]=4 6420 B16R1.693 CCOCCCNC(C)Cc1ccccc1 34a_100000210961_200011218536 [0,2,0,0,0,0|1,0,1]=4 6421 B16R1.693 CN(CCCCCC#N)Cc1ccccc1 2230a_100000186898_100009813376 [0,2,0,0,0,0|2,0,0]=4 6422 B16R1.693 CN(CCCCCC#N)Cc1ccccc1 269982a_100000186898_100009813376 [0,2,0,0,0,0|2,0,0]=4 6423 B16R1.693 CN(CCSCCC#N)Cc1ccccc1 62a_100011215226_100015196923 [0,2,0,0,0,0|2,0,0]=4 6424 B16R1.693 CN(CCSCSC#N)Cc1ccccc1 62a_100000211825_100015196923 [0,2,0,0,0,0|2,0,0]=4 6425 B16R1.693 N#CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000687738 [0,2,0,0,0,0|1,0,0]=3 6426 B16R1.693 N#CCCCSC[C@@H](O)Cc1ccccc1 62a_100000687738_100000729385 [0,2,0,0,0,0|2,0,0]=4 6427 B16R1.693 N#CCCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000687738 [0,2,0,0,0,0|2,0,0]=4 6428 B16R1.693 N#CSCCSC[C@@H](O)Cc1ccccc1 62a_100000034367_100000729385 [0,2,0,0,0,0|2,0,0]=4 6429 B16R1.693 N#CSCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000034367 [0,2,0,0,0,0|2,0,0]=4 6430 B16R1.705 C#CCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000695029 [0,2,0,0,0,0|2,0,0]=4 6431 B16R1.705 C#CCCNCC(C)N(C)c1ccccc1 2230a_100000245588_100000688953 [0,2,0,0,0,0|2,0,0]=4 6432 B16R1.705 CC(CNCCC#N)N(C)c1ccccc1 2230a_100000245588_100011215226 [0,2,0,0,0,0|1,0,0]=3 6433 B16R1.705 CC(SCCCC#N)C(=O)c1ccccc1 62a_100000239700_100000687738 [0,2,0,0,0,0|1,0,1]=4 6434 B16R1.705 CC(SCCCC#N)C(=O)c1ccccc1 62a_100000687738_100000239700 [0,2,0,0,0,0|1,0,1]=4 6435 B16R1.705 CC(SCCSC#N)C(=O)c1ccccc1 62a_100000034367_100000239700 [0,2,0,0,0,0|1,0,1]=4 6436 B16R1.705 CC(SCCSC#N)C(=O)c1ccccc1 62a_100000239700_100000034367 [0,2,0,0,0,0|1,0,1]=4 6437 B16R1.705 CC(c1ccccc1)N(C)CCCCC#N 2230a_100000195388_100000211819 [0,2,0,0,0,0|2,0,0]=4 6438 B16R1.705 CC(c1ccccc1)N(C)CCCCC#N 269982a_100000195388_100011219923 [0,2,0,0,0,0|2,0,0]=4 6439 B16R1.705 CC(c1ccccc1)N(C)CCOCC#N 2230a_100000195388_200000047693 [0,2,0,0,0,0|2,0,0]=4 6440 B16R1.705 C[C@H](C(=O)NNCCC#N)c1ccccc1 22a_100000229987_100000751047 [0,2,0,0,0,0|1,0,1]=4 6441 B16R1.705 N#CCCNNC(=O)C(F)c1ccccc1 22a_100000229987_100000698975 [0,2,0,0,0,0|1,0,1]=4 6442 B16R1.705 N#CCCNNC(=O)[C@H](O)c1ccccc1 22a_100000229987_100000684486 [0,2,0,0,0,0|1,0,1]=4 6443 B16R1.934 CC(CC#N)NCC(C)Oc1ccccc1 2230a_100000755676_100009813641 [0,2,0,0,0,0|1,0,0]=3 6444 B16R1.934 CC(CC#N)NCC(C)Oc1cccnc1 2230a_200011219418_100009813641 [0,2,0,0,0,0|2,0,0]=4 6445 B16R1.934 CC(CC#N)NCC(O)Cc1ccccc1 2230a_100000752270_100009813641 [0,2,0,0,0,0|1,0,0]=3 6446 B16R1.934 CC(CC#N)OCC(C)Oc1ccccc1 7a_200000036796_100009813641 [0,2,0,0,0,0|2,0,0]=4 6447 B16R1.934 CC(CC#N)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100009813641 [0,2,0,0,0,0|2,0,0]=4 6448 B16R1.934 CC(CC#N)SC[C@@H](O)Cc1ccccc1 62a_100009813641_100000729385 [0,2,0,0,0,0|2,0,0]=4 6449 B16R1.934 CC(CNC(=O)CC#N)Oc1ccccc1 1626a_100000755676_100051588842 [0,2,0,0,0,0|1,0,1]=4 6450 B16R1.934 CC(CNC(=O)CC#N)Oc1ccccc1 240690a_100000755676_100051588842 [0,2,0,0,0,0|1,0,1]=4 6451 B16R1.934 CC(COC(C)CC#N)Cc1ccccc1 7a_100012125295_100009813641 [0,2,0,0,0,0|1,0,0]=3 6452 B16R1.934 CC(Cc1ccccc1)OC[C@@H](O)CC#N 7a_100000748627_100000001066 [0,2,0,0,0,0|1,0,0]=3 6453 B16R1.934 CC(Cc1ccccc1)SC[C@@H](O)CC#N 62a_100000001066_200011218536 [0,2,0,0,0,0|1,0,0]=3 6454 B16R1.934 CC(Cc1ccccc1)SC[C@@H](O)CC#N 62a_200011218536_100000001066 [0,2,0,0,0,0|1,0,0]=3 6455 B16R1.934 CC(Cc1ccccn1)NC[C@@H](O)CC#N 2230a_100000238496_100000001066 [0,2,0,0,0,0|1,0,0]=3 6456 B16R1.934 CC(Cc1cccnc1)NC[C@@H](O)CC#N 2230a_100011207255_100000001066 [0,2,0,0,0,0|1,0,0]=3 6457 B16R1.934 CC(Cc1cnccn1)NC[C@@H](O)CC#N 2230a_100011277835_100000001066 [0,2,0,0,0,0|2,0,0]=4 6458 B16R1.934 CN(CC#N)CCN(C)Cc1ccccc1 2230a_100000748184_100015196923 [0,2,0,0,0,0|2,0,0]=4 6459 B16R1.934 CN(CC#N)CCN(C)Cc1ccccc1 2230a_100011233411_100011215382 [0,2,0,0,0,0|2,0,0]=4 6460 B16R1.934 CN(CC#N)CCN(C)Cc1ccccc1 269982a_100011233411_100011214920 [0,2,0,0,0,0|2,0,0]=4 6461 B16R1.934 CN(CCC(=O)CC#N)Cc1ccccc1 1458a_100000177486_100011214920 [0,2,0,0,0,0|2,0,0]=4 6462 B16R1.934 CN(CCC(=O)CC#N)Cc1ccccc1 1458a_100051588842_100015196923 [0,2,0,0,0,0|2,0,0]=4 6463 B16R1.934 COCC(O)CNC(C)Cc1ccccc1 34a_100000756049_200011218536 [0,2,0,0,0,0|1,0,1]=4 6464 B16R1.934 C[C@@H](CC#N)NCC(=O)Cc1ccccc1 2230a_100016994482_100000233483 [0,2,0,0,0,0|1,0,1]=4 6465 B16R1.934 C[C@@H](CC#N)NC[C@@H](O)Cc1ccccc1 2230a_100016994482_100000729385 [0,2,0,0,0,0|1,0,0]=3 6466 B16R1.934 N#CCC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_100011214920 [0,2,0,0,0,0|1,0,1]=4 6467 B16R1.934 N#CCC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100051588842 [0,2,0,0,0,0|1,0,1]=4 6468 B16R1.1329 C=C(C#N)CNCC(C)Oc1ccccc1 2230a_100000755676_100000694840 [0,2,0,0,0,0|1,0,1]=4 6469 B16R1.1329 C=C(C#N)CNCC(C)Oc1ccccc1 34a_100000755676_100000694840 [0,2,0,0,0,0|1,0,1]=4 6470 B16R1.1329 C=C(C#N)CNCC(O)Cc1ccccc1 2230a_100000752270_100000694840 [0,2,0,0,0,0|1,0,1]=4 6471 B16R1.1329 C=C(C#N)COCC(C)Cc1ccccc1 34a_100012125295_100000694840 [0,2,0,0,0,0|1,0,1]=4 6472 B16R1.1329 CC(=NNCC(C)C#N)C[n+]1ccccc1 4a_100000045663_100000034229 [0,2,0,0,0,0|1,0,1]=4 6473 B16R1.1329 CC(C#N)NCCN(C)Cc1ccccc1 2230a_100000737613_100015196923 [0,2,0,0,0,0|2,0,0]=4 6474 B16R1.1329 CC(C#N)OCCN(C)Cc1ccccc1 34a_100011218135_100015196923 [0,2,0,0,0,0|2,0,0]=4 6475 B16R1.1329 CC(C#N)SCCN(C)Cc1ccccc1 62a_100000703298_100015196923 [0,2,0,0,0,0|2,0,0]=4 6476 B16R1.1329 CC(CO)CCNC(C)Cc1ccccc1 34a_106354213184_200011218536 [0,2,0,0,0,0|1,0,1]=4 6477 B16R1.1329 CN(CCSC(F)C#N)Cc1ccccc1 62a_200000117898_100015196923 [0,2,0,0,0,0|2,0,0]=4 6478 B16R1.1329 CNC(=O)CCNC(C)Cc1ccccc1 34a_100000738227_200011218536 [0,2,0,0,0,0|0,0,2]=4 6479 B16R1.1407 C#CC(Cc1ccccc1)OCCCC#N 7a_100000685211_100000687738 [0,2,0,0,0,0|1,0,1]=4 6480 B16R1.1407 C#CCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000731252 [0,2,0,0,0,0|1,0,1]=4 6481 B16R1.1407 C#CCCCNC(CC)Cc1ccccc1 270004a_100000718082_100000212045 [0,2,0,0,0,0|1,0,0]=3 6482 B16R1.1407 C#CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000731252 [0,2,0,0,0,0|1,0,0]=3 6483 B16R1.1407 C#CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000731252 [0,2,0,0,0,0|2,0,0]=4 6484 B16R1.1407 C#CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000731252 [0,2,0,0,0,0|2,0,0]=4 6485 B16R1.1407 C#CCCCOC(CC)Cc1ccccc1 7a_100000760156_100011215417 [0,2,0,0,0,0|2,0,0]=4 6486 B16R1.1407 C#CCCCOC(CN)Cc1ccccc1 34a_100000752270_100000695029 [0,2,0,0,0,0|2,0,0]=4 6487 B16R1.1407 C#CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215417 [0,2,0,0,0,0|2,0,0]=4 6488 B16R1.1407 C#CCCNCC(CO)Cc1ccccc1 34a_100160572655_100000688953 [0,2,0,0,0,0|1,0,0]=3 6489 B16R1.1407 C#CCCOCC(CN)Cc1ccccc1 34a_100160572655_100000688953 [0,2,0,0,0,0|2,0,0]=4 6490 B16R1.1407 C#CCCOC[C@H](Cc1ccccc1)NC 34a_100016995599_100000688953 [0,2,0,0,0,0|2,0,0]=4 6491 B16R1.1407 C=CCCCNC(CC)Cc1ccccc1 270004a_100000700776_100000212045 [0,2,0,0,0,0|1,0,1]=4 6492 B16R1.1407 C=CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100011713584 [0,2,0,0,0,0|1,0,1]=4 6493 B16R1.1407 C=CCCNCC(CO)Cc1ccccc1 34a_100160572655_100000754431 [0,2,0,0,0,0|1,0,1]=4 6494 B16R1.1407 C=COCCNC(CO)Cc1ccccc1 2230a_100000739027_100000039644 [0,2,0,0,0,0|1,0,1]=4 6495 B16R1.1407 CC#CCNCC(CO)Cc1ccccc1 34a_100160572655_100000748600 [0,2,0,0,0,0|1,0,1]=4 6496 B16R1.1407 CCC#CCNC(CO)Cc1ccccc1 2230a_100000739027_100009813939 [0,2,0,0,0,0|1,0,1]=4 6497 B16R1.1407 CCC(=NNCCC#N)Cc1ccccc1 4a_100000229987_100000212045 [0,2,0,0,0,0|0,0,1]=3 6498 B16R1.1407 CCC(Cc1ccccc1)NCCCCO 270004a_100000750430_100000212045 [0,2,0,0,0,0|1,0,1]=4 6499 B16R1.1407 CCC(Cc1ccccc1)NCCCOC 270004a_100150723488_100000212045 [0,2,0,0,0,0|1,0,1]=4 6500 B16R1.1407 CCC(Cc1ccccc1)NCCCSC 270004a_100000749238_100000212045 [0,2,0,0,0,0|1,0,1]=4 6501 B16R1.1407 CCC(Cc1ccccc1)OCCCC#N 7a_100000760156_100000687738 [0,2,0,0,0,0|1,0,0]=3 6502 B16R1.1407 CCCCCNC(CC)Cc1ccccc1 270004a_100000209983_100000212045 [0,2,0,0,0,0|1,0,1]=4 6503 B16R1.1407 CCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210326 [0,2,0,0,0,0|1,0,1]=4 6504 B16R1.1407 CCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000210210 [0,2,0,0,0,0|1,0,1]=4 6505 B16R1.1407 CCN(CCCCC#N)Cc1ccccc1 2230a_100000186914_100000211819 [0,2,0,0,0,0|2,0,0]=4 6506 B16R1.1407 CCN(CCCCC#N)Cc1ccccc1 269982a_100000186914_100011219923 [0,2,0,0,0,0|2,0,0]=4 6507 B16R1.1407 CCN(CCOCC#N)Cc1ccccc1 2230a_100000186914_200000047693 [0,2,0,0,0,0|2,0,0]=4 6508 B16R1.1407 CCOCCNC(CC)Cc1ccccc1 270004a_102516460346_100000212045 [0,2,0,0,0,0|1,0,1]=4 6509 B16R1.1407 CCOCCNC(CO)Cc1ccccc1 2230a_100000739027_100011215890 [0,2,0,0,0,0|1,0,1]=4 6510 B16R1.1407 CCSCCNC(CC)Cc1ccccc1 270004a_100000106463_100000212045 [0,2,0,0,0,0|1,0,1]=4 6511 B16R1.1407 CCSCCNC(CO)Cc1ccccc1 2230a_100000739027_100000757381 [0,2,0,0,0,0|1,0,1]=4 6512 B16R1.1407 COCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000740836 [0,2,0,0,0,0|1,0,1]=4 6513 B16R1.1407 COCCNCC(CO)Cc1ccccc1 34a_100160572655_100011201679 [0,2,0,0,0,0|2,0,0]=4 6514 B16R1.1407 CSCCNCC(CO)Cc1ccccc1 34a_100160572655_100000212216 [0,2,0,0,0,0|2,0,0]=4 6515 B16R1.1407 N#CCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000687738 [0,2,0,0,0,0|0,0,1]=3 6516 B16R1.1407 N#CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000687738 [0,2,0,0,0,0|0,0,0]=2 6517 B16R1.1407 N#CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000687738 [0,2,0,0,0,0|1,0,0]=3 6518 B16R1.1407 N#CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000687738 [0,2,0,0,0,0|1,0,0]=3 6519 B16R1.1407 N#CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000687738 [0,2,0,0,0,0|1,0,0]=3 6520 B16R1.1407 N#CCCCSC(C#N)Cc1ccccc1 62a_100000183401_100000687738 [0,2,0,0,0,0|1,0,1]=4 6521 B16R1.1407 N#CCCCSC(C#N)Cc1ccccc1 62a_100000687738_100000183401 [0,2,0,0,0,0|1,0,1]=4 6522 B16R1.1407 N#CCCOCC(C#N)Cc1ccccc1 7a_100000684917_100000184422 [0,2,0,0,0,0|1,0,1]=4 6523 B16R1.1407 N#CSCCSC(C#N)Cc1ccccc1 62a_100000034367_100000183401 [0,2,0,0,0,0|1,0,1]=4 6524 B16R1.1407 N#CSCCSC(C#N)Cc1ccccc1 62a_100000183401_100000034367 [0,2,0,0,0,0|1,0,1]=4 6525 B16R1.1407 O=CCCCNC(CO)Cc1ccccc1 2230a_100000739027_200011292268 [0,2,0,0,0,0|1,0,1]=4 6526 B16R1.1407 OCC#CCNC(CO)Cc1ccccc1 2230a_100000739027_200000047223 [0,2,0,0,0,0|1,0,1]=4 6527 B16R1.1407 OCC(CNCCCF)Cc1ccccc1 34a_100160572655_100011934791 [0,2,0,0,0,0|1,0,1]=4 6528 B16R1.1407 OCC(Cc1ccccc1)NCCCCF 2230a_100000739027_100000729493 [0,2,0,0,0,0|1,0,1]=4 6529 B16R1.1407 OCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210776 [0,2,0,0,0,0|1,0,1]=4 6530 B16R1.1407 OCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000230001 [0,2,0,0,0,0|1,0,1]=4 6531 B16R1.1497 C#CCCC(=O)NC(C)Cc1ccccn1 11a_100000238496_100000692101 [0,2,0,0,0,0|2,0,0]=4 6532 B16R1.1497 C#CCCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100000692101 [0,2,0,0,0,0|2,0,0]=4 6533 B16R1.1497 C#CCCC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100000692101 [0,2,0,0,0,0|2,0,0]=4 6534 B16R1.1497 C#CCCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100000692101 [0,2,0,0,0,0|2,0,0]=4 6535 B16R1.1497 C#CCCC(=O)NC(C)Cc1cccnc1 11a_100011207255_100000692101 [0,2,0,0,0,0|2,0,0]=4 6536 B16R1.1497 C#CCCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100000692101 [0,2,0,0,0,0|2,0,0]=4 6537 B16R1.1497 C#CCCC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100000692101 [0,2,0,0,0,0|2,0,0]=4 6538 B16R1.1497 C#CCCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100000692101 [0,2,0,0,0,0|2,0,0]=4 6539 B16R1.1497 CC(Cc1ccccc1)NC(=O)CCS[13CH3] 62a_200011792965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6540 B16R1.1497 CC(Cc1ccccc1)NC(=O)CCS[13CH3] 62a_200025704644_200011792965 [0,2,0,0,0,0|2,0,0]=4 6541 B16R1.1497 CC(Cc1ccccn1)NC(=O)CCC#N 11a_100000238496_100011934036 [0,2,0,0,0,0|1,0,0]=3 6542 B16R1.1497 CC(Cc1ccccn1)NC(=O)CCC#N 1626a_100000238496_100011934036 [0,2,0,0,0,0|1,0,0]=3 6543 B16R1.1497 CC(Cc1ccccn1)NC(=O)CCC#N 240690a_100000238496_100011934036 [0,2,0,0,0,0|1,0,0]=3 6544 B16R1.1497 CC(Cc1ccccn1)NC(=O)CCC#N 527a_100000238496_100011934036 [0,2,0,0,0,0|1,0,0]=3 6545 B16R1.1497 CC(Cc1ccccn1)NC(=O)NCC#N 2708a_100000734998_100000238496 [0,2,0,0,0,0|1,0,1]=4 6546 B16R1.1497 CC(Cc1ccccn1)NC(=O)NCC#N 273464a_100000238496_100000734998 [0,2,0,0,0,0|1,0,1]=4 6547 B16R1.1497 CC(Cc1ccccn1)NC(=O)NCC#N 273464a_100000734998_100000238496 [0,2,0,0,0,0|1,0,1]=4 6548 B16R1.1497 CC(Cc1ccccn1)NC(=O)NCC#N 512a_100000238496_100000734998 [0,2,0,0,0,0|1,0,1]=4 6549 B16R1.1497 CC(Cc1ccccn1)NC(=O)NCC#N 512a_100000734998_100000238496 [0,2,0,0,0,0|1,0,1]=4 6550 B16R1.1497 CC(Cc1cccnc1)NC(=O)CCC#N 11a_100011207255_100011934036 [0,2,0,0,0,0|1,0,0]=3 6551 B16R1.1497 CC(Cc1cccnc1)NC(=O)CCC#N 1626a_100011207255_100011934036 [0,2,0,0,0,0|1,0,0]=3 6552 B16R1.1497 CC(Cc1cccnc1)NC(=O)CCC#N 240690a_100011207255_100011934036 [0,2,0,0,0,0|1,0,0]=3 6553 B16R1.1497 CC(Cc1cccnc1)NC(=O)CCC#N 527a_100011207255_100011934036 [0,2,0,0,0,0|1,0,0]=3 6554 B16R1.1497 CC(Cc1cccnc1)NC(=O)NCC#N 2708a_100000734998_100011207255 [0,2,0,0,0,0|1,0,1]=4 6555 B16R1.1497 CC(Cc1cccnc1)NC(=O)NCC#N 273464a_100000734998_100011207255 [0,2,0,0,0,0|1,0,1]=4 6556 B16R1.1497 CC(Cc1cccnc1)NC(=O)NCC#N 273464a_100011207255_100000734998 [0,2,0,0,0,0|1,0,1]=4 6557 B16R1.1497 CC(Cc1cccnc1)NC(=O)NCC#N 512a_100000734998_100011207255 [0,2,0,0,0,0|1,0,1]=4 6558 B16R1.1497 CC(Cc1cccnc1)NC(=O)NCC#N 512a_100011207255_100000734998 [0,2,0,0,0,0|1,0,1]=4 6559 B16R1.1497 CC(Cc1cnccn1)NC(=O)CCC#N 11a_100011277835_100011934036 [0,2,0,0,0,0|2,0,0]=4 6560 B16R1.1497 CC(Cc1cnccn1)NC(=O)CCC#N 1626a_100011277835_100011934036 [0,2,0,0,0,0|2,0,0]=4 6561 B16R1.1497 CC(Cc1cnccn1)NC(=O)CCC#N 240690a_100011277835_100011934036 [0,2,0,0,0,0|2,0,0]=4 6562 B16R1.1497 CC(Cc1cnccn1)NC(=O)CCC#N 527a_100011277835_100011934036 [0,2,0,0,0,0|2,0,0]=4 6563 B16R1.1497 CN(CC(=O)CCC#N)Cc1ccccc1 1458a_100000745601_100011215226 [0,2,0,0,0,0|2,0,0]=4 6564 B16R1.1497 CN(CCC#N)CC(=O)Cc1ccccc1 2230a_100000184479_100000233483 [0,2,0,0,0,0|1,0,1]=4 6565 B16R1.1497 CN(CCC#N)C[C@@H](O)Cc1ccccc1 2230a_100000184479_100000729385 [0,2,0,0,0,0|1,0,0]=3 6566 B16R1.1497 CNCCC(=O)NC(C)Cc1ccccc1 2230a_106832991635_200011792965 [0,2,0,0,0,0|2,0,0]=4 6567 B16R1.1497 CNCCC(=O)NC(C)Cc1ccccc1 7a_106832991635_200011792965 [0,2,0,0,0,0|2,0,0]=4 6568 B16R1.1497 CSCCC(=O)NC(C)Cc1ccccc1 62a_200000210301_200011792965 [0,2,0,0,0,0|2,0,0]=4 6569 B16R1.1497 CSCCC(=O)NC(C)Cc1ccccc1 62a_200011792965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6570 B16R1.4621 C#CCCCNC(C)Cc1ccccc1Br 270004a_100000718082_100011350739 [0,2,0,0,0,0|1,0,0]=3 6571 B16R1.4621 C#CCCCNC(C)Cc1ccccc1C 270004a_100000718082_200000764500 [0,2,0,0,0,0|1,0,0]=3 6572 B16R1.4621 C#CCCCNC(C)Cc1ccccc1Cl 270004a_100000718082_100000758791 [0,2,0,0,0,0|1,0,0]=3 6573 B16R1.4621 C#CCCCNC(C)Cc1ccccc1F 270004a_100000718082_100000709178 [0,2,0,0,0,0|1,0,0]=3 6574 B16R1.4621 C#CCCCNC(C)Cc1ncccc1C 270004a_100000718082_100011823981 [0,2,0,0,0,0|2,0,0]=4 6575 B16R1.4621 C#CCCNCC(C)Oc1ccccc1Cl 2230a_100000763343_100000688953 [0,2,0,0,0,0|2,0,0]=4 6576 B16R1.4621 C#CCCNCC(C)Oc1ccccc1Cl 34a_100000763343_100000688953 [0,2,0,0,0,0|2,0,0]=4 6577 B16R1.4621 C=CCCCNC(C)Cc1ccccc1Br 270004a_100000700776_100011350739 [0,2,0,0,0,0|1,0,1]=4 6578 B16R1.4621 C=CCCCNC(C)Cc1ccccc1C 270004a_100000700776_200000764500 [0,2,0,0,0,0|1,0,1]=4 6579 B16R1.4621 C=CCCCNC(C)Cc1ccccc1Cl 270004a_100000700776_100000758791 [0,2,0,0,0,0|1,0,1]=4 6580 B16R1.4621 C=CCCCNC(C)Cc1ccccc1F 270004a_100000700776_100000709178 [0,2,0,0,0,0|1,0,1]=4 6581 B16R1.4621 CC(=NNCCC#N)Cc1ccccc1Cl 4a_100000229987_100000758791 [0,2,0,0,0,0|0,0,1]=3 6582 B16R1.4621 CC(CNCCC#N)Oc1ccccc1Cl 2230a_100000763343_100011215226 [0,2,0,0,0,0|1,0,0]=3 6583 B16R1.4621 CC(Cc1ccccc1Br)NCCCCO 270004a_100000750430_100011350739 [0,2,0,0,0,0|1,0,1]=4 6584 B16R1.4621 CC(Cc1ccccc1Cl)NCCCCO 270004a_100000750430_100000758791 [0,2,0,0,0,0|1,0,1]=4 6585 B16R1.4621 CC(Cc1ccccc1F)NCCCCO 270004a_100000750430_100000709178 [0,2,0,0,0,0|1,0,1]=4 6586 B16R1.4621 CCCCCNC(C)Cc1ccccc1Br 270004a_100000209983_100011350739 [0,2,0,0,0,0|1,0,1]=4 6587 B16R1.4621 CCCCCNC(C)Cc1ccccc1C 270004a_100000209983_200000764500 [0,2,0,0,0,0|1,0,1]=4 6588 B16R1.4621 CCCCCNC(C)Cc1ccccc1Cl 270004a_100000209983_100000758791 [0,2,0,0,0,0|1,0,1]=4 6589 B16R1.4621 CCCCCNC(C)Cc1ccccc1F 270004a_100000209983_100000709178 [0,2,0,0,0,0|1,0,1]=4 6590 B16R1.4621 CCOCCNC(C)Cc1ccccc1Br 270004a_102516460346_100011350739 [0,2,0,0,0,0|1,0,1]=4 6591 B16R1.4621 CCOCCNC(C)Cc1ccccc1C 270004a_102516460346_200000764500 [0,2,0,0,0,0|1,0,1]=4 6592 B16R1.4621 CCOCCNC(C)Cc1ccccc1Cl 270004a_102516460346_100000758791 [0,2,0,0,0,0|1,0,1]=4 6593 B16R1.4621 CCOCCNC(C)Cc1ccccc1F 270004a_102516460346_100000709178 [0,2,0,0,0,0|1,0,1]=4 6594 B16R1.4621 CCSCCNC(C)Cc1ccccc1Br 270004a_100000106463_100011350739 [0,2,0,0,0,0|1,0,1]=4 6595 B16R1.4621 CCSCCNC(C)Cc1ccccc1C 270004a_100000106463_200000764500 [0,2,0,0,0,0|1,0,1]=4 6596 B16R1.4621 CCSCCNC(C)Cc1ccccc1Cl 270004a_100000106463_100000758791 [0,2,0,0,0,0|1,0,1]=4 6597 B16R1.4621 CCSCCNC(C)Cc1ccccc1F 270004a_100000106463_100000709178 [0,2,0,0,0,0|1,0,1]=4 6598 B16R1.4621 CN(CCCCC#N)Cc1ccccc1Br 2230a_100000184654_100000211819 [0,2,0,0,0,0|2,0,0]=4 6599 B16R1.4621 CN(CCCCC#N)Cc1ccccc1Br 269982a_100000184654_100011219923 [0,2,0,0,0,0|2,0,0]=4 6600 B16R1.4621 CN(CCCCC#N)Cc1ccccc1Cl 2230a_100000184507_100000211819 [0,2,0,0,0,0|2,0,0]=4 6601 B16R1.4621 CN(CCCCC#N)Cc1ccccc1Cl 269982a_100000184507_100011219923 [0,2,0,0,0,0|2,0,0]=4 6602 B16R1.4621 CN(CCCCC#N)Cc1ccccc1F 2230a_100000742528_100000211819 [0,2,0,0,0,0|2,0,0]=4 6603 B16R1.4621 CN(CCCCC#N)Cc1ccccc1F 269982a_100000742528_100011219923 [0,2,0,0,0,0|2,0,0]=4 6604 B16R1.4621 CN(CCCCC#N)Cc1ccccc1O 2230a_100015189988_100000211819 [0,2,0,0,0,0|2,0,0]=4 6605 B16R1.4621 CN(CCCCC#N)Cc1ccccc1O 269982a_100015189988_100011219923 [0,2,0,0,0,0|2,0,0]=4 6606 B16R1.4621 CN(CCOCC#N)Cc1ccccc1Br 2230a_100000184654_200000047693 [0,2,0,0,0,0|2,0,0]=4 6607 B16R1.4621 CN(CCOCC#N)Cc1ccccc1Cl 2230a_100000184507_200000047693 [0,2,0,0,0,0|2,0,0]=4 6608 B16R1.4621 CN(CCOCC#N)Cc1ccccc1F 2230a_100000742528_200000047693 [0,2,0,0,0,0|2,0,0]=4 6609 B16R1.4621 CN(CCOCC#N)Cc1ccccc1O 2230a_100015189988_200000047693 [0,2,0,0,0,0|2,0,0]=4 6610 B16R1.4621 COCCCNC(C)Cc1ccccc1Br 270004a_100150723488_100011350739 [0,2,0,0,0,0|1,0,1]=4 6611 B16R1.4621 COCCCNC(C)Cc1ccccc1C 270004a_100150723488_200000764500 [0,2,0,0,0,0|1,0,1]=4 6612 B16R1.4621 COCCCNC(C)Cc1ccccc1Cl 270004a_100150723488_100000758791 [0,2,0,0,0,0|1,0,1]=4 6613 B16R1.4621 COCCCNC(C)Cc1ccccc1F 270004a_100150723488_100000709178 [0,2,0,0,0,0|1,0,1]=4 6614 B16R1.4621 CSCCCNC(C)Cc1ccccc1Br 270004a_100000749238_100011350739 [0,2,0,0,0,0|1,0,1]=4 6615 B16R1.4621 CSCCCNC(C)Cc1ccccc1C 270004a_100000749238_200000764500 [0,2,0,0,0,0|1,0,1]=4 6616 B16R1.4621 CSCCCNC(C)Cc1ccccc1Cl 270004a_100000749238_100000758791 [0,2,0,0,0,0|1,0,1]=4 6617 B16R1.4621 CSCCCNC(C)Cc1ccccc1F 270004a_100000749238_100000709178 [0,2,0,0,0,0|1,0,1]=4 6618 B16R1.4621 Cc1ccccc1CC(=O)NNCCC#N 22a_100000229987_100000212180 [0,2,0,0,0,0|1,0,1]=4 6619 B16R1.4621 Cc1ccccc1CC(C)NCCCCO 270004a_100000750430_200000764500 [0,2,0,0,0,0|1,0,1]=4 6620 B16R1.4621 Cc1ccccc1CN(C)CCCCC#N 2230a_100000184421_100000211819 [0,2,0,0,0,0|2,0,0]=4 6621 B16R1.4621 Cc1ccccc1CN(C)CCCCC#N 269982a_100000184421_100011219923 [0,2,0,0,0,0|2,0,0]=4 6622 B16R1.4621 Cc1ccccc1CN(C)CCOCC#N 2230a_100000184421_200000047693 [0,2,0,0,0,0|2,0,0]=4 6623 B16R1.4621 N#CCCNNC(=O)Cc1ccccc1Br 22a_100000229987_100000751119 [0,2,0,0,0,0|1,0,1]=4 6624 B16R1.4621 N#CCCNNC(=O)Cc1ccccc1Cl 22a_100000229987_100000183793 [0,2,0,0,0,0|1,0,1]=4 6625 B16R1.4621 N#CCCNNC(=O)Cc1ccccc1F 22a_100000229987_100000212012 [0,2,0,0,0,0|1,0,1]=4 6626 B16R1.4621 N#CCCNNC(=O)Cc1ccccc1I 22a_100000229987_100000036491 [0,2,0,0,0,0|1,0,1]=4 6627 B16R1.4621 N#CCCNNC(=O)Cc1ccccc1O 22a_100000229987_100000743006 [0,2,0,0,0,0|1,0,1]=4 6628 B16R1.8504 C#CCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100011215417 [0,2,0,0,0,0|2,0,0]=4 6629 B16R1.8504 CC(C)(Cc1ccccc1)OCCCC#N 7a_100011215222_100000687738 [0,2,0,0,0,0|1,0,0]=3 6630 B16R1.8504 C[N+](C)(CCOCC#N)Cc1ccccc1 7a_100000138075_100011215382 [0,2,0,0,0,0|2,0,0]=4 6631 B16R1.8504 N#CCCNNS(=O)(=O)Cc1ccccc1 40a_100000229987_100000235865 [0,2,0,0,0,0|2,0,0]=4 6632 B16R1.61 C#CCCNC(C)C(=O)c1ccc(cc1)Br 34a_100000755551_100000184162 [0,2,0,0,0,0|1,0,1]=4 6633 B16R1.61 C#CCCNC(C)C(=O)c1ccc(cc1)C 34a_100000755551_100000726416 [0,2,0,0,0,0|1,0,1]=4 6634 B16R1.61 C#CCCNC(C)C(=O)c1ccc(cc1)F 34a_100000755551_100000229918 [0,2,0,0,0,0|1,0,1]=4 6635 B16R1.61 C#CCCNC(C)C(=O)c1ccc(cc1)O 34a_100000755551_200010205864 [0,2,0,0,0,0|1,0,1]=4 6636 B16R1.61 C#CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000688953 [0,2,0,0,0,0|1,0,0]=3 6637 B16R1.61 C#CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000688953 [0,2,0,0,0,0|1,0,0]=3 6638 B16R1.61 C=CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000754431 [0,2,0,0,0,0|1,0,1]=4 6639 B16R1.61 C=CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000754431 [0,2,0,0,0,0|1,0,1]=4 6640 B16R1.61 CC#CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000748600 [0,2,0,0,0,0|1,0,1]=4 6641 B16R1.61 CC#CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000748600 [0,2,0,0,0,0|1,0,1]=4 6642 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)Cl 11a_100000720768_100011216001 [0,2,0,0,0,0|1,0,1]=4 6643 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)Cl 1626a_100000720768_100011216001 [0,2,0,0,0,0|1,0,1]=4 6644 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)Cl 240690a_100000720768_100011216001 [0,2,0,0,0,0|1,0,1]=4 6645 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)Cl 527a_100000720768_100011216001 [0,2,0,0,0,0|1,0,1]=4 6646 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)F 11a_100000720768_100011435297 [0,2,0,0,0,0|1,0,1]=4 6647 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)F 1626a_100000720768_100011435297 [0,2,0,0,0,0|1,0,1]=4 6648 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)F 240690a_100000720768_100011435297 [0,2,0,0,0,0|1,0,1]=4 6649 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)F 527a_100000720768_100011435297 [0,2,0,0,0,0|1,0,1]=4 6650 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)O 240690a_100000720768_100000031422 [0,2,0,0,0,0|1,0,1]=4 6651 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)Br 62a_100000184162_100011215226 [0,2,0,0,0,0|1,0,1]=4 6652 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)Br 62a_100011215226_100000184162 [0,2,0,0,0,0|1,0,1]=4 6653 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)Cl 62a_100000183210_100011215226 [0,2,0,0,0,0|1,0,1]=4 6654 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)Cl 62a_100011215226_100000183210 [0,2,0,0,0,0|1,0,1]=4 6655 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)F 62a_100000229918_100011215226 [0,2,0,0,0,0|1,0,1]=4 6656 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)F 62a_100011215226_100000229918 [0,2,0,0,0,0|1,0,1]=4 6657 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)O 62a_100011215226_200010205864 [0,2,0,0,0,0|1,0,1]=4 6658 B16R1.61 CC(SCCC#N)C(=O)c1ccc(cc1)O 62a_200010205864_100011215226 [0,2,0,0,0,0|1,0,1]=4 6659 B16R1.61 CC(c1ccc(cc1)Br)N(C)CCCC#N 2230a_100000231103_100000687738 [0,2,0,0,0,0|2,0,0]=4 6660 B16R1.61 CC(c1ccc(cc1)Br)N(C)CCCC#N 269982a_100000231103_100000687738 [0,2,0,0,0,0|2,0,0]=4 6661 B16R1.61 CC(c1ccc(cc1)Cl)N(C)CCCC#N 2230a_100000231102_100000687738 [0,2,0,0,0,0|2,0,0]=4 6662 B16R1.61 CC(c1ccc(cc1)Cl)N(C)CCCC#N 269982a_100000231102_100000687738 [0,2,0,0,0,0|2,0,0]=4 6663 B16R1.61 CC(c1ccc(cc1)F)N(C)CCCC#N 2230a_100000222788_100000687738 [0,2,0,0,0,0|2,0,0]=4 6664 B16R1.61 CC(c1ccc(cc1)F)N(C)CCCC#N 269982a_100000222788_100000687738 [0,2,0,0,0,0|2,0,0]=4 6665 B16R1.61 CCCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210211 [0,2,0,0,0,0|1,0,1]=4 6666 B16R1.61 CCCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210210 [0,2,0,0,0,0|1,0,1]=4 6667 B16R1.61 COCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011201679 [0,2,0,0,0,0|2,0,0]=4 6668 B16R1.61 COCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011201679 [0,2,0,0,0,0|2,0,0]=4 6669 B16R1.61 CSCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000751147 [0,2,0,0,0,0|2,0,0]=4 6670 B16R1.61 CSCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000212216 [0,2,0,0,0,0|2,0,0]=4 6671 B16R1.61 C[C@@H](NCCC#N)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011215226 [0,2,0,0,0,0|0,0,0]=2 6672 B16R1.61 C[C@@H](NCCCF)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011934791 [0,2,0,0,0,0|1,0,1]=4 6673 B16R1.61 C[C@@H](NCCCF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011934791 [0,2,0,0,0,0|1,0,1]=4 6674 B16R1.61 C[C@@H](NCCCO)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000230001 [0,2,0,0,0,0|1,0,1]=4 6675 B16R1.61 C[C@@H](NCCCO)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000230001 [0,2,0,0,0,0|1,0,1]=4 6676 B16R1.61 Cc1ccc(cc1)C(=O)C(C)SCCC#N 62a_100000726416_100011215226 [0,2,0,0,0,0|1,0,1]=4 6677 B16R1.61 Cc1ccc(cc1)C(=O)C(C)SCCC#N 62a_100011215226_100000726416 [0,2,0,0,0,0|1,0,1]=4 6678 B16R1.61 Cc1ccc(cc1)C(C)C(=O)NCCC#N 11a_100000720768_100000751627 [0,2,0,0,0,0|1,0,1]=4 6679 B16R1.61 Cc1ccc(cc1)C(C)C(=O)NCCC#N 1626a_100000720768_100000751627 [0,2,0,0,0,0|1,0,1]=4 6680 B16R1.61 Cc1ccc(cc1)C(C)C(=O)NCCC#N 240690a_100000720768_100000751627 [0,2,0,0,0,0|1,0,1]=4 6681 B16R1.61 Cc1ccc(cc1)C(C)C(=O)NCCC#N 527a_100000720768_100000751627 [0,2,0,0,0,0|1,0,1]=4 6682 B16R1.61 Cc1ccc(cc1)[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100009815954 [0,2,0,0,0,0|1,0,1]=4 6683 B16R1.61 N#CCCNC(=O)C(F)c1ccc(cc1)Cl 11a_100000720768_100012277543 [0,2,0,0,0,0|1,0,1]=4 6684 B16R1.61 N#CCCNC(=O)C(F)c1ccc(cc1)Cl 1626a_100000720768_100012277543 [0,2,0,0,0,0|1,0,1]=4 6685 B16R1.61 N#CCCNC(=O)C(F)c1ccc(cc1)Cl 240690a_100000720768_100012277543 [0,2,0,0,0,0|1,0,1]=4 6686 B16R1.61 N#CCCNC(=O)C(F)c1ccc(cc1)Cl 527a_100000720768_100012277543 [0,2,0,0,0,0|1,0,1]=4 6687 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)Br 240690a_100000720768_100000756554 [0,2,0,0,0,0|1,0,1]=4 6688 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)F 240690a_100000720768_100000209909 [0,2,0,0,0,0|1,0,1]=4 6689 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)O 240690a_100000720768_100011215213 [0,2,0,0,0,0|1,0,1]=4 6690 B16R1.61 N#CCCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000720768_100009817493 [0,2,0,0,0,0|1,0,1]=4 6691 B16R1.62 C#CCCNC(C)C(=O)c1cccc(c1)Br 34a_100000755551_100012349134 [0,2,0,0,0,0|1,0,1]=4 6692 B16R1.62 C#CCCNC(C)C(=O)c1cccc(c1)Cl 34a_100000755551_100000184413 [0,2,0,0,0,0|1,0,1]=4 6693 B16R1.62 C#CCCNC(C)C(=O)c1cccc(c1)F 34a_100000755551_100012356231 [0,2,0,0,0,0|1,0,1]=4 6694 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Br 11a_100000720768_100000722698 [0,2,0,0,0,0|1,0,1]=4 6695 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Br 1626a_100000720768_100000722698 [0,2,0,0,0,0|1,0,1]=4 6696 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Br 240690a_100000720768_100000722698 [0,2,0,0,0,0|1,0,1]=4 6697 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Br 527a_100000720768_100000722698 [0,2,0,0,0,0|1,0,1]=4 6698 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Cl 11a_100000720768_100000762818 [0,2,0,0,0,0|1,0,1]=4 6699 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Cl 1626a_100000720768_100000762818 [0,2,0,0,0,0|1,0,1]=4 6700 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Cl 240690a_100000720768_100000762818 [0,2,0,0,0,0|1,0,1]=4 6701 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Cl 527a_100000720768_100000762818 [0,2,0,0,0,0|1,0,1]=4 6702 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)F 11a_100000720768_100000762896 [0,2,0,0,0,0|1,0,1]=4 6703 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)F 1626a_100000720768_100000762896 [0,2,0,0,0,0|1,0,1]=4 6704 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)F 240690a_100000720768_100000762896 [0,2,0,0,0,0|1,0,1]=4 6705 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)F 527a_100000720768_100000762896 [0,2,0,0,0,0|1,0,1]=4 6706 B16R1.62 CC(SCCC#N)C(=O)c1cccc(c1)Br 62a_100011215226_100012349134 [0,2,0,0,0,0|1,0,1]=4 6707 B16R1.62 CC(SCCC#N)C(=O)c1cccc(c1)Br 62a_100012349134_100011215226 [0,2,0,0,0,0|1,0,1]=4 6708 B16R1.62 CC(SCCC#N)C(=O)c1cccc(c1)Cl 62a_100000184413_100011215226 [0,2,0,0,0,0|1,0,1]=4 6709 B16R1.62 CC(SCCC#N)C(=O)c1cccc(c1)Cl 62a_100011215226_100000184413 [0,2,0,0,0,0|1,0,1]=4 6710 B16R1.62 CC(SCCC#N)C(=O)c1cccc(c1)F 62a_100011215226_100012356231 [0,2,0,0,0,0|1,0,1]=4 6711 B16R1.62 CC(SCCC#N)C(=O)c1cccc(c1)F 62a_100012356231_100011215226 [0,2,0,0,0,0|1,0,1]=4 6712 B16R1.62 CC(c1cccc(c1)Br)N(C)CCCC#N 2230a_100025717457_100000687738 [0,2,0,0,0,0|2,0,0]=4 6713 B16R1.62 CC(c1cccc(c1)Br)N(C)CCCC#N 269982a_100025717457_100000687738 [0,2,0,0,0,0|2,0,0]=4 6714 B16R1.62 CC(c1cccc(c1)F)N(C)CCCC#N 2230a_100000231114_100000687738 [0,2,0,0,0,0|2,0,0]=4 6715 B16R1.62 CC(c1cccc(c1)F)N(C)CCCC#N 269982a_100000231114_100000687738 [0,2,0,0,0,0|2,0,0]=4 6716 B16R1.62 Cc1cccc(c1)C(O)C(=O)NCCC#N 240690a_100000720768_100011434945 [0,2,0,0,0,0|1,0,1]=4 6717 B16R1.62 Cc1cccc(c1)[C@@H](C)C(=O)NCCC#N 11a_100000720768_200009911544 [0,2,0,0,0,0|1,0,1]=4 6718 B16R1.62 Cc1cccc(c1)[C@@H](C)C(=O)NCCC#N 1626a_100000720768_200009911544 [0,2,0,0,0,0|1,0,1]=4 6719 B16R1.62 Cc1cccc(c1)[C@@H](C)C(=O)NCCC#N 240690a_100000720768_200009911544 [0,2,0,0,0,0|1,0,1]=4 6720 B16R1.62 Cc1cccc(c1)[C@@H](C)C(=O)NCCC#N 527a_100000720768_200009911544 [0,2,0,0,0,0|1,0,1]=4 6721 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)Cl 240690a_100000720768_100011216955 [0,2,0,0,0,0|1,0,1]=4 6722 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)F 240690a_100000720768_100011434943 [0,2,0,0,0,0|1,0,1]=4 6723 B16R1.915 CC(CC#N)SC(C)C(=O)c1ccccc1 62a_100000239700_100009813641 [0,2,0,0,0,0|1,0,1]=4 6724 B16R1.915 CC(CC#N)SC(C)C(=O)c1ccccc1 62a_100009813641_100000239700 [0,2,0,0,0,0|1,0,1]=4 6725 B16R1.915 CC(N[C@@H](C)CC#N)C(=O)c1ccccc1 2230a_100016994482_100000239700 [0,2,0,0,0,0|0,0,1]=3 6726 B16R1.915 CC(c1ccccc1)N(C)C[C@@H](O)CC#N 2230a_100000195388_100000001066 [0,2,0,0,0,0|2,0,0]=4 6727 B16R1.915 C[C@@H](CC#N)NC(=O)C(F)c1ccccc1 11a_100016994482_100000698975 [0,2,0,0,0,0|1,0,1]=4 6728 B16R1.915 C[C@@H](CC#N)NC(=O)C(F)c1ccccc1 1626a_100016994482_100000698975 [0,2,0,0,0,0|1,0,1]=4 6729 B16R1.915 C[C@@H](CC#N)NC(=O)C(F)c1ccccc1 240690a_100016994482_100000698975 [0,2,0,0,0,0|1,0,1]=4 6730 B16R1.915 C[C@@H](CC#N)NC(=O)C(F)c1ccccc1 527a_100016994482_100000698975 [0,2,0,0,0,0|1,0,1]=4 6731 B16R1.915 C[C@@H](CC#N)NC(=O)[C@H](O)c1ccccc1 240690a_100016994482_100000684486 [0,2,0,0,0,0|1,0,1]=4 6732 B16R1.915 C[C@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 11a_100016994482_100000751047 [0,2,0,0,0,0|1,0,1]=4 6733 B16R1.915 C[C@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 1626a_100016994482_100000751047 [0,2,0,0,0,0|1,0,1]=4 6734 B16R1.915 C[C@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 240690a_100016994482_100000751047 [0,2,0,0,0,0|1,0,1]=4 6735 B16R1.915 C[C@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 527a_100016994482_100000751047 [0,2,0,0,0,0|1,0,1]=4 6736 B16R1.1244 CC(C(=O)CCC#N)C(=O)c1ccccc1 1458a_100011934036_100000239700 [0,2,0,0,0,0|1,0,1]=4 6737 B16R1.1244 CC(C(=O)c1ccccc1)N(C)CCC#N 2230a_100000184479_100000239700 [0,2,0,0,0,0|0,0,1]=3 6738 B16R1.1244 CC(c1ccccc1)N(C)C(=O)CCC#N 11a_100000195388_100011934036 [0,2,0,0,0,0|2,0,0]=4 6739 B16R1.1244 CC(c1ccccc1)N(C)C(=O)CCC#N 1626a_100000195388_100011934036 [0,2,0,0,0,0|2,0,0]=4 6740 B16R1.1244 CC(c1ccccc1)N(C)C(=O)CCC#N 240690a_100000195388_100011934036 [0,2,0,0,0,0|2,0,0]=4 6741 B16R1.1244 CC(c1ccccc1)N(C)C(=O)CCC#N 527a_100000195388_100011934036 [0,2,0,0,0,0|2,0,0]=4 6742 B16R1.1244 CN(CCC#N)C(=O)C(F)c1ccccc1 11a_100000184479_100000698975 [0,2,0,0,0,0|1,0,1]=4 6743 B16R1.1244 CN(CCC#N)C(=O)C(F)c1ccccc1 1626a_100000184479_100000698975 [0,2,0,0,0,0|1,0,1]=4 6744 B16R1.1244 CN(CCC#N)C(=O)C(F)c1ccccc1 240690a_100000184479_100000698975 [0,2,0,0,0,0|1,0,1]=4 6745 B16R1.1244 CN(CCC#N)C(=O)C(F)c1ccccc1 527a_100000184479_100000698975 [0,2,0,0,0,0|1,0,1]=4 6746 B16R1.1244 CN(CCC#N)C(=O)[C@H](O)c1ccccc1 240690a_100000184479_100000684486 [0,2,0,0,0,0|1,0,1]=4 6747 B16R1.1244 C[C@H](C(=O)N(C)CCC#N)c1ccccc1 11a_100000184479_100000751047 [0,2,0,0,0,0|1,0,1]=4 6748 B16R1.1244 C[C@H](C(=O)N(C)CCC#N)c1ccccc1 1626a_100000184479_100000751047 [0,2,0,0,0,0|1,0,1]=4 6749 B16R1.1244 C[C@H](C(=O)N(C)CCC#N)c1ccccc1 240690a_100000184479_100000751047 [0,2,0,0,0,0|1,0,1]=4 6750 B16R1.1244 C[C@H](C(=O)N(C)CCC#N)c1ccccc1 527a_100000184479_100000751047 [0,2,0,0,0,0|1,0,1]=4 6751 B16R1.1420 C#CCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000688953 [0,2,0,0,0,0|1,0,0]=3 6752 B16R1.1420 C=CCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000754431 [0,2,0,0,0,0|1,0,1]=4 6753 B16R1.1420 CC#CCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000748600 [0,2,0,0,0,0|1,0,1]=4 6754 B16R1.1420 CCCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000210211 [0,2,0,0,0,0|1,0,1]=4 6755 B16R1.1420 COCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100011201679 [0,2,0,0,0,0|2,0,0]=4 6756 B16R1.1420 CSCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000751147 [0,2,0,0,0,0|2,0,0]=4 6757 B16R1.1420 N#CCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100011215226 [0,2,0,0,0,0|0,0,0]=2 6758 B16R1.1420 OCCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000230001 [0,2,0,0,0,0|1,0,1]=4 6759 B16R1.1420 OC[C@@H](NCCCF)[C@H](O)c1ccccc1 2230a_100000004308_100011934791 [0,2,0,0,0,0|1,0,1]=4 6760 B16R1.1701 CC(C)(C(=O)NCCC#N)c1ccccc1 11a_100000720768_100000211857 [0,2,0,0,0,0|1,0,1]=4 6761 B16R1.1701 CC(C)(C(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000211857 [0,2,0,0,0,0|1,0,1]=4 6762 B16R1.1701 CC(C)(C(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000211857 [0,2,0,0,0,0|1,0,1]=4 6763 B16R1.1701 CC(C)(C(=O)NCCC#N)c1ccccc1 527a_100000720768_100000211857 [0,2,0,0,0,0|1,0,1]=4 6764 B16R1.1701 C[C@](O)(C(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000753667 [0,2,0,0,0,0|1,0,1]=4 6765 B16R1.1701 N#CCCNC(=O)C(F)(F)c1ccccc1 11a_100000720768_100000182030 [0,2,0,0,0,0|1,0,1]=4 6766 B16R1.1701 N#CCCNC(=O)C(F)(F)c1ccccc1 1626a_100000720768_100000182030 [0,2,0,0,0,0|1,0,1]=4 6767 B16R1.1701 N#CCCNC(=O)C(F)(F)c1ccccc1 240690a_100000720768_100000182030 [0,2,0,0,0,0|1,0,1]=4 6768 B16R1.1701 N#CCCNC(=O)C(F)(F)c1ccccc1 527a_100000720768_100000182030 [0,2,0,0,0,0|1,0,1]=4 6769 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 11a_100000720768_100000211302 [0,2,0,0,0,0|1,0,1]=4 6770 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000211302 [0,2,0,0,0,0|1,0,1]=4 6771 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000211302 [0,2,0,0,0,0|1,0,1]=4 6772 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 527a_100000720768_100000211302 [0,2,0,0,0,0|1,0,1]=4 6773 B16R1.1705 CCC(c1ccccc1)N(C)CCCC#N 2230a_100000737544_100000687738 [0,2,0,0,0,0|2,0,0]=4 6774 B16R1.1705 CCC(c1ccccc1)N(C)CCCC#N 269982a_100000737544_100000687738 [0,2,0,0,0,0|2,0,0]=4 6775 B16R1.1705 CO[C@@H](C(=O)NCCC#N)c1ccccc1 11a_100000720768_100000698336 [0,2,0,0,0,0|1,0,1]=4 6776 B16R1.1705 CO[C@@H](C(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000698336 [0,2,0,0,0,0|1,0,1]=4 6777 B16R1.1705 CO[C@@H](C(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000698336 [0,2,0,0,0,0|1,0,1]=4 6778 B16R1.1705 CO[C@@H](C(=O)NCCC#N)c1ccccc1 527a_100000720768_100000698336 [0,2,0,0,0,0|1,0,1]=4 6779 B16R1.1705 N#CCCNC(=O)C(CO)c1ccccc1 240690a_100000720768_100011218805 [0,2,0,0,0,0|1,0,1]=4 6780 B16R1.2925 C=C(C#N)CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000694840 [0,2,0,0,0,0|1,0,1]=4 6781 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Br 11a_100000720768_100012359601 [0,2,0,0,0,0|1,0,1]=4 6782 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Br 1626a_100000720768_100012359601 [0,2,0,0,0,0|1,0,1]=4 6783 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Br 240690a_100000720768_100012359601 [0,2,0,0,0,0|1,0,1]=4 6784 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Br 527a_100000720768_100012359601 [0,2,0,0,0,0|1,0,1]=4 6785 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Cl 11a_100000720768_100011667492 [0,2,0,0,0,0|1,0,1]=4 6786 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Cl 1626a_100000720768_100011667492 [0,2,0,0,0,0|1,0,1]=4 6787 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Cl 240690a_100000720768_100011667492 [0,2,0,0,0,0|1,0,1]=4 6788 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Cl 527a_100000720768_100011667492 [0,2,0,0,0,0|1,0,1]=4 6789 B16R1.5684 CC(SCCC#N)C(=O)c1ccccc1Cl 62a_100010255250_100011215226 [0,2,0,0,0,0|1,0,1]=4 6790 B16R1.5684 CC(SCCC#N)C(=O)c1ccccc1Cl 62a_100011215226_100010255250 [0,2,0,0,0,0|1,0,1]=4 6791 B16R1.5684 CC(c1ccccc1Br)N(C)CCCC#N 2230a_100000692418_100000687738 [0,2,0,0,0,0|2,0,0]=4 6792 B16R1.5684 CC(c1ccccc1Br)N(C)CCCC#N 269982a_100000692418_100000687738 [0,2,0,0,0,0|2,0,0]=4 6793 B16R1.5684 CC(c1ccccc1F)N(C)CCCC#N 2230a_100000231110_100000687738 [0,2,0,0,0,0|2,0,0]=4 6794 B16R1.5684 CC(c1ccccc1F)N(C)CCCC#N 269982a_100000231110_100000687738 [0,2,0,0,0,0|2,0,0]=4 6795 B16R1.5684 N#CCCNC(=O)C(O)c1ccccc1Br 240690a_100000720768_200011356456 [0,2,0,0,0,0|1,0,1]=4 6796 B16R1.5684 N#CCCNC(=O)C(O)c1ccccc1Cl 240690a_100000720768_100011217820 [0,2,0,0,0,0|1,0,1]=4 6797 B16R1.5684 N#CCCNC(=O)C(O)c1ccccc1F 240690a_100000720768_100011219519 [0,2,0,0,0,0|1,0,1]=4 6798 B16R1.20512 CC(C)(OCCC#N)C(=O)c1ccccc1 7a_100011217161_100000184422 [0,2,0,0,0,0|1,0,1]=4 6799 B16R1.20512 CC(C)(SCCC#N)C(=O)c1ccccc1 62a_100011215226_200009813919 [0,2,0,0,0,0|1,0,1]=4 6800 B16R1.20512 CC(C)(SCCC#N)C(=O)c1ccccc1 62a_200009813919_100011215226 [0,2,0,0,0,0|1,0,1]=4 6801 B16R1.658 C#CCCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000753159 [0,2,0,0,0,0|2,0,0]=4 6802 B16R1.658 C#CCCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000753159 [0,2,0,0,0,0|2,0,0]=4 6803 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100020639649_100000691760 [0,2,0,0,0,0|1,0,1]=4 6804 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)C 270004a_100020639649_100000751045 [0,2,0,0,0,0|1,0,1]=4 6805 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100020639649_100000747806 [0,2,0,0,0,0|1,0,1]=4 6806 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)F 270004a_100020639649_100000745281 [0,2,0,0,0,0|1,0,1]=4 6807 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)O 270004a_100020639649_100011218180 [0,2,0,0,0,0|1,0,1]=4 6808 B16R1.658 CC(Cc1ccc(cc1)Br)C(=O)CCC#N 1458a_100000695199_100011215226 [0,2,0,0,0,0|1,0,0]=3 6809 B16R1.658 CC(Cc1ccc(cc1)Br)C(=O)NCC#N 1626a_100000734998_100000695199 [0,2,0,0,0,0|2,0,0]=4 6810 B16R1.658 CC(Cc1ccc(cc1)Br)C(=O)NCC#N 527a_100000734998_100000695199 [0,2,0,0,0,0|2,0,0]=4 6811 B16R1.658 CC(Cc1ccc(cc1)Br)N(C)CCC#N 270004a_100000184479_100000691760 [0,2,0,0,0,0|0,0,0]=2 6812 B16R1.658 CC(Cc1ccc(cc1)Br)N(C)CCCO 270004a_100000213112_100000691760 [0,2,0,0,0,0|1,0,1]=4 6813 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCC#N 270004a_100000184479_100000747806 [0,2,0,0,0,0|0,0,0]=2 6814 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCCO 270004a_100000213112_100000747806 [0,2,0,0,0,0|1,0,1]=4 6815 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)CCC#N 1458a_100000746122_100011215226 [0,2,0,0,0,0|1,0,0]=3 6816 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)NCC#N 1626a_100000734998_100000746122 [0,2,0,0,0,0|2,0,0]=4 6817 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)NCC#N 527a_100000734998_100000746122 [0,2,0,0,0,0|2,0,0]=4 6818 B16R1.658 CC(Cc1ccc(cc1)F)N(C)CCC#N 270004a_100000184479_100000745281 [0,2,0,0,0,0|0,0,0]=2 6819 B16R1.658 CC(Cc1ccc(cc1)F)N(C)CCCO 270004a_100000213112_100000745281 [0,2,0,0,0,0|1,0,1]=4 6820 B16R1.658 CC(Cc1ccc(cc1)O)N(C)CCC#N 270004a_100000184479_100011218180 [0,2,0,0,0,0|0,0,0]=2 6821 B16R1.658 CC(Cc1ccc(cc1)O)N(C)CCCO 270004a_100000213112_100011218180 [0,2,0,0,0,0|1,0,1]=4 6822 B16R1.658 CC(Oc1ccc(cc1)Br)C(=O)CCC#N 1458a_100000181392_100011215226 [0,2,0,0,0,0|2,0,0]=4 6823 B16R1.658 CC(Oc1ccc(cc1)Cl)C(=O)CCC#N 1458a_100000184027_100011215226 [0,2,0,0,0,0|2,0,0]=4 6824 B16R1.658 CC(Oc1ccc(cc1)F)C(=O)CCC#N 1458a_100000203723_100011215226 [0,2,0,0,0,0|2,0,0]=4 6825 B16R1.658 CC(Sc1ccc(cc1)Cl)C(=O)CCC#N 1458a_100000178403_100011215226 [0,2,0,0,0,0|2,0,0]=4 6826 B16R1.658 CC(Sc1ccc(cc1)F)C(=O)CCC#N 1458a_100000181075_100011215226 [0,2,0,0,0,0|2,0,0]=4 6827 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000207549_100000691760 [0,2,0,0,0,0|1,0,1]=4 6828 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000207549_100000751045 [0,2,0,0,0,0|1,0,1]=4 6829 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000207549_100000747806 [0,2,0,0,0,0|1,0,1]=4 6830 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000207549_100000745281 [0,2,0,0,0,0|1,0,1]=4 6831 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000207549_100011218180 [0,2,0,0,0,0|1,0,1]=4 6832 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Br 11a_100000184479_100000198978 [0,2,0,0,0,0|1,0,1]=4 6833 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Br 240690a_100000184479_100000198978 [0,2,0,0,0,0|1,0,1]=4 6834 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Br 527a_100000184479_100000198978 [0,2,0,0,0,0|1,0,1]=4 6835 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Cl 11a_100000184479_100000211027 [0,2,0,0,0,0|1,0,1]=4 6836 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Cl 240690a_100000184479_100000211027 [0,2,0,0,0,0|1,0,1]=4 6837 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Cl 527a_100000184479_100000211027 [0,2,0,0,0,0|1,0,1]=4 6838 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)F 11a_100000184479_100000210951 [0,2,0,0,0,0|1,0,1]=4 6839 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)F 1626a_100000184479_100000210951 [0,2,0,0,0,0|1,0,1]=4 6840 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)F 240690a_100000184479_100000210951 [0,2,0,0,0,0|1,0,1]=4 6841 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)F 527a_100000184479_100000210951 [0,2,0,0,0,0|1,0,1]=4 6842 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)I 11a_100000184479_100000688869 [0,2,0,0,0,0|1,0,1]=4 6843 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)I 1626a_100000184479_100000688869 [0,2,0,0,0,0|1,0,1]=4 6844 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)I 240690a_100000184479_100000688869 [0,2,0,0,0,0|1,0,1]=4 6845 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)I 527a_100000184479_100000688869 [0,2,0,0,0,0|1,0,1]=4 6846 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)O 1626a_100000184479_100000198540 [0,2,0,0,0,0|1,0,1]=4 6847 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)O 240690a_100000184479_100000198540 [0,2,0,0,0,0|1,0,1]=4 6848 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)O 527a_100000184479_100000198540 [0,2,0,0,0,0|1,0,1]=4 6849 B16R1.658 CN(Cc1ccc(cc1)Br)C(=O)CCC#N 11a_100000180866_100011934036 [0,2,0,0,0,0|2,0,0]=4 6850 B16R1.658 CN(Cc1ccc(cc1)Br)C(=O)CCC#N 1626a_100000180866_100011934036 [0,2,0,0,0,0|2,0,0]=4 6851 B16R1.658 CN(Cc1ccc(cc1)Br)C(=O)CCC#N 240690a_100000180866_100011934036 [0,2,0,0,0,0|2,0,0]=4 6852 B16R1.658 CN(Cc1ccc(cc1)Br)C(=O)CCC#N 527a_100000180866_100011934036 [0,2,0,0,0,0|2,0,0]=4 6853 B16R1.658 CN(Cc1ccc(cc1)Cl)C(=O)CCC#N 11a_100000184517_100011934036 [0,2,0,0,0,0|2,0,0]=4 6854 B16R1.658 CN(Cc1ccc(cc1)Cl)C(=O)CCC#N 1626a_100000184517_100011934036 [0,2,0,0,0,0|2,0,0]=4 6855 B16R1.658 CN(Cc1ccc(cc1)Cl)C(=O)CCC#N 240690a_100000184517_100011934036 [0,2,0,0,0,0|2,0,0]=4 6856 B16R1.658 CN(Cc1ccc(cc1)Cl)C(=O)CCC#N 527a_100000184517_100011934036 [0,2,0,0,0,0|2,0,0]=4 6857 B16R1.658 CN(Cc1ccc(cc1)F)C(=O)CCC#N 11a_100000184576_100011934036 [0,2,0,0,0,0|2,0,0]=4 6858 B16R1.658 CN(Cc1ccc(cc1)F)C(=O)CCC#N 1626a_100000184576_100011934036 [0,2,0,0,0,0|2,0,0]=4 6859 B16R1.658 CN(Cc1ccc(cc1)F)C(=O)CCC#N 240690a_100000184576_100011934036 [0,2,0,0,0,0|2,0,0]=4 6860 B16R1.658 CN(Cc1ccc(cc1)F)C(=O)CCC#N 527a_100000184576_100011934036 [0,2,0,0,0,0|2,0,0]=4 6861 B16R1.658 CN(Cc1ccc(cc1)O)C(=O)CCC#N 240690a_100000207500_100011934036 [0,2,0,0,0,0|2,0,0]=4 6862 B16R1.658 CN(Cc1ccc(cc1)O)C(=O)CCC#N 527a_100000207500_100011934036 [0,2,0,0,0,0|2,0,0]=4 6863 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000743101_100000691760 [0,2,0,0,0,0|2,0,0]=4 6864 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000743101_100000751045 [0,2,0,0,0,0|2,0,0]=4 6865 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000743101_100000747806 [0,2,0,0,0,0|2,0,0]=4 6866 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000743101_100000745281 [0,2,0,0,0,0|2,0,0]=4 6867 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000743101_100011218180 [0,2,0,0,0,0|2,0,0]=4 6868 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000686725_100000691760 [0,2,0,0,0,0|2,0,0]=4 6869 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000686725_100000751045 [0,2,0,0,0,0|2,0,0]=4 6870 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000686725_100000747806 [0,2,0,0,0,0|2,0,0]=4 6871 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000686725_100000745281 [0,2,0,0,0,0|2,0,0]=4 6872 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000686725_100011218180 [0,2,0,0,0,0|2,0,0]=4 6873 B16R1.658 C[C@@H](Oc1ccc(cc1)O)C(=O)CCC#N 1458a_100000005562_100011215226 [0,2,0,0,0,0|2,0,0]=4 6874 B16R1.658 Cc1ccc(cc1)CC(=O)N(C)CCC#N 11a_100000184479_100000212244 [0,2,0,0,0,0|1,0,1]=4 6875 B16R1.658 Cc1ccc(cc1)CC(=O)N(C)CCC#N 240690a_100000184479_100000212244 [0,2,0,0,0,0|1,0,1]=4 6876 B16R1.658 Cc1ccc(cc1)CC(=O)N(C)CCC#N 527a_100000184479_100000212244 [0,2,0,0,0,0|1,0,1]=4 6877 B16R1.658 Cc1ccc(cc1)CC(C)N(C)CCC#N 270004a_100000184479_100000751045 [0,2,0,0,0,0|0,0,0]=2 6878 B16R1.658 Cc1ccc(cc1)CC(C)N(C)CCCO 270004a_100000213112_100000751045 [0,2,0,0,0,0|1,0,1]=4 6879 B16R1.658 Cc1ccc(cc1)CN(C)C(=O)CCC#N 11a_100000744650_100011934036 [0,2,0,0,0,0|2,0,0]=4 6880 B16R1.658 Cc1ccc(cc1)CN(C)C(=O)CCC#N 1626a_100000744650_100011934036 [0,2,0,0,0,0|2,0,0]=4 6881 B16R1.658 Cc1ccc(cc1)CN(C)C(=O)CCC#N 240690a_100000744650_100011934036 [0,2,0,0,0,0|2,0,0]=4 6882 B16R1.658 Cc1ccc(cc1)CN(C)C(=O)CCC#N 527a_100000744650_100011934036 [0,2,0,0,0,0|2,0,0]=4 6883 B16R1.658 Cc1ccc(cc1)OC(C)C(=O)CCC#N 1458a_100000183867_100011215226 [0,2,0,0,0,0|2,0,0]=4 6884 B16R1.658 Cc1ccc(cc1)SC(C)C(=O)CCC#N 1458a_100000181072_100011215226 [0,2,0,0,0,0|2,0,0]=4 6885 B16R1.658 N#CCCC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100011215226 [0,2,0,0,0,0|2,0,0]=4 6886 B16R1.658 N#CCCC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_100011215226 [0,2,0,0,0,0|2,0,0]=4 6887 B16R1.658 N#CCCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100011215226 [0,2,0,0,0,0|2,0,0]=4 6888 B16R1.658 N#CCCC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100011215226 [0,2,0,0,0,0|2,0,0]=4 6889 B16R1.955 C#CCC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100011220946 [0,2,0,0,0,0|1,0,1]=4 6890 B16R1.955 CC(CC#N)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100009813641 [0,2,0,0,0,0|0,0,0]=2 6891 B16R1.955 CC(CC#N)OC(C)Cc1ccc(cc1)F 7a_100011351027_100009813641 [0,2,0,0,0,0|1,0,0]=3 6892 B16R1.955 CC(CCO)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100009893172 [0,2,0,0,0,0|1,0,1]=4 6893 B16R1.955 CC(CCO)NC(C)Cc1ccc(cc1)O 34a_100102634573_100009893172 [0,2,0,0,0,0|1,0,1]=4 6894 B16R1.955 CC(Cc1ccc(cc1)Br)N[C@H](C)CCO 270004a_100000706166_100000691760 [0,2,0,0,0,0|1,0,1]=4 6895 B16R1.955 CC(Cc1ccc(cc1)Cl)N[C@H](C)CCO 270004a_100000706166_100000747806 [0,2,0,0,0,0|1,0,1]=4 6896 B16R1.955 CC(Cc1ccc(cc1)F)N[C@H](C)CCO 270004a_100000706166_100000745281 [0,2,0,0,0,0|1,0,1]=4 6897 B16R1.955 CC(Cc1ccc(cc1)O)NC(=O)CC#N 240690a_100102634573_100051588842 [0,2,0,0,0,0|0,0,1]=3 6898 B16R1.955 CC(Cc1ccc(cc1)O)N[C@H](C)CCO 270004a_100000706166_100011218180 [0,2,0,0,0,0|1,0,1]=4 6899 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)Br 270004a_100000741246_100000691760 [0,2,0,0,0,0|1,0,1]=4 6900 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)C 270004a_100000741246_100000751045 [0,2,0,0,0,0|1,0,1]=4 6901 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)Cl 270004a_100000741246_100000747806 [0,2,0,0,0,0|1,0,1]=4 6902 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)F 270004a_100000741246_100000745281 [0,2,0,0,0,0|1,0,1]=4 6903 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100000766640 [0,2,0,0,0,0|1,0,1]=4 6904 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 270004a_100000741246_100011218180 [0,2,0,0,0,0|1,0,1]=4 6905 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 270004a_100102634573_100000211909 [0,2,0,0,0,0|1,0,1]=4 6906 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 34a_100102634573_100000766640 [0,2,0,0,0,0|1,0,1]=4 6907 B16R1.955 CN(Cc1ccc(cc1)Br)C[C@@H](O)CC#N 2230a_100000180866_100000001066 [0,2,0,0,0,0|2,0,0]=4 6908 B16R1.955 CN(Cc1ccc(cc1)Cl)C[C@@H](O)CC#N 2230a_100000184517_100000001066 [0,2,0,0,0,0|2,0,0]=4 6909 B16R1.955 CN(Cc1ccc(cc1)F)C[C@@H](O)CC#N 2230a_100000184576_100000001066 [0,2,0,0,0,0|2,0,0]=4 6910 B16R1.955 CN(Cc1ccc(cc1)O)C[C@@H](O)CC#N 2230a_100000207500_100000001066 [0,2,0,0,0,0|2,0,0]=4 6911 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100000765312 [0,2,0,0,0,0|2,0,0]=4 6912 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)O 270004a_100102634573_100000749346 [0,2,0,0,0,0|2,0,0]=4 6913 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)O 34a_100102634573_100000765312 [0,2,0,0,0,0|2,0,0]=4 6914 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)Br 270004a_100000764878_100000691760 [0,2,0,0,0,0|2,0,0]=4 6915 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)C 270004a_100000764878_100000751045 [0,2,0,0,0,0|2,0,0]=4 6916 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)Cl 270004a_100000764878_100000747806 [0,2,0,0,0,0|2,0,0]=4 6917 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)F 270004a_100000764878_100000745281 [0,2,0,0,0,0|2,0,0]=4 6918 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)O 270004a_100000764878_100011218180 [0,2,0,0,0,0|2,0,0]=4 6919 B16R1.955 CSCC(C)NC(C)Cc1ccc(cc1)O 270004a_100102634573_100011216314 [0,2,0,0,0,0|2,0,0]=4 6920 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Br 11a_100016994482_100000198978 [0,2,0,0,0,0|1,0,1]=4 6921 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Br 240690a_100016994482_100000198978 [0,2,0,0,0,0|1,0,1]=4 6922 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Br 527a_100016994482_100000198978 [0,2,0,0,0,0|1,0,1]=4 6923 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Cl 11a_100016994482_100000211027 [0,2,0,0,0,0|1,0,1]=4 6924 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Cl 240690a_100016994482_100000211027 [0,2,0,0,0,0|1,0,1]=4 6925 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Cl 527a_100016994482_100000211027 [0,2,0,0,0,0|1,0,1]=4 6926 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)F 11a_100016994482_100000210951 [0,2,0,0,0,0|1,0,1]=4 6927 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)F 1626a_100016994482_100000210951 [0,2,0,0,0,0|1,0,1]=4 6928 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)F 240690a_100016994482_100000210951 [0,2,0,0,0,0|1,0,1]=4 6929 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)F 527a_100016994482_100000210951 [0,2,0,0,0,0|1,0,1]=4 6930 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)I 11a_100016994482_100000688869 [0,2,0,0,0,0|1,0,1]=4 6931 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)I 1626a_100016994482_100000688869 [0,2,0,0,0,0|1,0,1]=4 6932 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)I 240690a_100016994482_100000688869 [0,2,0,0,0,0|1,0,1]=4 6933 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)I 527a_100016994482_100000688869 [0,2,0,0,0,0|1,0,1]=4 6934 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)O 1626a_100016994482_100000198540 [0,2,0,0,0,0|1,0,1]=4 6935 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)O 240690a_100016994482_100000198540 [0,2,0,0,0,0|1,0,1]=4 6936 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)O 527a_100016994482_100000198540 [0,2,0,0,0,0|1,0,1]=4 6937 B16R1.955 Cc1ccc(cc1)CC(=O)N[C@@H](C)CC#N 11a_100016994482_100000212244 [0,2,0,0,0,0|1,0,1]=4 6938 B16R1.955 Cc1ccc(cc1)CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000212244 [0,2,0,0,0,0|1,0,1]=4 6939 B16R1.955 Cc1ccc(cc1)CC(=O)N[C@@H](C)CC#N 527a_100016994482_100000212244 [0,2,0,0,0,0|1,0,1]=4 6940 B16R1.955 Cc1ccc(cc1)CC(C)N[C@H](C)CCO 270004a_100000706166_100000751045 [0,2,0,0,0,0|1,0,1]=4 6941 B16R1.955 Cc1ccc(cc1)CN(C)C[C@@H](O)CC#N 2230a_100000744650_100000001066 [0,2,0,0,0,0|2,0,0]=4 6942 B16R1.1067 C=C(C)CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000730704 [0,2,0,0,0,0|1,0,1]=4 6943 B16R1.1067 C=C(C)CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000730704 [0,2,0,0,0,0|1,0,1]=4 6944 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)Br 270004a_100000210545_100000691760 [0,2,0,0,0,0|1,0,1]=4 6945 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)Cl 270004a_100000210545_100000747806 [0,2,0,0,0,0|1,0,1]=4 6946 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)F 270004a_100000210545_100000745281 [0,2,0,0,0,0|1,0,1]=4 6947 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210312 [0,2,0,0,0,0|1,0,1]=4 6948 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 269862a_100102634573_100000185833 [0,2,0,0,0,0|1,0,1]=4 6949 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 270004a_100000210545_100011218180 [0,2,0,0,0,0|1,0,1]=4 6950 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210312 [0,2,0,0,0,0|1,0,1]=4 6951 B16R1.1067 CC(Cc1ccc(cc1)Br)NCCN(C)C 270004a_100000210585_100000691760 [0,2,0,0,0,0|2,0,0]=4 6952 B16R1.1067 CC(Cc1ccc(cc1)Cl)NCCN(C)C 270004a_100000210585_100000747806 [0,2,0,0,0,0|2,0,0]=4 6953 B16R1.1067 CC(Cc1ccc(cc1)F)NCCN(C)C 270004a_100000210585_100000745281 [0,2,0,0,0,0|2,0,0]=4 6954 B16R1.1067 CC(Cc1ccc(cc1)O)NCCC(=O)N 2230a_100102634573_100000744528 [0,2,0,0,0,0|0,0,2]=4 6955 B16R1.1067 CC(Cc1ccc(cc1)O)NCCC(=O)N 34a_100102634573_100000731001 [0,2,0,0,0,0|0,0,2]=4 6956 B16R1.1067 CC(Cc1ccc(cc1)O)NCCN(C)C 270004a_100000210585_100011218180 [0,2,0,0,0,0|2,0,0]=4 6957 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)Br 270004a_200000755665_100000691760 [0,2,0,0,0,0|1,0,1]=4 6958 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)Cl 270004a_200000755665_100000747806 [0,2,0,0,0,0|1,0,1]=4 6959 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)F 270004a_200000755665_100000745281 [0,2,0,0,0,0|1,0,1]=4 6960 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100012276601 [0,2,0,0,0,0|1,0,1]=4 6961 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)O 270004a_200000755665_100011218180 [0,2,0,0,0,0|1,0,1]=4 6962 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100012276601 [0,2,0,0,0,0|1,0,1]=4 6963 B16R1.1067 Cc1ccc(cc1)CC(C)NCCC(C)C 270004a_100000210545_100000751045 [0,2,0,0,0,0|1,0,1]=4 6964 B16R1.1067 Cc1ccc(cc1)CC(C)NCCC(C)O 270004a_200000755665_100000751045 [0,2,0,0,0,0|1,0,1]=4 6965 B16R1.1067 Cc1ccc(cc1)CC(C)NCCN(C)C 270004a_100000210585_100000751045 [0,2,0,0,0,0|2,0,0]=4 6966 B16R1.1147 C=C(C#N)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000694840 [0,2,0,0,0,0|0,0,1]=3 6967 B16R1.1147 C=C(C#N)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100000694840 [0,2,0,0,0,0|0,0,1]=3 6968 B16R1.1147 C=C(C#N)COC(C)Cc1ccc(cc1)F 34a_100011351027_100000694840 [0,2,0,0,0,0|1,0,1]=4 6969 B16R1.1147 C=CC(O)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000730141 [0,2,0,0,0,0|1,0,1]=4 6970 B16R1.1147 C=CC(O)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100000730141 [0,2,0,0,0,0|1,0,1]=4 6971 B16R1.1147 CC(Cc1ccc(cc1)Br)NC[C@@H](F)CO 270004a_100015665980_100000691760 [0,2,0,0,0,0|1,0,1]=4 6972 B16R1.1147 CC(Cc1ccc(cc1)Cl)NC[C@@H](F)CO 270004a_100015665980_100000747806 [0,2,0,0,0,0|1,0,1]=4 6973 B16R1.1147 CC(Cc1ccc(cc1)F)NC[C@@H](F)CO 270004a_100015665980_100000745281 [0,2,0,0,0,0|1,0,1]=4 6974 B16R1.1147 CC(Cc1ccc(cc1)O)NCC(O)CO 2230a_100102634573_100011219619 [0,2,0,0,0,0|1,0,1]=4 6975 B16R1.1147 CC(Cc1ccc(cc1)O)NCC(O)CO 34a_100102634573_100011219619 [0,2,0,0,0,0|1,0,1]=4 6976 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](C)CO 2230a_100102634573_100000059175 [0,2,0,0,0,0|1,0,1]=4 6977 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](C)CO 34a_100102634573_100000059175 [0,2,0,0,0,0|1,0,1]=4 6978 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](F)CO 270004a_100015665980_100011218180 [0,2,0,0,0,0|1,0,1]=4 6979 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CF 2230a_100102634573_100015614560 [0,2,0,0,0,0|1,0,1]=4 6980 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CF 34a_100102634573_100015614560 [0,2,0,0,0,0|1,0,1]=4 6981 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CO 2230a_100102634573_100009815848 [0,2,0,0,0,0|1,0,1]=4 6982 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CO 34a_100102634573_100009815848 [0,2,0,0,0,0|1,0,1]=4 6983 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)Br 270004a_100020588543_100000691760 [0,2,0,0,0,0|1,0,1]=4 6984 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)C 270004a_100020588543_100000751045 [0,2,0,0,0,0|1,0,1]=4 6985 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)Cl 270004a_100020588543_100000747806 [0,2,0,0,0,0|1,0,1]=4 6986 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)F 270004a_100020588543_100000745281 [0,2,0,0,0,0|1,0,1]=4 6987 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000748023 [0,2,0,0,0,0|1,0,1]=4 6988 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 270004a_100020588543_100011218180 [0,2,0,0,0,0|1,0,1]=4 6989 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 270004a_100102634573_100000243153 [0,2,0,0,0,0|1,0,1]=4 6990 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100000748023 [0,2,0,0,0,0|1,0,1]=4 6991 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)Br 270004a_100011218483_100000691760 [0,2,0,0,0,0|1,0,1]=4 6992 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)C 270004a_100011218483_100000751045 [0,2,0,0,0,0|1,0,1]=4 6993 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)Cl 270004a_100011218483_100000747806 [0,2,0,0,0,0|1,0,1]=4 6994 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)F 270004a_100011218483_100000745281 [0,2,0,0,0,0|1,0,1]=4 6995 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011218378 [0,2,0,0,0,0|1,0,1]=4 6996 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)O 270004a_100011218483_100011218180 [0,2,0,0,0,0|1,0,1]=4 6997 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100011218378 [0,2,0,0,0,0|1,0,1]=4 6998 B16R1.1147 CC[C@H](C)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100009816398 [0,2,0,0,0,0|1,0,1]=4 6999 B16R1.1147 CC[C@H](C)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100009816398 [0,2,0,0,0,0|1,0,1]=4 7000 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)Br 270004a_100020591295_100000691760 [0,2,0,0,0,0|2,0,0]=4 7001 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)C 270004a_100020591295_100000751045 [0,2,0,0,0,0|2,0,0]=4 7002 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)Cl 270004a_100020591295_100000747806 [0,2,0,0,0,0|2,0,0]=4 7003 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)F 270004a_100020591295_100000745281 [0,2,0,0,0,0|2,0,0]=4 7004 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)O 270004a_100020591295_100011218180 [0,2,0,0,0,0|2,0,0]=4 7005 B16R1.1147 Cc1ccc(cc1)CC(C)NC[C@@H](F)CO 270004a_100015665980_100000751045 [0,2,0,0,0,0|1,0,1]=4 7006 B16R1.1230 C#CCCNC(C#N)Cc1ccc(cc1)C 34a_100000755551_100000697087 [0,2,0,0,0,0|1,0,1]=4 7007 B16R1.1230 C#CCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000688953 [0,2,0,0,0,0|1,0,0]=3 7008 B16R1.1230 C#CCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000688953 [0,2,0,0,0,0|1,0,0]=3 7009 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000688953 [0,2,0,0,0,0|1,0,0]=3 7010 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000688953 [0,2,0,0,0,0|1,0,0]=3 7011 B16R1.1230 C=CCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000754431 [0,2,0,0,0,0|1,0,1]=4 7012 B16R1.1230 C=CCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000754431 [0,2,0,0,0,0|1,0,1]=4 7013 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000754431 [0,2,0,0,0,0|1,0,1]=4 7014 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000754431 [0,2,0,0,0,0|1,0,1]=4 7015 B16R1.1230 CC#CCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000748600 [0,2,0,0,0,0|1,0,1]=4 7016 B16R1.1230 CC#CCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000748600 [0,2,0,0,0,0|1,0,1]=4 7017 B16R1.1230 CC#CCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000748600 [0,2,0,0,0,0|1,0,1]=4 7018 B16R1.1230 CC#CCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000748600 [0,2,0,0,0,0|1,0,1]=4 7019 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000210211 [0,2,0,0,0,0|1,0,1]=4 7020 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000210210 [0,2,0,0,0,0|1,0,1]=4 7021 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000210211 [0,2,0,0,0,0|1,0,1]=4 7022 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000210210 [0,2,0,0,0,0|1,0,1]=4 7023 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)Br 2230a_100000187385_100000687738 [0,2,0,0,0,0|2,0,0]=4 7024 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)Br 269982a_100000187385_100000687738 [0,2,0,0,0,0|2,0,0]=4 7025 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)C 2230a_100000180869_100000687738 [0,2,0,0,0,0|2,0,0]=4 7026 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)C 269982a_100000180869_100000687738 [0,2,0,0,0,0|2,0,0]=4 7027 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)Cl 2230a_100000180830_100000687738 [0,2,0,0,0,0|2,0,0]=4 7028 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)Cl 269982a_100000180830_100000687738 [0,2,0,0,0,0|2,0,0]=4 7029 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)F 2230a_100015183324_100000687738 [0,2,0,0,0,0|2,0,0]=4 7030 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)F 269982a_100015183324_100000687738 [0,2,0,0,0,0|2,0,0]=4 7031 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)O 269982a_100000748449_100000687738 [0,2,0,0,0,0|2,0,0]=4 7032 B16R1.1230 COCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100011201679 [0,2,0,0,0,0|2,0,0]=4 7033 B16R1.1230 COCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100011201679 [0,2,0,0,0,0|2,0,0]=4 7034 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100011201679 [0,2,0,0,0,0|2,0,0]=4 7035 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100011201679 [0,2,0,0,0,0|2,0,0]=4 7036 B16R1.1230 CSCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000751147 [0,2,0,0,0,0|2,0,0]=4 7037 B16R1.1230 CSCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000212216 [0,2,0,0,0,0|2,0,0]=4 7038 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000751147 [0,2,0,0,0,0|2,0,0]=4 7039 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000212216 [0,2,0,0,0,0|2,0,0]=4 7040 B16R1.1230 Cc1ccc(cc1)CC(C#N)SCCC#N 62a_100000697087_100011215226 [0,2,0,0,0,0|1,0,1]=4 7041 B16R1.1230 Cc1ccc(cc1)CC(C#N)SCCC#N 62a_100011215226_100000697087 [0,2,0,0,0,0|1,0,1]=4 7042 B16R1.1230 N#CCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100011215226 [0,2,0,0,0,0|0,0,0]=2 7043 B16R1.1230 N#CCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100011215226 [0,2,0,0,0,0|0,0,0]=2 7044 B16R1.1230 OCC(Cc1ccc(cc1)Cl)NCCCF 2230a_100025702442_100011934791 [0,2,0,0,0,0|1,0,1]=4 7045 B16R1.1230 OCC(Cc1ccc(cc1)Cl)NCCCF 34a_100025702442_100011934791 [0,2,0,0,0,0|1,0,1]=4 7046 B16R1.1230 OCCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000230001 [0,2,0,0,0,0|1,0,1]=4 7047 B16R1.1230 OCCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000230001 [0,2,0,0,0,0|1,0,1]=4 7048 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000230001 [0,2,0,0,0,0|1,0,1]=4 7049 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000230001 [0,2,0,0,0,0|1,0,1]=4 7050 B16R1.1230 OC[C@@H](Cc1ccc(cc1)O)NCCCF 2230a_100020629837_100011934791 [0,2,0,0,0,0|1,0,1]=4 7051 B16R1.1230 OC[C@@H](Cc1ccc(cc1)O)NCCCF 34a_100020629837_100011934791 [0,2,0,0,0,0|1,0,1]=4 7052 B16R1.7382 C#Cc1ccc(cc1)CC(=O)NCCC#N 11a_100000720768_200009884166 [0,2,0,0,0,0|1,0,1]=4 7053 B16R1.7382 C#Cc1ccc(cc1)CC(=O)NCCC#N 1626a_100000720768_200009884166 [0,2,0,0,0,0|1,0,1]=4 7054 B16R1.7382 C#Cc1ccc(cc1)CC(=O)NCCC#N 240690a_100000720768_200009884166 [0,2,0,0,0,0|1,0,1]=4 7055 B16R1.7382 C#Cc1ccc(cc1)CC(=O)NCCC#N 527a_100000720768_200009884166 [0,2,0,0,0,0|1,0,1]=4 7056 B16R1.7382 C=CCCNC(C)Cc1ccc(cc1)C#N 270004a_100015191253_200011996569 [0,2,0,0,0,0|1,0,1]=4 7057 B16R1.7382 C=CCCNC(C)Cc1ccc(cc1)OC 270004a_100015191253_100000211147 [0,2,0,0,0,0|1,0,1]=4 7058 B16R1.7382 CC(Cc1ccc(cc1)C#N)NCCC#N 270004a_100000720768_200011996569 [0,2,0,0,0,0|0,0,0]=2 7059 B16R1.7382 CC(Cc1ccc(cc1)C#N)NCCCF 270004a_100015189416_200011996569 [0,2,0,0,0,0|1,0,1]=4 7060 B16R1.7382 CC(Cc1ccc(cc1)C#N)NCCCO 270004a_100000182051_200011996569 [0,2,0,0,0,0|1,0,1]=4 7061 B16R1.7382 CCCCNC(C)Cc1ccc(cc1)C#N 270004a_100000102301_200011996569 [0,2,0,0,0,0|1,0,1]=4 7062 B16R1.7382 CCCCNC(C)Cc1ccc(cc1)OC 270004a_100000102301_100000211147 [0,2,0,0,0,0|1,0,1]=4 7063 B16R1.7382 CCc1ccc(cc1)CC(=O)NCCC#N 11a_100000720768_200000759805 [0,2,0,0,0,0|1,0,1]=4 7064 B16R1.7382 CCc1ccc(cc1)CC(=O)NCCC#N 1626a_100000720768_200000759805 [0,2,0,0,0,0|1,0,1]=4 7065 B16R1.7382 CCc1ccc(cc1)CC(=O)NCCC#N 240690a_100000720768_200000759805 [0,2,0,0,0,0|1,0,1]=4 7066 B16R1.7382 CCc1ccc(cc1)CC(=O)NCCC#N 527a_100000720768_200000759805 [0,2,0,0,0,0|1,0,1]=4 7067 B16R1.7382 CCc1ccc(cc1)CN(C)CCCC#N 2230a_100000683253_100000687738 [0,2,0,0,0,0|2,0,0]=4 7068 B16R1.7382 CCc1ccc(cc1)CN(C)CCCC#N 269982a_100000683253_100000687738 [0,2,0,0,0,0|2,0,0]=4 7069 B16R1.7382 CN(CCCC#N)Cc1ccc(cc1)C#N 2230a_100000217971_100000687738 [0,2,0,0,0,0|2,0,0]=4 7070 B16R1.7382 CN(CCCC#N)Cc1ccc(cc1)C#N 269982a_100000217971_100000687738 [0,2,0,0,0,0|2,0,0]=4 7071 B16R1.7382 COCCNC(C)Cc1ccc(cc1)C#N 270004a_100000209980_200011996569 [0,2,0,0,0,0|2,0,0]=4 7072 B16R1.7382 COCCNC(C)Cc1ccc(cc1)OC 270004a_100000209980_100000211147 [0,2,0,0,0,0|2,0,0]=4 7073 B16R1.7382 COc1ccc(cc1)CC(=O)NCCC#N 11a_100000720768_100000210706 [0,2,0,0,0,0|1,0,1]=4 7074 B16R1.7382 COc1ccc(cc1)CC(=O)NCCC#N 240690a_100000720768_100000210706 [0,2,0,0,0,0|1,0,1]=4 7075 B16R1.7382 COc1ccc(cc1)CC(=O)NCCC#N 527a_100000720768_100000210706 [0,2,0,0,0,0|1,0,1]=4 7076 B16R1.7382 COc1ccc(cc1)CC(C)NCCC#N 270004a_100000720768_100000211147 [0,2,0,0,0,0|0,0,0]=2 7077 B16R1.7382 COc1ccc(cc1)CC(C)NCCCF 270004a_100015189416_100000211147 [0,2,0,0,0,0|1,0,1]=4 7078 B16R1.7382 COc1ccc(cc1)CC(C)NCCCO 270004a_100000182051_100000211147 [0,2,0,0,0,0|1,0,1]=4 7079 B16R1.7382 COc1ccc(cc1)CC(C)NCCSC 270004a_100020590264_100000211147 [0,2,0,0,0,0|2,0,0]=4 7080 B16R1.7382 COc1ccc(cc1)CN(C)CCCC#N 2230a_100000184145_100000687738 [0,2,0,0,0,0|2,0,0]=4 7081 B16R1.7382 COc1ccc(cc1)CN(C)CCCC#N 269982a_100000184145_100000687738 [0,2,0,0,0,0|2,0,0]=4 7082 B16R1.7382 CSCCNC(C)Cc1ccc(cc1)C#N 270004a_100020590264_200011996569 [0,2,0,0,0,0|2,0,0]=4 7083 B16R1.7382 CSc1ccc(cc1)CC(=O)NCCC#N 11a_100000720768_100000756958 [0,2,0,0,0,0|1,0,1]=4 7084 B16R1.7382 CSc1ccc(cc1)CC(=O)NCCC#N 1626a_100000720768_100000756958 [0,2,0,0,0,0|1,0,1]=4 7085 B16R1.7382 CSc1ccc(cc1)CC(=O)NCCC#N 240690a_100000720768_100000756958 [0,2,0,0,0,0|1,0,1]=4 7086 B16R1.7382 CSc1ccc(cc1)CC(=O)NCCC#N 527a_100000720768_100000756958 [0,2,0,0,0,0|1,0,1]=4 7087 B16R1.7382 CSc1ccc(cc1)CN(C)CCCC#N 2230a_102495365258_100000687738 [0,2,0,0,0,0|2,0,0]=4 7088 B16R1.7382 CSc1ccc(cc1)CN(C)CCCC#N 269982a_102495365258_100000687738 [0,2,0,0,0,0|2,0,0]=4 7089 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N 11a_100000720768_100000748677 [0,2,0,0,0,0|1,0,1]=4 7090 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N 1626a_100000720768_100000748677 [0,2,0,0,0,0|1,0,1]=4 7091 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N 240690a_100000720768_100000748677 [0,2,0,0,0,0|1,0,1]=4 7092 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N 527a_100000720768_100000748677 [0,2,0,0,0,0|1,0,1]=4 7093 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)CO 240690a_100000720768_100011356463 [0,2,0,0,0,0|1,0,1]=4 7094 B16R1.7393 C=CCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100015191253_100011586667 [0,2,0,0,0,0|1,0,1]=4 7095 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCC#N 270004a_100000720768_100011586667 [0,2,0,0,0,0|0,0,0]=2 7096 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCCF 270004a_100015189416_100011586667 [0,2,0,0,0,0|1,0,1]=4 7097 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCCO 270004a_100000182051_100011586667 [0,2,0,0,0,0|1,0,1]=4 7098 B16R1.7393 CCCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100000102301_100011586667 [0,2,0,0,0,0|1,0,1]=4 7099 B16R1.7393 CN(CCCC#N)Cc1ccc(c(c1)Cl)Cl 2230a_100000184578_100000687738 [0,2,0,0,0,0|2,0,0]=4 7100 B16R1.7393 CN(CCCC#N)Cc1ccc(c(c1)Cl)Cl 269982a_100000184578_100000687738 [0,2,0,0,0,0|2,0,0]=4 7101 B16R1.7393 COCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100000209980_100011586667 [0,2,0,0,0,0|2,0,0]=4 7102 B16R1.7393 CSCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100020590264_100011586667 [0,2,0,0,0,0|2,0,0]=4 7103 B16R1.7393 Cc1cc(ccc1Br)CC(=O)NCCC#N 11a_100000720768_100012340274 [0,2,0,0,0,0|1,0,1]=4 7104 B16R1.7393 Cc1cc(ccc1Br)CC(=O)NCCC#N 240690a_100000720768_100012340274 [0,2,0,0,0,0|1,0,1]=4 7105 B16R1.7393 Cc1cc(ccc1Br)CC(=O)NCCC#N 527a_100000720768_100012340274 [0,2,0,0,0,0|1,0,1]=4 7106 B16R1.7393 Cc1cc(ccc1F)CC(=O)NCCC#N 11a_100000720768_100011667458 [0,2,0,0,0,0|1,0,1]=4 7107 B16R1.7393 Cc1cc(ccc1F)CC(=O)NCCC#N 240690a_100000720768_100011667458 [0,2,0,0,0,0|1,0,1]=4 7108 B16R1.7393 Cc1cc(ccc1F)CC(=O)NCCC#N 527a_100000720768_100011667458 [0,2,0,0,0,0|1,0,1]=4 7109 B16R1.7393 Cc1cc(ccc1O)CC(=O)NCCC#N 240690a_100000720768_100000083968 [0,2,0,0,0,0|1,0,1]=4 7110 B16R1.7393 Cc1cc(ccc1O)CC(=O)NCCC#N 527a_100000720768_100000083968 [0,2,0,0,0,0|1,0,1]=4 7111 B16R1.7393 Cc1ccc(cc1Br)CC(=O)NCCC#N 11a_100000720768_100000709925 [0,2,0,0,0,0|1,0,1]=4 7112 B16R1.7393 Cc1ccc(cc1Br)CC(=O)NCCC#N 240690a_100000720768_100000709925 [0,2,0,0,0,0|1,0,1]=4 7113 B16R1.7393 Cc1ccc(cc1Br)CC(=O)NCCC#N 527a_100000720768_100000709925 [0,2,0,0,0,0|1,0,1]=4 7114 B16R1.7393 Cc1ccc(cc1C)CC(=O)NCCC#N 11a_100000720768_100000184070 [0,2,0,0,0,0|1,0,1]=4 7115 B16R1.7393 Cc1ccc(cc1C)CC(=O)NCCC#N 240690a_100000720768_100000184070 [0,2,0,0,0,0|1,0,1]=4 7116 B16R1.7393 Cc1ccc(cc1C)CC(=O)NCCC#N 527a_100000720768_100000184070 [0,2,0,0,0,0|1,0,1]=4 7117 B16R1.7393 Cc1ccc(cc1C)CN(C)CCCC#N 2230a_100015204808_100000687738 [0,2,0,0,0,0|2,0,0]=4 7118 B16R1.7393 Cc1ccc(cc1C)CN(C)CCCC#N 269982a_100015204808_100000687738 [0,2,0,0,0,0|2,0,0]=4 7119 B16R1.7393 Cc1ccc(cc1F)CC(=O)NCCC#N 11a_100000720768_100011217375 [0,2,0,0,0,0|1,0,1]=4 7120 B16R1.7393 Cc1ccc(cc1F)CC(=O)NCCC#N 240690a_100000720768_100011217375 [0,2,0,0,0,0|1,0,1]=4 7121 B16R1.7393 Cc1ccc(cc1F)CC(=O)NCCC#N 527a_100000720768_100011217375 [0,2,0,0,0,0|1,0,1]=4 7122 B16R1.7393 Cc1ccc(cc1O)CC(=O)NCCC#N 11a_100000720768_100000082272 [0,2,0,0,0,0|1,0,1]=4 7123 B16R1.7393 Cc1ccc(cc1O)CC(=O)NCCC#N 240690a_100000720768_100000082272 [0,2,0,0,0,0|1,0,1]=4 7124 B16R1.7393 Cc1ccc(cc1O)CC(=O)NCCC#N 527a_100000720768_100000082272 [0,2,0,0,0,0|1,0,1]=4 7125 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)Cl 11a_100000720768_100012349508 [0,2,0,0,0,0|1,0,1]=4 7126 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)Cl 240690a_100000720768_100012349508 [0,2,0,0,0,0|1,0,1]=4 7127 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)Cl 527a_100000720768_100012349508 [0,2,0,0,0,0|1,0,1]=4 7128 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)F 11a_100000720768_100000742997 [0,2,0,0,0,0|1,0,1]=4 7129 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)F 240690a_100000720768_100000742997 [0,2,0,0,0,0|1,0,1]=4 7130 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)F 527a_100000720768_100000742997 [0,2,0,0,0,0|1,0,1]=4 7131 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)O 240690a_100000720768_100009990404 [0,2,0,0,0,0|1,0,1]=4 7132 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)O 527a_100000720768_100009990404 [0,2,0,0,0,0|1,0,1]=4 7133 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Br 11a_100000720768_100000766880 [0,2,0,0,0,0|1,0,1]=4 7134 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Br 240690a_100000720768_100000766880 [0,2,0,0,0,0|1,0,1]=4 7135 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Br 527a_100000720768_100000766880 [0,2,0,0,0,0|1,0,1]=4 7136 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Cl 11a_100000720768_100000210702 [0,2,0,0,0,0|1,0,1]=4 7137 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Cl 240690a_100000720768_100000210702 [0,2,0,0,0,0|1,0,1]=4 7138 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Cl 527a_100000720768_100000210702 [0,2,0,0,0,0|1,0,1]=4 7139 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)F 11a_100000720768_100011217296 [0,2,0,0,0,0|1,0,1]=4 7140 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)F 1626a_100000720768_100011217296 [0,2,0,0,0,0|1,0,1]=4 7141 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)F 240690a_100000720768_100011217296 [0,2,0,0,0,0|1,0,1]=4 7142 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)F 527a_100000720768_100011217296 [0,2,0,0,0,0|1,0,1]=4 7143 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100000720768_100000035197 [0,2,0,0,0,0|1,0,1]=4 7144 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)O 527a_100000720768_100000035197 [0,2,0,0,0,0|1,0,1]=4 7145 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Br 11a_100000720768_100000691132 [0,2,0,0,0,0|1,0,1]=4 7146 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Br 240690a_100000720768_100000691132 [0,2,0,0,0,0|1,0,1]=4 7147 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Br 527a_100000720768_100000691132 [0,2,0,0,0,0|1,0,1]=4 7148 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Cl 11a_100000720768_100000722404 [0,2,0,0,0,0|1,0,1]=4 7149 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Cl 240690a_100000720768_100000722404 [0,2,0,0,0,0|1,0,1]=4 7150 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Cl 527a_100000720768_100000722404 [0,2,0,0,0,0|1,0,1]=4 7151 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)F 11a_100000720768_100000684721 [0,2,0,0,0,0|1,0,1]=4 7152 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)F 1626a_100000720768_100000684721 [0,2,0,0,0,0|1,0,1]=4 7153 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)F 240690a_100000720768_100000684721 [0,2,0,0,0,0|1,0,1]=4 7154 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)F 527a_100000720768_100000684721 [0,2,0,0,0,0|1,0,1]=4 7155 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)I 11a_100000720768_100010149632 [0,2,0,0,0,0|1,0,1]=4 7156 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)I 1626a_100000720768_100010149632 [0,2,0,0,0,0|1,0,1]=4 7157 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)I 240690a_100000720768_100010149632 [0,2,0,0,0,0|1,0,1]=4 7158 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)I 527a_100000720768_100010149632 [0,2,0,0,0,0|1,0,1]=4 7159 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)O 240690a_100000720768_100000039761 [0,2,0,0,0,0|1,0,1]=4 7160 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)O 527a_100000720768_100000039761 [0,2,0,0,0,0|1,0,1]=4 7161 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)O)O 527a_100000720768_100000031429 [0,2,0,0,0,0|1,0,1]=4 7162 B16R1.20522 C#CCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000688953 [0,2,0,0,0,0|1,0,0]=3 7163 B16R1.20522 C#CCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000688953 [0,2,0,0,0,0|1,0,0]=3 7164 B16R1.20522 C#CCCOC(C)(C)Cc1ccc(cc1)C 7a_200011350412_100000688953 [0,2,0,0,0,0|2,0,0]=4 7165 B16R1.20522 C#CCCOC(C)(C)Cc1ccc(cc1)Cl 34a_200011350411_100000688953 [0,2,0,0,0,0|2,0,0]=4 7166 B16R1.20522 C#CCCOC(C)(C)Cc1ccc(cc1)Cl 7a_200011350411_100000688953 [0,2,0,0,0,0|2,0,0]=4 7167 B16R1.20522 C#CCCOC(C)(C)Cc1ccc(cc1)F 34a_200011350416_100000688953 [0,2,0,0,0,0|2,0,0]=4 7168 B16R1.20522 C#CCCOC(C)(C)Cc1ccc(cc1)F 7a_200011350416_100000688953 [0,2,0,0,0,0|2,0,0]=4 7169 B16R1.20522 C=CCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000754431 [0,2,0,0,0,0|1,0,1]=4 7170 B16R1.20522 C=CCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000754431 [0,2,0,0,0,0|1,0,1]=4 7171 B16R1.20522 CC#CCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000748600 [0,2,0,0,0,0|1,0,1]=4 7172 B16R1.20522 CC#CCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000748600 [0,2,0,0,0,0|1,0,1]=4 7173 B16R1.20522 CC(C)(Cc1ccc(cc1)Cl)OCCC#N 7a_200011350411_100000184422 [0,2,0,0,0,0|1,0,0]=3 7174 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCC#N 2230a_100015243227_100011215226 [0,2,0,0,0,0|0,0,0]=2 7175 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCF 2230a_100015243227_100011934791 [0,2,0,0,0,0|1,0,1]=4 7176 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCF 34a_100015243227_100011934791 [0,2,0,0,0,0|1,0,1]=4 7177 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCO 2230a_100015243227_100000230001 [0,2,0,0,0,0|1,0,1]=4 7178 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCO 34a_100015243227_100000230001 [0,2,0,0,0,0|1,0,1]=4 7179 B16R1.20522 CC(C)(Cc1ccc(cc1)F)OCCC#N 7a_200011350416_100000184422 [0,2,0,0,0,0|1,0,0]=3 7180 B16R1.20522 CCCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000210211 [0,2,0,0,0,0|1,0,1]=4 7181 B16R1.20522 CCCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000210210 [0,2,0,0,0,0|1,0,1]=4 7182 B16R1.20522 COCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100011201679 [0,2,0,0,0,0|2,0,0]=4 7183 B16R1.20522 COCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100011201679 [0,2,0,0,0,0|2,0,0]=4 7184 B16R1.20522 CSCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000751147 [0,2,0,0,0,0|2,0,0]=4 7185 B16R1.20522 CSCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000212216 [0,2,0,0,0,0|2,0,0]=4 7186 B16R1.20522 Cc1ccc(cc1)CC(C)(C)OCCC#N 7a_200011350412_100000184422 [0,2,0,0,0,0|1,0,0]=3 7187 B16R1.20522 Cc1ccc(cc1)CS(=O)(=O)NCCC#N 274078a_100000720768_100000689310 [0,2,0,0,0,0|2,0,0]=4 7188 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)Br 274078a_100000720768_100000764255 [0,2,0,0,0,0|2,0,0]=4 7189 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)Cl 274078a_100000720768_100011198069 [0,2,0,0,0,0|2,0,0]=4 7190 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)F 274078a_100000720768_100000735682 [0,2,0,0,0,0|2,0,0]=4 7191 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100015191253_200010078464 [0,2,0,0,0,0|1,0,1]=4 7192 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1C)C 270004a_100015191253_200000075425 [0,2,0,0,0,0|1,0,1]=4 7193 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100015191253_200011350722 [0,2,0,0,0,0|1,0,1]=4 7194 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1Cl)O 270004a_100015191253_200000084595 [0,2,0,0,0,0|1,0,1]=4 7195 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1F)F 270004a_100015191253_100011622162 [0,2,0,0,0,0|1,0,1]=4 7196 B16R1.22955 CC(Cc1ccc(cc1Br)Cl)NCCC#N 270004a_100000720768_200010078464 [0,2,0,0,0,0|0,0,0]=2 7197 B16R1.22955 CC(Cc1ccc(cc1Br)Cl)NCCCF 270004a_100015189416_200010078464 [0,2,0,0,0,0|1,0,1]=4 7198 B16R1.22955 CC(Cc1ccc(cc1Br)Cl)NCCCO 270004a_100000182051_200010078464 [0,2,0,0,0,0|1,0,1]=4 7199 B16R1.22955 CC(Cc1ccc(cc1Cl)Cl)NCCC#N 270004a_100000720768_200011350722 [0,2,0,0,0,0|0,0,0]=2 7200 B16R1.22955 CC(Cc1ccc(cc1Cl)Cl)NCCCF 270004a_100015189416_200011350722 [0,2,0,0,0,0|1,0,1]=4 7201 B16R1.22955 CC(Cc1ccc(cc1Cl)Cl)NCCCO 270004a_100000182051_200011350722 [0,2,0,0,0,0|1,0,1]=4 7202 B16R1.22955 CC(Cc1ccc(cc1Cl)O)NCCC#N 270004a_100000720768_200000084595 [0,2,0,0,0,0|0,0,0]=2 7203 B16R1.22955 CC(Cc1ccc(cc1Cl)O)NCCCF 270004a_100015189416_200000084595 [0,2,0,0,0,0|1,0,1]=4 7204 B16R1.22955 CC(Cc1ccc(cc1Cl)O)NCCCO 270004a_100000182051_200000084595 [0,2,0,0,0,0|1,0,1]=4 7205 B16R1.22955 CC(Cc1ccc(cc1F)F)NCCC#N 270004a_100000720768_100011622162 [0,2,0,0,0,0|0,0,0]=2 7206 B16R1.22955 CC(Cc1ccc(cc1F)F)NCCCF 270004a_100015189416_100011622162 [0,2,0,0,0,0|1,0,1]=4 7207 B16R1.22955 CC(Cc1ccc(cc1F)F)NCCCO 270004a_100000182051_100011622162 [0,2,0,0,0,0|1,0,1]=4 7208 B16R1.22955 CCCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100000102301_200010078464 [0,2,0,0,0,0|1,0,1]=4 7209 B16R1.22955 CCCCNC(C)Cc1ccc(cc1C)C 270004a_100000102301_200000075425 [0,2,0,0,0,0|1,0,1]=4 7210 B16R1.22955 CCCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100000102301_200011350722 [0,2,0,0,0,0|1,0,1]=4 7211 B16R1.22955 CCCCNC(C)Cc1ccc(cc1Cl)O 270004a_100000102301_200000084595 [0,2,0,0,0,0|1,0,1]=4 7212 B16R1.22955 CCCCNC(C)Cc1ccc(cc1F)F 270004a_100000102301_100011622162 [0,2,0,0,0,0|1,0,1]=4 7213 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Br)F 2230a_200011192132_100000687738 [0,2,0,0,0,0|2,0,0]=4 7214 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Br)F 269982a_200011192132_100000687738 [0,2,0,0,0,0|2,0,0]=4 7215 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Cl)Cl 2230a_100015189987_100000687738 [0,2,0,0,0,0|2,0,0]=4 7216 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Cl)Cl 269982a_100015189987_100000687738 [0,2,0,0,0,0|2,0,0]=4 7217 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1F)F 2230a_100000207661_100000687738 [0,2,0,0,0,0|2,0,0]=4 7218 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1F)F 269982a_100000207661_100000687738 [0,2,0,0,0,0|2,0,0]=4 7219 B16R1.22955 COCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100000209980_200010078464 [0,2,0,0,0,0|2,0,0]=4 7220 B16R1.22955 COCCNC(C)Cc1ccc(cc1C)C 270004a_100000209980_200000075425 [0,2,0,0,0,0|2,0,0]=4 7221 B16R1.22955 COCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100000209980_200011350722 [0,2,0,0,0,0|2,0,0]=4 7222 B16R1.22955 COCCNC(C)Cc1ccc(cc1Cl)O 270004a_100000209980_200000084595 [0,2,0,0,0,0|2,0,0]=4 7223 B16R1.22955 COCCNC(C)Cc1ccc(cc1F)F 270004a_100000209980_100011622162 [0,2,0,0,0,0|2,0,0]=4 7224 B16R1.22955 CSCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100020590264_200010078464 [0,2,0,0,0,0|2,0,0]=4 7225 B16R1.22955 CSCCNC(C)Cc1ccc(cc1C)C 270004a_100020590264_200000075425 [0,2,0,0,0,0|2,0,0]=4 7226 B16R1.22955 CSCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100020590264_200011350722 [0,2,0,0,0,0|2,0,0]=4 7227 B16R1.22955 CSCCNC(C)Cc1ccc(cc1Cl)O 270004a_100020590264_200000084595 [0,2,0,0,0,0|2,0,0]=4 7228 B16R1.22955 CSCCNC(C)Cc1ccc(cc1F)F 270004a_100020590264_100011622162 [0,2,0,0,0,0|2,0,0]=4 7229 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Br 11a_100000720768_100000697930 [0,2,0,0,0,0|1,0,1]=4 7230 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Br 1626a_100000720768_100000697930 [0,2,0,0,0,0|1,0,1]=4 7231 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Br 240690a_100000720768_100000697930 [0,2,0,0,0,0|1,0,1]=4 7232 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Br 527a_100000720768_100000697930 [0,2,0,0,0,0|1,0,1]=4 7233 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)F 11a_100000720768_100011667441 [0,2,0,0,0,0|1,0,1]=4 7234 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)F 1626a_100000720768_100011667441 [0,2,0,0,0,0|1,0,1]=4 7235 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)F 240690a_100000720768_100011667441 [0,2,0,0,0,0|1,0,1]=4 7236 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)F 527a_100000720768_100011667441 [0,2,0,0,0,0|1,0,1]=4 7237 B16R1.22955 Cc1ccc(c(c1)C)CC(=O)NCCC#N 11a_100000720768_100011236500 [0,2,0,0,0,0|1,0,1]=4 7238 B16R1.22955 Cc1ccc(c(c1)C)CC(=O)NCCC#N 1626a_100000720768_100011236500 [0,2,0,0,0,0|1,0,1]=4 7239 B16R1.22955 Cc1ccc(c(c1)C)CC(=O)NCCC#N 240690a_100000720768_100011236500 [0,2,0,0,0,0|1,0,1]=4 7240 B16R1.22955 Cc1ccc(c(c1)C)CC(=O)NCCC#N 527a_100000720768_100011236500 [0,2,0,0,0,0|1,0,1]=4 7241 B16R1.22955 Cc1ccc(c(c1)C)CC(C)NCCC#N 270004a_100000720768_200000075425 [0,2,0,0,0,0|0,0,0]=2 7242 B16R1.22955 Cc1ccc(c(c1)C)CC(C)NCCCF 270004a_100015189416_200000075425 [0,2,0,0,0,0|1,0,1]=4 7243 B16R1.22955 Cc1ccc(c(c1)C)CC(C)NCCCO 270004a_100000182051_200000075425 [0,2,0,0,0,0|1,0,1]=4 7244 B16R1.22955 Cc1ccc(c(c1)C)CN(C)CCCC#N 2230a_100025771030_100000687738 [0,2,0,0,0,0|2,0,0]=4 7245 B16R1.22955 Cc1ccc(c(c1)C)CN(C)CCCC#N 269982a_100025771030_100000687738 [0,2,0,0,0,0|2,0,0]=4 7246 B16R1.22955 Cc1ccc(c(c1)F)CC(=O)NCCC#N 11a_100000720768_100000042674 [0,2,0,0,0,0|1,0,1]=4 7247 B16R1.22955 Cc1ccc(c(c1)F)CC(=O)NCCC#N 1626a_100000720768_100000042674 [0,2,0,0,0,0|1,0,1]=4 7248 B16R1.22955 Cc1ccc(c(c1)F)CC(=O)NCCC#N 240690a_100000720768_100000042674 [0,2,0,0,0,0|1,0,1]=4 7249 B16R1.22955 Cc1ccc(c(c1)F)CC(=O)NCCC#N 527a_100000720768_100000042674 [0,2,0,0,0,0|1,0,1]=4 7250 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Br 11a_100000720768_100010172832 [0,2,0,0,0,0|1,0,1]=4 7251 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Br 240690a_100000720768_100010172832 [0,2,0,0,0,0|1,0,1]=4 7252 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Br 527a_100000720768_100010172832 [0,2,0,0,0,0|1,0,1]=4 7253 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Cl 11a_100000720768_100000755479 [0,2,0,0,0,0|1,0,1]=4 7254 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Cl 1626a_100000720768_100000755479 [0,2,0,0,0,0|1,0,1]=4 7255 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Cl 240690a_100000720768_100000755479 [0,2,0,0,0,0|1,0,1]=4 7256 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Cl 527a_100000720768_100000755479 [0,2,0,0,0,0|1,0,1]=4 7257 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F 11a_100000720768_100000708238 [0,2,0,0,0,0|1,0,1]=4 7258 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F 1626a_100000720768_100000708238 [0,2,0,0,0,0|1,0,1]=4 7259 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F 240690a_100000720768_100000708238 [0,2,0,0,0,0|1,0,1]=4 7260 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F 527a_100000720768_100000708238 [0,2,0,0,0,0|1,0,1]=4 7261 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)O 240690a_100000720768_100010176083 [0,2,0,0,0,0|1,0,1]=4 7262 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)O 527a_100000720768_100010176083 [0,2,0,0,0,0|1,0,1]=4 7263 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br 11a_100000720768_100012361378 [0,2,0,0,0,0|1,0,1]=4 7264 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br 1626a_100000720768_100012361378 [0,2,0,0,0,0|1,0,1]=4 7265 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br 240690a_100000720768_100012361378 [0,2,0,0,0,0|1,0,1]=4 7266 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br 527a_100000720768_100012361378 [0,2,0,0,0,0|1,0,1]=4 7267 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Cl 11a_100000720768_100000210926 [0,2,0,0,0,0|1,0,1]=4 7268 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Cl 1626a_100000720768_100000210926 [0,2,0,0,0,0|1,0,1]=4 7269 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Cl 240690a_100000720768_100000210926 [0,2,0,0,0,0|1,0,1]=4 7270 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Cl 527a_100000720768_100000210926 [0,2,0,0,0,0|1,0,1]=4 7271 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)F 11a_100000720768_100000690284 [0,2,0,0,0,0|1,0,1]=4 7272 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)F 1626a_100000720768_100000690284 [0,2,0,0,0,0|1,0,1]=4 7273 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)F 240690a_100000720768_100000690284 [0,2,0,0,0,0|1,0,1]=4 7274 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)F 527a_100000720768_100000690284 [0,2,0,0,0,0|1,0,1]=4 7275 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br 11a_100000720768_100011295475 [0,2,0,0,0,0|1,0,1]=4 7276 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br 1626a_100000720768_100011295475 [0,2,0,0,0,0|1,0,1]=4 7277 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br 240690a_100000720768_100011295475 [0,2,0,0,0,0|1,0,1]=4 7278 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br 527a_100000720768_100011295475 [0,2,0,0,0,0|1,0,1]=4 7279 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Cl 11a_100000720768_100011830378 [0,2,0,0,0,0|1,0,1]=4 7280 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Cl 1626a_100000720768_100011830378 [0,2,0,0,0,0|1,0,1]=4 7281 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Cl 240690a_100000720768_100011830378 [0,2,0,0,0,0|1,0,1]=4 7282 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Cl 527a_100000720768_100011830378 [0,2,0,0,0,0|1,0,1]=4 7283 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)F 11a_100000720768_100000684719 [0,2,0,0,0,0|1,0,1]=4 7284 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)F 1626a_100000720768_100000684719 [0,2,0,0,0,0|1,0,1]=4 7285 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)F 240690a_100000720768_100000684719 [0,2,0,0,0,0|1,0,1]=4 7286 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)F 527a_100000720768_100000684719 [0,2,0,0,0,0|1,0,1]=4 7287 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)I 11a_100000720768_100010149628 [0,2,0,0,0,0|1,0,1]=4 7288 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)I 1626a_100000720768_100010149628 [0,2,0,0,0,0|1,0,1]=4 7289 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)I 240690a_100000720768_100010149628 [0,2,0,0,0,0|1,0,1]=4 7290 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)I 527a_100000720768_100010149628 [0,2,0,0,0,0|1,0,1]=4 7291 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)O 240690a_100000720768_100000090534 [0,2,0,0,0,0|1,0,1]=4 7292 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)O 527a_100000720768_100000090534 [0,2,0,0,0,0|1,0,1]=4 7293 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1O)Br 240690a_100000720768_100000707504 [0,2,0,0,0,0|1,0,1]=4 7294 B16R1.88 C=CCCNC(C)Cc1cccc(c1C)F 270004a_100015191253_200000084601 [0,2,0,0,0,0|1,0,1]=4 7295 B16R1.88 C=CCCNC(C)Cc1cccc(c1F)F 270004a_100015191253_200011710203 [0,2,0,0,0,0|1,0,1]=4 7296 B16R1.88 CC(Cc1cccc(c1F)F)NCCC#N 270004a_100000720768_200011710203 [0,2,0,0,0,0|0,0,0]=2 7297 B16R1.88 CC(Cc1cccc(c1F)F)NCCCF 270004a_100015189416_200011710203 [0,2,0,0,0,0|1,0,1]=4 7298 B16R1.88 CC(Cc1cccc(c1F)F)NCCCO 270004a_100000182051_200011710203 [0,2,0,0,0,0|1,0,1]=4 7299 B16R1.88 CCCCNC(C)Cc1cccc(c1C)F 270004a_100000102301_200000084601 [0,2,0,0,0,0|1,0,1]=4 7300 B16R1.88 CCCCNC(C)Cc1cccc(c1F)F 270004a_100000102301_200011710203 [0,2,0,0,0,0|1,0,1]=4 7301 B16R1.88 CN(CCCC#N)Cc1cccc(c1Cl)Cl 2230a_100000690605_100000687738 [0,2,0,0,0,0|2,0,0]=4 7302 B16R1.88 CN(CCCC#N)Cc1cccc(c1Cl)Cl 269982a_100000690605_100000687738 [0,2,0,0,0,0|2,0,0]=4 7303 B16R1.88 CN(CCCC#N)Cc1cccc(c1F)Br 2230a_114873767014_100000687738 [0,2,0,0,0,0|2,0,0]=4 7304 B16R1.88 CN(CCCC#N)Cc1cccc(c1F)Br 269982a_114873767014_100000687738 [0,2,0,0,0,0|2,0,0]=4 7305 B16R1.88 CN(CCCC#N)Cc1cccc(c1F)F 2230a_102515433064_100000687738 [0,2,0,0,0,0|2,0,0]=4 7306 B16R1.88 CN(CCCC#N)Cc1cccc(c1F)F 269982a_102515433064_100000687738 [0,2,0,0,0,0|2,0,0]=4 7307 B16R1.88 COCCNC(C)Cc1cccc(c1C)F 270004a_100000209980_200000084601 [0,2,0,0,0,0|2,0,0]=4 7308 B16R1.88 COCCNC(C)Cc1cccc(c1F)F 270004a_100000209980_200011710203 [0,2,0,0,0,0|2,0,0]=4 7309 B16R1.88 CSCCNC(C)Cc1cccc(c1C)F 270004a_100020590264_200000084601 [0,2,0,0,0,0|2,0,0]=4 7310 B16R1.88 CSCCNC(C)Cc1cccc(c1F)F 270004a_100020590264_200011710203 [0,2,0,0,0,0|2,0,0]=4 7311 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)F 11a_100000720768_100000035905 [0,2,0,0,0,0|1,0,1]=4 7312 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)F 1626a_100000720768_100000035905 [0,2,0,0,0,0|1,0,1]=4 7313 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)F 240690a_100000720768_100000035905 [0,2,0,0,0,0|1,0,1]=4 7314 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)F 527a_100000720768_100000035905 [0,2,0,0,0,0|1,0,1]=4 7315 B16R1.88 Cc1c(cccc1CC(C)NCCC#N)F 270004a_100000720768_200000084601 [0,2,0,0,0,0|0,0,0]=2 7316 B16R1.88 Cc1c(cccc1CC(C)NCCCF)F 270004a_100015189416_200000084601 [0,2,0,0,0,0|1,0,1]=4 7317 B16R1.88 Cc1c(cccc1CC(C)NCCCO)F 270004a_100000182051_200000084601 [0,2,0,0,0,0|1,0,1]=4 7318 B16R1.88 Cc1cccc(c1Br)CC(=O)NCCC#N 11a_100000720768_100010147021 [0,2,0,0,0,0|1,0,1]=4 7319 B16R1.88 Cc1cccc(c1Br)CC(=O)NCCC#N 1626a_100000720768_100010147021 [0,2,0,0,0,0|1,0,1]=4 7320 B16R1.88 Cc1cccc(c1Br)CC(=O)NCCC#N 240690a_100000720768_100010147021 [0,2,0,0,0,0|1,0,1]=4 7321 B16R1.88 Cc1cccc(c1Br)CC(=O)NCCC#N 527a_100000720768_100010147021 [0,2,0,0,0,0|1,0,1]=4 7322 B16R1.88 Cc1cccc(c1C)CC(=O)NCCC#N 11a_100000720768_100011698479 [0,2,0,0,0,0|1,0,1]=4 7323 B16R1.88 Cc1cccc(c1C)CC(=O)NCCC#N 1626a_100000720768_100011698479 [0,2,0,0,0,0|1,0,1]=4 7324 B16R1.88 Cc1cccc(c1C)CC(=O)NCCC#N 240690a_100000720768_100011698479 [0,2,0,0,0,0|1,0,1]=4 7325 B16R1.88 Cc1cccc(c1C)CC(=O)NCCC#N 527a_100000720768_100011698479 [0,2,0,0,0,0|1,0,1]=4 7326 B16R1.88 Cc1cccc(c1C)CN(C)CCCC#N 2230a_100000207598_100000687738 [0,2,0,0,0,0|2,0,0]=4 7327 B16R1.88 Cc1cccc(c1C)CN(C)CCCC#N 269982a_100000207598_100000687738 [0,2,0,0,0,0|2,0,0]=4 7328 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)Cl 11a_100000720768_100010145769 [0,2,0,0,0,0|1,0,1]=4 7329 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)Cl 1626a_100000720768_100010145769 [0,2,0,0,0,0|1,0,1]=4 7330 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)Cl 240690a_100000720768_100010145769 [0,2,0,0,0,0|1,0,1]=4 7331 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)Cl 527a_100000720768_100010145769 [0,2,0,0,0,0|1,0,1]=4 7332 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)F 11a_100000720768_100012356664 [0,2,0,0,0,0|1,0,1]=4 7333 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)F 1626a_100000720768_100012356664 [0,2,0,0,0,0|1,0,1]=4 7334 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)F 240690a_100000720768_100012356664 [0,2,0,0,0,0|1,0,1]=4 7335 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)F 527a_100000720768_100012356664 [0,2,0,0,0,0|1,0,1]=4 7336 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Br 11a_100000720768_100010145770 [0,2,0,0,0,0|1,0,1]=4 7337 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Br 1626a_100000720768_100010145770 [0,2,0,0,0,0|1,0,1]=4 7338 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Br 240690a_100000720768_100010145770 [0,2,0,0,0,0|1,0,1]=4 7339 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Br 527a_100000720768_100010145770 [0,2,0,0,0,0|1,0,1]=4 7340 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Cl 11a_100000720768_100000759314 [0,2,0,0,0,0|1,0,1]=4 7341 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Cl 1626a_100000720768_100000759314 [0,2,0,0,0,0|1,0,1]=4 7342 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Cl 240690a_100000720768_100000759314 [0,2,0,0,0,0|1,0,1]=4 7343 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Cl 527a_100000720768_100000759314 [0,2,0,0,0,0|1,0,1]=4 7344 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)F 11a_100000720768_100012001123 [0,2,0,0,0,0|1,0,1]=4 7345 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)F 1626a_100000720768_100012001123 [0,2,0,0,0,0|1,0,1]=4 7346 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)F 240690a_100000720768_100012001123 [0,2,0,0,0,0|1,0,1]=4 7347 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)F 527a_100000720768_100012001123 [0,2,0,0,0,0|1,0,1]=4 7348 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Br 11a_100000720768_100011935088 [0,2,0,0,0,0|1,0,1]=4 7349 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Br 1626a_100000720768_100011935088 [0,2,0,0,0,0|1,0,1]=4 7350 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Br 240690a_100000720768_100011935088 [0,2,0,0,0,0|1,0,1]=4 7351 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Br 527a_100000720768_100011935088 [0,2,0,0,0,0|1,0,1]=4 7352 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl 11a_100000720768_100000709823 [0,2,0,0,0,0|1,0,1]=4 7353 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl 1626a_100000720768_100000709823 [0,2,0,0,0,0|1,0,1]=4 7354 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl 240690a_100000720768_100000709823 [0,2,0,0,0,0|1,0,1]=4 7355 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl 527a_100000720768_100000709823 [0,2,0,0,0,0|1,0,1]=4 7356 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)F 11a_100000720768_100000684727 [0,2,0,0,0,0|1,0,1]=4 7357 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)F 1626a_100000720768_100000684727 [0,2,0,0,0,0|1,0,1]=4 7358 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)F 240690a_100000720768_100000684727 [0,2,0,0,0,0|1,0,1]=4 7359 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)F 527a_100000720768_100000684727 [0,2,0,0,0,0|1,0,1]=4 7360 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)Br 270004a_100020639649_100000689217 [0,2,0,0,0,0|1,0,1]=4 7361 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100020639649_100000727212 [0,2,0,0,0,0|1,0,1]=4 7362 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)F 270004a_100020639649_100000687711 [0,2,0,0,0,0|1,0,1]=4 7363 B16R1.659 CC(Cc1cccc(c1)Br)N(C)CCC#N 270004a_100000184479_100000689217 [0,2,0,0,0,0|0,0,0]=2 7364 B16R1.659 CC(Cc1cccc(c1)Br)N(C)CCCO 270004a_100000213112_100000689217 [0,2,0,0,0,0|1,0,1]=4 7365 B16R1.659 CC(Cc1cccc(c1)Cl)N(C)CCC#N 270004a_100000184479_100000727212 [0,2,0,0,0,0|0,0,0]=2 7366 B16R1.659 CC(Cc1cccc(c1)Cl)N(C)CCCO 270004a_100000213112_100000727212 [0,2,0,0,0,0|1,0,1]=4 7367 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCC#N 270004a_100000184479_100000687711 [0,2,0,0,0,0|0,0,0]=2 7368 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCCO 270004a_100000213112_100000687711 [0,2,0,0,0,0|1,0,1]=4 7369 B16R1.659 CC(Oc1cccc(c1)Br)C(=O)CCC#N 1458a_100000246016_100011215226 [0,2,0,0,0,0|2,0,0]=4 7370 B16R1.659 CC(Oc1cccc(c1)Cl)C(=O)CCC#N 1458a_100000185161_100011215226 [0,2,0,0,0,0|2,0,0]=4 7371 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000207549_100000689217 [0,2,0,0,0,0|1,0,1]=4 7372 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000207549_100000727212 [0,2,0,0,0,0|1,0,1]=4 7373 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)F 270004a_100000207549_100000687711 [0,2,0,0,0,0|1,0,1]=4 7374 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Br 11a_100000184479_100000747190 [0,2,0,0,0,0|1,0,1]=4 7375 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Br 240690a_100000184479_100000747190 [0,2,0,0,0,0|1,0,1]=4 7376 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Br 527a_100000184479_100000747190 [0,2,0,0,0,0|1,0,1]=4 7377 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Cl 11a_100000184479_100000749307 [0,2,0,0,0,0|1,0,1]=4 7378 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Cl 1626a_100000184479_100000749307 [0,2,0,0,0,0|1,0,1]=4 7379 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Cl 240690a_100000184479_100000749307 [0,2,0,0,0,0|1,0,1]=4 7380 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Cl 527a_100000184479_100000749307 [0,2,0,0,0,0|1,0,1]=4 7381 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)F 11a_100000184479_100000211661 [0,2,0,0,0,0|1,0,1]=4 7382 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)F 1626a_100000184479_100000211661 [0,2,0,0,0,0|1,0,1]=4 7383 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)F 240690a_100000184479_100000211661 [0,2,0,0,0,0|1,0,1]=4 7384 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)F 527a_100000184479_100000211661 [0,2,0,0,0,0|1,0,1]=4 7385 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)I 11a_100000184479_100000238430 [0,2,0,0,0,0|1,0,1]=4 7386 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)I 1626a_100000184479_100000238430 [0,2,0,0,0,0|1,0,1]=4 7387 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)I 240690a_100000184479_100000238430 [0,2,0,0,0,0|1,0,1]=4 7388 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)I 527a_100000184479_100000238430 [0,2,0,0,0,0|1,0,1]=4 7389 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)O 240690a_100000184479_100000745134 [0,2,0,0,0,0|1,0,1]=4 7390 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)O 527a_100000184479_100000745134 [0,2,0,0,0,0|1,0,1]=4 7391 B16R1.659 CN(Cc1cccc(c1)Br)C(=O)CCC#N 11a_100000187585_100011934036 [0,2,0,0,0,0|2,0,0]=4 7392 B16R1.659 CN(Cc1cccc(c1)Br)C(=O)CCC#N 1626a_100000187585_100011934036 [0,2,0,0,0,0|2,0,0]=4 7393 B16R1.659 CN(Cc1cccc(c1)Br)C(=O)CCC#N 240690a_100000187585_100011934036 [0,2,0,0,0,0|2,0,0]=4 7394 B16R1.659 CN(Cc1cccc(c1)Br)C(=O)CCC#N 527a_100000187585_100011934036 [0,2,0,0,0,0|2,0,0]=4 7395 B16R1.659 CN(Cc1cccc(c1)Cl)C(=O)CCC#N 11a_100020629429_100011934036 [0,2,0,0,0,0|2,0,0]=4 7396 B16R1.659 CN(Cc1cccc(c1)Cl)C(=O)CCC#N 1626a_100020629429_100011934036 [0,2,0,0,0,0|2,0,0]=4 7397 B16R1.659 CN(Cc1cccc(c1)Cl)C(=O)CCC#N 240690a_100020629429_100011934036 [0,2,0,0,0,0|2,0,0]=4 7398 B16R1.659 CN(Cc1cccc(c1)Cl)C(=O)CCC#N 527a_100020629429_100011934036 [0,2,0,0,0,0|2,0,0]=4 7399 B16R1.659 CN(Cc1cccc(c1)F)C(=O)CCC#N 11a_100000184398_100011934036 [0,2,0,0,0,0|2,0,0]=4 7400 B16R1.659 CN(Cc1cccc(c1)F)C(=O)CCC#N 1626a_100000184398_100011934036 [0,2,0,0,0,0|2,0,0]=4 7401 B16R1.659 CN(Cc1cccc(c1)F)C(=O)CCC#N 240690a_100000184398_100011934036 [0,2,0,0,0,0|2,0,0]=4 7402 B16R1.659 CN(Cc1cccc(c1)F)C(=O)CCC#N 527a_100000184398_100011934036 [0,2,0,0,0,0|2,0,0]=4 7403 B16R1.659 CN(Cc1cccc(c1)O)C(=O)CCC#N 240690a_100000207540_100011934036 [0,2,0,0,0,0|2,0,0]=4 7404 B16R1.659 CN(Cc1cccc(c1)O)C(=O)CCC#N 527a_100000207540_100011934036 [0,2,0,0,0,0|2,0,0]=4 7405 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000743101_100000689217 [0,2,0,0,0,0|2,0,0]=4 7406 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000743101_100000727212 [0,2,0,0,0,0|2,0,0]=4 7407 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)F 270004a_100000743101_100000687711 [0,2,0,0,0,0|2,0,0]=4 7408 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000686725_100000689217 [0,2,0,0,0,0|2,0,0]=4 7409 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000686725_100000727212 [0,2,0,0,0,0|2,0,0]=4 7410 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)F 270004a_100000686725_100000687711 [0,2,0,0,0,0|2,0,0]=4 7411 B16R1.659 Cc1cccc(c1)CC(=O)N(C)CCC#N 11a_100000184479_100011206899 [0,2,0,0,0,0|1,0,1]=4 7412 B16R1.659 Cc1cccc(c1)CC(=O)N(C)CCC#N 1626a_100000184479_100011206899 [0,2,0,0,0,0|1,0,1]=4 7413 B16R1.659 Cc1cccc(c1)CC(=O)N(C)CCC#N 240690a_100000184479_100011206899 [0,2,0,0,0,0|1,0,1]=4 7414 B16R1.659 Cc1cccc(c1)CC(=O)N(C)CCC#N 527a_100000184479_100011206899 [0,2,0,0,0,0|1,0,1]=4 7415 B16R1.659 Cc1cccc(c1)CN(C)C(=O)CCC#N 11a_102495364743_100011934036 [0,2,0,0,0,0|2,0,0]=4 7416 B16R1.659 Cc1cccc(c1)CN(C)C(=O)CCC#N 1626a_102495364743_100011934036 [0,2,0,0,0,0|2,0,0]=4 7417 B16R1.659 Cc1cccc(c1)CN(C)C(=O)CCC#N 240690a_102495364743_100011934036 [0,2,0,0,0,0|2,0,0]=4 7418 B16R1.659 Cc1cccc(c1)CN(C)C(=O)CCC#N 527a_102495364743_100011934036 [0,2,0,0,0,0|2,0,0]=4 7419 B16R1.659 Cc1cccc(c1)OC(C)C(=O)CCC#N 1458a_100000183885_100011215226 [0,2,0,0,0,0|2,0,0]=4 7420 B16R1.659 Cc1ccnc(c1)CC(C)N(C)CCC#N 270004a_100000184479_200015184229 [0,2,0,0,0,0|1,0,0]=3 7421 B16R1.659 N#CCCC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_100011215226 [0,2,0,0,0,0|2,0,0]=4 7422 B16R1.659 N#CCCC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100011215226 [0,2,0,0,0,0|2,0,0]=4 7423 B16R1.956 CC(Cc1cccc(c1)Br)N[C@H](C)CCO 270004a_100000706166_100000689217 [0,2,0,0,0,0|1,0,1]=4 7424 B16R1.956 CC(Cc1cccc(c1)Cl)N[C@H](C)CCO 270004a_100000706166_100000727212 [0,2,0,0,0,0|1,0,1]=4 7425 B16R1.956 CC(Cc1cccc(c1)F)N[C@H](C)CCO 270004a_100000706166_100000687711 [0,2,0,0,0,0|1,0,1]=4 7426 B16R1.956 CCCC(C)NC(C)Cc1cccc(c1)Br 270004a_100000741246_100000689217 [0,2,0,0,0,0|1,0,1]=4 7427 B16R1.956 CCCC(C)NC(C)Cc1cccc(c1)Cl 270004a_100000741246_100000727212 [0,2,0,0,0,0|1,0,1]=4 7428 B16R1.956 CCCC(C)NC(C)Cc1cccc(c1)F 270004a_100000741246_100000687711 [0,2,0,0,0,0|1,0,1]=4 7429 B16R1.956 CN(Cc1cccc(c1)Br)C[C@@H](O)CC#N 2230a_100000187585_100000001066 [0,2,0,0,0,0|2,0,0]=4 7430 B16R1.956 CN(Cc1cccc(c1)Cl)C[C@@H](O)CC#N 2230a_100020629429_100000001066 [0,2,0,0,0,0|2,0,0]=4 7431 B16R1.956 CN(Cc1cccc(c1)F)C[C@@H](O)CC#N 2230a_100000184398_100000001066 [0,2,0,0,0,0|2,0,0]=4 7432 B16R1.956 CN(Cc1cccc(c1)O)C[C@@H](O)CC#N 2230a_100000207540_100000001066 [0,2,0,0,0,0|2,0,0]=4 7433 B16R1.956 COC[C@@H](C)NC(C)Cc1cccc(c1)Br 270004a_100000764878_100000689217 [0,2,0,0,0,0|2,0,0]=4 7434 B16R1.956 COC[C@@H](C)NC(C)Cc1cccc(c1)Cl 270004a_100000764878_100000727212 [0,2,0,0,0,0|2,0,0]=4 7435 B16R1.956 COC[C@@H](C)NC(C)Cc1cccc(c1)F 270004a_100000764878_100000687711 [0,2,0,0,0,0|2,0,0]=4 7436 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Br 11a_100016994482_100000747190 [0,2,0,0,0,0|1,0,1]=4 7437 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Br 240690a_100016994482_100000747190 [0,2,0,0,0,0|1,0,1]=4 7438 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Br 527a_100016994482_100000747190 [0,2,0,0,0,0|1,0,1]=4 7439 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Cl 11a_100016994482_100000749307 [0,2,0,0,0,0|1,0,1]=4 7440 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Cl 1626a_100016994482_100000749307 [0,2,0,0,0,0|1,0,1]=4 7441 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Cl 240690a_100016994482_100000749307 [0,2,0,0,0,0|1,0,1]=4 7442 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Cl 527a_100016994482_100000749307 [0,2,0,0,0,0|1,0,1]=4 7443 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)F 11a_100016994482_100000211661 [0,2,0,0,0,0|1,0,1]=4 7444 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)F 1626a_100016994482_100000211661 [0,2,0,0,0,0|1,0,1]=4 7445 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)F 240690a_100016994482_100000211661 [0,2,0,0,0,0|1,0,1]=4 7446 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)F 527a_100016994482_100000211661 [0,2,0,0,0,0|1,0,1]=4 7447 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)I 11a_100016994482_100000238430 [0,2,0,0,0,0|1,0,1]=4 7448 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)I 1626a_100016994482_100000238430 [0,2,0,0,0,0|1,0,1]=4 7449 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)I 240690a_100016994482_100000238430 [0,2,0,0,0,0|1,0,1]=4 7450 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)I 527a_100016994482_100000238430 [0,2,0,0,0,0|1,0,1]=4 7451 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)O 240690a_100016994482_100000745134 [0,2,0,0,0,0|1,0,1]=4 7452 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)O 527a_100016994482_100000745134 [0,2,0,0,0,0|1,0,1]=4 7453 B16R1.956 Cc1cccc(c1)CC(=O)N[C@@H](C)CC#N 11a_100016994482_100011206899 [0,2,0,0,0,0|1,0,1]=4 7454 B16R1.956 Cc1cccc(c1)CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100011206899 [0,2,0,0,0,0|1,0,1]=4 7455 B16R1.956 Cc1cccc(c1)CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100011206899 [0,2,0,0,0,0|1,0,1]=4 7456 B16R1.956 Cc1cccc(c1)CC(=O)N[C@@H](C)CC#N 527a_100016994482_100011206899 [0,2,0,0,0,0|1,0,1]=4 7457 B16R1.956 Cc1cccc(c1)CN(C)C[C@@H](O)CC#N 2230a_102495364743_100000001066 [0,2,0,0,0,0|2,0,0]=4 7458 B16R1.1148 CC(Cc1cccc(c1)Br)NC[C@@H](F)CO 270004a_100015665980_100000689217 [0,2,0,0,0,0|1,0,1]=4 7459 B16R1.1148 CC(Cc1cccc(c1)Cl)NC[C@@H](F)CO 270004a_100015665980_100000727212 [0,2,0,0,0,0|1,0,1]=4 7460 B16R1.1148 CC(Cc1cccc(c1)F)NC[C@@H](F)CO 270004a_100015665980_100000687711 [0,2,0,0,0,0|1,0,1]=4 7461 B16R1.1148 CCC(C)CNC(C)Cc1cccc(c1)Br 270004a_100020588543_100000689217 [0,2,0,0,0,0|1,0,1]=4 7462 B16R1.1148 CCC(C)CNC(C)Cc1cccc(c1)Cl 270004a_100020588543_100000727212 [0,2,0,0,0,0|1,0,1]=4 7463 B16R1.1148 CCC(C)CNC(C)Cc1cccc(c1)F 270004a_100020588543_100000687711 [0,2,0,0,0,0|1,0,1]=4 7464 B16R1.1148 CCC(O)CNC(C)Cc1cccc(c1)Br 270004a_100011218483_100000689217 [0,2,0,0,0,0|1,0,1]=4 7465 B16R1.1148 CCC(O)CNC(C)Cc1cccc(c1)Cl 270004a_100011218483_100000727212 [0,2,0,0,0,0|1,0,1]=4 7466 B16R1.1148 CCC(O)CNC(C)Cc1cccc(c1)F 270004a_100011218483_100000687711 [0,2,0,0,0,0|1,0,1]=4 7467 B16R1.1148 CO[C@H](C)CNC(C)Cc1cccc(c1)Br 270004a_100020591295_100000689217 [0,2,0,0,0,0|2,0,0]=4 7468 B16R1.1148 CO[C@H](C)CNC(C)Cc1cccc(c1)Cl 270004a_100020591295_100000727212 [0,2,0,0,0,0|2,0,0]=4 7469 B16R1.1148 CO[C@H](C)CNC(C)Cc1cccc(c1)F 270004a_100020591295_100000687711 [0,2,0,0,0,0|2,0,0]=4 7470 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000688953 [0,2,0,0,0,0|1,0,0]=3 7471 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000688953 [0,2,0,0,0,0|1,0,0]=3 7472 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000688953 [0,2,0,0,0,0|1,0,0]=3 7473 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000688953 [0,2,0,0,0,0|1,0,0]=3 7474 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000688953 [0,2,0,0,0,0|1,0,0]=3 7475 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000688953 [0,2,0,0,0,0|1,0,0]=3 7476 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000754431 [0,2,0,0,0,0|1,0,1]=4 7477 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000754431 [0,2,0,0,0,0|1,0,1]=4 7478 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000754431 [0,2,0,0,0,0|1,0,1]=4 7479 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000754431 [0,2,0,0,0,0|1,0,1]=4 7480 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000754431 [0,2,0,0,0,0|1,0,1]=4 7481 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000754431 [0,2,0,0,0,0|1,0,1]=4 7482 B16R1.1231 CC#CCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000748600 [0,2,0,0,0,0|1,0,1]=4 7483 B16R1.1231 CC#CCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000748600 [0,2,0,0,0,0|1,0,1]=4 7484 B16R1.1231 CC#CCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000748600 [0,2,0,0,0,0|1,0,1]=4 7485 B16R1.1231 CC#CCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000748600 [0,2,0,0,0,0|1,0,1]=4 7486 B16R1.1231 CC#CCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000748600 [0,2,0,0,0,0|1,0,1]=4 7487 B16R1.1231 CC#CCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000748600 [0,2,0,0,0,0|1,0,1]=4 7488 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000210211 [0,2,0,0,0,0|1,0,1]=4 7489 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000210210 [0,2,0,0,0,0|1,0,1]=4 7490 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000210211 [0,2,0,0,0,0|1,0,1]=4 7491 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000210210 [0,2,0,0,0,0|1,0,1]=4 7492 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000210211 [0,2,0,0,0,0|1,0,1]=4 7493 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000210210 [0,2,0,0,0,0|1,0,1]=4 7494 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)Br 2230a_100000187426_100000687738 [0,2,0,0,0,0|2,0,0]=4 7495 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)Br 269982a_100000187426_100000687738 [0,2,0,0,0,0|2,0,0]=4 7496 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)C 2230a_102516607250_100000687738 [0,2,0,0,0,0|2,0,0]=4 7497 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)C 269982a_102516607250_100000687738 [0,2,0,0,0,0|2,0,0]=4 7498 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)Cl 2230a_100000201194_100000687738 [0,2,0,0,0,0|2,0,0]=4 7499 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)Cl 269982a_100000201194_100000687738 [0,2,0,0,0,0|2,0,0]=4 7500 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)F 2230a_100000195558_100000687738 [0,2,0,0,0,0|2,0,0]=4 7501 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)F 269982a_100000195558_100000687738 [0,2,0,0,0,0|2,0,0]=4 7502 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)O 2230a_100000201218_100000687738 [0,2,0,0,0,0|2,0,0]=4 7503 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)O 269982a_100000201218_100000687738 [0,2,0,0,0,0|2,0,0]=4 7504 B16R1.1231 COCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100011201679 [0,2,0,0,0,0|2,0,0]=4 7505 B16R1.1231 COCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100011201679 [0,2,0,0,0,0|2,0,0]=4 7506 B16R1.1231 COCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100011201679 [0,2,0,0,0,0|2,0,0]=4 7507 B16R1.1231 COCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100011201679 [0,2,0,0,0,0|2,0,0]=4 7508 B16R1.1231 COCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100011201679 [0,2,0,0,0,0|2,0,0]=4 7509 B16R1.1231 COCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100011201679 [0,2,0,0,0,0|2,0,0]=4 7510 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000751147 [0,2,0,0,0,0|2,0,0]=4 7511 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000212216 [0,2,0,0,0,0|2,0,0]=4 7512 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000751147 [0,2,0,0,0,0|2,0,0]=4 7513 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000212216 [0,2,0,0,0,0|2,0,0]=4 7514 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000751147 [0,2,0,0,0,0|2,0,0]=4 7515 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000212216 [0,2,0,0,0,0|2,0,0]=4 7516 B16R1.1231 Cc1cccc(c1)CC(CO)NCCC#N 2230a_100000716799_100011215226 [0,2,0,0,0,0|0,0,0]=2 7517 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCF 2230a_100000716799_100011934791 [0,2,0,0,0,0|1,0,1]=4 7518 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCF 34a_100000716799_100011934791 [0,2,0,0,0,0|1,0,1]=4 7519 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCO 2230a_100000716799_100000230001 [0,2,0,0,0,0|1,0,1]=4 7520 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCO 34a_100000716799_100000230001 [0,2,0,0,0,0|1,0,1]=4 7521 B16R1.1231 N#CCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100011215226 [0,2,0,0,0,0|0,0,0]=2 7522 B16R1.1231 N#CCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100011215226 [0,2,0,0,0,0|0,0,0]=2 7523 B16R1.1231 OCC(Cc1cccc(c1)Br)NCCCF 2230a_114802770106_100011934791 [0,2,0,0,0,0|1,0,1]=4 7524 B16R1.1231 OCC(Cc1cccc(c1)Br)NCCCF 34a_114802770106_100011934791 [0,2,0,0,0,0|1,0,1]=4 7525 B16R1.1231 OCC(Cc1cccc(c1)F)NCCCF 2230a_200012000099_100011934791 [0,2,0,0,0,0|1,0,1]=4 7526 B16R1.1231 OCC(Cc1cccc(c1)F)NCCCF 34a_200012000099_100011934791 [0,2,0,0,0,0|1,0,1]=4 7527 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000230001 [0,2,0,0,0,0|1,0,1]=4 7528 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000230001 [0,2,0,0,0,0|1,0,1]=4 7529 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000230001 [0,2,0,0,0,0|1,0,1]=4 7530 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000230001 [0,2,0,0,0,0|1,0,1]=4 7531 B16R1.7379 C=CCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100015191253_200012258975 [0,2,0,0,0,0|1,0,1]=4 7532 B16R1.7379 C=CCCNC(C)Cc1cc(ccc1F)F 270004a_100015191253_200011522264 [0,2,0,0,0,0|1,0,1]=4 7533 B16R1.7379 CC(Cc1cc(ccc1Cl)Cl)NCCC#N 270004a_100000720768_200012258975 [0,2,0,0,0,0|0,0,0]=2 7534 B16R1.7379 CC(Cc1cc(ccc1Cl)Cl)NCCCF 270004a_100015189416_200012258975 [0,2,0,0,0,0|1,0,1]=4 7535 B16R1.7379 CC(Cc1cc(ccc1Cl)Cl)NCCCO 270004a_100000182051_200012258975 [0,2,0,0,0,0|1,0,1]=4 7536 B16R1.7379 CC(Cc1cc(ccc1F)F)NCCC#N 270004a_100000720768_200011522264 [0,2,0,0,0,0|0,0,0]=2 7537 B16R1.7379 CC(Cc1cc(ccc1F)F)NCCCF 270004a_100015189416_200011522264 [0,2,0,0,0,0|1,0,1]=4 7538 B16R1.7379 CC(Cc1cc(ccc1F)F)NCCCO 270004a_100000182051_200011522264 [0,2,0,0,0,0|1,0,1]=4 7539 B16R1.7379 CCCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100000102301_200012258975 [0,2,0,0,0,0|1,0,1]=4 7540 B16R1.7379 CCCCNC(C)Cc1cc(ccc1F)F 270004a_100000102301_200011522264 [0,2,0,0,0,0|1,0,1]=4 7541 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Br)Cl 2230a_100000711432_100000687738 [0,2,0,0,0,0|2,0,0]=4 7542 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Br)Cl 269982a_100000711432_100000687738 [0,2,0,0,0,0|2,0,0]=4 7543 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Cl)Cl 2230a_106354212996_100000687738 [0,2,0,0,0,0|2,0,0]=4 7544 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Cl)Cl 269982a_106354212996_100000687738 [0,2,0,0,0,0|2,0,0]=4 7545 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1F)Br 2230a_100000748472_100000687738 [0,2,0,0,0,0|2,0,0]=4 7546 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1F)Br 269982a_100000748472_100000687738 [0,2,0,0,0,0|2,0,0]=4 7547 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1F)F 2230a_100000724026_100000687738 [0,2,0,0,0,0|2,0,0]=4 7548 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1F)F 269982a_100000724026_100000687738 [0,2,0,0,0,0|2,0,0]=4 7549 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1O)Br 2230a_100011602694_100000687738 [0,2,0,0,0,0|2,0,0]=4 7550 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1O)Br 269982a_100011602694_100000687738 [0,2,0,0,0,0|2,0,0]=4 7551 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1O)Cl 2230a_100000712467_100000687738 [0,2,0,0,0,0|2,0,0]=4 7552 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1O)Cl 269982a_100000712467_100000687738 [0,2,0,0,0,0|2,0,0]=4 7553 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1O)F 2230a_114855342409_100000687738 [0,2,0,0,0,0|2,0,0]=4 7554 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1O)F 269982a_114855342409_100000687738 [0,2,0,0,0,0|2,0,0]=4 7555 B16R1.7379 COCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100000209980_200012258975 [0,2,0,0,0,0|2,0,0]=4 7556 B16R1.7379 COCCNC(C)Cc1cc(ccc1F)F 270004a_100000209980_200011522264 [0,2,0,0,0,0|2,0,0]=4 7557 B16R1.7379 CSCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100020590264_200012258975 [0,2,0,0,0,0|2,0,0]=4 7558 B16R1.7379 CSCCNC(C)Cc1cc(ccc1F)F 270004a_100020590264_200011522264 [0,2,0,0,0,0|2,0,0]=4 7559 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)Br 11a_100000720768_100010004923 [0,2,0,0,0,0|1,0,1]=4 7560 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)Br 1626a_100000720768_100010004923 [0,2,0,0,0,0|1,0,1]=4 7561 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)Br 240690a_100000720768_100010004923 [0,2,0,0,0,0|1,0,1]=4 7562 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)Br 527a_100000720768_100010004923 [0,2,0,0,0,0|1,0,1]=4 7563 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)C 11a_100000720768_100000749331 [0,2,0,0,0,0|1,0,1]=4 7564 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)C 1626a_100000720768_100000749331 [0,2,0,0,0,0|1,0,1]=4 7565 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)C 240690a_100000720768_100000749331 [0,2,0,0,0,0|1,0,1]=4 7566 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)C 527a_100000720768_100000749331 [0,2,0,0,0,0|1,0,1]=4 7567 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)F 11a_100000720768_100011667363 [0,2,0,0,0,0|1,0,1]=4 7568 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)F 1626a_100000720768_100011667363 [0,2,0,0,0,0|1,0,1]=4 7569 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)F 240690a_100000720768_100011667363 [0,2,0,0,0,0|1,0,1]=4 7570 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)F 527a_100000720768_100011667363 [0,2,0,0,0,0|1,0,1]=4 7571 B16R1.7379 Cc1ccc(c(c1)CN(C)CCCC#N)F 2230a_102515433075_100000687738 [0,2,0,0,0,0|2,0,0]=4 7572 B16R1.7379 Cc1ccc(c(c1)CN(C)CCCC#N)F 269982a_102515433075_100000687738 [0,2,0,0,0,0|2,0,0]=4 7573 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Br 11a_100000720768_100010244045 [0,2,0,0,0,0|1,0,1]=4 7574 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Br 1626a_100000720768_100010244045 [0,2,0,0,0,0|1,0,1]=4 7575 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Br 240690a_100000720768_100010244045 [0,2,0,0,0,0|1,0,1]=4 7576 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Br 527a_100000720768_100010244045 [0,2,0,0,0,0|1,0,1]=4 7577 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)F 11a_100000720768_100011219217 [0,2,0,0,0,0|1,0,1]=4 7578 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)F 1626a_100000720768_100011219217 [0,2,0,0,0,0|1,0,1]=4 7579 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)F 240690a_100000720768_100011219217 [0,2,0,0,0,0|1,0,1]=4 7580 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)F 527a_100000720768_100011219217 [0,2,0,0,0,0|1,0,1]=4 7581 B16R1.7379 Cc1ccc(cc1CN(C)CCCC#N)Br 2230a_106744473289_100000687738 [0,2,0,0,0,0|2,0,0]=4 7582 B16R1.7379 Cc1ccc(cc1CN(C)CCCC#N)Br 269982a_106744473289_100000687738 [0,2,0,0,0,0|2,0,0]=4 7583 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Br 11a_100000720768_100010004897 [0,2,0,0,0,0|1,0,1]=4 7584 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Br 240690a_100000720768_100010004897 [0,2,0,0,0,0|1,0,1]=4 7585 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Br 527a_100000720768_100010004897 [0,2,0,0,0,0|1,0,1]=4 7586 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Cl 11a_100000720768_100000690875 [0,2,0,0,0,0|1,0,1]=4 7587 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Cl 1626a_100000720768_100000690875 [0,2,0,0,0,0|1,0,1]=4 7588 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Cl 240690a_100000720768_100000690875 [0,2,0,0,0,0|1,0,1]=4 7589 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Cl 527a_100000720768_100000690875 [0,2,0,0,0,0|1,0,1]=4 7590 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)F 11a_100000720768_100000690878 [0,2,0,0,0,0|1,0,1]=4 7591 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)F 1626a_100000720768_100000690878 [0,2,0,0,0,0|1,0,1]=4 7592 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)F 240690a_100000720768_100000690878 [0,2,0,0,0,0|1,0,1]=4 7593 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)F 527a_100000720768_100000690878 [0,2,0,0,0,0|1,0,1]=4 7594 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Br 11a_100000720768_100011600618 [0,2,0,0,0,0|1,0,1]=4 7595 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Br 1626a_100000720768_100011600618 [0,2,0,0,0,0|1,0,1]=4 7596 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Br 240690a_100000720768_100011600618 [0,2,0,0,0,0|1,0,1]=4 7597 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Br 527a_100000720768_100011600618 [0,2,0,0,0,0|1,0,1]=4 7598 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Cl 11a_100000720768_100000748246 [0,2,0,0,0,0|1,0,1]=4 7599 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100000720768_100000748246 [0,2,0,0,0,0|1,0,1]=4 7600 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100000720768_100000748246 [0,2,0,0,0,0|1,0,1]=4 7601 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Cl 527a_100000720768_100000748246 [0,2,0,0,0,0|1,0,1]=4 7602 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)F 11a_100000720768_100011830335 [0,2,0,0,0,0|1,0,1]=4 7603 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)F 1626a_100000720768_100011830335 [0,2,0,0,0,0|1,0,1]=4 7604 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)F 240690a_100000720768_100011830335 [0,2,0,0,0,0|1,0,1]=4 7605 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)F 527a_100000720768_100011830335 [0,2,0,0,0,0|1,0,1]=4 7606 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Br 11a_100000720768_100000690877 [0,2,0,0,0,0|1,0,1]=4 7607 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Br 1626a_100000720768_100000690877 [0,2,0,0,0,0|1,0,1]=4 7608 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Br 240690a_100000720768_100000690877 [0,2,0,0,0,0|1,0,1]=4 7609 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Br 527a_100000720768_100000690877 [0,2,0,0,0,0|1,0,1]=4 7610 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Cl 11a_100000720768_100011217548 [0,2,0,0,0,0|1,0,1]=4 7611 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Cl 1626a_100000720768_100011217548 [0,2,0,0,0,0|1,0,1]=4 7612 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Cl 240690a_100000720768_100011217548 [0,2,0,0,0,0|1,0,1]=4 7613 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Cl 527a_100000720768_100011217548 [0,2,0,0,0,0|1,0,1]=4 7614 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)F 11a_100000720768_100000762760 [0,2,0,0,0,0|1,0,1]=4 7615 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)F 1626a_100000720768_100000762760 [0,2,0,0,0,0|1,0,1]=4 7616 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)F 240690a_100000720768_100000762760 [0,2,0,0,0,0|1,0,1]=4 7617 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)F 527a_100000720768_100000762760 [0,2,0,0,0,0|1,0,1]=4 7618 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1O)Br 240690a_100000720768_100010072483 [0,2,0,0,0,0|1,0,1]=4 7619 B16R1.7381 C=CCCNC(C)Cc1cc(cc(c1)F)F 270004a_100015191253_200011487669 [0,2,0,0,0,0|1,0,1]=4 7620 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCC#N 270004a_100000720768_200011487669 [0,2,0,0,0,0|0,0,0]=2 7621 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCCF 270004a_100015189416_200011487669 [0,2,0,0,0,0|1,0,1]=4 7622 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCCO 270004a_100000182051_200011487669 [0,2,0,0,0,0|1,0,1]=4 7623 B16R1.7381 CCCCNC(C)Cc1cc(cc(c1)F)F 270004a_100000102301_200011487669 [0,2,0,0,0,0|1,0,1]=4 7624 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)Cl)Cl 2230a_100016988021_100000687738 [0,2,0,0,0,0|2,0,0]=4 7625 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)Cl)Cl 269982a_100016988021_100000687738 [0,2,0,0,0,0|2,0,0]=4 7626 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)F)F 2230a_100000720221_100000687738 [0,2,0,0,0,0|2,0,0]=4 7627 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)F)F 269982a_100000720221_100000687738 [0,2,0,0,0,0|2,0,0]=4 7628 B16R1.7381 COCCNC(C)Cc1cc(cc(c1)F)F 270004a_100000209980_200011487669 [0,2,0,0,0,0|2,0,0]=4 7629 B16R1.7381 CSCCNC(C)Cc1cc(cc(c1)F)F 270004a_100020590264_200011487669 [0,2,0,0,0,0|2,0,0]=4 7630 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)C 11a_100000720768_100011202310 [0,2,0,0,0,0|1,0,1]=4 7631 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)C 240690a_100000720768_100011202310 [0,2,0,0,0,0|1,0,1]=4 7632 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)C 527a_100000720768_100011202310 [0,2,0,0,0,0|1,0,1]=4 7633 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)F 11a_100000720768_100011216671 [0,2,0,0,0,0|1,0,1]=4 7634 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)F 1626a_100000720768_100011216671 [0,2,0,0,0,0|1,0,1]=4 7635 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)F 240690a_100000720768_100011216671 [0,2,0,0,0,0|1,0,1]=4 7636 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)F 527a_100000720768_100011216671 [0,2,0,0,0,0|1,0,1]=4 7637 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Br 11a_100000720768_100010186705 [0,2,0,0,0,0|1,0,1]=4 7638 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Br 240690a_100000720768_100010186705 [0,2,0,0,0,0|1,0,1]=4 7639 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Br 527a_100000720768_100010186705 [0,2,0,0,0,0|1,0,1]=4 7640 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)F 11a_100000720768_100011935118 [0,2,0,0,0,0|1,0,1]=4 7641 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)F 240690a_100000720768_100011935118 [0,2,0,0,0,0|1,0,1]=4 7642 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)F 527a_100000720768_100011935118 [0,2,0,0,0,0|1,0,1]=4 7643 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)Cl 11a_100000720768_100012340057 [0,2,0,0,0,0|1,0,1]=4 7644 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)Cl 1626a_100000720768_100012340057 [0,2,0,0,0,0|1,0,1]=4 7645 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)Cl 240690a_100000720768_100012340057 [0,2,0,0,0,0|1,0,1]=4 7646 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)Cl 527a_100000720768_100012340057 [0,2,0,0,0,0|1,0,1]=4 7647 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)F 11a_100000720768_100011217690 [0,2,0,0,0,0|1,0,1]=4 7648 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)F 1626a_100000720768_100011217690 [0,2,0,0,0,0|1,0,1]=4 7649 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)F 240690a_100000720768_100011217690 [0,2,0,0,0,0|1,0,1]=4 7650 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)F 527a_100000720768_100011217690 [0,2,0,0,0,0|1,0,1]=4 7651 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)F)F 11a_100000720768_100011220011 [0,2,0,0,0,0|1,0,1]=4 7652 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)F)F 1626a_100000720768_100011220011 [0,2,0,0,0,0|1,0,1]=4 7653 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)F)F 240690a_100000720768_100011220011 [0,2,0,0,0,0|1,0,1]=4 7654 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)F)F 527a_100000720768_100011220011 [0,2,0,0,0,0|1,0,1]=4 7655 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)O)O 240690a_100000720768_100000080560 [0,2,0,0,0,0|1,0,1]=4 7656 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)O)O 527a_100000720768_100000080560 [0,2,0,0,0,0|1,0,1]=4 7657 B16R1.7389 C=CCCNC(C)Cc1cccc(c1)OC 270004a_100015191253_100011218204 [0,2,0,0,0,0|1,0,1]=4 7658 B16R1.7389 CCCCNC(C)Cc1cccc(c1)OC 270004a_100000102301_100011218204 [0,2,0,0,0,0|1,0,1]=4 7659 B16R1.7389 CN(CCCC#N)Cc1cccc(c1)C#N 2230a_100000168042_100000687738 [0,2,0,0,0,0|2,0,0]=4 7660 B16R1.7389 CN(CCCC#N)Cc1cccc(c1)C#N 269982a_100000168042_100000687738 [0,2,0,0,0,0|2,0,0]=4 7661 B16R1.7389 COCCNC(C)Cc1cccc(c1)OC 270004a_100000209980_100011218204 [0,2,0,0,0,0|2,0,0]=4 7662 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N 11a_100000720768_100000211281 [0,2,0,0,0,0|1,0,1]=4 7663 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N 1626a_100000720768_100000211281 [0,2,0,0,0,0|1,0,1]=4 7664 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N 240690a_100000720768_100000211281 [0,2,0,0,0,0|1,0,1]=4 7665 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N 527a_100000720768_100000211281 [0,2,0,0,0,0|1,0,1]=4 7666 B16R1.7389 COc1cccc(c1)CC(C)NCCC#N 270004a_100000720768_100011218204 [0,2,0,0,0,0|0,0,0]=2 7667 B16R1.7389 COc1cccc(c1)CC(C)NCCCF 270004a_100015189416_100011218204 [0,2,0,0,0,0|1,0,1]=4 7668 B16R1.7389 COc1cccc(c1)CC(C)NCCCO 270004a_100000182051_100011218204 [0,2,0,0,0,0|1,0,1]=4 7669 B16R1.7389 COc1cccc(c1)CC(C)NCCSC 270004a_100020590264_100011218204 [0,2,0,0,0,0|2,0,0]=4 7670 B16R1.7389 COc1cccc(c1)CN(C)CCCC#N 2230a_100000184262_100000687738 [0,2,0,0,0,0|2,0,0]=4 7671 B16R1.7389 COc1cccc(c1)CN(C)CCCC#N 269982a_100000184262_100000687738 [0,2,0,0,0,0|2,0,0]=4 7672 B16R1.7389 CSc1cccc(c1)CC(=O)NCCC#N 11a_100000720768_100000035702 [0,2,0,0,0,0|1,0,1]=4 7673 B16R1.7389 CSc1cccc(c1)CC(=O)NCCC#N 1626a_100000720768_100000035702 [0,2,0,0,0,0|1,0,1]=4 7674 B16R1.7389 CSc1cccc(c1)CC(=O)NCCC#N 240690a_100000720768_100000035702 [0,2,0,0,0,0|1,0,1]=4 7675 B16R1.7389 CSc1cccc(c1)CC(=O)NCCC#N 527a_100000720768_100000035702 [0,2,0,0,0,0|1,0,1]=4 7676 B16R1.7389 CSc1cccc(c1)CN(C)CCCC#N 2230a_100011934695_100000687738 [0,2,0,0,0,0|2,0,0]=4 7677 B16R1.7389 CSc1cccc(c1)CN(C)CCCC#N 269982a_100011934695_100000687738 [0,2,0,0,0,0|2,0,0]=4 7678 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C#N 11a_100000720768_100000684415 [0,2,0,0,0,0|1,0,1]=4 7679 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C#N 1626a_100000720768_100000684415 [0,2,0,0,0,0|1,0,1]=4 7680 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C#N 240690a_100000720768_100000684415 [0,2,0,0,0,0|1,0,1]=4 7681 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C#N 527a_100000720768_100000684415 [0,2,0,0,0,0|1,0,1]=4 7682 B16R1.11236 CC(C)CCNC(C)Cc1cccc(c1)Br 270004a_100000210545_100000689217 [0,2,0,0,0,0|1,0,1]=4 7683 B16R1.11236 CC(C)CCNC(C)Cc1cccc(c1)Cl 270004a_100000210545_100000727212 [0,2,0,0,0,0|1,0,1]=4 7684 B16R1.11236 CC(C)CCNC(C)Cc1cccc(c1)F 270004a_100000210545_100000687711 [0,2,0,0,0,0|1,0,1]=4 7685 B16R1.11236 CC(Cc1cccc(c1)Br)NCCN(C)C 270004a_100000210585_100000689217 [0,2,0,0,0,0|2,0,0]=4 7686 B16R1.11236 CC(Cc1cccc(c1)Cl)NCCN(C)C 270004a_100000210585_100000727212 [0,2,0,0,0,0|2,0,0]=4 7687 B16R1.11236 CC(Cc1cccc(c1)F)NCCN(C)C 270004a_100000210585_100000687711 [0,2,0,0,0,0|2,0,0]=4 7688 B16R1.11236 CC(O)CCNC(C)Cc1cccc(c1)Br 270004a_200000755665_100000689217 [0,2,0,0,0,0|1,0,1]=4 7689 B16R1.11236 CC(O)CCNC(C)Cc1cccc(c1)Cl 270004a_200000755665_100000727212 [0,2,0,0,0,0|1,0,1]=4 7690 B16R1.11236 CC(O)CCNC(C)Cc1cccc(c1)F 270004a_200000755665_100000687711 [0,2,0,0,0,0|1,0,1]=4 7691 B16R1.20523 CC(C)(Cc1cccc(n1)Br)OCCC#N 7a_100010253926_100000184422 [0,2,0,0,0,0|2,0,0]=4 7692 B16R1.20523 Cc1cccc(c1)CC(C)(C)COCC#N 7a_100011996924_100011215382 [0,2,0,0,0,0|2,0,0]=4 7693 B16R1.20523 Cc1cccc(c1)CS(=O)(=O)NCCC#N 274078a_100000720768_100000743697 [0,2,0,0,0,0|2,0,0]=4 7694 B16R1.20523 Cc1cccc(c1)CS(=O)(=O)NCCC#N 40a_100000720768_100015207158 [0,2,0,0,0,0|2,0,0]=4 7695 B16R1.20523 N#CCCNS(=O)(=O)Cc1cccc(c1)Br 274078a_100000720768_100000726588 [0,2,0,0,0,0|2,0,0]=4 7696 B16R1.20523 N#CCCNS(=O)(=O)Cc1cccc(c1)Cl 274078a_100000720768_100000725668 [0,2,0,0,0,0|2,0,0]=4 7697 B16R1.20523 N#CCCNS(=O)(=O)Cc1cccc(c1)F 274078a_100000720768_100000750188 [0,2,0,0,0,0|2,0,0]=4 7698 B16R1.126 C#CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000688953 [0,2,0,0,0,0|1,0,0]=3 7699 B16R1.126 C#CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000730999 [0,2,0,0,0,0|1,0,0]=3 7700 B16R1.126 C=CCCN(C)C(CC)Cc1ccccc1 270004a_100020639649_100000212045 [0,2,0,0,0,0|1,0,1]=4 7701 B16R1.126 C=CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000754431 [0,2,0,0,0,0|1,0,1]=4 7702 B16R1.126 C=CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000754431 [0,2,0,0,0,0|1,0,1]=4 7703 B16R1.126 CC#CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000748600 [0,2,0,0,0,0|1,0,1]=4 7704 B16R1.126 CCC(Cc1ccccc1)N(C)CCC#N 270004a_100000184479_100000212045 [0,2,0,0,0,0|0,0,0]=2 7705 B16R1.126 CCC(Cc1ccccc1)N(C)CCCO 270004a_100000213112_100000212045 [0,2,0,0,0,0|1,0,1]=4 7706 B16R1.126 CCC(Cc1ccccc1)N(C)CCOC 270004a_100000743101_100000212045 [0,2,0,0,0,0|2,0,0]=4 7707 B16R1.126 CCC(Cc1ccccc1)N(C)CCSC 270004a_100000686725_100000212045 [0,2,0,0,0,0|2,0,0]=4 7708 B16R1.126 CCC(Oc1ccccc1)C(=O)CCC#N 1458a_100000211556_100011215226 [0,2,0,0,0,0|2,0,0]=4 7709 B16R1.126 CCC(Sc1ccccc1)C(=O)CCC#N 1458a_100000230495_100011215226 [0,2,0,0,0,0|2,0,0]=4 7710 B16R1.126 CCCCN(C)C(CC)Cc1ccccc1 270004a_100000207549_100000212045 [0,2,0,0,0,0|1,0,1]=4 7711 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210211 [0,2,0,0,0,0|1,0,1]=4 7712 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210211 [0,2,0,0,0,0|1,0,1]=4 7713 B16R1.126 CCN(Cc1ccccc1)C(=O)CCC#N 11a_100000186914_100011934036 [0,2,0,0,0,0|2,0,0]=4 7714 B16R1.126 CCN(Cc1ccccc1)C(=O)CCC#N 1626a_100000186914_100011934036 [0,2,0,0,0,0|2,0,0]=4 7715 B16R1.126 CCN(Cc1ccccc1)C(=O)CCC#N 240690a_100000186914_100011934036 [0,2,0,0,0,0|2,0,0]=4 7716 B16R1.126 CCN(Cc1ccccc1)C(=O)CCC#N 527a_100000186914_100011934036 [0,2,0,0,0,0|2,0,0]=4 7717 B16R1.126 CN(CCC#N)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011215226 [0,2,0,0,0,0|0,0,0]=2 7718 B16R1.126 CN(CCC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011215226 [0,2,0,0,0,0|0,0,0]=2 7719 B16R1.126 CN(CCCF)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011934791 [0,2,0,0,0,0|1,0,1]=4 7720 B16R1.126 CN(CCCF)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011934791 [0,2,0,0,0,0|1,0,1]=4 7721 B16R1.126 CN(CCCO)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000230001 [0,2,0,0,0,0|1,0,1]=4 7722 B16R1.126 CN(CCCO)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011215043 [0,2,0,0,0,0|1,0,1]=4 7723 B16R1.126 CN(CSC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000211825 [0,2,0,0,0,0|1,0,0]=3 7724 B16R1.126 COCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011201679 [0,2,0,0,0,0|2,0,0]=4 7725 B16R1.126 COCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000233755 [0,2,0,0,0,0|2,0,0]=4 7726 B16R1.126 CSCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000751147 [0,2,0,0,0,0|2,0,0]=4 7727 B16R1.126 CSCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000212216 [0,2,0,0,0,0|2,0,0]=4 7728 B16R1.126 N#CCCC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_100011215226 [0,2,0,0,0,0|1,0,1]=4 7729 B16R1.126 N#CCCC(=O)C(C#N)Cc1ccccc1 1458a_100011934036_100000183401 [0,2,0,0,0,0|1,0,1]=4 7730 B16R1.945 CC(CC#N)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100009813641 [0,2,0,0,0,0|1,0,0]=3 7731 B16R1.945 CC(CC#N)C(=O)C(C)Cc1ccccn1 1458a_100012000792_100009813641 [0,2,0,0,0,0|2,0,0]=4 7732 B16R1.945 CC(CC#N)C(=O)C(C)Oc1ccccc1 1458a_100000188414_100009813641 [0,2,0,0,0,0|2,0,0]=4 7733 B16R1.945 CC(CC#N)C(=O)C(C)Sc1ccccc1 1458a_100000199063_100009813641 [0,2,0,0,0,0|2,0,0]=4 7734 B16R1.945 CC(CC#N)C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100009813641 [0,2,0,0,0,0|2,0,0]=4 7735 B16R1.945 CC(CC#N)N(C)C(C)Cc1ccccn1 2230a_200011351704_100009813641 [0,2,0,0,0,0|1,0,0]=3 7736 B16R1.945 CC(CC#N)N(C)C(C)Cc1ccccn1 269982a_200011351704_100009813641 [0,2,0,0,0,0|1,0,0]=3 7737 B16R1.945 CC(CCO)N(C)C(C)Cc1ccccc1 269982a_100000731037_200011218536 [0,2,0,0,0,0|1,0,1]=4 7738 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N 11a_100000748184_100000754839 [0,2,0,0,0,0|2,0,0]=4 7739 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N 1626a_100000748184_100000754839 [0,2,0,0,0,0|2,0,0]=4 7740 B16R1.945 CC(Cc1ccccn1)N(C)C(=O)CC#N 1626a_200011351704_100051588842 [0,2,0,0,0,0|1,0,1]=4 7741 B16R1.945 CC(Cc1ccccn1)N(C)C(=O)CC#N 240690a_200011351704_100051588842 [0,2,0,0,0,0|1,0,1]=4 7742 B16R1.1127 C=C(C#N)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000694840 [0,2,0,0,0,0|1,0,1]=4 7743 B16R1.1127 C=C(C#N)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100000694840 [0,2,0,0,0,0|1,0,1]=4 7744 B16R1.1127 C=C(C#N)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100000694840 [0,2,0,0,0,0|1,0,1]=4 7745 B16R1.1127 CC(C#N)NC(=O)C(C)Cc1ccccc1 11a_100000737613_100000754839 [0,2,0,0,0,0|2,0,0]=4 7746 B16R1.1127 CC(C#N)NC(=O)C(C)Cc1ccccc1 1626a_100000737613_100000754839 [0,2,0,0,0,0|2,0,0]=4 7747 B16R1.1127 CC(C#N)NC(=O)C(C)Cc1ccccc1 527a_100000737613_100000754839 [0,2,0,0,0,0|2,0,0]=4 7748 B16R1.1127 CC(Cc1ccccc1)N(C)CC(O)CO 269982a_100011216503_200011218536 [0,2,0,0,0,0|1,0,1]=4 7749 B16R1.1127 CCC(C)CN(C)C(C)Cc1ccccc1 269982a_100000753921_200011218536 [0,2,0,0,0,0|1,0,1]=4 7750 B16R1.1284 CC(C)CCN(C)C(C)Cc1ccccc1 269982a_100000742789_200011218536 [0,2,0,0,0,0|1,0,1]=4 7751 B16R1.1284 CC(Cc1ccccc1)N(C)CCN(C)C 269982a_100000225618_200011218536 [0,2,0,0,0,0|2,0,0]=4 7752 B16R1.1793 C#CCCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000753159 [0,2,0,0,0,0|2,0,0]=4 7753 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)CCC#N 1458a_100000757416_100011215226 [0,2,0,0,0,0|1,0,0]=3 7754 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000757416 [0,2,0,0,0,0|2,0,0]=4 7755 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)NCC#N 527a_100000734998_100000757416 [0,2,0,0,0,0|2,0,0]=4 7756 B16R1.1793 CC(C)(Oc1ccccc1)C(=O)CCC#N 1458a_100000743201_100011215226 [0,2,0,0,0,0|2,0,0]=4 7757 B16R1.1793 CN(CCC#N)S(=O)(=O)Cc1ccccc1 274078a_100000184479_100000211737 [0,2,0,0,0,0|2,0,0]=4 7758 B16R1.1793 CN(CCC#N)S(=O)(=O)Cc1ccccc1 40a_100000184479_100000235865 [0,2,0,0,0,0|2,0,0]=4 7759 B16R1.4510 CCCCN(CC)C(C)Cc1ccccc1 269982a_100000207695_200011218536 [0,2,0,0,0,0|1,0,1]=4 7760 B16R1.4510 CCN(CCC#N)C(C)C[n+]1ccccc1 270004a_100000226048_100000034229 [0,2,0,0,0,0|1,0,0]=3 7761 B16R1.4510 CCN(CCC#N)C(C)Cc1cccnc1 270004a_100000226048_100015187140 [0,2,0,0,0,0|1,0,0]=3 7762 B16R1.4510 CCN(CCC#N)C(C)Cc1ccncc1 270004a_100000226048_100000238508 [0,2,0,0,0,0|1,0,0]=3 7763 B16R1.4510 CCN(CCC#N)C(C)Cc1cnccn1 270004a_100000226048_100015184882 [0,2,0,0,0,0|2,0,0]=4 7764 B16R1.4510 CCN(CCOC)C(C)Cc1ccccc1 269982a_100000731262_200011218536 [0,2,0,0,0,0|2,0,0]=4 7765 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1Br 270004a_100020639649_100011350739 [0,2,0,0,0,0|1,0,1]=4 7766 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1C 270004a_100020639649_200000764500 [0,2,0,0,0,0|1,0,1]=4 7767 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1Cl 270004a_100020639649_100000758791 [0,2,0,0,0,0|1,0,1]=4 7768 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1F 270004a_100020639649_100000709178 [0,2,0,0,0,0|1,0,1]=4 7769 B16R1.7523 CC(Cc1ccccc1Br)N(C)CCC#N 270004a_100000184479_100011350739 [0,2,0,0,0,0|0,0,0]=2 7770 B16R1.7523 CC(Cc1ccccc1Br)N(C)CCCO 270004a_100000213112_100011350739 [0,2,0,0,0,0|1,0,1]=4 7771 B16R1.7523 CC(Cc1ccccc1Cl)N(C)CCC#N 270004a_100000184479_100000758791 [0,2,0,0,0,0|0,0,0]=2 7772 B16R1.7523 CC(Cc1ccccc1Cl)N(C)CCCO 270004a_100000213112_100000758791 [0,2,0,0,0,0|1,0,1]=4 7773 B16R1.7523 CC(Cc1ccccc1F)N(C)CCC#N 270004a_100000184479_100000709178 [0,2,0,0,0,0|0,0,0]=2 7774 B16R1.7523 CC(Cc1ccccc1F)N(C)CCCO 270004a_100000213112_100000709178 [0,2,0,0,0,0|1,0,1]=4 7775 B16R1.7523 CC(Oc1ccccc1Br)C(=O)CCC#N 1458a_100000246065_100011215226 [0,2,0,0,0,0|2,0,0]=4 7776 B16R1.7523 CC(Oc1ccccc1Cl)C(=O)CCC#N 1458a_100000191201_100011215226 [0,2,0,0,0,0|2,0,0]=4 7777 B16R1.7523 CC(Oc1ccccc1F)C(=O)CCC#N 1458a_100000191191_100011215226 [0,2,0,0,0,0|2,0,0]=4 7778 B16R1.7523 CC(Sc1ccccc1Cl)C(=O)CCC#N 1458a_100000181065_100011215226 [0,2,0,0,0,0|2,0,0]=4 7779 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1Br 270004a_100000207549_100011350739 [0,2,0,0,0,0|1,0,1]=4 7780 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1C 270004a_100000207549_200000764500 [0,2,0,0,0,0|1,0,1]=4 7781 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1Cl 270004a_100000207549_100000758791 [0,2,0,0,0,0|1,0,1]=4 7782 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1F 270004a_100000207549_100000709178 [0,2,0,0,0,0|1,0,1]=4 7783 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Br 11a_100000184479_100000751119 [0,2,0,0,0,0|1,0,1]=4 7784 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Br 240690a_100000184479_100000751119 [0,2,0,0,0,0|1,0,1]=4 7785 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Br 527a_100000184479_100000751119 [0,2,0,0,0,0|1,0,1]=4 7786 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Cl 11a_100000184479_100000183793 [0,2,0,0,0,0|1,0,1]=4 7787 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Cl 1626a_100000184479_100000183793 [0,2,0,0,0,0|1,0,1]=4 7788 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Cl 240690a_100000184479_100000183793 [0,2,0,0,0,0|1,0,1]=4 7789 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Cl 527a_100000184479_100000183793 [0,2,0,0,0,0|1,0,1]=4 7790 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1F 11a_100000184479_100000212012 [0,2,0,0,0,0|1,0,1]=4 7791 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1F 1626a_100000184479_100000212012 [0,2,0,0,0,0|1,0,1]=4 7792 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1F 240690a_100000184479_100000212012 [0,2,0,0,0,0|1,0,1]=4 7793 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1F 527a_100000184479_100000212012 [0,2,0,0,0,0|1,0,1]=4 7794 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1I 11a_100000184479_100000036491 [0,2,0,0,0,0|1,0,1]=4 7795 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1I 1626a_100000184479_100000036491 [0,2,0,0,0,0|1,0,1]=4 7796 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1I 240690a_100000184479_100000036491 [0,2,0,0,0,0|1,0,1]=4 7797 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1I 527a_100000184479_100000036491 [0,2,0,0,0,0|1,0,1]=4 7798 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1O 240690a_100000184479_100000743006 [0,2,0,0,0,0|1,0,1]=4 7799 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1O 527a_100000184479_100000743006 [0,2,0,0,0,0|1,0,1]=4 7800 B16R1.7523 CN(Cc1ccccc1Br)C(=O)CCC#N 11a_100000184654_100011934036 [0,2,0,0,0,0|2,0,0]=4 7801 B16R1.7523 CN(Cc1ccccc1Br)C(=O)CCC#N 1626a_100000184654_100011934036 [0,2,0,0,0,0|2,0,0]=4 7802 B16R1.7523 CN(Cc1ccccc1Br)C(=O)CCC#N 240690a_100000184654_100011934036 [0,2,0,0,0,0|2,0,0]=4 7803 B16R1.7523 CN(Cc1ccccc1Br)C(=O)CCC#N 527a_100000184654_100011934036 [0,2,0,0,0,0|2,0,0]=4 7804 B16R1.7523 CN(Cc1ccccc1Cl)C(=O)CCC#N 11a_100000184507_100011934036 [0,2,0,0,0,0|2,0,0]=4 7805 B16R1.7523 CN(Cc1ccccc1Cl)C(=O)CCC#N 1626a_100000184507_100011934036 [0,2,0,0,0,0|2,0,0]=4 7806 B16R1.7523 CN(Cc1ccccc1Cl)C(=O)CCC#N 240690a_100000184507_100011934036 [0,2,0,0,0,0|2,0,0]=4 7807 B16R1.7523 CN(Cc1ccccc1Cl)C(=O)CCC#N 527a_100000184507_100011934036 [0,2,0,0,0,0|2,0,0]=4 7808 B16R1.7523 CN(Cc1ccccc1F)C(=O)CCC#N 11a_100000742528_100011934036 [0,2,0,0,0,0|2,0,0]=4 7809 B16R1.7523 CN(Cc1ccccc1F)C(=O)CCC#N 1626a_100000742528_100011934036 [0,2,0,0,0,0|2,0,0]=4 7810 B16R1.7523 CN(Cc1ccccc1F)C(=O)CCC#N 240690a_100000742528_100011934036 [0,2,0,0,0,0|2,0,0]=4 7811 B16R1.7523 CN(Cc1ccccc1F)C(=O)CCC#N 527a_100000742528_100011934036 [0,2,0,0,0,0|2,0,0]=4 7812 B16R1.7523 CN(Cc1ccccc1O)C(=O)CCC#N 240690a_100015189988_100011934036 [0,2,0,0,0,0|2,0,0]=4 7813 B16R1.7523 CN(Cc1ccccc1O)C(=O)CCC#N 527a_100015189988_100011934036 [0,2,0,0,0,0|2,0,0]=4 7814 B16R1.7523 COCCN(C)C(C)Cc1ccccc1Br 270004a_100000743101_100011350739 [0,2,0,0,0,0|2,0,0]=4 7815 B16R1.7523 COCCN(C)C(C)Cc1ccccc1C 270004a_100000743101_200000764500 [0,2,0,0,0,0|2,0,0]=4 7816 B16R1.7523 COCCN(C)C(C)Cc1ccccc1Cl 270004a_100000743101_100000758791 [0,2,0,0,0,0|2,0,0]=4 7817 B16R1.7523 COCCN(C)C(C)Cc1ccccc1F 270004a_100000743101_100000709178 [0,2,0,0,0,0|2,0,0]=4 7818 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1Br 270004a_100000686725_100011350739 [0,2,0,0,0,0|2,0,0]=4 7819 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1C 270004a_100000686725_200000764500 [0,2,0,0,0,0|2,0,0]=4 7820 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1Cl 270004a_100000686725_100000758791 [0,2,0,0,0,0|2,0,0]=4 7821 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1F 270004a_100000686725_100000709178 [0,2,0,0,0,0|2,0,0]=4 7822 B16R1.7523 Cc1ccccc1CC(=O)N(C)CCC#N 11a_100000184479_100000212180 [0,2,0,0,0,0|1,0,1]=4 7823 B16R1.7523 Cc1ccccc1CC(=O)N(C)CCC#N 1626a_100000184479_100000212180 [0,2,0,0,0,0|1,0,1]=4 7824 B16R1.7523 Cc1ccccc1CC(=O)N(C)CCC#N 240690a_100000184479_100000212180 [0,2,0,0,0,0|1,0,1]=4 7825 B16R1.7523 Cc1ccccc1CC(=O)N(C)CCC#N 527a_100000184479_100000212180 [0,2,0,0,0,0|1,0,1]=4 7826 B16R1.7523 Cc1ccccc1CC(C)N(C)CCC#N 270004a_100000184479_200000764500 [0,2,0,0,0,0|0,0,0]=2 7827 B16R1.7523 Cc1ccccc1CC(C)N(C)CCCO 270004a_100000213112_200000764500 [0,2,0,0,0,0|1,0,1]=4 7828 B16R1.7523 Cc1ccccc1CN(C)C(=O)CCC#N 1626a_100000184421_100011934036 [0,2,0,0,0,0|2,0,0]=4 7829 B16R1.7523 Cc1ccccc1CN(C)C(=O)CCC#N 240690a_100000184421_100011934036 [0,2,0,0,0,0|2,0,0]=4 7830 B16R1.7523 Cc1ccccc1CN(C)C(=O)CCC#N 527a_100000184421_100011934036 [0,2,0,0,0,0|2,0,0]=4 7831 B16R1.7523 Cc1ccccc1OC(C)C(=O)CCC#N 1458a_100000189243_100011215226 [0,2,0,0,0,0|2,0,0]=4 7832 B16R1.7523 Cc1cccnc1CC(C)N(C)CCC#N 270004a_100000184479_100011823981 [0,2,0,0,0,0|1,0,0]=3 7833 B16R1.7523 N#CCCC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_100011215226 [0,2,0,0,0,0|2,0,0]=4 7834 B16R1.7523 N#CCCC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_100011215226 [0,2,0,0,0,0|2,0,0]=4 7835 B16R1.177 C#CCC(CC)OC(C)Cc1ccccc1 34a_200011217983_200011218536 [0,2,0,0,0,0|2,0,0]=4 7836 B16R1.177 C#CCC(CC)OC(C)Cc1ccccc1 7a_200011217983_200011218536 [0,2,0,0,0,0|2,0,0]=4 7837 B16R1.177 CCC[C@@H](CO)NC(C)Cc1ccccc1 34a_100000732646_200011218536 [0,2,0,0,0,0|1,0,1]=4 7838 B16R1.177 CC[C@H](CC#N)NC(C)C[n+]1ccccc1 270004a_200009818565_100000034229 [0,2,0,0,0,0|1,0,0]=3 7839 B16R1.177 CC[C@H](CC#N)NC(C)Cc1cccnc1 270004a_200009818565_100015187140 [0,2,0,0,0,0|1,0,0]=3 7840 B16R1.177 CC[C@H](CC#N)NC(C)Cc1ccncc1 270004a_200009818565_100000238508 [0,2,0,0,0,0|1,0,0]=3 7841 B16R1.177 CC[C@H](CC#N)NC(C)Cc1cnccn1 270004a_200009818565_100015184882 [0,2,0,0,0,0|2,0,0]=4 7842 B16R1.177 COCC(CO)NC(C)Cc1ccccc1 34a_100000724102_200011218536 [0,2,0,0,0,0|2,0,0]=4 7843 B16R1.936 C#CC(Cc1ccccc1)OC(C)CC#N 7a_100000685211_100009813641 [0,2,0,0,0,0|1,0,1]=4 7844 B16R1.936 C#CCC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100011220946 [0,2,0,0,0,0|1,0,1]=4 7845 B16R1.936 CC(CC#N)NC(C#N)Cc1ccccc1 2230a_100000746547_100009813641 [0,2,0,0,0,0|0,0,1]=3 7846 B16R1.936 CC(CC#N)NC(CO)Cc1ccccc1 2230a_100000739027_100009813641 [0,2,0,0,0,0|0,0,0]=2 7847 B16R1.936 CC(CC#N)NC(CO)Cc1cccnc1 2230a_100000717814_100009813641 [0,2,0,0,0,0|1,0,0]=3 7848 B16R1.936 CC(CC#N)NC(CO)Cc1ccncc1 2230a_100000717866_100009813641 [0,2,0,0,0,0|1,0,0]=3 7849 B16R1.936 CC(CC#N)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100009813641 [0,2,0,0,0,0|1,0,0]=3 7850 B16R1.936 CC(CC#N)SC(C#N)Cc1ccccc1 62a_100000183401_100009813641 [0,2,0,0,0,0|1,0,1]=4 7851 B16R1.936 CC(CC#N)SC(C#N)Cc1ccccc1 62a_100009813641_100000183401 [0,2,0,0,0,0|1,0,1]=4 7852 B16R1.936 CC(CCO)NC(CO)Cc1ccccc1 2230a_100000739027_100009893172 [0,2,0,0,0,0|1,0,1]=4 7853 B16R1.936 CCC(Cc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000212045 [0,2,0,0,0,0|1,0,1]=4 7854 B16R1.936 CCC(Cc1ccccc1)N[C@H](C)COC 270004a_100000764878_100000212045 [0,2,0,0,0,0|2,0,0]=4 7855 B16R1.936 CCC(Cc1ccccc1)OC(C)CC#N 7a_100000760156_100009813641 [0,2,0,0,0,0|1,0,0]=3 7856 B16R1.936 CCCC(C)NC(CC)Cc1ccccc1 270004a_100000741246_100000212045 [0,2,0,0,0,0|1,0,1]=4 7857 B16R1.936 CCCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000766640 [0,2,0,0,0,0|1,0,1]=4 7858 B16R1.936 CCCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100000211909 [0,2,0,0,0,0|1,0,1]=4 7859 B16R1.936 CCN(Cc1ccccc1)C[C@@H](O)CC#N 2230a_100000186914_100000001066 [0,2,0,0,0,0|2,0,0]=4 7860 B16R1.936 COCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000765312 [0,2,0,0,0,0|2,0,0]=4 7861 B16R1.936 COCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100000749346 [0,2,0,0,0,0|2,0,0]=4 7862 B16R1.936 CSCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100011216314 [0,2,0,0,0,0|2,0,0]=4 7863 B16R1.936 N#CCC(=O)NC(C#N)Cc1ccccc1 1626a_100000746547_100051588842 [0,2,0,0,0,0|0,0,2]=4 7864 B16R1.936 N#CCC(=O)NC(C#N)Cc1ccccc1 240690a_100000746547_100051588842 [0,2,0,0,0,0|0,0,2]=4 7865 B16R1.936 N#CCC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100051588842 [0,2,0,0,0,0|0,0,1]=3 7866 B16R1.936 N#CCC(=O)NC(CO)Cc1cccnc1 240690a_100000717814_100051588842 [0,2,0,0,0,0|1,0,1]=4 7867 B16R1.936 N#CCC(=O)NC(CO)Cc1ccncc1 240690a_100000717866_100051588842 [0,2,0,0,0,0|1,0,1]=4 7868 B16R1.1660 CC(Cc1ccccn1)NC(=O)C(C)C#N 11a_100000238496_100000753662 [0,2,0,0,0,0|1,0,1]=4 7869 B16R1.1660 CC(Cc1ccccn1)NC(=O)C(C)C#N 1626a_100000238496_100000753662 [0,2,0,0,0,0|1,0,1]=4 7870 B16R1.1660 CC(Cc1ccccn1)NC(=O)C(C)C#N 240690a_100000238496_100000753662 [0,2,0,0,0,0|1,0,1]=4 7871 B16R1.1660 CC(Cc1ccccn1)NC(=O)C(C)C#N 527a_100000238496_100000753662 [0,2,0,0,0,0|1,0,1]=4 7872 B16R1.1660 CC(Cc1cccnc1)NC(=O)C(C)C#N 11a_100011207255_100000753662 [0,2,0,0,0,0|1,0,1]=4 7873 B16R1.1660 CC(Cc1cccnc1)NC(=O)C(C)C#N 1626a_100011207255_100000753662 [0,2,0,0,0,0|1,0,1]=4 7874 B16R1.1660 CC(Cc1cccnc1)NC(=O)C(C)C#N 240690a_100011207255_100000753662 [0,2,0,0,0,0|1,0,1]=4 7875 B16R1.1660 CC(Cc1cccnc1)NC(=O)C(C)C#N 527a_100011207255_100000753662 [0,2,0,0,0,0|1,0,1]=4 7876 B16R1.2180 CC(CC#N)OC(C)(C)Cc1ccccc1 7a_100011215222_100009813641 [0,2,0,0,0,0|1,0,0]=3 7877 B16R1.2180 C[C@@H](CC#N)NS(=O)(=O)Cc1ccccc1 274078a_100016994482_100000211737 [0,2,0,0,0,0|2,0,0]=4 7878 B16R1.2180 C[C@@H](CC#N)NS(=O)(=O)Cc1ccccc1 40a_100016994482_100000235865 [0,2,0,0,0,0|2,0,0]=4 7879 B16R1.3991 CSCC(C)(C)NC(C)Cc1ccccc1 7a_100000759623_200011218536 [0,2,0,0,0,0|2,0,0]=4 7880 B16R1.4235 CC(Cc1ccccc1Br)N[C@H](C)CCO 270004a_100000706166_100011350739 [0,2,0,0,0,0|1,0,1]=4 7881 B16R1.4235 CC(Cc1ccccc1Cl)N[C@H](C)CCO 270004a_100000706166_100000758791 [0,2,0,0,0,0|1,0,1]=4 7882 B16R1.4235 CC(Cc1ccccc1F)N[C@H](C)CCO 270004a_100000706166_100000709178 [0,2,0,0,0,0|1,0,1]=4 7883 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1Br 270004a_100000741246_100011350739 [0,2,0,0,0,0|1,0,1]=4 7884 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1C 270004a_100000741246_200000764500 [0,2,0,0,0,0|1,0,1]=4 7885 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1Cl 270004a_100000741246_100000758791 [0,2,0,0,0,0|1,0,1]=4 7886 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1F 270004a_100000741246_100000709178 [0,2,0,0,0,0|1,0,1]=4 7887 B16R1.4235 CN(Cc1ccccc1Br)C[C@@H](O)CC#N 2230a_100000184654_100000001066 [0,2,0,0,0,0|2,0,0]=4 7888 B16R1.4235 CN(Cc1ccccc1Cl)C[C@@H](O)CC#N 2230a_100000184507_100000001066 [0,2,0,0,0,0|2,0,0]=4 7889 B16R1.4235 CN(Cc1ccccc1F)C[C@@H](O)CC#N 2230a_100000742528_100000001066 [0,2,0,0,0,0|2,0,0]=4 7890 B16R1.4235 CN(Cc1ccccc1O)C[C@@H](O)CC#N 2230a_100015189988_100000001066 [0,2,0,0,0,0|2,0,0]=4 7891 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1Br 270004a_100000764878_100011350739 [0,2,0,0,0,0|2,0,0]=4 7892 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1C 270004a_100000764878_200000764500 [0,2,0,0,0,0|2,0,0]=4 7893 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1Cl 270004a_100000764878_100000758791 [0,2,0,0,0,0|2,0,0]=4 7894 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1F 270004a_100000764878_100000709178 [0,2,0,0,0,0|2,0,0]=4 7895 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Br 11a_100016994482_100000751119 [0,2,0,0,0,0|1,0,1]=4 7896 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Br 240690a_100016994482_100000751119 [0,2,0,0,0,0|1,0,1]=4 7897 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Br 527a_100016994482_100000751119 [0,2,0,0,0,0|1,0,1]=4 7898 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Cl 11a_100016994482_100000183793 [0,2,0,0,0,0|1,0,1]=4 7899 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Cl 1626a_100016994482_100000183793 [0,2,0,0,0,0|1,0,1]=4 7900 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Cl 240690a_100016994482_100000183793 [0,2,0,0,0,0|1,0,1]=4 7901 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Cl 527a_100016994482_100000183793 [0,2,0,0,0,0|1,0,1]=4 7902 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1F 11a_100016994482_100000212012 [0,2,0,0,0,0|1,0,1]=4 7903 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1F 1626a_100016994482_100000212012 [0,2,0,0,0,0|1,0,1]=4 7904 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1F 240690a_100016994482_100000212012 [0,2,0,0,0,0|1,0,1]=4 7905 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1F 527a_100016994482_100000212012 [0,2,0,0,0,0|1,0,1]=4 7906 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1I 11a_100016994482_100000036491 [0,2,0,0,0,0|1,0,1]=4 7907 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1I 1626a_100016994482_100000036491 [0,2,0,0,0,0|1,0,1]=4 7908 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1I 240690a_100016994482_100000036491 [0,2,0,0,0,0|1,0,1]=4 7909 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1I 527a_100016994482_100000036491 [0,2,0,0,0,0|1,0,1]=4 7910 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1O 240690a_100016994482_100000743006 [0,2,0,0,0,0|1,0,1]=4 7911 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1O 527a_100016994482_100000743006 [0,2,0,0,0,0|1,0,1]=4 7912 B16R1.4235 Cc1ccccc1CC(=O)N[C@@H](C)CC#N 11a_100016994482_100000212180 [0,2,0,0,0,0|1,0,1]=4 7913 B16R1.4235 Cc1ccccc1CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000212180 [0,2,0,0,0,0|1,0,1]=4 7914 B16R1.4235 Cc1ccccc1CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000212180 [0,2,0,0,0,0|1,0,1]=4 7915 B16R1.4235 Cc1ccccc1CC(=O)N[C@@H](C)CC#N 527a_100016994482_100000212180 [0,2,0,0,0,0|1,0,1]=4 7916 B16R1.4235 Cc1ccccc1CC(C)N[C@H](C)CCO 270004a_100000706166_200000764500 [0,2,0,0,0,0|1,0,1]=4 7917 B16R1.4235 Cc1ccccc1CN(C)C[C@@H](O)CC#N 2230a_100000184421_100000001066 [0,2,0,0,0,0|2,0,0]=4 7918 B16R1.360 CC(COC(C)(C)C#N)Cc1ccccc1 34a_100012125295_100011162410 [0,2,0,0,0,0|2,0,0]=4 7919 B16R1.360 CC(COC(C)(C)C#N)Cc1ccccc1 7a_100012125295_100011162410 [0,2,0,0,0,0|2,0,0]=4 7920 B16R1.4132 CC(Cc1ccccc1)NCC(C)C(=O)O 269956a_100000749485_200011218536 [0,2,0,0,0,0|1,0,1]=4 7921 B16R1.4132 CC(Cc1ccccc1)NCC(F)C(=O)O 269956a_100000084737_200011218536 [0,2,0,0,0,0|1,0,1]=4 7922 B16R1.4132 CC(Cc1ccccc1)NCC(O)C(C)C 34a_100000759067_200011218536 [0,2,0,0,0,0|1,0,1]=4 7923 B16R1.4400 C=C(C#N)CNC(C#N)Cc1ccccc1 2230a_100000746547_100000694840 [0,2,0,0,0,0|0,0,2]=4 7924 B16R1.4400 C=C(C#N)CNC(CO)Cc1ccccc1 2230a_100000739027_100000694840 [0,2,0,0,0,0|0,0,1]=3 7925 B16R1.4400 C=C(C#N)CNC(CO)Cc1cccnc1 2230a_100000717814_100000694840 [0,2,0,0,0,0|1,0,1]=4 7926 B16R1.4400 C=C(C#N)CNC(CO)Cc1ccncc1 2230a_100000717866_100000694840 [0,2,0,0,0,0|1,0,1]=4 7927 B16R1.4400 C=C(C#N)COC(CN)Cc1ccccc1 34a_100000752270_100000694840 [0,2,0,0,0,0|1,0,1]=4 7928 B16R1.4400 C=CC(O)CNC(CO)Cc1ccccc1 2230a_100000739027_100000730141 [0,2,0,0,0,0|1,0,1]=4 7929 B16R1.4400 CCC(C)CNC(CC)Cc1ccccc1 270004a_100020588543_100000212045 [0,2,0,0,0,0|1,0,1]=4 7930 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 2230a_100000739027_100000748023 [0,2,0,0,0,0|1,0,1]=4 7931 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 270004a_100000739027_100000243153 [0,2,0,0,0,0|1,0,1]=4 7932 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](C)OC 270004a_100020591295_100000212045 [0,2,0,0,0,0|2,0,0]=4 7933 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000212045 [0,2,0,0,0,0|1,0,1]=4 7934 B16R1.4400 CCC(O)CNC(CC)Cc1ccccc1 270004a_100011218483_100000212045 [0,2,0,0,0,0|1,0,1]=4 7935 B16R1.4400 CCC(O)CNC(CO)Cc1ccccc1 2230a_100000739027_100011218378 [0,2,0,0,0,0|1,0,1]=4 7936 B16R1.4400 CC[C@H](C)CNC(CO)Cc1ccccc1 2230a_100000739027_100009816398 [0,2,0,0,0,0|1,0,1]=4 7937 B16R1.4400 C[C@@H](CO)CNC(CO)Cc1ccccc1 2230a_100000739027_100000059175 [0,2,0,0,0,0|1,0,1]=4 7938 B16R1.4400 OCC(Cc1ccccc1)NC[C@@H](O)CF 2230a_100000739027_100015614560 [0,2,0,0,0,0|1,0,1]=4 7939 B16R1.4400 OCC(Cc1ccccc1)NC[C@@H](O)CO 2230a_100000739027_100009815848 [0,2,0,0,0,0|1,0,1]=4 7940 B16R1.4400 OCC(O)CNC(CO)Cc1ccccc1 2230a_100000739027_100011219619 [0,2,0,0,0,0|1,0,1]=4 7941 B16R1.7458 CC(Cc1ccccc1Br)NC[C@@H](F)CO 270004a_100015665980_100011350739 [0,2,0,0,0,0|1,0,1]=4 7942 B16R1.7458 CC(Cc1ccccc1Cl)NC[C@@H](F)CO 270004a_100015665980_100000758791 [0,2,0,0,0,0|1,0,1]=4 7943 B16R1.7458 CC(Cc1ccccc1F)NC[C@@H](F)CO 270004a_100015665980_100000709178 [0,2,0,0,0,0|1,0,1]=4 7944 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1Br 270004a_100020588543_100011350739 [0,2,0,0,0,0|1,0,1]=4 7945 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1C 270004a_100020588543_200000764500 [0,2,0,0,0,0|1,0,1]=4 7946 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1Cl 270004a_100020588543_100000758791 [0,2,0,0,0,0|1,0,1]=4 7947 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1F 270004a_100020588543_100000709178 [0,2,0,0,0,0|1,0,1]=4 7948 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1Br 270004a_100011218483_100011350739 [0,2,0,0,0,0|1,0,1]=4 7949 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1C 270004a_100011218483_200000764500 [0,2,0,0,0,0|1,0,1]=4 7950 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1Cl 270004a_100011218483_100000758791 [0,2,0,0,0,0|1,0,1]=4 7951 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1F 270004a_100011218483_100000709178 [0,2,0,0,0,0|1,0,1]=4 7952 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1Br 270004a_100020591295_100011350739 [0,2,0,0,0,0|2,0,0]=4 7953 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1C 270004a_100020591295_200000764500 [0,2,0,0,0,0|2,0,0]=4 7954 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1Cl 270004a_100020591295_100000758791 [0,2,0,0,0,0|2,0,0]=4 7955 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1F 270004a_100020591295_100000709178 [0,2,0,0,0,0|2,0,0]=4 7956 B16R1.7458 Cc1ccccc1CC(C)NC[C@@H](F)CO 270004a_100015665980_200000764500 [0,2,0,0,0,0|1,0,1]=4 7957 B16R1.1438 C#CCCNC(COC)Cc1ccccc1 2230a_100000766165_100000688953 [0,2,0,0,0,0|1,0,0]=3 7958 B16R1.1438 C#CCN(CCCC#N)Cc1ccccc1 2230a_100000730907_100000687738 [0,2,0,0,0,0|2,0,0]=4 7959 B16R1.1438 C#CCN(CCCC#N)Cc1ccccc1 269982a_100000730907_100000687738 [0,2,0,0,0,0|2,0,0]=4 7960 B16R1.1438 C=CCCNC(COC)Cc1ccccc1 2230a_100000766165_100000754431 [0,2,0,0,0,0|1,0,1]=4 7961 B16R1.1438 C=CCN(CCCC#N)Cc1ccccc1 2230a_100000196212_100000687738 [0,2,0,0,0,0|2,0,0]=4 7962 B16R1.1438 C=CCN(CCCC#N)Cc1ccccc1 269982a_100000196212_100000687738 [0,2,0,0,0,0|2,0,0]=4 7963 B16R1.1438 CC#CCNC(COC)Cc1ccccc1 2230a_100000766165_100000748600 [0,2,0,0,0,0|1,0,1]=4 7964 B16R1.1438 CCCCNC(COC)Cc1ccccc1 2230a_100000766165_100000210211 [0,2,0,0,0,0|1,0,1]=4 7965 B16R1.1438 CCCN(CCCC#N)Cc1ccccc1 2230a_100000184400_100000687738 [0,2,0,0,0,0|2,0,0]=4 7966 B16R1.1438 CCCN(CCCC#N)Cc1ccccc1 269982a_100000184400_100000687738 [0,2,0,0,0,0|2,0,0]=4 7967 B16R1.1438 COCC(Cc1ccccc1)NCCC#N 2230a_100000766165_100011215226 [0,2,0,0,0,0|0,0,0]=2 7968 B16R1.1438 COCC(Cc1ccccc1)NCCCF 2230a_100000766165_100011934791 [0,2,0,0,0,0|1,0,1]=4 7969 B16R1.1438 COCC(Cc1ccccc1)NCCCO 2230a_100000766165_100000230001 [0,2,0,0,0,0|1,0,1]=4 7970 B16R1.1438 COCC(Cc1ccccc1)NCCSC 2230a_100000766165_100000751147 [0,2,0,0,0,0|2,0,0]=4 7971 B16R1.1438 COCCNC(COC)Cc1ccccc1 2230a_100000766165_100011201679 [0,2,0,0,0,0|2,0,0]=4 7972 B16R1.1438 N#CCCCN(CC#N)Cc1ccccc1 2230a_100000743013_100000687738 [0,2,0,0,0,0|2,0,0]=4 7973 B16R1.1438 N#CCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000687738 [0,2,0,0,0,0|2,0,0]=4 7974 B16R1.1438 N#CCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000687738 [0,2,0,0,0,0|2,0,0]=4 7975 B16R1.1759 C#CCCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000688953 [0,2,0,0,0,0|1,0,1]=4 7976 B16R1.1759 C#CCCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000688953 [0,2,0,0,0,0|1,0,1]=4 7977 B16R1.1759 C=CCCNC(Cc1ccccc1)C(C)C 270004a_100015191253_200000703227 [0,2,0,0,0,0|1,0,1]=4 7978 B16R1.1759 CC(C)C(Cc1ccccc1)NCCC#N 270004a_100000720768_200000703227 [0,2,0,0,0,0|0,0,0]=2 7979 B16R1.1759 CC(C)C(Cc1ccccc1)NCCCF 270004a_100015189416_200000703227 [0,2,0,0,0,0|1,0,1]=4 7980 B16R1.1759 CC(C)C(Cc1ccccc1)NCCCO 270004a_100000182051_200000703227 [0,2,0,0,0,0|1,0,1]=4 7981 B16R1.1759 CC(C)N(CCCC#N)Cc1ccccc1 2230a_100000068392_100000687738 [0,2,0,0,0,0|2,0,0]=4 7982 B16R1.1759 CC(C)N(CCCC#N)Cc1ccccc1 269982a_100000068392_100000687738 [0,2,0,0,0,0|2,0,0]=4 7983 B16R1.1759 CCCCNC(Cc1ccccc1)C(C)C 270004a_100000102301_200000703227 [0,2,0,0,0,0|1,0,1]=4 7984 B16R1.1759 COCCNC(Cc1ccccc1)C(C)C 270004a_100000209980_200000703227 [0,2,0,0,0,0|2,0,0]=4 7985 B16R1.1759 CSCCNC(Cc1ccccc1)C(C)C 270004a_100020590264_200000703227 [0,2,0,0,0,0|2,0,0]=4 7986 B16R1.1759 N#CCCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100011215226 [0,2,0,0,0,0|0,0,1]=3 7987 B16R1.3379 C=C(C)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000730704 [0,2,0,0,0,0|1,0,1]=4 7988 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210312 [0,2,0,0,0,0|1,0,1]=4 7989 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 269862a_100000739027_100000185833 [0,2,0,0,0,0|1,0,1]=4 7990 B16R1.3379 CC(O)CCNC(CO)Cc1ccccc1 2230a_100000739027_100012276601 [0,2,0,0,0,0|1,0,1]=4 7991 B16R1.3379 CCC(Cc1ccccc1)NCCC(C)C 270004a_100000210545_100000212045 [0,2,0,0,0,0|1,0,1]=4 7992 B16R1.3379 CCC(Cc1ccccc1)NCCC(C)O 270004a_200000755665_100000212045 [0,2,0,0,0,0|1,0,1]=4 7993 B16R1.3379 CCC(Cc1ccccc1)NCCN(C)C 270004a_100000210585_100000212045 [0,2,0,0,0,0|2,0,0]=4 7994 B16R1.3379 NC(=O)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000744528 [0,2,0,0,0,0|0,0,2]=4 7995 B16R1.3677 C#CCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000688953 [0,2,0,0,0,0|1,0,0]=3 7996 B16R1.3677 C#CCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000688953 [0,2,0,0,0,0|1,0,0]=3 7997 B16R1.3677 C=CCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000754431 [0,2,0,0,0,0|1,0,1]=4 7998 B16R1.3677 C=CCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000754431 [0,2,0,0,0,0|1,0,1]=4 7999 B16R1.3677 CC#CCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000748600 [0,2,0,0,0,0|1,0,1]=4 8000 B16R1.3677 CC#CCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000748600 [0,2,0,0,0,0|1,0,1]=4 8001 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000210211 [0,2,0,0,0,0|1,0,1]=4 8002 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000210210 [0,2,0,0,0,0|1,0,1]=4 8003 B16R1.3677 CCN(CCCC#N)Cc1ccccc1C 2230a_100000201206_100000687738 [0,2,0,0,0,0|2,0,0]=4 8004 B16R1.3677 CCN(CCCC#N)Cc1ccccc1C 269982a_100000201206_100000687738 [0,2,0,0,0,0|2,0,0]=4 8005 B16R1.3677 CCN(CCCC#N)Cc1ccccc1Cl 2230a_100000201176_100000687738 [0,2,0,0,0,0|2,0,0]=4 8006 B16R1.3677 CCN(CCCC#N)Cc1ccccc1Cl 269982a_100000201176_100000687738 [0,2,0,0,0,0|2,0,0]=4 8007 B16R1.3677 CCN(CCCC#N)Cc1ccccc1F 2230a_100015186831_100000687738 [0,2,0,0,0,0|2,0,0]=4 8008 B16R1.3677 CCN(CCCC#N)Cc1ccccc1F 269982a_100015186831_100000687738 [0,2,0,0,0,0|2,0,0]=4 8009 B16R1.3677 CCN(CCCC#N)Cc1ccccc1O 2230a_100011223546_100000687738 [0,2,0,0,0,0|2,0,0]=4 8010 B16R1.3677 CCN(CCCC#N)Cc1ccccc1O 269982a_100011223546_100000687738 [0,2,0,0,0,0|2,0,0]=4 8011 B16R1.3677 COCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100011201679 [0,2,0,0,0,0|2,0,0]=4 8012 B16R1.3677 COCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100011201679 [0,2,0,0,0,0|2,0,0]=4 8013 B16R1.3677 CSCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000751147 [0,2,0,0,0,0|2,0,0]=4 8014 B16R1.3677 CSCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000212216 [0,2,0,0,0,0|2,0,0]=4 8015 B16R1.3677 N#CCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100011215226 [0,2,0,0,0,0|0,0,0]=2 8016 B16R1.3677 OCC(Cc1ccccc1Cl)NCCCF 2230a_100012001541_100011934791 [0,2,0,0,0,0|1,0,1]=4 8017 B16R1.3677 OCC(Cc1ccccc1Cl)NCCCF 34a_100012001541_100011934791 [0,2,0,0,0,0|1,0,1]=4 8018 B16R1.3677 OCCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000230001 [0,2,0,0,0,0|1,0,1]=4 8019 B16R1.3677 OCCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000230001 [0,2,0,0,0,0|1,0,1]=4 8020 B16R1.20514 C#CCCOC(C)(CC)Cc1ccccc1 7a_100011346069_100000688953 [0,2,0,0,0,0|2,0,0]=4 8021 B16R1.20514 CCC(C)(Cc1ccccc1)OCCC#N 7a_100011346069_100000184422 [0,2,0,0,0,0|1,0,0]=3 8022 B16R1.7414 CC(C)CCNC(C)Cc1ccccc1Br 270004a_100000210545_100011350739 [0,2,0,0,0,0|1,0,1]=4 8023 B16R1.7414 CC(C)CCNC(C)Cc1ccccc1Cl 270004a_100000210545_100000758791 [0,2,0,0,0,0|1,0,1]=4 8024 B16R1.7414 CC(C)CCNC(C)Cc1ccccc1F 270004a_100000210545_100000709178 [0,2,0,0,0,0|1,0,1]=4 8025 B16R1.7414 CC(Cc1ccccc1Br)NCCN(C)C 270004a_100000210585_100011350739 [0,2,0,0,0,0|2,0,0]=4 8026 B16R1.7414 CC(Cc1ccccc1Cl)NCCN(C)C 270004a_100000210585_100000758791 [0,2,0,0,0,0|2,0,0]=4 8027 B16R1.7414 CC(Cc1ccccc1F)NCCN(C)C 270004a_100000210585_100000709178 [0,2,0,0,0,0|2,0,0]=4 8028 B16R1.7414 CC(O)CCNC(C)Cc1ccccc1Br 270004a_200000755665_100011350739 [0,2,0,0,0,0|1,0,1]=4 8029 B16R1.7414 CC(O)CCNC(C)Cc1ccccc1Cl 270004a_200000755665_100000758791 [0,2,0,0,0,0|1,0,1]=4 8030 B16R1.7414 CC(O)CCNC(C)Cc1ccccc1F 270004a_200000755665_100000709178 [0,2,0,0,0,0|1,0,1]=4 8031 B16R1.7414 Cc1ccccc1CC(C)NCCC(C)C 270004a_100000210545_200000764500 [0,2,0,0,0,0|1,0,1]=4 8032 B16R1.7414 Cc1ccccc1CC(C)NCCC(C)O 270004a_200000755665_200000764500 [0,2,0,0,0,0|1,0,1]=4 8033 B16R1.7414 Cc1ccccc1CC(C)NCCN(C)C 270004a_100000210585_200000764500 [0,2,0,0,0,0|2,0,0]=4 8034 B16R1.59031 CC(Cc1ccccc1)NCCC(F)(F)F 34a_100000740434_200011218536 [0,2,0,0,0,0|1,0,1]=4 8035 B16R1.59031 CC(Cc1ccccc1)NCCS(=O)(=O)C 34a_100000740961_200011218536 [0,2,0,0,0,0|2,0,0]=4 8036 B16R1.59031 CC(Cc1ccccc1)NCCS(=O)(=O)N 34a_100000738205_200011218536 [0,2,0,0,0,0|1,0,1]=4 8037 B16R1.4818 C#CCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000688953 [0,2,0,0,0,0|1,0,0]=3 8038 B16R1.4818 C#CCCOC(C)(C)Cc1ccccc1Cl 7a_100000751322_100000688953 [0,2,0,0,0,0|2,0,0]=4 8039 B16R1.4818 C#CCCOC(C)(C)Cc1ccccc1F 34a_100011350413_100000688953 [0,2,0,0,0,0|2,0,0]=4 8040 B16R1.4818 C#CCCOC(C)(C)Cc1ccccc1F 7a_100011350413_100000688953 [0,2,0,0,0,0|2,0,0]=4 8041 B16R1.4818 C=CCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000754431 [0,2,0,0,0,0|1,0,1]=4 8042 B16R1.4818 CC#CCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000748600 [0,2,0,0,0,0|1,0,1]=4 8043 B16R1.4818 CC(C)(Cc1ccccc1Br)NCCC#N 2230a_100161000475_100011215226 [0,2,0,0,0,0|0,0,0]=2 8044 B16R1.4818 CC(C)(Cc1ccccc1Br)NCCCF 2230a_100161000475_100011934791 [0,2,0,0,0,0|1,0,1]=4 8045 B16R1.4818 CC(C)(Cc1ccccc1Br)NCCCO 2230a_100161000475_100000230001 [0,2,0,0,0,0|1,0,1]=4 8046 B16R1.4818 CC(C)(Cc1ccccc1Cl)OCCC#N 7a_100000751322_100000184422 [0,2,0,0,0,0|1,0,0]=3 8047 B16R1.4818 CC(C)(Cc1ccccc1F)OCCC#N 7a_100011350413_100000184422 [0,2,0,0,0,0|1,0,0]=3 8048 B16R1.4818 CCCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000210211 [0,2,0,0,0,0|1,0,1]=4 8049 B16R1.4818 COCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100011201679 [0,2,0,0,0,0|2,0,0]=4 8050 B16R1.4818 CSCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000751147 [0,2,0,0,0,0|2,0,0]=4 8051 B16R1.4818 Cc1ccccc1CS(=O)(=O)NCCC#N 274078a_100000720768_100000750338 [0,2,0,0,0,0|2,0,0]=4 8052 B16R1.4818 N#CCCNS(=O)(=O)Cc1ccccc1Br 274078a_100000720768_100000765529 [0,2,0,0,0,0|2,0,0]=4 8053 B16R1.4818 N#CCCNS(=O)(=O)Cc1ccccc1Cl 274078a_100000720768_100000750118 [0,2,0,0,0,0|2,0,0]=4 8054 B16R1.4818 N#CCCNS(=O)(=O)Cc1ccccc1F 274078a_100000720768_100000739656 [0,2,0,0,0,0|2,0,0]=4 8055 B16R1.7391 C#CCCOC(C)Cc1ccccc1OC 7a_100000691916_100000688953 [0,2,0,0,0,0|2,0,0]=4 8056 B16R1.7391 C=CCCNC(C)Cc1ccccc1OC 270004a_100015191253_100000211486 [0,2,0,0,0,0|1,0,1]=4 8057 B16R1.7391 CCCCNC(C)Cc1ccccc1OC 270004a_100000102301_100000211486 [0,2,0,0,0,0|1,0,1]=4 8058 B16R1.7391 CN(CCCC#N)Cc1ccccc1C#N 2230a_100000225633_100000687738 [0,2,0,0,0,0|2,0,0]=4 8059 B16R1.7391 CN(CCCC#N)Cc1ccccc1C#N 269982a_100000225633_100000687738 [0,2,0,0,0,0|2,0,0]=4 8060 B16R1.7391 CN(CCCC#N)Cc1ccccc1CO 2230a_100000044721_100000687738 [0,2,0,0,0,0|2,0,0]=4 8061 B16R1.7391 CN(CCCC#N)Cc1ccccc1CO 269982a_100000044721_100000687738 [0,2,0,0,0,0|2,0,0]=4 8062 B16R1.7391 COCCNC(C)Cc1ccccc1OC 270004a_100000209980_100000211486 [0,2,0,0,0,0|2,0,0]=4 8063 B16R1.7391 COc1ccccc1CC(=O)NCCC#N 11a_100000720768_100000211604 [0,2,0,0,0,0|1,0,1]=4 8064 B16R1.7391 COc1ccccc1CC(=O)NCCC#N 1626a_100000720768_100000211604 [0,2,0,0,0,0|1,0,1]=4 8065 B16R1.7391 COc1ccccc1CC(=O)NCCC#N 240690a_100000720768_100000211604 [0,2,0,0,0,0|1,0,1]=4 8066 B16R1.7391 COc1ccccc1CC(=O)NCCC#N 527a_100000720768_100000211604 [0,2,0,0,0,0|1,0,1]=4 8067 B16R1.7391 COc1ccccc1CC(C)NCCC#N 270004a_100000720768_100000211486 [0,2,0,0,0,0|0,0,0]=2 8068 B16R1.7391 COc1ccccc1CC(C)NCCCF 270004a_100015189416_100000211486 [0,2,0,0,0,0|1,0,1]=4 8069 B16R1.7391 COc1ccccc1CC(C)NCCCO 270004a_100000182051_100000211486 [0,2,0,0,0,0|1,0,1]=4 8070 B16R1.7391 COc1ccccc1CC(C)NCCSC 270004a_100020590264_100000211486 [0,2,0,0,0,0|2,0,0]=4 8071 B16R1.7391 COc1ccccc1CC(C)OCCC#N 7a_100000691916_100000184422 [0,2,0,0,0,0|1,0,0]=3 8072 B16R1.7391 COc1ccccc1CN(C)CCCC#N 2230a_100000184376_100000687738 [0,2,0,0,0,0|2,0,0]=4 8073 B16R1.7391 COc1ccccc1CN(C)CCCC#N 269982a_100000184376_100000687738 [0,2,0,0,0,0|2,0,0]=4 8074 B16R1.7391 N#CCCNC(=O)Cc1ccccc1C#N 11a_100000720768_100000238613 [0,2,0,0,0,0|1,0,1]=4 8075 B16R1.7391 N#CCCNC(=O)Cc1ccccc1C#N 527a_100000720768_100000238613 [0,2,0,0,0,0|1,0,1]=4 8076 B16R1.22096 C=CCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100015191253_100000692661 [0,2,0,0,0,0|1,0,1]=4 8077 B16R1.22096 CC(Cc1c(cccc1Cl)Cl)NCCC#N 270004a_100000720768_100000692661 [0,2,0,0,0,0|0,0,0]=2 8078 B16R1.22096 CC(Cc1c(cccc1Cl)Cl)NCCCF 270004a_100015189416_100000692661 [0,2,0,0,0,0|1,0,1]=4 8079 B16R1.22096 CC(Cc1c(cccc1Cl)Cl)NCCCO 270004a_100000182051_100000692661 [0,2,0,0,0,0|1,0,1]=4 8080 B16R1.22096 CCCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100000102301_100000692661 [0,2,0,0,0,0|1,0,1]=4 8081 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Br)F 2230a_106744473292_100000687738 [0,2,0,0,0,0|2,0,0]=4 8082 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Br)F 269982a_106744473292_100000687738 [0,2,0,0,0,0|2,0,0]=4 8083 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Cl)Cl 2230a_100000186903_100000687738 [0,2,0,0,0,0|2,0,0]=4 8084 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Cl)Cl 269982a_100000186903_100000687738 [0,2,0,0,0,0|2,0,0]=4 8085 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Cl)F 2230a_100000184537_100000687738 [0,2,0,0,0,0|2,0,0]=4 8086 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Cl)F 269982a_100000184537_100000687738 [0,2,0,0,0,0|2,0,0]=4 8087 B16R1.22096 COCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100000209980_100000692661 [0,2,0,0,0,0|2,0,0]=4 8088 B16R1.22096 CSCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100020590264_100000692661 [0,2,0,0,0,0|2,0,0]=4 8089 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)Br 11a_100000720768_100010147022 [0,2,0,0,0,0|1,0,1]=4 8090 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)Br 1626a_100000720768_100010147022 [0,2,0,0,0,0|1,0,1]=4 8091 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)Br 240690a_100000720768_100010147022 [0,2,0,0,0,0|1,0,1]=4 8092 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)Br 527a_100000720768_100010147022 [0,2,0,0,0,0|1,0,1]=4 8093 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)C 11a_100000720768_100000689862 [0,2,0,0,0,0|1,0,1]=4 8094 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)C 1626a_100000720768_100000689862 [0,2,0,0,0,0|1,0,1]=4 8095 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)C 240690a_100000720768_100000689862 [0,2,0,0,0,0|1,0,1]=4 8096 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)C 527a_100000720768_100000689862 [0,2,0,0,0,0|1,0,1]=4 8097 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Br 11a_100000720768_100010209379 [0,2,0,0,0,0|1,0,1]=4 8098 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Br 240690a_100000720768_100010209379 [0,2,0,0,0,0|1,0,1]=4 8099 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Br 527a_100000720768_100010209379 [0,2,0,0,0,0|1,0,1]=4 8100 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Cl 11a_100000720768_100013084675 [0,2,0,0,0,0|1,0,1]=4 8101 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Cl 1626a_100000720768_100013084675 [0,2,0,0,0,0|1,0,1]=4 8102 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Cl 240690a_100000720768_100013084675 [0,2,0,0,0,0|1,0,1]=4 8103 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Cl 527a_100000720768_100013084675 [0,2,0,0,0,0|1,0,1]=4 8104 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)F 11a_100000720768_100010172741 [0,2,0,0,0,0|1,0,1]=4 8105 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)F 1626a_100000720768_100010172741 [0,2,0,0,0,0|1,0,1]=4 8106 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)F 240690a_100000720768_100010172741 [0,2,0,0,0,0|1,0,1]=4 8107 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)F 527a_100000720768_100010172741 [0,2,0,0,0,0|1,0,1]=4 8108 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl 11a_100000720768_100000211232 [0,2,0,0,0,0|1,0,1]=4 8109 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl 1626a_100000720768_100000211232 [0,2,0,0,0,0|1,0,1]=4 8110 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl 240690a_100000720768_100000211232 [0,2,0,0,0,0|1,0,1]=4 8111 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl 527a_100000720768_100000211232 [0,2,0,0,0,0|1,0,1]=4 8112 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)F 11a_100000720768_100000185183 [0,2,0,0,0,0|1,0,1]=4 8113 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)F 1626a_100000720768_100000185183 [0,2,0,0,0,0|1,0,1]=4 8114 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)F 240690a_100000720768_100000185183 [0,2,0,0,0,0|1,0,1]=4 8115 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)F 527a_100000720768_100000185183 [0,2,0,0,0,0|1,0,1]=4 8116 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F 11a_100000720768_100000684726 [0,2,0,0,0,0|1,0,1]=4 8117 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F 1626a_100000720768_100000684726 [0,2,0,0,0,0|1,0,1]=4 8118 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F 240690a_100000720768_100000684726 [0,2,0,0,0,0|1,0,1]=4 8119 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F 527a_100000720768_100000684726 [0,2,0,0,0,0|1,0,1]=4 8120 B14R1.86 CC(CCc1ccco1)NCCC#N 2230a_100000199034_100011215226 [0,0,1,1,0,0|1,0,1]=4 8121 B14R2.3 CNCCN1CCc2c1cccc2 2230a_100000741946_200000210301 [1,0,0,1,0,0|2,0,0]=4 8122 B14R2.3 N#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011215382 [1,0,0,1,0,0|2,0,0]=4 8123 B14R2.3 N#CCOC1CCc2c1cccc2 7a_100000212247_100011215382 [1,0,0,1,0,0|2,0,0]=4 8124 B14R2.3 N#CCSC1CCc2c1cccc2 62a_100011215382_200000721974 [1,0,0,1,0,0|2,0,0]=4 8125 B14R2.3 [13CH3]NCCN1CCc2c1cccc2 2230a_100000741946_200025704644 [1,0,0,1,0,0|2,0,0]=4 8126 B14R2.31 CC1CCN1CCc2ccccc2 269982a_100000755817_100000765856 [1,0,0,1,0,0|1,0,1]=4 8127 B14R2.31 CC1CCN1CCc2ccccc2 34a_100000755817_100000765856 [1,0,0,1,0,0|1,0,1]=4 8128 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011215382 [1,0,0,1,0,0|2,0,0]=4 8129 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011214920 [1,0,0,1,0,0|2,0,0]=4 8130 B14R2.35 N#CCN1CCC1c2ccccc2 2230a_100000739605_100011215382 [1,0,0,1,0,0|2,0,0]=4 8131 B14R2.35 N#CCN1CCC1c2ccccc2 269982a_100000739605_100011214920 [1,0,0,1,0,0|2,0,0]=4 8132 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 2230a_100025746932_100000765856 [1,0,0,1,0,0|1,0,1]=4 8133 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 34a_100025746932_100000765856 [1,0,0,1,0,0|1,0,1]=4 8134 B14R2.49 F[C@H]1C[C@H]1NCCc2ccccc2 2230a_100015190264_100000765856 [1,0,0,1,0,0|1,0,1]=4 8135 B14R2.66 N#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215382 [1,0,0,1,0,0|2,0,0]=4 8136 B14R2.101 c1ccc(cc1)CCN2CCCC2 2230a_100000188435_100000765856 [1,0,0,1,0,0|1,0,1]=4 8137 B14R2.101 c1ccc(cc1)CCN2CCCC2 269982a_100000188435_100000765856 [1,0,0,1,0,0|1,0,1]=4 8138 B14R2.101 c1ccc(cc1)CCN2CCSC2 2230a_100011215254_100000765856 [1,0,0,1,0,0|2,0,0]=4 8139 B14R2.101 c1ccc(cc1)CCN2CCSC2 269982a_100011215254_100000765856 [1,0,0,1,0,0|2,0,0]=4 8140 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000106460_100000742324 [1,0,0,1,0,0|1,0,1]=4 8141 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000735609_100000765856 [1,0,0,1,0,0|1,0,1]=4 8142 B14R2.3018 c1ccc(cc1)CCNCC2CC2 269862a_100000106460_100000741477 [1,0,0,1,0,0|1,0,1]=4 8143 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000106460_100000742324 [1,0,0,1,0,0|1,0,1]=4 8144 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000735609_100000765856 [1,0,0,1,0,0|1,0,1]=4 8145 B14R2.3018 c1ccc(cc1)CCNCC2CO2 2230a_100000106460_100011216344 [1,0,0,1,0,0|1,0,1]=4 8146 B14R2.3018 c1ccc(cc1)CCNCC2CO2 34a_100000106460_102125554688 [1,0,0,1,0,0|1,0,1]=4 8147 B14R2.3019 c1ccc(cc1)CCNC2CCC2 2230a_100000749019_100000765856 [1,0,0,1,0,0|1,0,1]=4 8148 B14R2.3019 c1ccc(cc1)CCNC2CCC2 270004a_100000106460_100000241760 [1,0,0,1,0,0|1,0,1]=4 8149 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000106460_100000749161 [1,0,0,1,0,0|1,0,1]=4 8150 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000749019_100000765856 [1,0,0,1,0,0|1,0,1]=4 8151 B14R2.3019 c1ccc(cc1)CCNC2COC2 2230a_100016991112_100000765856 [1,0,0,1,0,0|2,0,0]=4 8152 B14R2.3019 c1ccc(cc1)CCNC2COC2 34a_100000106460_100009818527 [1,0,0,1,0,0|2,0,0]=4 8153 B14R2.16538 C#CCCSC1Cc2c1cccc2 62a_100000688953_100009813401 [1,0,0,1,0,0|2,0,0]=4 8154 B14R2.16538 C#CCCSC1Cc2c1cccc2 62a_100009813401_100000688953 [1,0,0,1,0,0|2,0,0]=4 8155 B14R2.16538 CCCCNC1Cc2c1cccc2 7a_106832991798_100009813401 [1,0,0,1,0,0|1,0,1]=4 8156 B14R2.16538 N#CCCSC1Cc2c1cccc2 62a_100009813401_100011215226 [1,0,0,1,0,0|1,0,0]=3 8157 B14R2.16538 N#CCCSC1Cc2c1cccc2 62a_100011215226_100009813401 [1,0,0,1,0,0|1,0,0]=3 8158 B14R2.16538 N#CCOCC1Cc2c1cccc2 7a_100012476685_100011215382 [1,0,0,1,0,0|2,0,0]=4 8159 B14R2.16538 N#CSCSC1Cc2c1cccc2 62a_100000211825_100009813401 [1,0,0,1,0,0|2,0,0]=4 8160 B14R2.16538 N#CSCSC1Cc2c1cccc2 62a_100009813401_100000211825 [1,0,0,1,0,0|2,0,0]=4 8161 B14R2.67 BrCCOC1Cc2ccccc2C1 34a_100000211926_100000753484 [1,0,0,1,0,0|2,0,0]=4 8162 B14R2.67 C#CCCN1Cc2ccccc2C1 2230a_100000752595_100000688953 [1,0,0,1,0,0|2,0,0]=4 8163 B14R2.67 C#CCCN1Cc2ccccc2C1 269982a_100000752595_100000730999 [1,0,0,1,0,0|2,0,0]=4 8164 B14R2.67 C#CCCN1Cc2ccccc2C1 34a_100000752595_100000688953 [1,0,0,1,0,0|2,0,0]=4 8165 B14R2.67 C#CCNC1Cc2ccccc2C1 2230a_100000753258_100000038162 [1,0,0,1,0,0|0,0,1]=3 8166 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000212058_100000753484 [1,0,0,1,0,0|0,0,1]=3 8167 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000753258_100000184674 [1,0,0,1,0,0|0,0,1]=3 8168 B14R2.67 C#CCOC1Cc2ccccc2C1 34a_100000210247_100000753484 [1,0,0,1,0,0|1,0,1]=4 8169 B14R2.67 C#CCOC1Cc2ccccc2C1 34a_100011215286_100000184674 [1,0,0,1,0,0|1,0,1]=4 8170 B14R2.67 C#CCSC1Cc2ccccc2C1 62a_100000038162_100000753484 [1,0,0,1,0,0|1,0,1]=4 8171 B14R2.67 C=CCNC1Cc2ccccc2C1 2230a_100000753258_100000210623 [1,0,0,1,0,0|0,0,2]=4 8172 B14R2.67 C=CCNC1Cc2ccccc2C1 34a_100000753258_100015514636 [1,0,0,1,0,0|0,0,2]=4 8173 B14R2.67 CCCNC1Cc2ccccc2C1 2230a_100000753258_100000210303 [1,0,0,1,0,0|0,0,1]=3 8174 B14R2.67 CCCNC1Cc2ccccc2C1 34a_100000753258_100000210303 [1,0,0,1,0,0|0,0,1]=3 8175 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100000210258_100000753484 [1,0,0,1,0,0|1,0,1]=4 8176 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100011215286_100000210303 [1,0,0,1,0,0|1,0,1]=4 8177 B14R2.67 CCCSC1Cc2ccccc2C1 62a_100000210303_100000753484 [1,0,0,1,0,0|1,0,1]=4 8178 B14R2.67 COCNC1Cc2ccccc2C1 2230a_100000753258_100000766300 [1,0,0,1,0,0|1,0,1]=4 8179 B14R2.67 CSCNC1Cc2ccccc2C1 2230a_100000753258_100011218213 [1,0,0,1,0,0|1,0,1]=4 8180 B14R2.67 CSCNC1Cc2ccccc2C1 34a_100000753258_100011218213 [1,0,0,1,0,0|1,0,1]=4 8181 B14R2.67 FCCNC1Cc2ccccc2C1 2230a_100000753258_100011217306 [1,0,0,1,0,0|1,0,0]=3 8182 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000724931_100000753484 [1,0,0,1,0,0|1,0,0]=3 8183 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000753258_100011217306 [1,0,0,1,0,0|1,0,0]=3 8184 B14R2.67 FCCOC1Cc2ccccc2C1 34a_100011215286_100011217306 [1,0,0,1,0,0|2,0,0]=4 8185 B14R2.67 FCCSC1Cc2ccccc2C1 62a_100011217306_100000753484 [1,0,0,1,0,0|2,0,0]=4 8186 B14R2.67 N#CCCN1Cc2ccccc2C1 2230a_100000752595_100011215226 [1,0,0,1,0,0|1,0,0]=3 8187 B14R2.67 N#CCCN1Cc2ccccc2C1 269982a_100000752595_100011215226 [1,0,0,1,0,0|1,0,0]=3 8188 B14R2.67 N#CCCN1Cc2cccnc2C1 269982a_100000726175_100011215226 [1,0,0,1,0,0|2,0,0]=4 8189 B14R2.67 N#CCCN1Cc2ccncc2C1 2230a_100000730608_100011215226 [1,0,0,1,0,0|2,0,0]=4 8190 B14R2.67 N#CCCN1Cc2ccncc2C1 269982a_100000730608_100011215226 [1,0,0,1,0,0|2,0,0]=4 8191 B14R2.67 N#CCNC1Cc2ccccc2C1 2230a_100000753258_100011215382 [1,0,0,1,0,0|0,0,0]=2 8192 B14R2.67 N#CCSC1Cc2ccccc2C1 62a_100011215382_100000753484 [1,0,0,1,0,0|1,0,0]=3 8193 B14R2.67 N#CSCN1Cc2ccccc2C1 269982a_100000752595_100000211825 [1,0,0,1,0,0|2,0,0]=4 8194 B14R2.67 NCCOC1Cc2ccccc2C1 34a_100000210304_100000753484 [1,0,0,1,0,0|1,0,1]=4 8195 B14R2.67 O=CCNC1Cc2ccccc2C1 2230a_100000753258_200015260668 [1,0,0,1,0,0|1,0,1]=4 8196 B14R2.67 O=CCNC1Cc2ccccc2C1 34a_100000753258_200009817547 [1,0,0,1,0,0|1,0,1]=4 8197 B14R2.67 OCCNC1Cc2ccccc2C1 2230a_100000753258_100000211926 [1,0,0,1,0,0|1,0,0]=3 8198 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100000753258_100000211926 [1,0,0,1,0,0|1,0,0]=3 8199 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100016990907_100000753484 [1,0,0,1,0,0|1,0,0]=3 8200 B14R2.67 OCCOC1Cc2ccccc2C1 34a_100011215286_100000211926 [1,0,0,1,0,0|2,0,0]=4 8201 B14R2.67 OCCSC1Cc2ccccc2C1 62a_100000211926_100000753484 [1,0,0,1,0,0|2,0,0]=4 8202 B14R2.90 N#CC1CN(C1)Cc2ccccc2 270004a_100015195279_100015611070 [1,0,0,1,0,0|1,0,0]=3 8203 B14R2.90 N#CC1CN(C1)Cc2ccccn2 270004a_100015195279_100000209966 [1,0,0,1,0,0|2,0,0]=4 8204 B14R2.90 N#CC1CN(C1)Cc2cccnc2 270004a_100015195279_100000209961 [1,0,0,1,0,0|2,0,0]=4 8205 B14R2.9589 CC(Cc1ccccc1)N2CCC2 269982a_100000754969_200011218536 [1,0,0,1,0,0|0,0,1]=3 8206 B14R2.9593 CC(Cc1ccccc1)NC2CC2 34a_100000212008_200011218536 [1,0,0,1,0,0|0,0,1]=3 8207 B14R2.9593 CC(Cc1ccccc1)OC2CC2 34a_100000748627_100000211595 [1,0,0,1,0,0|1,0,1]=4 8208 B14R2.9593 CC(Cc1ccccc1)SC2CC2 62a_200011218536_100000211595 [1,0,0,1,0,0|1,0,1]=4 8209 B14R2.114 CC(c1ccccc1)N2CCCC2 2230a_100000188435_100000230085 [0,0,0,1,1,0|1,0,1]=4 8210 B14R2.114 CC(c1ccccc1)N2CCCC2 269982a_100000188435_100000230085 [0,0,0,1,1,0|1,0,1]=4 8211 B14R2.114 CC(c1ccccc1)N2CCSC2 2230a_100011215254_100000230085 [0,0,0,1,1,0|2,0,0]=4 8212 B14R2.114 CC(c1ccccc1)N2CCSC2 269982a_100011215254_100000230085 [0,0,0,1,1,0|2,0,0]=4 8213 B14R2.335 CC1CCN1C(C)c2ccccc2 269982a_100000755817_100000230085 [0,0,0,1,1,0|1,0,1]=4 8214 B14R2.335 CC1CCN1C(C)c2ccccc2 34a_100000755817_100000211855 [0,0,0,1,1,0|1,0,1]=4 8215 B14R2.352 CC(N[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000230085 [0,0,0,1,1,0|1,0,1]=4 8216 B14R2.352 CC(N[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000230085 [0,0,0,1,1,0|1,0,1]=4 8217 B14R2.352 CC(N[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100000211855 [0,0,0,1,1,0|1,0,1]=4 8218 B14R2.792 CC(NCC1CC1)c2ccccc2 2230a_100000735609_100000230085 [0,0,0,1,1,0|1,0,1]=4 8219 B14R2.792 CC(NCC1CC1)c2ccccc2 34a_100000735609_100000211855 [0,0,0,1,1,0|1,0,1]=4 8220 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 2230a_100000751104_100000742324 [0,0,0,1,1,0|1,0,1]=4 8221 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 269862a_100000751104_100000741477 [0,0,0,1,1,0|1,0,1]=4 8222 B14R2.792 C[C@@H](NCC1CO1)c2ccccc2 2230a_100000751104_100011216344 [0,0,0,1,1,0|1,0,1]=4 8223 B14R2.794 CC(NC1CCC1)c2ccccc2 2230a_100000749019_100000230085 [0,0,0,1,1,0|1,0,1]=4 8224 B14R2.794 CC(NC1CCC1)c2ccccc2 269862a_100000749019_100000185851 [0,0,0,1,1,0|1,0,1]=4 8225 B14R2.794 CC(NC1CCC1)c2ccccc2 34a_100000749019_100000211855 [0,0,0,1,1,0|1,0,1]=4 8226 B14R2.794 CC(NC1COC1)c2ccccc2 2230a_100016991112_100000230085 [0,0,0,1,1,0|2,0,0]=4 8227 B14R2.794 CC(NC1COC1)c2ccccc2 269862a_100016991112_100000185851 [0,0,0,1,1,0|2,0,0]=4 8228 B14R2.794 CC(NC1CSC1)c2ccccc2 269862a_100016994217_100000185851 [0,0,0,1,1,0|2,0,0]=4 8229 B14R2.794 C[C@@H](NC1CCC1)c2ccccc2 270004a_100000751104_100000241760 [0,0,0,1,1,0|1,0,1]=4 8230 B16R2.2238 CC(CCc1ccccc1)N2CCCC2 270004a_100000188435_100000210092 [0,0,0,1,0,1|1,0,1]=4 8231 B16R2.2238 CC(CCc1ccccc1)N2CCSC2 270004a_100011215254_100000210092 [0,0,0,1,0,1|2,0,0]=4 8232 B16R2.2238 CC(COc1ccccc1)N2CCCC2 270004a_100000188435_100000150576 [0,0,0,1,0,1|1,0,1]=4 8233 B16R2.2238 CC(COc1ccccc1)N2CCCC2 7a_100000210340_200015187269 [0,0,0,1,0,1|1,0,1]=4 8234 B16R2.2238 CC(COc1ccccc1)N2CCSC2 270004a_100011215254_100000150576 [0,0,0,1,0,1|2,0,0]=4 8235 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 270004a_100000188435_100000150717 [0,0,0,1,0,1|1,0,1]=4 8236 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 62a_100000719477_200015187269 [0,0,0,1,0,1|1,0,1]=4 8237 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 62a_200015187269_100000041952 [0,0,0,1,0,1|1,0,1]=4 8238 B16R2.2238 CC(CSc1ccccc1)N2CCSC2 270004a_100011215254_100000150717 [0,0,0,1,0,1|2,0,0]=4 8239 B16R2.2263 N#CCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000687738 [0,0,0,1,0,1|2,0,0]=4 8240 B16R2.2263 N#CCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000687738 [0,0,0,1,0,1|2,0,0]=4 8241 B16R2.2270 C#CCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000688953 [0,0,0,1,0,1|1,0,0]=3 8242 B16R2.2270 C=CCCNC1CC(C1)c2ccccc2 270004a_100015191253_100000741317 [0,0,0,1,0,1|1,0,1]=4 8243 B16R2.2270 C=CCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000754431 [0,0,0,1,0,1|1,0,1]=4 8244 B16R2.2270 CC#CCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000748600 [0,0,0,1,0,1|1,0,1]=4 8245 B16R2.2270 CCCCNC1CC(C1)c2ccccc2 270004a_100000102301_100000741317 [0,0,0,1,0,1|1,0,1]=4 8246 B16R2.2270 CCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210211 [0,0,0,1,0,1|1,0,1]=4 8247 B16R2.2270 COCCNC1CC(C1)c2ccccc2 270004a_100000209980_100000741317 [0,0,0,1,0,1|2,0,0]=4 8248 B16R2.2270 COCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011201679 [0,0,0,1,0,1|2,0,0]=4 8249 B16R2.2270 CSCCNC1CC(C1)c2ccccc2 270004a_100020590264_100000741317 [0,0,0,1,0,1|2,0,0]=4 8250 B16R2.2270 CSCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000751147 [0,0,0,1,0,1|2,0,0]=4 8251 B16R2.2270 FCCCNC1CC(C1)c2ccccc2 270004a_100015189416_100000741317 [0,0,0,1,0,1|1,0,1]=4 8252 B16R2.2270 FCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011934791 [0,0,0,1,0,1|1,0,1]=4 8253 B16R2.2270 N#CCCNC1CC(C1)c2ccccc2 270004a_100000720768_100000741317 [0,0,0,1,0,1|0,0,0]=2 8254 B16R2.2270 N#CCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011215226 [0,0,0,1,0,1|0,0,0]=2 8255 B16R2.2270 OCCCNC1CC(C1)c2ccccc2 270004a_100000182051_100000741317 [0,0,0,1,0,1|1,0,1]=4 8256 B16R2.2270 OCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000230001 [0,0,0,1,0,1|1,0,1]=4 8257 B16R2.2334 N#CC1CCC(C1)NCc2ccccc2 270004a_100015324214_100000717688 [0,0,0,1,0,1|1,0,0]=3 8258 B16R2.2334 N#CC1CCC(C1)NCc2ccccn2 270004a_100000210449_100000717688 [0,0,0,1,0,1|2,0,0]=4 8259 B16R2.2334 N#CC1CCC(C1)NCc2cccnc2 270004a_100000210453_100000717688 [0,0,0,1,0,1|2,0,0]=4 8260 B16R2.2334 N#CC1CCN(C1)CCc2ccccc2 2230a_100016989334_100000765856 [0,0,0,1,0,1|2,0,0]=4 8261 B16R2.2334 N#CC1CCN(C1)CSc2ccccc2 2230a_100016989334_100011218342 [0,0,0,1,0,1|2,0,0]=4 8262 B16R2.2441 C#CCCNC1CCc2ccccc2C1 2230a_100000748446_100000688953 [0,0,0,1,0,1|1,0,0]=3 8263 B16R2.2441 C#CCCNC1CCc2ccccc2C1 34a_100000748446_100000688953 [0,0,0,1,0,1|1,0,0]=3 8264 B16R2.2441 C#CCCNC1COc2ccccc2C1 2230a_100000739546_100000688953 [0,0,0,1,0,1|1,0,0]=3 8265 B16R2.2441 C#CCCOC1CCc2ccccc2C1 34a_100011216300_100000688953 [0,0,0,1,0,1|2,0,0]=4 8266 B16R2.2441 C#CCCOC1CCc2ccccc2C1 7a_100011216300_100000688953 [0,0,0,1,0,1|2,0,0]=4 8267 B16R2.2441 C#CCCOC1Cc2ccccc2CO1 34a_200000095866_100000688953 [0,0,0,1,0,1|2,0,0]=4 8268 B16R2.2441 C=CCCNC1CCc2ccccc2C1 2230a_100000748446_100000754431 [0,0,0,1,0,1|1,0,1]=4 8269 B16R2.2441 C=CCCNC1CCc2ccccc2C1 270004a_100015191253_100000212018 [0,0,0,1,0,1|1,0,1]=4 8270 B16R2.2441 C=CCCNC1CCc2ccccc2C1 34a_100000748446_100000754431 [0,0,0,1,0,1|1,0,1]=4 8271 B16R2.2441 C=CCCNC1COc2ccccc2C1 2230a_100000739546_100000754431 [0,0,0,1,0,1|1,0,1]=4 8272 B16R2.2441 C=CCCNC1COc2ccccc2C1 270004a_100015191253_100000048293 [0,0,0,1,0,1|1,0,1]=4 8273 B16R2.2441 CC#CCNC1CCc2ccccc2C1 2230a_100000748446_100000748600 [0,0,0,1,0,1|1,0,1]=4 8274 B16R2.2441 CC#CCNC1CCc2ccccc2C1 34a_100000748446_100000748600 [0,0,0,1,0,1|1,0,1]=4 8275 B16R2.2441 CC#CCNC1COc2ccccc2C1 2230a_100000739546_100000748600 [0,0,0,1,0,1|1,0,1]=4 8276 B16R2.2441 CCCCNC1CCc2ccccc2C1 2230a_100000748446_100000210211 [0,0,0,1,0,1|1,0,1]=4 8277 B16R2.2441 CCCCNC1CCc2ccccc2C1 270004a_100000102301_100000212018 [0,0,0,1,0,1|1,0,1]=4 8278 B16R2.2441 CCCCNC1CCc2ccccc2C1 34a_100000748446_100000210210 [0,0,0,1,0,1|1,0,1]=4 8279 B16R2.2441 CCCCNC1COc2ccccc2C1 2230a_100000739546_100000210211 [0,0,0,1,0,1|1,0,1]=4 8280 B16R2.2441 CCCCNC1COc2ccccc2C1 270004a_100000102301_100000048293 [0,0,0,1,0,1|1,0,1]=4 8281 B16R2.2441 COCCNC1CCc2ccccc2C1 2230a_100000748446_100011201679 [0,0,0,1,0,1|2,0,0]=4 8282 B16R2.2441 COCCNC1CCc2ccccc2C1 270004a_100000209980_100000212018 [0,0,0,1,0,1|2,0,0]=4 8283 B16R2.2441 COCCNC1CCc2ccccc2C1 34a_100000748446_100011201679 [0,0,0,1,0,1|2,0,0]=4 8284 B16R2.2441 COCCNC1COc2ccccc2C1 2230a_100000739546_100011201679 [0,0,0,1,0,1|2,0,0]=4 8285 B16R2.2441 COCCNC1COc2ccccc2C1 270004a_100000209980_100000048293 [0,0,0,1,0,1|2,0,0]=4 8286 B16R2.2441 CSCCNC1CCc2ccccc2C1 2230a_100000748446_100000751147 [0,0,0,1,0,1|2,0,0]=4 8287 B16R2.2441 CSCCNC1CCc2ccccc2C1 270004a_100020590264_100000212018 [0,0,0,1,0,1|2,0,0]=4 8288 B16R2.2441 CSCCNC1CCc2ccccc2C1 34a_100000748446_100000212216 [0,0,0,1,0,1|2,0,0]=4 8289 B16R2.2441 CSCCNC1COc2ccccc2C1 2230a_100000739546_100000751147 [0,0,0,1,0,1|2,0,0]=4 8290 B16R2.2441 CSCCNC1COc2ccccc2C1 270004a_100020590264_100000048293 [0,0,0,1,0,1|2,0,0]=4 8291 B16R2.2441 FCCCNC1CCc2ccccc2C1 2230a_100000748446_100011934791 [0,0,0,1,0,1|1,0,1]=4 8292 B16R2.2441 FCCCNC1CCc2ccccc2C1 270004a_100015189416_100000212018 [0,0,0,1,0,1|1,0,1]=4 8293 B16R2.2441 FCCCNC1CCc2ccccc2C1 34a_100000748446_100011934791 [0,0,0,1,0,1|1,0,1]=4 8294 B16R2.2441 FCCCNC1COc2ccccc2C1 2230a_100000739546_100011934791 [0,0,0,1,0,1|1,0,1]=4 8295 B16R2.2441 FCCCNC1COc2ccccc2C1 270004a_100015189416_100000048293 [0,0,0,1,0,1|1,0,1]=4 8296 B16R2.2441 N#CCCCN1CCc2ccccc2C1 2230a_100000188457_100000687738 [0,0,0,1,0,1|2,0,0]=4 8297 B16R2.2441 N#CCCCN1CCc2ccccc2C1 269982a_100000188457_100000687738 [0,0,0,1,0,1|2,0,0]=4 8298 B16R2.2441 N#CCCNC1CCc2ccccc2C1 2230a_100000748446_100011215226 [0,0,0,1,0,1|0,0,0]=2 8299 B16R2.2441 N#CCCNC1CCc2ccccc2C1 270004a_100000720768_100000212018 [0,0,0,1,0,1|0,0,0]=2 8300 B16R2.2441 N#CCCNC1COc2ccccc2C1 2230a_100000739546_100011215226 [0,0,0,1,0,1|0,0,0]=2 8301 B16R2.2441 N#CCCNC1COc2ccccc2C1 270004a_100000720768_100000048293 [0,0,0,1,0,1|0,0,0]=2 8302 B16R2.2441 N#CCCOC1CCc2ccccc2C1 7a_100011216300_100000184422 [0,0,0,1,0,1|1,0,0]=3 8303 B16R2.2441 N#CCNCC1COc2ccccc2C1 2230a_100000703909_100011215382 [0,0,0,1,0,1|2,0,0]=4 8304 B16R2.2441 OCCCNC1CCc2ccccc2C1 2230a_100000748446_100000230001 [0,0,0,1,0,1|1,0,1]=4 8305 B16R2.2441 OCCCNC1CCc2ccccc2C1 270004a_100000182051_100000212018 [0,0,0,1,0,1|1,0,1]=4 8306 B16R2.2441 OCCCNC1CCc2ccccc2C1 34a_100000748446_100000230001 [0,0,0,1,0,1|1,0,1]=4 8307 B16R2.2441 OCCCNC1COc2ccccc2C1 2230a_100000739546_100000230001 [0,0,0,1,0,1|1,0,1]=4 8308 B16R2.2441 OCCCNC1COc2ccccc2C1 270004a_100000182051_100000048293 [0,0,0,1,0,1|1,0,1]=4 8309 B16R2.3627 N#CCC1CN(C1)CCc2ccccc2 269982a_206645079572_100000765856 [0,0,0,1,0,1|2,0,0]=4 8310 B16R2.3627 N#CCC1CN(C1)CSc2ccccc2 269982a_206645079572_100011218342 [0,0,0,1,0,1|2,0,0]=4 8311 B16R2.3627 N#CCN1CC(C1)OCc2ccccc2 269982a_100000692158_100011214920 [0,0,0,1,0,1|2,0,0]=4 8312 B16R2.4347 C#CCCOC1(CCc2c1cccc2)C 34a_100000685031_100000688953 [0,0,0,1,0,1|2,0,0]=4 8313 B16R2.4347 C#CCCOC1(CCc2c1cccc2)C 7a_100000685031_100000688953 [0,0,0,1,0,1|2,0,0]=4 8314 B16R2.4347 CC1(CCc2c1cccc2)OCCC#N 7a_100000685031_100000184422 [0,0,0,1,0,1|1,0,0]=3 8315 B16R2.43746 N#CCCNC(=O)C1Cc2c1cccc2 11a_100000720768_200000238571 [0,0,0,1,0,1|1,0,1]=4 8316 B16R2.43746 N#CCCNC(=O)C1Cc2c1cccc2 1626a_100000720768_200000238571 [0,0,0,1,0,1|1,0,1]=4 8317 B16R2.43746 N#CCCNC(=O)C1Cc2c1cccc2 240690a_100000720768_200000238571 [0,0,0,1,0,1|1,0,1]=4 8318 B16R2.43746 N#CCCNC(=O)C1Cc2c1cccc2 527a_100000720768_200000238571 [0,0,0,1,0,1|1,0,1]=4 8319 B16R2.44148 CC(CCc1ccccc1)NC2CCC2 270004a_100000210798_100000241760 [0,0,0,1,0,1|1,0,1]=4 8320 B16R2.44148 CC(CCc1ccccc1)NC2CCC2 34a_100000210798_100000749161 [0,0,0,1,0,1|1,0,1]=4 8321 B16R2.44148 CC(CCc1ccccc1)NC2COC2 270004a_100016991112_100000210092 [0,0,0,1,0,1|2,0,0]=4 8322 B16R2.44148 CC(CCc1ccccc1)NC2COC2 34a_100000210798_100009818527 [0,0,0,1,0,1|2,0,0]=4 8323 B16R2.44148 CC(CCc1ccccc1)NC2CSC2 270004a_100016994217_100000210092 [0,0,0,1,0,1|2,0,0]=4 8324 B16R2.44148 CC(COc1ccccc1)NC2CCC2 270004a_100000746794_100000241760 [0,0,0,1,0,1|1,0,1]=4 8325 B16R2.44148 CC(COc1ccccc1)NC2CCC2 34a_100000746794_100000749161 [0,0,0,1,0,1|1,0,1]=4 8326 B16R2.44148 CC(COc1ccccc1)NC2COC2 270004a_100016991112_100000150576 [0,0,0,1,0,1|2,0,0]=4 8327 B16R2.44148 CC(COc1ccccc1)NC2COC2 34a_100000746794_100009818527 [0,0,0,1,0,1|2,0,0]=4 8328 B16R2.44148 CC(COc1ccccc1)NC2CSC2 270004a_100016994217_100000150576 [0,0,0,1,0,1|2,0,0]=4 8329 B16R2.44148 CC(CSc1ccccc1)NC2COC2 270004a_100016991112_100000150717 [0,0,0,1,0,1|2,0,0]=4 8330 B16R2.44148 CC(CSc1ccccc1)NC2CSC2 270004a_100016994217_100000150717 [0,0,0,1,0,1|2,0,0]=4 8331 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 2230a_100000210798_100000742324 [0,0,0,1,0,1|1,0,1]=4 8332 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 269862a_100000210798_100000741477 [0,0,0,1,0,1|1,0,1]=4 8333 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 270004a_100000735609_100000210092 [0,0,0,1,0,1|1,0,1]=4 8334 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 34a_100000210798_100000742324 [0,0,0,1,0,1|1,0,1]=4 8335 B16R2.44153 CC(CCc1ccccc1)NCC2CO2 2230a_100000210798_100011216344 [0,0,0,1,0,1|1,0,1]=4 8336 B16R2.44153 CC(CCc1ccccc1)NCC2CO2 34a_100000210798_102125554688 [0,0,0,1,0,1|1,0,1]=4 8337 B16R2.44153 CC(COc1ccccc1)NCC2CC2 2230a_100000746794_100000742324 [0,0,0,1,0,1|1,0,1]=4 8338 B16R2.44153 CC(COc1ccccc1)NCC2CC2 269862a_100000746794_100000741477 [0,0,0,1,0,1|1,0,1]=4 8339 B16R2.44153 CC(COc1ccccc1)NCC2CC2 270004a_100000735609_100000150576 [0,0,0,1,0,1|1,0,1]=4 8340 B16R2.44153 CC(COc1ccccc1)NCC2CC2 34a_100000746794_100000742324 [0,0,0,1,0,1|1,0,1]=4 8341 B16R2.44153 CC(COc1ccccc1)NCC2CO2 2230a_100000746794_100011216344 [0,0,0,1,0,1|1,0,1]=4 8342 B16R2.44153 CC(COc1ccccc1)NCC2CO2 34a_100000746794_102125554688 [0,0,0,1,0,1|1,0,1]=4 8343 B16R2.44153 CC(CSc1ccccc1)NCC2CC2 270004a_100000735609_100000150717 [0,0,0,1,0,1|1,0,1]=4 8344 B16R2.23 N#CC1CCCN(C1)Cc2ccccc2 2230a_100016989302_100015291786 [0,1,0,1,0,0|2,0,0]=4 8345 B16R2.23 N#CC1CCCN(C1)Cc2ccccc2 269982a_206835378768_100000211182 [0,1,0,1,0,0|2,0,0]=4 8346 B16R2.23 N#CC1CCCN(C1)Cc2ccccc2 270004a_100016989302_100015611070 [0,1,0,1,0,0|2,0,0]=4 8347 B16R2.23 N#CC1CN(CCO1)Cc2ccccc2 2230a_100000752543_100015291786 [0,1,0,1,0,0|2,0,0]=4 8348 B16R2.23 N#CC1CN(CCO1)Cc2ccccc2 270004a_100000752543_100015611070 [0,1,0,1,0,0|2,0,0]=4 8349 B16R2.23 N#CC1CN(CCO1)Cc2ccccc2 34a_100000752543_100015291786 [0,1,0,1,0,0|2,0,0]=4 8350 B16R2.88 CC(Cc1ccccc1)N2CC=CCC2 269982a_100000698166_200011218536 [0,1,0,1,0,0|1,0,1]=4 8351 B16R2.88 CC(Cc1ccccc1)N2CC=CCC2 34a_100000698166_200011218536 [0,1,0,1,0,0|1,0,1]=4 8352 B16R2.88 CC(Cc1ccccc1)N2CCCOC2 269982a_100000131196_200011218536 [0,1,0,1,0,0|1,0,1]=4 8353 B16R2.88 CC(Cc1ccccc1)N2CCCOC2 34a_100000131196_200011218536 [0,1,0,1,0,0|1,0,1]=4 8354 B16R2.88 CC(Cc1ccccc1)N2CCOCC2 269982a_100015191051_200011218536 [0,1,0,1,0,0|1,0,1]=4 8355 B16R2.88 CC(Cc1ccccc1)N2CCOCC2 34a_100015191051_200011218536 [0,1,0,1,0,0|1,0,1]=4 8356 B16R2.88 CC(Cc1ccccc1)N2CCSCC2 269982a_100000737611_200011218536 [0,1,0,1,0,0|1,0,1]=4 8357 B16R2.92 N#CCN1CCC(C1)Oc2ccccc2 2230a_200015184049_100011215382 [0,1,0,1,0,0|2,0,0]=4 8358 B16R2.92 N#CCN1CCC(C1)Oc2ccccc2 269982a_200015184049_100011214920 [0,1,0,1,0,0|2,0,0]=4 8359 B16R2.118 C#CCCN1CC(C1)Oc2ccccc2 269982a_100000751016_100000730999 [0,1,0,1,0,0|2,0,0]=4 8360 B16R2.118 N#CCCN1CC(C1)Oc2ccccc2 269982a_100000751016_100011215226 [0,1,0,1,0,0|1,0,0]=3 8361 B16R2.118 N#CCCN1CC(C1)Oc2ccccn2 269982a_100132309326_100011215226 [0,1,0,1,0,0|2,0,0]=4 8362 B16R2.118 N#CSCN1CC(C1)Oc2ccccc2 269982a_100000751016_100000211825 [0,1,0,1,0,0|2,0,0]=4 8363 B16R2.524 CC(Cc1ccccc1)NC2CCCC2 34a_100000211070_200011218536 [0,1,0,1,0,0|1,0,1]=4 8364 B16R2.524 CC(Cc1ccccc1)N[C@H]2CCOC2 34a_100015188467_200011218536 [0,1,0,1,0,0|1,0,1]=4 8365 B16R2.1265 C#CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000731252 [0,1,0,1,0,0|1,0,0]=3 8366 B16R2.1265 C#CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000695029 [0,1,0,1,0,0|1,0,0]=3 8367 B16R2.1265 C#CCCOCC1CC1c2ccccc2 34a_100011997005_100000688953 [0,1,0,1,0,0|2,0,0]=4 8368 B16R2.1265 C#CCCOCC1CC1c2ccccc2 7a_100011997005_100000688953 [0,1,0,1,0,0|2,0,0]=4 8369 B16R2.1265 C=CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011713584 [0,1,0,1,0,0|1,0,1]=4 8370 B16R2.1265 C=CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000757094 [0,1,0,1,0,0|1,0,1]=4 8371 B16R2.1265 C=COCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000039644 [0,1,0,1,0,0|1,0,1]=4 8372 B16R2.1265 C=COCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000039644 [0,1,0,1,0,0|1,0,1]=4 8373 B16R2.1265 CCC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009813939 [0,1,0,1,0,0|1,0,1]=4 8374 B16R2.1265 CCC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009813939 [0,1,0,1,0,0|1,0,1]=4 8375 B16R2.1265 CCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210326 [0,1,0,1,0,0|1,0,1]=4 8376 B16R2.1265 CCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000718602 [0,1,0,1,0,0|1,0,1]=4 8377 B16R2.1265 CCOCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215890 [0,1,0,1,0,0|1,0,1]=4 8378 B16R2.1265 CCOCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210147 [0,1,0,1,0,0|1,0,1]=4 8379 B16R2.1265 CCSCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000757381 [0,1,0,1,0,0|1,0,1]=4 8380 B16R2.1265 CCSCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000757381 [0,1,0,1,0,0|1,0,1]=4 8381 B16R2.1265 COCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000740836 [0,1,0,1,0,0|1,0,1]=4 8382 B16R2.1265 COCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000740836 [0,1,0,1,0,0|1,0,1]=4 8383 B16R2.1265 FCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000729493 [0,1,0,1,0,0|1,0,1]=4 8384 B16R2.1265 FCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000729493 [0,1,0,1,0,0|1,0,1]=4 8385 B16R2.1265 N#CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000687738 [0,1,0,1,0,0|0,0,0]=2 8386 B16R2.1265 N#CCCOCC1CC1c2ccccc2 7a_100011997005_100000184422 [0,1,0,1,0,0|1,0,0]=3 8387 B16R2.1265 N#CCCOCC1OC1c2ccccc2 7a_100000032844_100000184422 [0,1,0,1,0,0|2,0,0]=4 8388 B16R2.1265 O=CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200011292268 [0,1,0,1,0,0|1,0,1]=4 8389 B16R2.1265 OCC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000047223 [0,1,0,1,0,0|1,0,1]=4 8390 B16R2.1265 OCC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000047223 [0,1,0,1,0,0|1,0,1]=4 8391 B16R2.1265 OCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210776 [0,1,0,1,0,0|1,0,1]=4 8392 B16R2.1265 OCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011216708 [0,1,0,1,0,0|1,0,1]=4 8393 B16R2.2875 C#CCCCNC1Cc2ccccc2C1 2230a_100000753258_100000731252 [0,1,0,1,0,0|1,0,0]=3 8394 B16R2.2875 C#CCCCNC1Cc2ccccc2C1 34a_100000718082_100000753484 [0,1,0,1,0,0|1,0,0]=3 8395 B16R2.2875 C#CCCCNC1Cc2ccccc2C1 34a_100000753258_100000695029 [0,1,0,1,0,0|1,0,0]=3 8396 B16R2.2875 C#CCCCOC1Cc2ccccc2C1 34a_100000215630_100000753484 [0,1,0,1,0,0|2,0,0]=4 8397 B16R2.2875 C#CCCCOC1Cc2ccccc2C1 34a_100011215286_100000695029 [0,1,0,1,0,0|2,0,0]=4 8398 B16R2.2875 C#CCCCOC1Cc2ccccc2C1 7a_100000215630_100000753484 [0,1,0,1,0,0|2,0,0]=4 8399 B16R2.2875 C#CCCCSC1Cc2ccccc2C1 62a_100011215417_100000753484 [0,1,0,1,0,0|2,0,0]=4 8400 B16R2.2875 C#CCCNCC1Cc2ccccc2C1 2230a_100000757167_100000688953 [0,1,0,1,0,0|1,0,0]=3 8401 B16R2.2875 C#CCCNCC1Cc2ccccc2C1 34a_100000757167_100000688953 [0,1,0,1,0,0|1,0,0]=3 8402 B16R2.2875 C#CCCNCC1Cc2ccccc2O1 2230a_100015207006_100000688953 [0,1,0,1,0,0|2,0,0]=4 8403 B16R2.2875 C#CCCNCC1Cc2ccccc2O1 34a_100015207006_100000688953 [0,1,0,1,0,0|2,0,0]=4 8404 B16R2.2875 C#CCCOCC1Cc2ccccc2C1 34a_100000720471_100000688953 [0,1,0,1,0,0|2,0,0]=4 8405 B16R2.2875 C=CCCCNC1Cc2ccccc2C1 2230a_100000753258_100011713584 [0,1,0,1,0,0|1,0,1]=4 8406 B16R2.2875 C=CCCCNC1Cc2ccccc2C1 34a_100000700776_100000753484 [0,1,0,1,0,0|1,0,1]=4 8407 B16R2.2875 C=CCCCNC1Cc2ccccc2C1 34a_100000753258_100000757094 [0,1,0,1,0,0|1,0,1]=4 8408 B16R2.2875 C=CCCNCC1Cc2ccccc2C1 2230a_100000757167_100000754431 [0,1,0,1,0,0|1,0,1]=4 8409 B16R2.2875 C=CCCNCC1Cc2ccccc2C1 34a_100000757167_100000754431 [0,1,0,1,0,0|1,0,1]=4 8410 B16R2.2875 C=COCCNC1Cc2ccccc2C1 2230a_100000753258_100000039644 [0,1,0,1,0,0|1,0,1]=4 8411 B16R2.2875 C=COCCNC1Cc2ccccc2C1 34a_100000753258_100000039644 [0,1,0,1,0,0|1,0,1]=4 8412 B16R2.2875 CC#CCCOC1Cc2ccccc2C1 34a_100000750427_100000753484 [0,1,0,1,0,0|2,0,0]=4 8413 B16R2.2875 CC#CCNCC1Cc2ccccc2C1 2230a_100000757167_100000748600 [0,1,0,1,0,0|1,0,1]=4 8414 B16R2.2875 CC#CCNCC1Cc2ccccc2C1 34a_100000757167_100000748600 [0,1,0,1,0,0|1,0,1]=4 8415 B16R2.2875 CCC#CCNC1Cc2ccccc2C1 2230a_100000753258_100009813939 [0,1,0,1,0,0|1,0,1]=4 8416 B16R2.2875 CCC#CCNC1Cc2ccccc2C1 34a_100000753258_100009813939 [0,1,0,1,0,0|1,0,1]=4 8417 B16R2.2875 CCCCCNC1Cc2ccccc2C1 2230a_100000753258_100000210326 [0,1,0,1,0,0|1,0,1]=4 8418 B16R2.2875 CCCCCNC1Cc2ccccc2C1 34a_100000753258_100000718602 [0,1,0,1,0,0|1,0,1]=4 8419 B16R2.2875 CCCCNCC1Cc2ccccc2C1 2230a_100000757167_100000210211 [0,1,0,1,0,0|1,0,1]=4 8420 B16R2.2875 CCCCNCC1Cc2ccccc2C1 34a_100000757167_100000210210 [0,1,0,1,0,0|1,0,1]=4 8421 B16R2.2875 CCOCCNC1Cc2ccccc2C1 2230a_100000753258_100011215890 [0,1,0,1,0,0|1,0,1]=4 8422 B16R2.2875 CCOCCNC1Cc2ccccc2C1 34a_100000753258_100000210147 [0,1,0,1,0,0|1,0,1]=4 8423 B16R2.2875 CCOCCNC1Cc2ccccc2C1 34a_102516460346_100000753484 [0,1,0,1,0,0|1,0,1]=4 8424 B16R2.2875 CCSCCNC1Cc2ccccc2C1 2230a_100000753258_100000757381 [0,1,0,1,0,0|1,0,1]=4 8425 B16R2.2875 CCSCCNC1Cc2ccccc2C1 34a_100000753258_100000757381 [0,1,0,1,0,0|1,0,1]=4 8426 B16R2.2875 COCCCNC1Cc2ccccc2C1 2230a_100000753258_100000740836 [0,1,0,1,0,0|1,0,1]=4 8427 B16R2.2875 COCCCNC1Cc2ccccc2C1 34a_100000753258_100000740836 [0,1,0,1,0,0|1,0,1]=4 8428 B16R2.2875 COCCCNC1Cc2ccccc2C1 34a_100150723488_100000753484 [0,1,0,1,0,0|1,0,1]=4 8429 B16R2.2875 COCCNCC1Cc2ccccc2C1 2230a_100000757167_100011201679 [0,1,0,1,0,0|2,0,0]=4 8430 B16R2.2875 COCCNCC1Cc2ccccc2C1 34a_100000757167_100011201679 [0,1,0,1,0,0|2,0,0]=4 8431 B16R2.2875 CSCCNCC1Cc2ccccc2C1 2230a_100000757167_100000751147 [0,1,0,1,0,0|2,0,0]=4 8432 B16R2.2875 CSCCNCC1Cc2ccccc2C1 34a_100000757167_100000212216 [0,1,0,1,0,0|2,0,0]=4 8433 B16R2.2875 FCCCCNC1Cc2ccccc2C1 2230a_100000753258_100000729493 [0,1,0,1,0,0|1,0,1]=4 8434 B16R2.2875 FCCCCNC1Cc2ccccc2C1 34a_100000753258_100000729493 [0,1,0,1,0,0|1,0,1]=4 8435 B16R2.2875 FCCCNCC1Cc2ccccc2C1 2230a_100000757167_100011934791 [0,1,0,1,0,0|1,0,1]=4 8436 B16R2.2875 FCCCNCC1Cc2ccccc2C1 34a_100000757167_100011934791 [0,1,0,1,0,0|1,0,1]=4 8437 B16R2.2875 N#CCCCCN1Cc2ccccc2C1 2230a_100000752595_100000211819 [0,1,0,1,0,0|2,0,0]=4 8438 B16R2.2875 N#CCCCCN1Cc2ccccc2C1 269982a_100000752595_100011219923 [0,1,0,1,0,0|2,0,0]=4 8439 B16R2.2875 N#CCCCNC1Cc2ccccc2C1 2230a_100000753258_100000687738 [0,1,0,1,0,0|0,0,0]=2 8440 B16R2.2875 N#CCCCSC1Cc2ccccc2C1 62a_100000687738_100000753484 [0,1,0,1,0,0|1,0,0]=3 8441 B16R2.2875 N#CCCNCC1Cc2ccccc2C1 2230a_100000757167_100011215226 [0,1,0,1,0,0|0,0,0]=2 8442 B16R2.2875 N#CCCNCC1Cc2ccccc2O1 2230a_100015207006_100011215226 [0,1,0,1,0,0|1,0,0]=3 8443 B16R2.2875 N#CCCNN=C1Cc2ccccc2C1 4a_100000229987_100000211675 [0,1,0,1,0,0|0,0,1]=3 8444 B16R2.2875 N#CCOCCN1Cc2ccccc2C1 2230a_100000752595_200000047693 [0,1,0,1,0,0|2,0,0]=4 8445 B16R2.2875 N#CSCCSC1Cc2ccccc2C1 62a_100000034367_100000753484 [0,1,0,1,0,0|1,0,0]=3 8446 B16R2.2875 O=CCCCNC1Cc2ccccc2C1 2230a_100000753258_200011292268 [0,1,0,1,0,0|1,0,1]=4 8447 B16R2.2875 OCC#CCNC1Cc2ccccc2C1 2230a_100000753258_200000047223 [0,1,0,1,0,0|1,0,1]=4 8448 B16R2.2875 OCC#CCNC1Cc2ccccc2C1 34a_100000753258_200000047223 [0,1,0,1,0,0|1,0,1]=4 8449 B16R2.2875 OCCCCNC1Cc2ccccc2C1 2230a_100000753258_100000210776 [0,1,0,1,0,0|1,0,1]=4 8450 B16R2.2875 OCCCCNC1Cc2ccccc2C1 34a_100000750430_100000753484 [0,1,0,1,0,0|1,0,1]=4 8451 B16R2.2875 OCCCCNC1Cc2ccccc2C1 34a_100000753258_100011216708 [0,1,0,1,0,0|1,0,1]=4 8452 B16R2.2875 OCCCNCC1Cc2ccccc2C1 2230a_100000757167_100000230001 [0,1,0,1,0,0|1,0,1]=4 8453 B16R2.2875 OCCCNCC1Cc2ccccc2C1 34a_100000757167_100000230001 [0,1,0,1,0,0|1,0,1]=4 8454 B16R2.3005 CC(Cc1ccccc1)N2CCC[C@@H]2C 269982a_100020605311_200011218536 [0,1,0,1,0,0|1,0,1]=4 8455 B16R2.3005 CC(Cc1ccccc1)N2CCC[C@H]2C 269982a_100015189458_200011218536 [0,1,0,1,0,0|1,0,1]=4 8456 B16R2.3005 CC(Cc1ccccc1)N2CCC[C@H]2C 34a_100015189458_200011218536 [0,1,0,1,0,0|1,0,1]=4 8457 B16R2.3005 CC(Cc1ccccc1)N2CCSC2C 269982a_200011216479_200011218536 [0,1,0,1,0,0|1,0,1]=4 8458 B16R2.3005 CC(Cc1ccccc1)N2CCSC2C 34a_200011216479_200011218536 [0,1,0,1,0,0|1,0,1]=4 8459 B16R2.6335 C#CCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000688953 [0,1,0,1,0,0|2,0,0]=4 8460 B16R2.6335 N#CCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011215226 [0,1,0,1,0,0|1,0,0]=3 8461 B16R2.10947 CC(Cc1ccccc1)NCCC2CC2 34a_100000764129_200011218536 [0,1,0,1,0,0|1,0,1]=4 8462 B16R2.10948 CC(Cc1ccccc1)NCC2CCC2 34a_100000738700_200011218536 [0,1,0,1,0,0|1,0,1]=4 8463 B16R2.10948 CC(Cc1ccccc1)NCC2COC2 34a_100015281925_200011218536 [0,1,0,1,0,0|1,0,1]=4 8464 B16R2.10948 CC(Cc1ccccc1)NC[C@@H]2CCO2 34a_100020831831_200011218536 [0,1,0,1,0,0|1,0,1]=4 8465 B16R2.2265 N#CCCCN1CCC1c2ccccc2 2230a_100000739605_100000687738 [0,1,0,1,0,0|2,0,0]=4 8466 B16R2.2265 N#CCCCN1CCC1c2ccccc2 269982a_100000739605_100000687738 [0,1,0,1,0,0|2,0,0]=4 8467 B16R2.2272 C#CCCNC1Cc2ccccc2C1O 34a_100000755551_100000211646 [0,1,0,1,0,0|1,0,0]=3 8468 B16R2.2272 C#CCCOC1Cc2ccccc2C1O 34a_100011215631_100000211646 [0,1,0,1,0,0|2,0,0]=4 8469 B16R2.2272 C#CCCSC1Cc2ccccc2C1O 62a_100000211646_100000688953 [0,1,0,1,0,0|2,0,0]=4 8470 B16R2.2272 C#CCCSC1Cc2ccccc2C1O 62a_100000688953_100000211646 [0,1,0,1,0,0|2,0,0]=4 8471 B16R2.2272 C=CCCNC1Cc2ccccc2C1O 2230a_100015191253_100000211646 [0,1,0,1,0,0|1,0,1]=4 8472 B16R2.2272 CC#CCNC1Cc2ccccc2C1O 2230a_100000685387_100000211646 [0,1,0,1,0,0|1,0,1]=4 8473 B16R2.2272 CC#CCNC1Cc2ccccc2C1O 34a_100000685387_100000211646 [0,1,0,1,0,0|1,0,1]=4 8474 B16R2.2272 CCCCNC1Cc2ccccc2C1O 2230a_100000102301_100000211646 [0,1,0,1,0,0|1,0,1]=4 8475 B16R2.2272 COCCNC1Cc2ccccc2C1O 2230a_100000209980_100000211646 [0,1,0,1,0,0|2,0,0]=4 8476 B16R2.2272 CSCCNC1Cc2ccccc2C1O 2230a_100020590264_100000211646 [0,1,0,1,0,0|2,0,0]=4 8477 B16R2.2272 Cn1c(nc2c1cccc2)NCCC#N 27a_100000720768_200000239431 [0,1,0,1,0,0|1,0,1]=4 8478 B16R2.2272 N#CCCSC1Cc2ccccc2C1=O 62a_100011215226_100011218503 [0,1,0,1,0,0|1,0,1]=4 8479 B16R2.2272 N#CCCSC1Cc2ccccc2C1=O 62a_100011218503_100011215226 [0,1,0,1,0,0|1,0,1]=4 8480 B16R2.2272 N#CCCSC1Cc2ccccc2C1O 62a_100000211646_100011215226 [0,1,0,1,0,0|1,0,0]=3 8481 B16R2.2272 N#CCCSC1Cc2ccccc2C1O 62a_100011215226_100000211646 [0,1,0,1,0,0|1,0,0]=3 8482 B16R2.2272 N#CSCSC1Cc2ccccc2C1O 62a_100000211646_100000211825 [0,1,0,1,0,0|2,0,0]=4 8483 B16R2.2272 N#CSCSC1Cc2ccccc2C1O 62a_100000211825_100000211646 [0,1,0,1,0,0|2,0,0]=4 8484 B16R2.2272 OC1c2ccccc2CC1NCCCF 2230a_100015189416_100000211646 [0,1,0,1,0,0|1,0,1]=4 8485 B16R2.2272 OC1c2ccccc2CC1NCCCF 34a_100015189416_100000211646 [0,1,0,1,0,0|1,0,1]=4 8486 B16R2.2353 CC(c1ccccc1)N2CCC(C2)C#N 2230a_100016989334_100000230085 [0,1,0,1,0,0|2,0,0]=4 8487 B16R2.3647 CC(c1ccccc1)N2CC(C2)CC#N 269982a_206645079572_100000230085 [0,1,0,1,0,0|2,0,0]=4 8488 B16R2.20 Cc1ccc(cc1)CN2CCC(C2)C#N 2230a_100016989334_100000210814 [0,1,0,1,0,0|2,0,0]=4 8489 B16R2.20 Cc1ccc(cc1)CN2CCC(C2)C#N 26a_100016989334_200020625495 [0,1,0,1,0,0|2,0,0]=4 8490 B16R2.20 Cc1ccc(cc1)CN2CCC(C2)C#N 270004a_100016989334_100000211033 [0,1,0,1,0,0|2,0,0]=4 8491 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)Br 2230a_100016989334_100011217064 [0,1,0,1,0,0|2,0,0]=4 8492 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)Br 26a_100016989334_100000185759 [0,1,0,1,0,0|2,0,0]=4 8493 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)Br 270004a_100016989334_100000186029 [0,1,0,1,0,0|2,0,0]=4 8494 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)Cl 2230a_100016989334_100000694040 [0,1,0,1,0,0|2,0,0]=4 8495 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)Cl 270004a_100016989334_100000189385 [0,1,0,1,0,0|2,0,0]=4 8496 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)F 2230a_100016989334_100000198546 [0,1,0,1,0,0|2,0,0]=4 8497 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)F 270004a_100016989334_100000210084 [0,1,0,1,0,0|2,0,0]=4 8498 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)I 2230a_100016989334_100000189116 [0,1,0,1,0,0|2,0,0]=4 8499 B16R2.62 Cc1ccc(cc1)CN2CC(C2)CC#N 269982a_206645079572_100000210814 [0,1,0,1,0,0|2,0,0]=4 8500 B16R2.62 Cc1ccc(cc1)CN2CC(C2)CC#N 26a_206645079572_200020625495 [0,1,0,1,0,0|2,0,0]=4 8501 B16R2.62 Cc1ccc(cc1)CN2CC(C2)CC#N 270004a_206645079572_100000211033 [0,1,0,1,0,0|2,0,0]=4 8502 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)Br 269982a_206645079572_100011217064 [0,1,0,1,0,0|2,0,0]=4 8503 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)Br 26a_206645079572_100000185759 [0,1,0,1,0,0|2,0,0]=4 8504 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)Br 270004a_206645079572_100000186029 [0,1,0,1,0,0|2,0,0]=4 8505 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)Cl 269982a_206645079572_100000187161 [0,1,0,1,0,0|2,0,0]=4 8506 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)Cl 270004a_206645079572_100000189385 [0,1,0,1,0,0|2,0,0]=4 8507 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)F 269982a_206645079572_100000198546 [0,1,0,1,0,0|2,0,0]=4 8508 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)F 270004a_206645079572_100000210084 [0,1,0,1,0,0|2,0,0]=4 8509 B16R2.62 N#CCC1CN(C1)Cc2ccc(cc2)I 269982a_206645079572_100000189116 [0,1,0,1,0,0|2,0,0]=4 8510 B16R2.133 CC(Cc1ccc(cc1)Br)N2CCCC2 270004a_100000188435_100000691760 [0,1,0,1,0,0|1,0,1]=4 8511 B16R2.133 CC(Cc1ccc(cc1)Br)N2CCSC2 270004a_100011215254_100000691760 [0,1,0,1,0,0|2,0,0]=4 8512 B16R2.133 CC(Cc1ccc(cc1)Cl)N2CCCC2 270004a_100000188435_100000747806 [0,1,0,1,0,0|1,0,1]=4 8513 B16R2.133 CC(Cc1ccc(cc1)Cl)N2CCSC2 270004a_100011215254_100000747806 [0,1,0,1,0,0|2,0,0]=4 8514 B16R2.133 CC(Cc1ccc(cc1)F)N2CCCC2 270004a_100000188435_100000745281 [0,1,0,1,0,0|1,0,1]=4 8515 B16R2.133 CC(Cc1ccc(cc1)F)N2CCSC2 270004a_100011215254_100000745281 [0,1,0,1,0,0|2,0,0]=4 8516 B16R2.133 CC(Cc1ccc(cc1)O)N2CCCC2 270004a_100000188435_100011218180 [0,1,0,1,0,0|1,0,1]=4 8517 B16R2.133 CC(Cc1ccc(cc1)O)N2CCSC2 270004a_100011215254_100011218180 [0,1,0,1,0,0|2,0,0]=4 8518 B16R2.133 Cc1ccc(cc1)CC(C)N2CCCC2 270004a_100000188435_100000751045 [0,1,0,1,0,0|1,0,1]=4 8519 B16R2.133 Cc1ccc(cc1)CC(C)N2CCSC2 270004a_100011215254_100000751045 [0,1,0,1,0,0|2,0,0]=4 8520 B16R2.532 C#CCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000688953 [0,1,0,1,0,0|1,0,0]=3 8521 B16R2.532 C#CCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000688953 [0,1,0,1,0,0|1,0,0]=3 8522 B16R2.532 C#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000688953 [0,1,0,1,0,0|1,0,0]=3 8523 B16R2.532 C#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000688953 [0,1,0,1,0,0|1,0,0]=3 8524 B16R2.532 C=CCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000754431 [0,1,0,1,0,0|1,0,1]=4 8525 B16R2.532 C=CCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000754431 [0,1,0,1,0,0|1,0,1]=4 8526 B16R2.532 C=CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000754431 [0,1,0,1,0,0|1,0,1]=4 8527 B16R2.532 C=CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000754431 [0,1,0,1,0,0|1,0,1]=4 8528 B16R2.532 CC#CCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000748600 [0,1,0,1,0,0|1,0,1]=4 8529 B16R2.532 CC#CCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000748600 [0,1,0,1,0,0|1,0,1]=4 8530 B16R2.532 CC#CCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000748600 [0,1,0,1,0,0|1,0,1]=4 8531 B16R2.532 CC#CCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000748600 [0,1,0,1,0,0|1,0,1]=4 8532 B16R2.532 CCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210211 [0,1,0,1,0,0|1,0,1]=4 8533 B16R2.532 CCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000210210 [0,1,0,1,0,0|1,0,1]=4 8534 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210211 [0,1,0,1,0,0|1,0,1]=4 8535 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210210 [0,1,0,1,0,0|1,0,1]=4 8536 B16R2.532 COCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011201679 [0,1,0,1,0,0|2,0,0]=4 8537 B16R2.532 COCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100011201679 [0,1,0,1,0,0|2,0,0]=4 8538 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011201679 [0,1,0,1,0,0|2,0,0]=4 8539 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011201679 [0,1,0,1,0,0|2,0,0]=4 8540 B16R2.532 CSCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000751147 [0,1,0,1,0,0|2,0,0]=4 8541 B16R2.532 CSCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000212216 [0,1,0,1,0,0|2,0,0]=4 8542 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000751147 [0,1,0,1,0,0|2,0,0]=4 8543 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000212216 [0,1,0,1,0,0|2,0,0]=4 8544 B16R2.532 FCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011934791 [0,1,0,1,0,0|1,0,1]=4 8545 B16R2.532 FCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100011934791 [0,1,0,1,0,0|1,0,1]=4 8546 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011934791 [0,1,0,1,0,0|1,0,1]=4 8547 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011934791 [0,1,0,1,0,0|1,0,1]=4 8548 B16R2.532 N#CCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011215226 [0,1,0,1,0,0|0,0,0]=2 8549 B16R2.532 N#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011215226 [0,1,0,1,0,0|0,0,0]=2 8550 B16R2.532 OCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000230001 [0,1,0,1,0,0|1,0,1]=4 8551 B16R2.532 OCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000230001 [0,1,0,1,0,0|1,0,1]=4 8552 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000230001 [0,1,0,1,0,0|1,0,1]=4 8553 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000230001 [0,1,0,1,0,0|1,0,1]=4 8554 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000688953 [0,1,0,1,0,0|1,0,0]=3 8555 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000688953 [0,1,0,1,0,0|1,0,0]=3 8556 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000688953 [0,1,0,1,0,0|1,0,0]=3 8557 B16R2.2435 C#CCCOC1Cc2ccc(cc2C1)Br 34a_100010161096_100000688953 [0,1,0,1,0,0|2,0,0]=4 8558 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000754431 [0,1,0,1,0,0|1,0,1]=4 8559 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Br 270004a_100015191253_100010185598 [0,1,0,1,0,0|1,0,1]=4 8560 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000754431 [0,1,0,1,0,0|1,0,1]=4 8561 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000754431 [0,1,0,1,0,0|1,0,1]=4 8562 B16R2.2435 CC#CCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000748600 [0,1,0,1,0,0|1,0,1]=4 8563 B16R2.2435 CC#CCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000748600 [0,1,0,1,0,0|1,0,1]=4 8564 B16R2.2435 CC#CCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000748600 [0,1,0,1,0,0|1,0,1]=4 8565 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000210211 [0,1,0,1,0,0|1,0,1]=4 8566 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Br 270004a_100000102301_100010185598 [0,1,0,1,0,0|1,0,1]=4 8567 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000210210 [0,1,0,1,0,0|1,0,1]=4 8568 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000210211 [0,1,0,1,0,0|1,0,1]=4 8569 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100011201679 [0,1,0,1,0,0|2,0,0]=4 8570 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br 270004a_100000209980_100010185598 [0,1,0,1,0,0|2,0,0]=4 8571 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100011201679 [0,1,0,1,0,0|2,0,0]=4 8572 B16R2.2435 COCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100011201679 [0,1,0,1,0,0|2,0,0]=4 8573 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000751147 [0,1,0,1,0,0|2,0,0]=4 8574 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br 270004a_100020590264_100010185598 [0,1,0,1,0,0|2,0,0]=4 8575 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000212216 [0,1,0,1,0,0|2,0,0]=4 8576 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000751147 [0,1,0,1,0,0|2,0,0]=4 8577 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100011934791 [0,1,0,1,0,0|1,0,1]=4 8578 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Br 270004a_100015189416_100010185598 [0,1,0,1,0,0|1,0,1]=4 8579 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100011934791 [0,1,0,1,0,0|1,0,1]=4 8580 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100011934791 [0,1,0,1,0,0|1,0,1]=4 8581 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)Br 2230a_100000702344_100000687738 [0,1,0,1,0,0|2,0,0]=4 8582 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)Br 269982a_100000702344_100000687738 [0,1,0,1,0,0|2,0,0]=4 8583 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)Cl 2230a_100015205306_100000687738 [0,1,0,1,0,0|2,0,0]=4 8584 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)Cl 269982a_100015205306_100000687738 [0,1,0,1,0,0|2,0,0]=4 8585 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)F 2230a_100000766377_100000687738 [0,1,0,1,0,0|2,0,0]=4 8586 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)F 269982a_100000766377_100000687738 [0,1,0,1,0,0|2,0,0]=4 8587 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)O 2230a_100015195982_100000687738 [0,1,0,1,0,0|2,0,0]=4 8588 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)O 269982a_100015195982_100000687738 [0,1,0,1,0,0|2,0,0]=4 8589 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100011215226 [0,1,0,1,0,0|0,0,0]=2 8590 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Br 270004a_100000720768_100010185598 [0,1,0,1,0,0|0,0,0]=2 8591 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100011215226 [0,1,0,1,0,0|0,0,0]=2 8592 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000230001 [0,1,0,1,0,0|1,0,1]=4 8593 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Br 270004a_100000182051_100010185598 [0,1,0,1,0,0|1,0,1]=4 8594 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000230001 [0,1,0,1,0,0|1,0,1]=4 8595 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000230001 [0,1,0,1,0,0|1,0,1]=4 8596 B16R2.33345 CC(Cc1ccc(cc1)Br)NCC2CC2 270004a_100000735609_100000691760 [0,1,0,1,0,0|1,0,1]=4 8597 B16R2.33345 CC(Cc1ccc(cc1)Cl)NCC2CC2 270004a_100000735609_100000747806 [0,1,0,1,0,0|1,0,1]=4 8598 B16R2.33345 CC(Cc1ccc(cc1)F)NCC2CC2 270004a_100000735609_100000745281 [0,1,0,1,0,0|1,0,1]=4 8599 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 2230a_100102634573_100000742324 [0,1,0,1,0,0|1,0,1]=4 8600 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 269862a_100102634573_100000741477 [0,1,0,1,0,0|1,0,1]=4 8601 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 270004a_100000735609_100011218180 [0,1,0,1,0,0|1,0,1]=4 8602 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 34a_100102634573_100000742324 [0,1,0,1,0,0|1,0,1]=4 8603 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CO2 2230a_100102634573_100011216344 [0,1,0,1,0,0|1,0,1]=4 8604 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CO2 34a_100102634573_102125554688 [0,1,0,1,0,0|1,0,1]=4 8605 B16R2.33345 Cc1ccc(cc1)CC(C)NCC2CC2 270004a_100000735609_100000751045 [0,1,0,1,0,0|1,0,1]=4 8606 B16R2.33353 CC(Cc1ccc(cc1)Br)NC2COC2 270004a_100016991112_100000691760 [0,1,0,1,0,0|2,0,0]=4 8607 B16R2.33353 CC(Cc1ccc(cc1)Br)NC2CSC2 270004a_100016994217_100000691760 [0,1,0,1,0,0|2,0,0]=4 8608 B16R2.33353 CC(Cc1ccc(cc1)Cl)NC2COC2 270004a_100016991112_100000747806 [0,1,0,1,0,0|2,0,0]=4 8609 B16R2.33353 CC(Cc1ccc(cc1)Cl)NC2CSC2 270004a_100016994217_100000747806 [0,1,0,1,0,0|2,0,0]=4 8610 B16R2.33353 CC(Cc1ccc(cc1)F)NC2COC2 270004a_100016991112_100000745281 [0,1,0,1,0,0|2,0,0]=4 8611 B16R2.33353 CC(Cc1ccc(cc1)F)NC2CSC2 270004a_100016994217_100000745281 [0,1,0,1,0,0|2,0,0]=4 8612 B16R2.33353 CC(Cc1ccc(cc1)O)NC2CCC2 270004a_100102634573_100000241760 [0,1,0,1,0,0|1,0,1]=4 8613 B16R2.33353 CC(Cc1ccc(cc1)O)NC2CCC2 34a_100102634573_100000749161 [0,1,0,1,0,0|1,0,1]=4 8614 B16R2.33353 CC(Cc1ccc(cc1)O)NC2COC2 270004a_100016991112_100011218180 [0,1,0,1,0,0|2,0,0]=4 8615 B16R2.33353 CC(Cc1ccc(cc1)O)NC2COC2 34a_100102634573_100009818527 [0,1,0,1,0,0|2,0,0]=4 8616 B16R2.33353 CC(Cc1ccc(cc1)O)NC2CSC2 270004a_100016994217_100011218180 [0,1,0,1,0,0|2,0,0]=4 8617 B16R2.33353 Cc1ccc(cc1)CC(C)NC2COC2 270004a_100016991112_100000751045 [0,1,0,1,0,0|2,0,0]=4 8618 B16R2.33353 Cc1ccc(cc1)CC(C)NC2CSC2 270004a_100016994217_100000751045 [0,1,0,1,0,0|2,0,0]=4 8619 B16R2.253 CC(Cc1cccc(c1)Br)N2CCCC2 270004a_100000188435_100000689217 [0,1,0,1,0,0|1,0,1]=4 8620 B16R2.253 CC(Cc1cccc(c1)Br)N2CCSC2 270004a_100011215254_100000689217 [0,1,0,1,0,0|2,0,0]=4 8621 B16R2.253 CC(Cc1cccc(c1)Cl)N2CCCC2 270004a_100000188435_100000727212 [0,1,0,1,0,0|1,0,1]=4 8622 B16R2.253 CC(Cc1cccc(c1)Cl)N2CCSC2 270004a_100011215254_100000727212 [0,1,0,1,0,0|2,0,0]=4 8623 B16R2.253 CC(Cc1cccc(c1)F)N2CCCC2 270004a_100000188435_100000687711 [0,1,0,1,0,0|1,0,1]=4 8624 B16R2.253 CC(Cc1cccc(c1)F)N2CCSC2 270004a_100011215254_100000687711 [0,1,0,1,0,0|2,0,0]=4 8625 B16R2.2333 Cc1cccc(c1)CN2CCC(C2)C#N 2230a_100016989334_100000211840 [0,1,0,1,0,0|2,0,0]=4 8626 B16R2.2333 Cc1cccc(c1)CN2CCC(C2)C#N 270004a_100016989334_100000211157 [0,1,0,1,0,0|2,0,0]=4 8627 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)Br 2230a_100016989334_100000698116 [0,1,0,1,0,0|2,0,0]=4 8628 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)Br 26a_100016989334_100000210342 [0,1,0,1,0,0|2,0,0]=4 8629 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)Br 270004a_100016989334_100000210085 [0,1,0,1,0,0|2,0,0]=4 8630 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)Cl 2230a_100016989334_100000181238 [0,1,0,1,0,0|2,0,0]=4 8631 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)Cl 270004a_100016989334_100000210801 [0,1,0,1,0,0|2,0,0]=4 8632 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)F 2230a_100016989334_100000230114 [0,1,0,1,0,0|2,0,0]=4 8633 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)F 270004a_100016989334_100000210812 [0,1,0,1,0,0|2,0,0]=4 8634 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)I 2230a_100016989334_100011218688 [0,1,0,1,0,0|2,0,0]=4 8635 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)I 270004a_100016989334_100000014684 [0,1,0,1,0,0|2,0,0]=4 8636 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)O 2230a_100016989334_100011660834 [0,1,0,1,0,0|2,0,0]=4 8637 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)O 270004a_100016989334_100000188321 [0,1,0,1,0,0|2,0,0]=4 8638 B16R2.2440 C#CCCOC1Cc2cccc(c2C1)Br 34a_100010752598_100000688953 [0,1,0,1,0,0|2,0,0]=4 8639 B16R2.2440 C=CCCNC1Cc2cccc(c2C1)Br 270004a_100015191253_100010205903 [0,1,0,1,0,0|1,0,1]=4 8640 B16R2.2440 C=CCCNC1Cc2cccc(c2C1)C 270004a_100015191253_100010637320 [0,1,0,1,0,0|1,0,1]=4 8641 B16R2.2440 CCCCNC1Cc2cccc(c2C1)Br 270004a_100000102301_100010205903 [0,1,0,1,0,0|1,0,1]=4 8642 B16R2.2440 CCCCNC1Cc2cccc(c2C1)C 270004a_100000102301_100010637320 [0,1,0,1,0,0|1,0,1]=4 8643 B16R2.2440 COCCNC1Cc2cccc(c2C1)Br 270004a_100000209980_100010205903 [0,1,0,1,0,0|2,0,0]=4 8644 B16R2.2440 COCCNC1Cc2cccc(c2C1)C 270004a_100000209980_100010637320 [0,1,0,1,0,0|2,0,0]=4 8645 B16R2.2440 CSCCNC1Cc2cccc(c2C1)Br 270004a_100020590264_100010205903 [0,1,0,1,0,0|2,0,0]=4 8646 B16R2.2440 CSCCNC1Cc2cccc(c2C1)C 270004a_100020590264_100010637320 [0,1,0,1,0,0|2,0,0]=4 8647 B16R2.2440 Cc1cccc2c1CC(C2)NCCC#N 270004a_100000720768_100010637320 [0,1,0,1,0,0|0,0,0]=2 8648 B16R2.2440 Cc1cccc2c1CC(C2)NCCCF 270004a_100015189416_100010637320 [0,1,0,1,0,0|1,0,1]=4 8649 B16R2.2440 Cc1cccc2c1CC(C2)NCCCO 270004a_100000182051_100010637320 [0,1,0,1,0,0|1,0,1]=4 8650 B16R2.2440 Cc1cccc2c1CN(C2)CCCC#N 2230a_100020635169_100000687738 [0,1,0,1,0,0|2,0,0]=4 8651 B16R2.2440 Cc1cccc2c1CN(C2)CCCC#N 269982a_100020635169_100000687738 [0,1,0,1,0,0|2,0,0]=4 8652 B16R2.2440 FCCCNC1Cc2cccc(c2C1)Br 270004a_100015189416_100010205903 [0,1,0,1,0,0|1,0,1]=4 8653 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)Br 2230a_100000703859_100000687738 [0,1,0,1,0,0|2,0,0]=4 8654 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)Br 269982a_100000703859_100000687738 [0,1,0,1,0,0|2,0,0]=4 8655 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)Cl 2230a_100000731892_100000687738 [0,1,0,1,0,0|2,0,0]=4 8656 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)Cl 269982a_100000731892_100000687738 [0,1,0,1,0,0|2,0,0]=4 8657 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)F 269982a_100000051403_100000687738 [0,1,0,1,0,0|2,0,0]=4 8658 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)O 269982a_100015191671_100000687738 [0,1,0,1,0,0|2,0,0]=4 8659 B16R2.2440 N#CCCNC1Cc2cccc(c2C1)Br 270004a_100000720768_100010205903 [0,1,0,1,0,0|0,0,0]=2 8660 B16R2.2440 OCCCNC1Cc2cccc(c2C1)Br 270004a_100000182051_100010205903 [0,1,0,1,0,0|1,0,1]=4 8661 B16R2.3626 Cc1cccc(c1)CN2CC(C2)CC#N 269982a_206645079572_100000211840 [0,1,0,1,0,0|2,0,0]=4 8662 B16R2.3626 Cc1cccc(c1)CN2CC(C2)CC#N 270004a_206645079572_100000211157 [0,1,0,1,0,0|2,0,0]=4 8663 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)Br 269982a_206645079572_100000211773 [0,1,0,1,0,0|2,0,0]=4 8664 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)Br 26a_206645079572_100000210342 [0,1,0,1,0,0|2,0,0]=4 8665 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)Br 270004a_206645079572_100000210085 [0,1,0,1,0,0|2,0,0]=4 8666 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)Cl 269982a_206645079572_100000181238 [0,1,0,1,0,0|2,0,0]=4 8667 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)Cl 270004a_206645079572_100000210801 [0,1,0,1,0,0|2,0,0]=4 8668 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)F 269982a_206645079572_100000230114 [0,1,0,1,0,0|2,0,0]=4 8669 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)F 270004a_206645079572_100000210812 [0,1,0,1,0,0|2,0,0]=4 8670 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)I 269982a_206645079572_100011218688 [0,1,0,1,0,0|2,0,0]=4 8671 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)I 270004a_206645079572_100000014684 [0,1,0,1,0,0|2,0,0]=4 8672 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)O 269982a_206645079572_100000084143 [0,1,0,1,0,0|2,0,0]=4 8673 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)O 270004a_206645079572_100000188321 [0,1,0,1,0,0|2,0,0]=4 8674 B16R2.80725 CC(Cc1cccc(c1)Br)NC2COC2 270004a_100016991112_100000689217 [0,1,0,1,0,0|2,0,0]=4 8675 B16R2.80725 CC(Cc1cccc(c1)Br)NC2CSC2 270004a_100016994217_100000689217 [0,1,0,1,0,0|2,0,0]=4 8676 B16R2.80725 CC(Cc1cccc(c1)Cl)NC2COC2 270004a_100016991112_100000727212 [0,1,0,1,0,0|2,0,0]=4 8677 B16R2.80725 CC(Cc1cccc(c1)Cl)NC2CSC2 270004a_100016994217_100000727212 [0,1,0,1,0,0|2,0,0]=4 8678 B16R2.80725 CC(Cc1cccc(c1)F)NC2COC2 270004a_100016991112_100000687711 [0,1,0,1,0,0|2,0,0]=4 8679 B16R2.80725 CC(Cc1cccc(c1)F)NC2CSC2 270004a_100016994217_100000687711 [0,1,0,1,0,0|2,0,0]=4 8680 B16R2.136607 CC(Cc1cccc(c1)Br)NCC2CC2 270004a_100000735609_100000689217 [0,1,0,1,0,0|1,0,1]=4 8681 B16R2.136607 CC(Cc1cccc(c1)Cl)NCC2CC2 270004a_100000735609_100000727212 [0,1,0,1,0,0|1,0,1]=4 8682 B16R2.136607 CC(Cc1cccc(c1)F)NCC2CC2 270004a_100000735609_100000687711 [0,1,0,1,0,0|1,0,1]=4 8683 B16R2.1895 CC(C[n+]1ccccc1)N2CC(C2)C#N 270004a_100015195279_100000034229 [0,1,0,1,0,0|1,0,0]=3 8684 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CF 269982a_100010363649_200011218536 [0,1,0,1,0,0|1,0,1]=4 8685 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CF 34a_100010363649_200011218536 [0,1,0,1,0,0|1,0,1]=4 8686 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CO 269982a_100016987283_200011218536 [0,1,0,1,0,0|1,0,1]=4 8687 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CO 34a_100016987283_200011218536 [0,1,0,1,0,0|1,0,1]=4 8688 B16R2.1895 CC(Cc1cccnc1)N2CC(C2)C#N 270004a_100015195279_100015187140 [0,1,0,1,0,0|1,0,0]=3 8689 B16R2.1895 CC(Cc1ccncc1)N2CC(C2)C#N 270004a_100015195279_100000238508 [0,1,0,1,0,0|1,0,0]=3 8690 B16R2.1895 CC(Cc1cnccn1)N2CC(C2)C#N 270004a_100015195279_100015184882 [0,1,0,1,0,0|2,0,0]=4 8691 B16R2.1895 CCC1CN(C1)C(C)Cc2ccccc2 269982a_100015205115_200011218536 [0,1,0,1,0,0|1,0,1]=4 8692 B16R2.1895 CN(Cc1ccccc1)C2CC(C2)C#N 270004a_100000186898_100000077199 [0,1,0,1,0,0|2,0,0]=4 8693 B16R2.1895 COC1CN(C1)C(C)Cc2ccccc2 269982a_100000755009_200011218536 [0,1,0,1,0,0|2,0,0]=4 8694 B16R2.1895 CSC1CN(C1)C(C)Cc2ccccc2 269982a_100016990038_200011218536 [0,1,0,1,0,0|2,0,0]=4 8695 B16R2.2114 C#CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000753159 [0,1,0,1,0,0|2,0,0]=4 8696 B16R2.2114 N#CCCC(=O)C1CC1c2cccnc2 1458a_100000746292_100011215226 [0,1,0,1,0,0|2,0,0]=4 8697 B16R2.2114 N#CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011215226 [0,1,0,1,0,0|1,0,0]=3 8698 B16R2.2114 N#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000734998_100009815801 [0,1,0,1,0,0|2,0,0]=4 8699 B16R2.2128 C#CCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000753159 [0,1,0,1,0,0|2,0,0]=4 8700 B16R2.2128 C#CCCC(=O)C1Cc2ccccc2C1 1458a_100000692101_100000753484 [0,1,0,1,0,0|2,0,0]=4 8701 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000688953 [0,1,0,1,0,0|1,0,0]=3 8702 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000730999 [0,1,0,1,0,0|1,0,0]=3 8703 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000688953 [0,1,0,1,0,0|1,0,0]=3 8704 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000754431 [0,1,0,1,0,0|1,0,1]=4 8705 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000754431 [0,1,0,1,0,0|1,0,1]=4 8706 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 269982a_100020639649_100000753484 [0,1,0,1,0,0|1,0,1]=4 8707 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000754431 [0,1,0,1,0,0|1,0,1]=4 8708 B16R2.2128 CC#CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000748600 [0,1,0,1,0,0|1,0,1]=4 8709 B16R2.2128 CC#CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000748600 [0,1,0,1,0,0|1,0,1]=4 8710 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210211 [0,1,0,1,0,0|1,0,1]=4 8711 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 269982a_100000207549_100000753484 [0,1,0,1,0,0|1,0,1]=4 8712 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210211 [0,1,0,1,0,0|1,0,1]=4 8713 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000210210 [0,1,0,1,0,0|1,0,1]=4 8714 B16R2.2128 CN(CCC#N)C1Cc2ccccc2C1 2230a_100016990990_100011215226 [0,1,0,1,0,0|0,0,0]=2 8715 B16R2.2128 CN(CCC#N)C1Cc2ccccc2C1 269982a_100016990990_100011215226 [0,1,0,1,0,0|0,0,0]=2 8716 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 2230a_100016990990_100011934791 [0,1,0,1,0,0|1,0,1]=4 8717 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 269982a_100016990990_100011934791 [0,1,0,1,0,0|1,0,1]=4 8718 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 34a_100016990990_100011934791 [0,1,0,1,0,0|1,0,1]=4 8719 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 2230a_100016990990_100000230001 [0,1,0,1,0,0|1,0,1]=4 8720 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 269982a_100000213112_100000753484 [0,1,0,1,0,0|1,0,1]=4 8721 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 269982a_100016990990_100011215043 [0,1,0,1,0,0|1,0,1]=4 8722 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 34a_100016990990_100000230001 [0,1,0,1,0,0|1,0,1]=4 8723 B16R2.2128 CN(CSC#N)C1Cc2ccccc2C1 269982a_100016990990_100000211825 [0,1,0,1,0,0|1,0,0]=3 8724 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100011201679 [0,1,0,1,0,0|2,0,0]=4 8725 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 269982a_100000743101_100000753484 [0,1,0,1,0,0|2,0,0]=4 8726 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000233755 [0,1,0,1,0,0|2,0,0]=4 8727 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 34a_100016990990_100011201679 [0,1,0,1,0,0|2,0,0]=4 8728 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000751147 [0,1,0,1,0,0|2,0,0]=4 8729 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 269982a_100000686725_100000753484 [0,1,0,1,0,0|2,0,0]=4 8730 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000212216 [0,1,0,1,0,0|2,0,0]=4 8731 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000212216 [0,1,0,1,0,0|2,0,0]=4 8732 B16R2.2128 N#CCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100011215226 [0,1,0,1,0,0|1,0,0]=3 8733 B16R2.2128 N#CCCC(=O)C1Cc2ccccc2C1 1458a_100011934036_100000753484 [0,1,0,1,0,0|1,0,0]=3 8734 B16R2.2128 N#CCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100011215226 [0,1,0,1,0,0|2,0,0]=4 8735 B16R2.2128 N#CCCC(=O)C1Cc2ccccc2S1 1458a_100000024912_100011215226 [0,1,0,1,0,0|2,0,0]=4 8736 B16R2.2128 N#CCCC(=O)N1Cc2ccccc2C1 11a_100000752595_100011934036 [0,1,0,1,0,0|2,0,0]=4 8737 B16R2.2128 N#CCCC(=O)N1Cc2ccccc2C1 1626a_100000752595_100011934036 [0,1,0,1,0,0|2,0,0]=4 8738 B16R2.2128 N#CCCC(=O)N1Cc2ccccc2C1 240690a_100000752595_100011934036 [0,1,0,1,0,0|2,0,0]=4 8739 B16R2.2128 N#CCCC(=O)N1Cc2ccccc2C1 527a_100000752595_100011934036 [0,1,0,1,0,0|2,0,0]=4 8740 B16R2.2128 N#CCNC(=O)C1Cc2ccccc2C1 1626a_100000734998_100000685393 [0,1,0,1,0,0|2,0,0]=4 8741 B16R2.2128 N#CCNC(=O)C1Cc2ccccc2C1 527a_100000734998_100000685393 [0,1,0,1,0,0|2,0,0]=4 8742 B16R2.2843 CC(Cc1ccccc1)N2CCC(C2)O 269982a_100011215560_200011218536 [0,1,0,1,0,0|1,0,1]=4 8743 B16R2.2843 CC(Cc1ccccc1)N2CC[C@@H](C2)F 269982a_100015203821_200011218536 [0,1,0,1,0,0|1,0,1]=4 8744 B16R2.2843 CC(Cc1ccccc1)N2CC[C@@H](C2)F 34a_100015203821_200011218536 [0,1,0,1,0,0|1,0,1]=4 8745 B16R2.2843 CC(Cc1ccccc1)N2CC[C@H](C2)C 269982a_100016987628_200011218536 [0,1,0,1,0,0|1,0,1]=4 8746 B16R2.2843 CC(Cc1ccccc1)N2CC[C@H](C2)C 34a_100016987628_200011218536 [0,1,0,1,0,0|1,0,1]=4 8747 B16R2.27766 CC(Cc1ccccc1)N(C)CC2CC2 269982a_100000741881_200011218536 [0,1,0,1,0,0|1,0,1]=4 8748 B16R2.147215 CC(Cc1ccccc1)N(C)C2CCC2 269982a_100000758072_200011218536 [0,1,0,1,0,0|1,0,1]=4 8749 B16R2.147215 CC(Cc1ccccc1)N(C)C2CCC2 34a_100000758072_200011218536 [0,1,0,1,0,0|1,0,1]=4 8750 B16R2.147215 CC(Cc1ccccc1)N(C)C2COC2 269982a_100102693430_200011218536 [0,1,0,1,0,0|2,0,0]=4 8751 B16R2.725 C#CCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100011220946 [0,1,0,1,0,0|1,0,1]=4 8752 B16R2.725 C#CCC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100011220946 [0,1,0,1,0,0|1,0,1]=4 8753 B16R2.725 CC(CC#N)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009813641 [0,1,0,1,0,0|0,0,0]=2 8754 B16R2.725 CC(CC#N)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100009813641 [0,1,0,1,0,0|0,0,0]=2 8755 B16R2.725 CC(CCO)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009893172 [0,1,0,1,0,0|1,0,1]=4 8756 B16R2.725 CC(CCO)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100009893172 [0,1,0,1,0,0|1,0,1]=4 8757 B16R2.725 CC(CCO)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100009893172 [0,1,0,1,0,0|1,0,1]=4 8758 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000766640 [0,1,0,1,0,0|1,0,1]=4 8759 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000766640 [0,1,0,1,0,0|1,0,1]=4 8760 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 270004a_100016998360_100000211909 [0,1,0,1,0,0|1,0,1]=4 8761 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100000766640 [0,1,0,1,0,0|1,0,1]=4 8762 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000765312 [0,1,0,1,0,0|2,0,0]=4 8763 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000765312 [0,1,0,1,0,0|2,0,0]=4 8764 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 270004a_100016998360_100000749346 [0,1,0,1,0,0|2,0,0]=4 8765 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100000765312 [0,1,0,1,0,0|2,0,0]=4 8766 B16R2.725 CSCC(C)N1C[C@@H]1Cc2ccccc2 270004a_100016998360_100011216314 [0,1,0,1,0,0|2,0,0]=4 8767 B16R2.725 N#CCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100051588842 [0,1,0,1,0,0|0,0,1]=3 8768 B16R2.725 N#CCC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100051588842 [0,1,0,1,0,0|0,0,1]=3 8769 B16R2.734 C#CCC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100011220946 [0,1,0,1,0,0|1,0,1]=4 8770 B16R2.734 C#CCC(=O)NC1Cc2ccccc2C1 527a_100000753258_100011220946 [0,1,0,1,0,0|1,0,1]=4 8771 B16R2.734 C#CCC(C)OC1Cc2ccccc2C1 34a_100000685586_100000753484 [0,1,0,1,0,0|2,0,0]=4 8772 B16R2.734 C#CCC(C)OC1Cc2ccccc2C1 7a_100000685586_100000753484 [0,1,0,1,0,0|2,0,0]=4 8773 B16R2.734 CC(CC#N)NC1Cc2ccccc2C1 2230a_100000753258_100009813641 [0,1,0,1,0,0|0,0,0]=2 8774 B16R2.734 CC(CC#N)SC1Cc2ccccc2C1 62a_100009813641_100000753484 [0,1,0,1,0,0|1,0,0]=3 8775 B16R2.734 CC(CCO)NC1Cc2ccccc2C1 2230a_100000753258_100009893172 [0,1,0,1,0,0|1,0,1]=4 8776 B16R2.734 CC(CCO)NC1Cc2ccccc2C1 34a_100000753258_100009893172 [0,1,0,1,0,0|1,0,1]=4 8777 B16R2.734 CCCC(C)NC1Cc2ccccc2C1 2230a_100000753258_100000766640 [0,1,0,1,0,0|1,0,1]=4 8778 B16R2.734 CCCC(C)NC1Cc2ccccc2C1 270004a_100000753258_100000211909 [0,1,0,1,0,0|1,0,1]=4 8779 B16R2.734 CCCC(C)NC1Cc2ccccc2C1 34a_100000753258_100000766640 [0,1,0,1,0,0|1,0,1]=4 8780 B16R2.734 COCC(C)NC1Cc2ccccc2C1 2230a_100000753258_100000765312 [0,1,0,1,0,0|2,0,0]=4 8781 B16R2.734 COCC(C)NC1Cc2ccccc2C1 270004a_100000753258_100000749346 [0,1,0,1,0,0|2,0,0]=4 8782 B16R2.734 COCC(C)NC1Cc2ccccc2C1 34a_100000753258_100000765312 [0,1,0,1,0,0|2,0,0]=4 8783 B16R2.734 CSCC(C)NC1Cc2ccccc2C1 270004a_100000753258_100011216314 [0,1,0,1,0,0|2,0,0]=4 8784 B16R2.734 C[C@H](CCO)NC1Cc2ccccc2C1 34a_100000706166_100000753484 [0,1,0,1,0,0|1,0,1]=4 8785 B16R2.734 N#CCC(=O)CC1Cc2ccccc2C1 1458a_100011217126_100011214920 [0,1,0,1,0,0|1,0,1]=4 8786 B16R2.734 N#CCC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100051588842 [0,1,0,1,0,0|0,0,1]=3 8787 B16R2.734 N#CCC(=O)NC1Cc2ccccc2C1 240690a_100000753258_100051588842 [0,1,0,1,0,0|0,0,1]=3 8788 B16R2.734 N#CC[C@H](O)CN1Cc2ccccc2C1 2230a_100000752595_100000001066 [0,1,0,1,0,0|2,0,0]=4 8789 B16R2.789 C#CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100011220946 [0,1,0,1,0,0|1,0,1]=4 8790 B16R2.789 C#CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100011220946 [0,1,0,1,0,0|1,0,1]=4 8791 B16R2.789 CC(CC#N)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009813641 [0,1,0,1,0,0|0,0,0]=2 8792 B16R2.789 CC(CCO)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009893172 [0,1,0,1,0,0|1,0,1]=4 8793 B16R2.789 CC(CCO)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009893172 [0,1,0,1,0,0|1,0,1]=4 8794 B16R2.789 CCCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000766640 [0,1,0,1,0,0|1,0,1]=4 8795 B16R2.789 CCCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000766640 [0,1,0,1,0,0|1,0,1]=4 8796 B16R2.789 COCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000765312 [0,1,0,1,0,0|2,0,0]=4 8797 B16R2.789 COCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000765312 [0,1,0,1,0,0|2,0,0]=4 8798 B16R2.789 N#CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100051588842 [0,1,0,1,0,0|0,0,1]=3 8799 B16R2.789 N#CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100051588842 [0,1,0,1,0,0|0,0,1]=3 8800 B16R2.27736 CC(Cc1ccccc1)NC2(CCC2)C 34a_100000692455_200011218536 [0,1,0,1,0,0|1,0,1]=4 8801 B16R2.27769 CC(Cc1ccccc1)NC(C)C2CC2 34a_100000700016_200011218536 [0,1,0,1,0,0|1,0,1]=4 8802 B16R2.2 N#CC1CCN(CC1)Cc2ccccc2 2230a_100000747632_100015291786 [0,1,0,1,0,0|2,0,0]=4 8803 B16R2.2 N#CC1CCN(CC1)Cc2ccccc2 270004a_100000747632_100015611070 [0,1,0,1,0,0|2,0,0]=4 8804 B16R2.1164 C=C(C#N)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000694840 [0,1,0,1,0,0|0,0,1]=3 8805 B16R2.1164 C=C(C#N)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000694840 [0,1,0,1,0,0|0,0,1]=3 8806 B16R2.1164 C=C(C#N)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000694840 [0,1,0,1,0,0|0,0,1]=3 8807 B16R2.1164 C=CC(O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000730141 [0,1,0,1,0,0|1,0,1]=4 8808 B16R2.1164 C=CC(O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000730141 [0,1,0,1,0,0|1,0,1]=4 8809 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000748023 [0,1,0,1,0,0|1,0,1]=4 8810 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000748023 [0,1,0,1,0,0|1,0,1]=4 8811 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 270004a_100016998360_100000243153 [0,1,0,1,0,0|1,0,1]=4 8812 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000748023 [0,1,0,1,0,0|1,0,1]=4 8813 B16R2.1164 CCC(O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011218378 [0,1,0,1,0,0|1,0,1]=4 8814 B16R2.1164 CCC(O)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011218378 [0,1,0,1,0,0|1,0,1]=4 8815 B16R2.1164 CCC(O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011218378 [0,1,0,1,0,0|1,0,1]=4 8816 B16R2.1164 CC[C@H](C)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009816398 [0,1,0,1,0,0|1,0,1]=4 8817 B16R2.1164 CC[C@H](C)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100009816398 [0,1,0,1,0,0|1,0,1]=4 8818 B16R2.1164 CC[C@H](C)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100009816398 [0,1,0,1,0,0|1,0,1]=4 8819 B16R2.1164 C[C@@H](CO)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000059175 [0,1,0,1,0,0|1,0,1]=4 8820 B16R2.1164 C[C@@H](CO)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000059175 [0,1,0,1,0,0|1,0,1]=4 8821 B16R2.1164 C[C@@H](CO)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000059175 [0,1,0,1,0,0|1,0,1]=4 8822 B16R2.1164 OCC(O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011219619 [0,1,0,1,0,0|1,0,1]=4 8823 B16R2.1164 OCC(O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011219619 [0,1,0,1,0,0|1,0,1]=4 8824 B16R2.1164 OC[C@H](O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009815848 [0,1,0,1,0,0|1,0,1]=4 8825 B16R2.1164 OC[C@H](O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100009815848 [0,1,0,1,0,0|1,0,1]=4 8826 B16R2.1164 O[C@@H](CF)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100015614560 [0,1,0,1,0,0|1,0,1]=4 8827 B16R2.1164 O[C@@H](CF)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015614560 [0,1,0,1,0,0|1,0,1]=4 8828 B16R2.1173 C=C(C#N)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000694840 [0,1,0,1,0,0|0,0,1]=3 8829 B16R2.1173 C=C(C#N)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000694840 [0,1,0,1,0,0|0,0,1]=3 8830 B16R2.1173 C=CC(O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000730141 [0,1,0,1,0,0|1,0,1]=4 8831 B16R2.1173 C=CC(O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000730141 [0,1,0,1,0,0|1,0,1]=4 8832 B16R2.1173 CC(C#N)OCC1CC1c2ccccc2 7a_100011997005_100000703298 [0,1,0,1,0,0|2,0,0]=4 8833 B16R2.1173 CCC(C)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000748023 [0,1,0,1,0,0|1,0,1]=4 8834 B16R2.1173 CCC(C)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000748023 [0,1,0,1,0,0|1,0,1]=4 8835 B16R2.1173 CCC(O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011218378 [0,1,0,1,0,0|1,0,1]=4 8836 B16R2.1173 CCC(O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011218378 [0,1,0,1,0,0|1,0,1]=4 8837 B16R2.1173 CC[C@H](C)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009816398 [0,1,0,1,0,0|1,0,1]=4 8838 B16R2.1173 CC[C@H](C)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009816398 [0,1,0,1,0,0|1,0,1]=4 8839 B16R2.1173 C[C@@H](CO)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000059175 [0,1,0,1,0,0|1,0,1]=4 8840 B16R2.1173 C[C@@H](CO)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000059175 [0,1,0,1,0,0|1,0,1]=4 8841 B16R2.1173 OCC(O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011219619 [0,1,0,1,0,0|1,0,1]=4 8842 B16R2.1173 OCC(O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011219619 [0,1,0,1,0,0|1,0,1]=4 8843 B16R2.1173 OC[C@H](O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009815848 [0,1,0,1,0,0|1,0,1]=4 8844 B16R2.1173 OC[C@H](O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009815848 [0,1,0,1,0,0|1,0,1]=4 8845 B16R2.1173 O[C@@H](CF)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100015614560 [0,1,0,1,0,0|1,0,1]=4 8846 B16R2.1173 O[C@@H](CF)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015614560 [0,1,0,1,0,0|1,0,1]=4 8847 B16R2.1181 C=C(C#N)CNC1Cc2ccccc2C1 2230a_100000753258_100000694840 [0,1,0,1,0,0|0,0,1]=3 8848 B16R2.1181 C=C(C#N)CNC1Cc2ccccc2C1 34a_100000753258_100000694840 [0,1,0,1,0,0|0,0,1]=3 8849 B16R2.1181 C=C(C#N)COC1Cc2ccccc2C1 34a_100011215286_100000694840 [0,1,0,1,0,0|1,0,1]=4 8850 B16R2.1181 C=CC(O)CNC1Cc2ccccc2C1 2230a_100000753258_100000730141 [0,1,0,1,0,0|1,0,1]=4 8851 B16R2.1181 C=CC(O)CNC1Cc2ccccc2C1 34a_100000753258_100000730141 [0,1,0,1,0,0|1,0,1]=4 8852 B16R2.1181 CC(C#N)NCC1Cc2ccccc2C1 2230a_100000757167_100000184139 [0,1,0,1,0,0|2,0,0]=4 8853 B16R2.1181 CC(CO)CNC1Cc2ccccc2C1 34a_100000744482_100000753484 [0,1,0,1,0,0|1,0,1]=4 8854 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 2230a_100000753258_100000748023 [0,1,0,1,0,0|1,0,1]=4 8855 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 270004a_100000753258_100000243153 [0,1,0,1,0,0|1,0,1]=4 8856 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 34a_100000753258_100000748023 [0,1,0,1,0,0|1,0,1]=4 8857 B16R2.1181 CCC(O)CNC1Cc2ccccc2C1 2230a_100000753258_100011218378 [0,1,0,1,0,0|1,0,1]=4 8858 B16R2.1181 CCC(O)CNC1Cc2ccccc2C1 34a_100000753258_100011218378 [0,1,0,1,0,0|1,0,1]=4 8859 B16R2.1181 CC[C@H](C)CNC1Cc2ccccc2C1 2230a_100000753258_100009816398 [0,1,0,1,0,0|1,0,1]=4 8860 B16R2.1181 CC[C@H](C)CNC1Cc2ccccc2C1 34a_100000753258_100009816398 [0,1,0,1,0,0|1,0,1]=4 8861 B16R2.1181 C[C@@H](CO)CNC1Cc2ccccc2C1 2230a_100000753258_100000059175 [0,1,0,1,0,0|1,0,1]=4 8862 B16R2.1181 C[C@@H](CO)CNC1Cc2ccccc2C1 34a_100000753258_100000059175 [0,1,0,1,0,0|1,0,1]=4 8863 B16R2.1181 OCC(O)CNC1Cc2ccccc2C1 2230a_100000753258_100011219619 [0,1,0,1,0,0|1,0,1]=4 8864 B16R2.1181 OCC(O)CNC1Cc2ccccc2C1 34a_100000753258_100011219619 [0,1,0,1,0,0|1,0,1]=4 8865 B16R2.1181 OC[C@H](F)CNC1Cc2ccccc2C1 34a_100015665980_100000753484 [0,1,0,1,0,0|1,0,1]=4 8866 B16R2.1181 OC[C@H](O)CNC1Cc2ccccc2C1 2230a_100000753258_100009815848 [0,1,0,1,0,0|1,0,1]=4 8867 B16R2.1181 OC[C@H](O)CNC1Cc2ccccc2C1 34a_100000753258_100009815848 [0,1,0,1,0,0|1,0,1]=4 8868 B16R2.1181 O[C@@H](CF)CNC1Cc2ccccc2C1 2230a_100000753258_100015614560 [0,1,0,1,0,0|1,0,1]=4 8869 B16R2.1181 O[C@@H](CF)CNC1Cc2ccccc2C1 34a_100000753258_100015614560 [0,1,0,1,0,0|1,0,1]=4 8870 B16R2.3341 CC(Cc1ccccc1)N2C[C@@H]([C@@H]2C)O 269982a_206633788156_200011218536 [0,1,0,1,0,0|1,0,1]=4 8871 B16R2.101 CCC(Cc1ccccc1)N2CCCC2 270004a_100000188435_100000212045 [0,1,0,1,0,0|1,0,1]=4 8872 B16R2.101 CCC(Cc1ccccc1)N2CCSC2 270004a_100011215254_100000212045 [0,1,0,1,0,0|2,0,0]=4 8873 B16R2.676 CCC(Cc1ccccc1)NCC2CC2 270004a_100000735609_100000212045 [0,1,0,1,0,0|1,0,1]=4 8874 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 2230a_100000739027_100000742324 [0,1,0,1,0,0|1,0,1]=4 8875 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 269862a_100000739027_100000741477 [0,1,0,1,0,0|1,0,1]=4 8876 B16R2.676 OCC(Cc1ccccc1)NCC2CO2 2230a_100000739027_100011216344 [0,1,0,1,0,0|1,0,1]=4 8877 B16R2.29082 CCC(Cc1ccccc1)NC2COC2 270004a_100016991112_100000212045 [0,1,0,1,0,0|2,0,0]=4 8878 B16R2.29082 CCC(Cc1ccccc1)NC2CSC2 270004a_100016994217_100000212045 [0,1,0,1,0,0|2,0,0]=4 8879 B16R2.29082 OCC(Cc1ccccc1)NC2CCC2 270004a_100000739027_100000241760 [0,1,0,1,0,0|1,0,1]=4 8880 B16R2.492 C=C(C)CCNC1Cc2ccccc2C1 2230a_100000753258_100000730704 [0,1,0,1,0,0|1,0,1]=4 8881 B16R2.492 C=C(C)CCNC1Cc2ccccc2C1 34a_100000753258_100000730704 [0,1,0,1,0,0|1,0,1]=4 8882 B16R2.492 CC(C)CCNC1Cc2ccccc2C1 2230a_100000753258_100000210312 [0,1,0,1,0,0|1,0,1]=4 8883 B16R2.492 CC(C)CCNC1Cc2ccccc2C1 269862a_100000753258_100000185833 [0,1,0,1,0,0|1,0,1]=4 8884 B16R2.492 CC(C)CCNC1Cc2ccccc2C1 34a_100000753258_100000210312 [0,1,0,1,0,0|1,0,1]=4 8885 B16R2.492 CC(O)CCNC1Cc2ccccc2C1 2230a_100000753258_100012276601 [0,1,0,1,0,0|1,0,1]=4 8886 B16R2.492 CC(O)CCNC1Cc2ccccc2C1 34a_100000753258_100012276601 [0,1,0,1,0,0|1,0,1]=4 8887 B16R2.492 NC(=O)CCNC1Cc2ccccc2C1 2230a_100000753258_100000744528 [0,1,0,1,0,0|0,0,2]=4 8888 B16R2.492 NC(=O)CCNC1Cc2ccccc2C1 34a_100000753258_100000731001 [0,1,0,1,0,0|0,0,2]=4 8889 B16R2.1326 C=C(C)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000730704 [0,1,0,1,0,0|1,0,1]=4 8890 B16R2.1326 C=C(C)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000730704 [0,1,0,1,0,0|1,0,1]=4 8891 B16R2.1326 C=C(C)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000730704 [0,1,0,1,0,0|1,0,1]=4 8892 B16R2.1326 CC(=O)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000053229 [0,1,0,1,0,0|1,0,1]=4 8893 B16R2.1326 CC(C)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210312 [0,1,0,1,0,0|1,0,1]=4 8894 B16R2.1326 CC(C)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210312 [0,1,0,1,0,0|1,0,1]=4 8895 B16R2.1326 CC(C)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210312 [0,1,0,1,0,0|1,0,1]=4 8896 B16R2.1326 CC(O)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100012276601 [0,1,0,1,0,0|1,0,1]=4 8897 B16R2.1326 CC(O)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100012276601 [0,1,0,1,0,0|1,0,1]=4 8898 B16R2.1326 CC(O)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100012276601 [0,1,0,1,0,0|1,0,1]=4 8899 B16R2.1326 CN(C)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000755713 [0,1,0,1,0,0|2,0,0]=4 8900 B16R2.1326 NC(=O)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000744528 [0,1,0,1,0,0|0,0,2]=4 8901 B16R2.1326 NC(=O)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000744528 [0,1,0,1,0,0|0,0,2]=4 8902 B16R2.1326 NC(=O)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000731001 [0,1,0,1,0,0|0,0,2]=4 8903 B16R2.1330 C=C(C)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000730704 [0,1,0,1,0,0|1,0,1]=4 8904 B16R2.1330 C=C(C)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000730704 [0,1,0,1,0,0|1,0,1]=4 8905 B16R2.1330 CC(C)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210312 [0,1,0,1,0,0|1,0,1]=4 8906 B16R2.1330 CC(C)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210312 [0,1,0,1,0,0|1,0,1]=4 8907 B16R2.1330 CC(O)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100012276601 [0,1,0,1,0,0|1,0,1]=4 8908 B16R2.1330 CC(O)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100012276601 [0,1,0,1,0,0|1,0,1]=4 8909 B16R2.1330 NC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000744528 [0,1,0,1,0,0|0,0,2]=4 8910 B16R2.1330 NC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000731001 [0,1,0,1,0,0|0,0,2]=4 8911 B16R2.27737 CC(Cc1ccccc1)NC2CC2(F)F 34a_100020610826_200011218536 [0,1,0,1,0,0|1,0,1]=4 8912 B16R2.2109 C#CCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000688953 [0,1,0,1,0,0|1,0,0]=3 8913 B16R2.2109 C#CCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000688953 [0,1,0,1,0,0|1,0,0]=3 8914 B16R2.2109 C=CCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000754431 [0,1,0,1,0,0|1,0,1]=4 8915 B16R2.2109 C=CCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000754431 [0,1,0,1,0,0|1,0,1]=4 8916 B16R2.2109 CC#CCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000748600 [0,1,0,1,0,0|1,0,1]=4 8917 B16R2.2109 CC#CCNC1(Cc2ccccc2C1)C 34a_100000706725_100000748600 [0,1,0,1,0,0|1,0,1]=4 8918 B16R2.2109 CC1(Cc2ccccc2C1)NCCC#N 2230a_100000706725_100011215226 [0,1,0,1,0,0|0,0,0]=2 8919 B16R2.2109 CC1(Cc2ccccc2C1)NCCCF 2230a_100000706725_100011934791 [0,1,0,1,0,0|1,0,1]=4 8920 B16R2.2109 CC1(Cc2ccccc2C1)NCCCF 34a_100000706725_100011934791 [0,1,0,1,0,0|1,0,1]=4 8921 B16R2.2109 CC1(Cc2ccccc2C1)NCCCO 2230a_100000706725_100000230001 [0,1,0,1,0,0|1,0,1]=4 8922 B16R2.2109 CC1(Cc2ccccc2C1)NCCCO 34a_100000706725_100000230001 [0,1,0,1,0,0|1,0,1]=4 8923 B16R2.2109 CCCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000210211 [0,1,0,1,0,0|1,0,1]=4 8924 B16R2.2109 CCCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000210210 [0,1,0,1,0,0|1,0,1]=4 8925 B16R2.2109 COCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100011201679 [0,1,0,1,0,0|2,0,0]=4 8926 B16R2.2109 COCCNC1(Cc2ccccc2C1)C 34a_100000706725_100011201679 [0,1,0,1,0,0|2,0,0]=4 8927 B16R2.2109 CSCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000751147 [0,1,0,1,0,0|2,0,0]=4 8928 B16R2.2109 CSCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000212216 [0,1,0,1,0,0|2,0,0]=4 8929 B16R2.2363 Cc1ccccc1CN2CCC(C2)C#N 2230a_100016989334_100000211839 [0,1,0,1,0,0|2,0,0]=4 8930 B16R2.2363 Cc1ccccc1CN2CCC(C2)C#N 270004a_100016989334_100000211143 [0,1,0,1,0,0|2,0,0]=4 8931 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Br 2230a_100016989334_100000184730 [0,1,0,1,0,0|2,0,0]=4 8932 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Br 26a_100016989334_100000181306 [0,1,0,1,0,0|2,0,0]=4 8933 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Br 270004a_100016989334_100000211189 [0,1,0,1,0,0|2,0,0]=4 8934 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Cl 2230a_100016989334_100000187162 [0,1,0,1,0,0|2,0,0]=4 8935 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Cl 26a_100016989334_100000210172 [0,1,0,1,0,0|2,0,0]=4 8936 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Cl 270004a_100016989334_100000210073 [0,1,0,1,0,0|2,0,0]=4 8937 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2F 2230a_100016989334_100000211605 [0,1,0,1,0,0|2,0,0]=4 8938 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2F 270004a_100016989334_100000210811 [0,1,0,1,0,0|2,0,0]=4 8939 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2I 2230a_100016989334_100011215278 [0,1,0,1,0,0|2,0,0]=4 8940 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2I 270004a_100016989334_100000010305 [0,1,0,1,0,0|2,0,0]=4 8941 B16R2.2957 CC(Cc1ccccc1Br)N2CCCC2 270004a_100000188435_100011350739 [0,1,0,1,0,0|1,0,1]=4 8942 B16R2.2957 CC(Cc1ccccc1Br)N2CCSC2 270004a_100011215254_100011350739 [0,1,0,1,0,0|2,0,0]=4 8943 B16R2.2957 CC(Cc1ccccc1Cl)N2CCCC2 270004a_100000188435_100000758791 [0,1,0,1,0,0|1,0,1]=4 8944 B16R2.2957 CC(Cc1ccccc1Cl)N2CCSC2 270004a_100011215254_100000758791 [0,1,0,1,0,0|2,0,0]=4 8945 B16R2.2957 CC(Cc1ccccc1F)N2CCCC2 270004a_100000188435_100000709178 [0,1,0,1,0,0|1,0,1]=4 8946 B16R2.2957 CC(Cc1ccccc1F)N2CCSC2 270004a_100011215254_100000709178 [0,1,0,1,0,0|2,0,0]=4 8947 B16R2.2957 Cc1ccccc1CC(C)N2CCCC2 270004a_100000188435_200000764500 [0,1,0,1,0,0|1,0,1]=4 8948 B16R2.2957 Cc1ccccc1CC(C)N2CCSC2 270004a_100011215254_200000764500 [0,1,0,1,0,0|2,0,0]=4 8949 B16R2.3658 Cc1ccccc1CN2CC(C2)CC#N 269982a_206645079572_100000211839 [0,1,0,1,0,0|2,0,0]=4 8950 B16R2.3658 Cc1ccccc1CN2CC(C2)CC#N 270004a_206645079572_100000211143 [0,1,0,1,0,0|2,0,0]=4 8951 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2Br 269982a_206645079572_100000184730 [0,1,0,1,0,0|2,0,0]=4 8952 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2Br 26a_206645079572_100000181306 [0,1,0,1,0,0|2,0,0]=4 8953 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2Br 270004a_206645079572_100000211189 [0,1,0,1,0,0|2,0,0]=4 8954 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2Cl 269982a_206645079572_100000187162 [0,1,0,1,0,0|2,0,0]=4 8955 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2Cl 26a_206645079572_100000210172 [0,1,0,1,0,0|2,0,0]=4 8956 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2Cl 270004a_206645079572_100000210073 [0,1,0,1,0,0|2,0,0]=4 8957 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2F 269982a_206645079572_100000211605 [0,1,0,1,0,0|2,0,0]=4 8958 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2F 270004a_206645079572_100000210811 [0,1,0,1,0,0|2,0,0]=4 8959 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2I 269982a_206645079572_100011215278 [0,1,0,1,0,0|2,0,0]=4 8960 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2I 270004a_206645079572_100000010305 [0,1,0,1,0,0|2,0,0]=4 8961 B16R2.6307 C#CCCNC1CC1c2ccccc2F 2230a_100000753450_100000688953 [0,1,0,1,0,0|1,0,0]=3 8962 B16R2.6307 C#CCCNC1CC1c2ccccc2F 34a_100000753450_100000688953 [0,1,0,1,0,0|1,0,0]=3 8963 B16R2.6307 C=CCCNC1CC1c2ccccc2F 2230a_100000753450_100000754431 [0,1,0,1,0,0|1,0,1]=4 8964 B16R2.6307 C=CCCNC1CC1c2ccccc2F 34a_100000753450_100000754431 [0,1,0,1,0,0|1,0,1]=4 8965 B16R2.6307 CC#CCNC1CC1c2ccccc2F 2230a_100000753450_100000748600 [0,1,0,1,0,0|1,0,1]=4 8966 B16R2.6307 CC#CCNC1CC1c2ccccc2F 34a_100000753450_100000748600 [0,1,0,1,0,0|1,0,1]=4 8967 B16R2.6307 CCCCNC1CC1c2ccccc2F 2230a_100000753450_100000210211 [0,1,0,1,0,0|1,0,1]=4 8968 B16R2.6307 CCCCNC1CC1c2ccccc2F 34a_100000753450_100000210210 [0,1,0,1,0,0|1,0,1]=4 8969 B16R2.6307 COCCNC1CC1c2ccccc2F 2230a_100000753450_100011201679 [0,1,0,1,0,0|2,0,0]=4 8970 B16R2.6307 COCCNC1CC1c2ccccc2F 34a_100000753450_100011201679 [0,1,0,1,0,0|2,0,0]=4 8971 B16R2.6307 CSCCNC1CC1c2ccccc2F 2230a_100000753450_100000751147 [0,1,0,1,0,0|2,0,0]=4 8972 B16R2.6307 CSCCNC1CC1c2ccccc2F 34a_100000753450_100000212216 [0,1,0,1,0,0|2,0,0]=4 8973 B16R2.6307 FCCCNC1CC1c2ccccc2F 2230a_100000753450_100011934791 [0,1,0,1,0,0|1,0,1]=4 8974 B16R2.6307 FCCCNC1CC1c2ccccc2F 34a_100000753450_100011934791 [0,1,0,1,0,0|1,0,1]=4 8975 B16R2.6307 N#CCCNC1CC1c2ccccc2F 2230a_100000753450_100011215226 [0,1,0,1,0,0|0,0,0]=2 8976 B16R2.6307 OCCCNC1CC1c2ccccc2F 2230a_100000753450_100000230001 [0,1,0,1,0,0|1,0,1]=4 8977 B16R2.6307 OCCCNC1CC1c2ccccc2F 34a_100000753450_100000230001 [0,1,0,1,0,0|1,0,1]=4 8978 B16R2.24867 CC(Cc1ccccc1Br)NCC2CC2 270004a_100000735609_100011350739 [0,1,0,1,0,0|1,0,1]=4 8979 B16R2.24867 CC(Cc1ccccc1Cl)NCC2CC2 270004a_100000735609_100000758791 [0,1,0,1,0,0|1,0,1]=4 8980 B16R2.24867 CC(Cc1ccccc1F)NCC2CC2 270004a_100000735609_100000709178 [0,1,0,1,0,0|1,0,1]=4 8981 B16R2.24867 Cc1ccccc1CC(C)NCC2CC2 270004a_100000735609_200000764500 [0,1,0,1,0,0|1,0,1]=4 8982 B16R2.84031 CC(Cc1ccccc1Br)NC2COC2 270004a_100016991112_100011350739 [0,1,0,1,0,0|2,0,0]=4 8983 B16R2.84031 CC(Cc1ccccc1Br)NC2CSC2 270004a_100016994217_100011350739 [0,1,0,1,0,0|2,0,0]=4 8984 B16R2.84031 CC(Cc1ccccc1Cl)NC2COC2 270004a_100016991112_100000758791 [0,1,0,1,0,0|2,0,0]=4 8985 B16R2.84031 CC(Cc1ccccc1Cl)NC2CSC2 270004a_100016994217_100000758791 [0,1,0,1,0,0|2,0,0]=4 8986 B16R2.84031 CC(Cc1ccccc1F)NC2COC2 270004a_100016991112_100000709178 [0,1,0,1,0,0|2,0,0]=4 8987 B16R2.84031 CC(Cc1ccccc1F)NC2CSC2 270004a_100016994217_100000709178 [0,1,0,1,0,0|2,0,0]=4 8988 B16R2.84031 Cc1ccccc1CC(C)NC2COC2 270004a_100016991112_200000764500 [0,1,0,1,0,0|2,0,0]=4 8989 B16R2.84031 Cc1ccccc1CC(C)NC2CSC2 270004a_100016994217_200000764500 [0,1,0,1,0,0|2,0,0]=4 8990 B16R2.889 CC1(Cc2ccccc2C1OCC#N)C 7a_200012242764_100011215382 [0,1,0,1,0,0|2,0,0]=4 8991 B16R3.5925 c1ccc2c(c1)CC(C2)N3CCCC3 269982a_100000188435_100000753484 [0,0,0,2,0,0|1,0,1]=4 8992 B16R3.5925 c1ccc2c(c1)CC(C2)N3CCSC3 269982a_100011215254_100000753484 [0,0,0,2,0,0|2,0,0]=4 8993 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3CCC3 269982a_100016998360_100000749161 [0,0,0,2,0,0|1,0,1]=4 8994 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3CCC3 270004a_100016998360_100000241760 [0,0,0,2,0,0|1,0,1]=4 8995 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3CCC3 34a_100016998360_100000749161 [0,0,0,2,0,0|1,0,1]=4 8996 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3COC3 269982a_100016998360_100000687716 [0,0,0,2,0,0|2,0,0]=4 8997 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3COC3 34a_100016998360_100009818527 [0,0,0,2,0,0|2,0,0]=4 8998 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CC3 2230a_100016998360_100000742324 [0,0,0,2,0,0|1,0,1]=4 8999 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CC3 269982a_100016998360_100000756562 [0,0,0,2,0,0|1,0,1]=4 9000 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CC3 34a_100016998360_100000742324 [0,0,0,2,0,0|1,0,1]=4 9001 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CO3 2230a_100016998360_100011216344 [0,0,0,2,0,0|1,0,1]=4 9002 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CO3 269982a_100016998360_102125554688 [0,0,0,2,0,0|1,0,1]=4 9003 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CO3 34a_100016998360_102125554688 [0,0,0,2,0,0|1,0,1]=4 9004 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CS3 269982a_100016998360_100000031435 [0,0,0,2,0,0|1,0,1]=4 9005 B16R3.6020 c1ccc(cc1)C[C@H]2CN2C[C@@H]3CO3 269982a_100016998360_100000745022 [0,0,0,2,0,0|1,0,1]=4 9006 B16R3.14531 F[C@@H]1C[C@H]1NC2Cc3ccccc3C2 34a_100025746932_100000753484 [0,0,0,2,0,0|1,0,1]=4 9007 B16R3.28685 CC1CCN1C2Cc3ccccc3C2 269982a_100000755817_100000753484 [0,0,0,2,0,0|1,0,1]=4 9008 B16R3.28685 CC1CCN1C2Cc3ccccc3C2 34a_100000755817_100000753484 [0,0,0,2,0,0|1,0,1]=4 9009 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CC3 2230a_100020588832_100000742324 [0,0,0,2,0,0|1,0,1]=4 9010 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CC3 34a_100020588832_100000742324 [0,0,0,2,0,0|1,0,1]=4 9011 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CO3 2230a_100020588832_100011216344 [0,0,0,2,0,0|1,0,1]=4 9012 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CO3 34a_100020588832_102125554688 [0,0,0,2,0,0|1,0,1]=4 9013 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 2230a_100000753258_100000742324 [0,0,0,2,0,0|1,0,1]=4 9014 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 269862a_100000753258_100000741477 [0,0,0,2,0,0|1,0,1]=4 9015 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 34a_100000735609_100000753484 [0,0,0,2,0,0|1,0,1]=4 9016 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 34a_100000753258_100000742324 [0,0,0,2,0,0|1,0,1]=4 9017 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CO3 2230a_100000753258_100011216344 [0,0,0,2,0,0|1,0,1]=4 9018 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CO3 34a_100000753258_102125554688 [0,0,0,2,0,0|1,0,1]=4 9019 B16R3.6002 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCC3 34a_100020588832_100000749161 [0,0,0,2,0,0|1,0,1]=4 9020 B16R3.6002 c1ccc(cc1)[C@H]2C[C@@H]2NC3COC3 34a_100020588832_100009818527 [0,0,0,2,0,0|2,0,0]=4 9021 B16R3.63995 c1ccc2c(c1)CC(C2)NC3CCC3 270004a_100000753258_100000241760 [0,0,0,2,0,0|1,0,1]=4 9022 B16R3.63995 c1ccc2c(c1)CC(C2)NC3CCC3 34a_100000749019_100000753484 [0,0,0,2,0,0|1,0,1]=4 9023 B16R3.63995 c1ccc2c(c1)CC(C2)NC3CCC3 34a_100000753258_100000749161 [0,0,0,2,0,0|1,0,1]=4 9024 B16R3.63995 c1ccc2c(c1)CC(C2)NC3COC3 34a_100000753258_100009818527 [0,0,0,2,0,0|2,0,0]=4 9025 B12R1.37 C#CCCNCCc1ccco1 2230a_100000694680_100000688953 [1,0,0,0,1,0|2,0,0]=4 9026 B12R1.37 C#CCCNCCc1ccco1 34a_100000694680_100000688953 [1,0,0,0,1,0|2,0,0]=4 9027 B12R1.37 C#CCCNCCc1cccs1 2230a_100000203755_100000688953 [1,0,0,0,1,0|2,0,0]=4 9028 B12R1.37 C#CCCNCCc1cccs1 34a_100000203755_100000688953 [1,0,0,0,1,0|2,0,0]=4 9029 B12R1.37 C#CCCNCCc1cccs1 34a_100000755551_100000748579 [1,0,0,0,1,0|2,0,0]=4 9030 B12R1.37 C#CCCNCCc1ccsc1 2230a_100000692642_100000688953 [1,0,0,0,1,0|2,0,0]=4 9031 B12R1.37 C#CCCNCCc1ccsc1 34a_100000692642_100000688953 [1,0,0,0,1,0|2,0,0]=4 9032 B12R1.37 C#CCCNCCn1cccc1 34a_100011368172_100000688953 [1,0,0,0,1,0|2,0,0]=4 9033 B12R1.37 N#CCCNCCc1ccco1 2230a_100000694680_100011215226 [1,0,0,0,1,0|1,0,0]=3 9034 B12R1.37 N#CCCNCCc1cccs1 2230a_100000203755_100011215226 [1,0,0,0,1,0|1,0,0]=3 9035 B12R1.37 N#CCCNCCc1ccsc1 2230a_100000692642_100011215226 [1,0,0,0,1,0|1,0,0]=3 9036 B12R1.37 N#CCCNCCc1cn[nH]c1 2230a_100000732747_100011215226 [1,0,0,0,1,0|2,0,0]=4 9037 B12R1.37 N#CCCNCCc1cncs1 2230a_100016991637_100011215226 [1,0,0,0,1,0|2,0,0]=4 9038 B12R1.37 N#CCCNCCc1nccs1 2230a_100015186391_100011215226 [1,0,0,0,1,0|2,0,0]=4 9039 B12R1.37 N#CCCNCCn1cccn1 2230a_100011200920_100011215226 [1,0,0,0,1,0|2,0,0]=4 9040 B12R1.37 N#CCCOCCc1cccs1 7a_100011216825_100000184422 [1,0,0,0,1,0|2,0,0]=4 9041 B12R1.37 N#CCCSCCc1cccs1 62a_100000748579_100011215226 [1,0,0,0,1,0|2,0,0]=4 9042 B12R1.37 N#CCCSCCc1cccs1 62a_100011215226_100000748579 [1,0,0,0,1,0|2,0,0]=4 9043 B12R1.37 N#CCCSCCn1cccc1 62a_100011215226_200000035178 [1,0,0,0,1,0|2,0,0]=4 9044 B12R1.37 N#CCCSCCn1cccc1 62a_200009811947_100011215226 [1,0,0,0,1,0|2,0,0]=4 9045 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [1,0,0,0,1,0|2,0,0]=4 9046 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [1,0,0,0,1,0|2,0,0]=4 9047 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [1,0,0,0,1,0|2,0,0]=4 9048 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [1,0,0,0,1,0|0,0,1]=3 9049 B12R1.30 C#CCNC(C)c1ccccn1 2230a_100000181244_100000038162 [1,0,0,0,1,0|1,0,1]=4 9050 B12R1.30 C#CCNC(C)c1cccnc1 2230a_100000195435_100000038162 [1,0,0,0,1,0|1,0,1]=4 9051 B12R1.30 C#CCNC(C)c1ccncc1 2230a_100000181269_100000038162 [1,0,0,0,1,0|1,0,1]=4 9052 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [1,0,0,0,1,0|0,0,1]=3 9053 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [1,0,0,0,1,0|1,0,1]=4 9054 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [1,0,0,0,1,0|1,0,1]=4 9055 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [1,0,0,0,1,0|1,0,1]=4 9056 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [1,0,0,0,1,0|1,0,1]=4 9057 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [1,0,0,0,1,0|0,0,2]=4 9058 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [1,0,0,0,1,0|0,0,2]=4 9059 B12R1.30 CC(NCC#N)c1ccccn1 2230a_100000181244_100011215382 [1,0,0,0,1,0|1,0,0]=3 9060 B12R1.30 CC(NCC#N)c1cccnc1 2230a_100000195435_100011215382 [1,0,0,0,1,0|1,0,0]=3 9061 B12R1.30 CC(NCC#N)c1ccncc1 2230a_100000181269_100011215382 [1,0,0,0,1,0|1,0,0]=3 9062 B12R1.30 CC(NCC#N)c1ncccn1 2230a_100020641698_100011215382 [1,0,0,0,1,0|2,0,0]=4 9063 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,0,0,0,1,0|1,0,0]=3 9064 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,0,0,0,1,0|1,0,0]=3 9065 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [1,0,0,0,1,0|2,0,0]=4 9066 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [1,0,0,0,1,0|2,0,0]=4 9067 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [1,0,0,0,1,0|2,0,0]=4 9068 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [1,0,0,0,1,0|2,0,0]=4 9069 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [1,0,0,0,1,0|2,0,0]=4 9070 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [1,0,0,0,1,0|2,0,0]=4 9071 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,0,0,0,1,0|1,0,0]=3 9072 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,0,0,0,1,0|1,0,0]=3 9073 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,0,0,0,1,0|1,0,0]=3 9074 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [1,0,0,0,1,0|2,0,0]=4 9075 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [1,0,0,0,1,0|2,0,0]=4 9076 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [1,0,0,0,1,0|2,0,0]=4 9077 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [1,0,0,0,1,0|2,0,0]=4 9078 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [1,0,0,0,1,0|2,0,0]=4 9079 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [1,0,0,0,1,0|2,0,0]=4 9080 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [1,0,0,0,1,0|2,0,0]=4 9081 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [1,0,0,0,1,0|1,0,1]=4 9082 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [1,0,0,0,1,0|1,0,0]=3 9083 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [1,0,0,0,1,0|1,0,0]=3 9084 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [1,0,0,0,1,0|2,0,0]=4 9085 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [1,0,0,0,1,0|2,0,0]=4 9086 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [1,0,0,0,1,0|2,0,0]=4 9087 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [1,0,0,0,1,0|2,0,0]=4 9088 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,0,0,0,1,0|0,0,1]=3 9089 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [1,0,0,0,1,0|1,0,1]=4 9090 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [1,0,0,0,1,0|1,0,1]=4 9091 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [1,0,0,0,1,0|1,0,1]=4 9092 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [1,0,0,0,1,0|1,0,1]=4 9093 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [1,0,0,0,1,0|1,0,1]=4 9094 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [1,0,0,0,1,0|1,0,1]=4 9095 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,0,0,0,1,0|0,0,1]=3 9096 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,0,0,0,1,0|1,0,1]=4 9097 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,0,0,0,1,0|1,0,1]=4 9098 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,0,0,0,1,0|1,0,1]=4 9099 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,0,0,0,1,0|1,0,1]=4 9100 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,0,0,0,1,0|1,0,1]=4 9101 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [1,0,0,0,1,0|1,0,0]=3 9102 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [1,0,0,0,1,0|1,0,0]=3 9103 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [1,0,0,0,1,0|1,0,0]=3 9104 B12R1.30 CN(CSC#N)c1ccccc1 269982a_100000210012_100000211825 [1,0,0,0,1,0|2,0,0]=4 9105 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,0,0,0,1,0|2,0,0]=4 9106 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,0,0,0,1,0|1,0,1]=4 9107 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,0,0,0,1,0|1,0,1]=4 9108 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [1,0,0,0,1,0|0,0,0]=2 9109 B12R1.30 C[C@@H](NCC#N)c1cnccn1 2230a_100020589798_100011215382 [1,0,0,0,1,0|2,0,0]=4 9110 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,0,0,0,1,0|1,0,1]=4 9111 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,0,0,0,1,0|1,0,0]=3 9112 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,0,0,0,1,0|1,0,0]=3 9113 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [1,0,0,0,1,0|1,0,0]=3 9114 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [1,0,0,0,1,0|2,0,0]=4 9115 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [1,0,0,0,1,0|2,0,0]=4 9116 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [1,0,0,0,1,0|2,0,0]=4 9117 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [1,0,0,0,1,0|2,0,0]=4 9118 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [1,0,0,0,1,0|1,0,1]=4 9119 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [1,0,0,0,1,0|1,0,1]=4 9120 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [1,0,0,0,1,0|1,0,1]=4 9121 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [1,0,0,0,1,0|1,0,0]=3 9122 B12R1.53 C#CCNC(C)Cc1cccs1 2230a_100000751415_100000038162 [1,0,0,0,1,0|1,0,1]=4 9123 B12R1.53 C#CCNC(C)Cc1ccsc1 2230a_100000743546_100000038162 [1,0,0,0,1,0|1,0,1]=4 9124 B12R1.53 C#CCNC(C)Cc1ccsc1 34a_100000743546_100000184674 [1,0,0,0,1,0|1,0,1]=4 9125 B12R1.53 CC(Cc1ccco1)NCCO 270004a_100000210304_100011216958 [1,0,0,0,1,0|2,0,0]=4 9126 B12R1.53 CC(Cc1ccco1)OCC#N 7a_100011803939_100011215382 [1,0,0,0,1,0|2,0,0]=4 9127 B12R1.53 CC(Cc1cccs1)NCC#N 2230a_100000751415_100011215382 [1,0,0,0,1,0|1,0,0]=3 9128 B12R1.53 CC(Cc1cccs1)NCCF 2230a_100000751415_100011217306 [1,0,0,0,1,0|2,0,0]=4 9129 B12R1.53 CC(Cc1cccs1)NCCO 2230a_100000751415_100000211926 [1,0,0,0,1,0|2,0,0]=4 9130 B12R1.53 CC(Cc1ccsc1)NCC#N 2230a_100000743546_100011215382 [1,0,0,0,1,0|1,0,0]=3 9131 B12R1.53 CC(Cc1ccsc1)NCCF 2230a_100000743546_100011217306 [1,0,0,0,1,0|2,0,0]=4 9132 B12R1.53 CC(Cc1ccsc1)NCCF 34a_100000743546_100011217306 [1,0,0,0,1,0|2,0,0]=4 9133 B12R1.53 CC(Cc1ccsc1)NCCO 2230a_100000743546_100000211926 [1,0,0,0,1,0|2,0,0]=4 9134 B12R1.53 CC(Cc1ccsc1)NCCO 34a_100000743546_100000211926 [1,0,0,0,1,0|2,0,0]=4 9135 B12R1.53 CC(Cn1cccn1)NCC#N 2230a_100000738251_100011215382 [1,0,0,0,1,0|2,0,0]=4 9136 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [1,0,0,0,1,0|1,0,1]=4 9137 B12R1.53 CCCNC(C)Cc1cccs1 2230a_100000751415_100000210303 [1,0,0,0,1,0|1,0,1]=4 9138 B12R1.53 CCCNC(C)Cc1ccsc1 2230a_100000743546_100000210303 [1,0,0,0,1,0|1,0,1]=4 9139 B12R1.53 CCCNC(C)Cc1ccsc1 34a_100000743546_100000210303 [1,0,0,0,1,0|1,0,1]=4 9140 B12R1.53 CN(CCC#N)Cc1ccco1 2230a_100000177371_200000210301 [1,0,0,0,1,0|2,0,0]=4 9141 B12R1.53 CN(CCC#N)Cc1ccco1 2230a_100000185268_100011215226 [1,0,0,0,1,0|2,0,0]=4 9142 B12R1.53 CN(CCC#N)Cc1ccco1 269982a_100000185268_100011215226 [1,0,0,0,1,0|2,0,0]=4 9143 B12R1.53 CN(CCC#N)Cc1ccco1 270004a_100000184479_100000186105 [1,0,0,0,1,0|2,0,0]=4 9144 B12R1.53 CN(CCC#N)Cc1cccs1 2230a_100000184426_100011215226 [1,0,0,0,1,0|2,0,0]=4 9145 B12R1.53 CN(CCC#N)Cc1cccs1 269982a_100000184426_100011215226 [1,0,0,0,1,0|2,0,0]=4 9146 B12R1.53 CN(CCC#N)Cc1cccs1 270004a_100000184479_100000209959 [1,0,0,0,1,0|2,0,0]=4 9147 B12R1.53 CN(CCC#N)Cc1ccoc1 270004a_100000184479_100011215517 [1,0,0,0,1,0|2,0,0]=4 9148 B12R1.53 CN(CCC#N)Cc1ccsc1 2230a_100000184479_100011261437 [1,0,0,0,1,0|2,0,0]=4 9149 B12R1.53 CN(CCC#N)Cc1ccsc1 2230a_100020654213_100011215226 [1,0,0,0,1,0|2,0,0]=4 9150 B12R1.53 CN(CCC#N)Cc1ccsc1 269982a_100020654213_100011215226 [1,0,0,0,1,0|2,0,0]=4 9151 B12R1.53 CN(CCC#N)Cc1ccsc1 270004a_100000184479_100000188534 [1,0,0,0,1,0|2,0,0]=4 9152 B12R1.53 [13CH3]N(CCC#N)Cc1ccco1 2230a_100000177371_200025704644 [1,0,0,0,1,0|2,0,0]=4 9153 B12R1.35 C#CCCNC(C)c1cccs1 2230a_100000703493_100000688953 [0,0,0,0,2,0|2,0,0]=4 9154 B12R1.35 C#CCCNC(C)c1ccoc1 2230a_100000690049_100000688953 [0,0,0,0,2,0|2,0,0]=4 9155 B12R1.35 C#CCCNC(C)c1ccsc1 2230a_100000748604_100000688953 [0,0,0,0,2,0|2,0,0]=4 9156 B12R1.35 C#CCCN[C@H](C)c1ccco1 2230a_100160469435_100000688953 [0,0,0,0,2,0|2,0,0]=4 9157 B12R1.35 CC(NCCC#N)c1cccs1 2230a_100000703493_100011215226 [0,0,0,0,2,0|1,0,0]=3 9158 B12R1.35 CC(NCCC#N)c1ccoc1 2230a_100000690049_100011215226 [0,0,0,0,2,0|1,0,0]=3 9159 B12R1.35 CC(NCCC#N)c1ccsc1 2230a_100000748604_100011215226 [0,0,0,0,2,0|1,0,0]=3 9160 B12R1.35 CC(NCCC#N)c1nccs1 2230a_100000725601_100011215226 [0,0,0,0,2,0|2,0,0]=4 9161 B12R1.35 CC(OCCC#N)c1ccsc1 7a_100011350980_100000184422 [0,0,0,0,2,0|2,0,0]=4 9162 B12R1.35 C[C@@H](NCCC#N)c1ccco1 2230a_100160469435_100011215226 [0,0,0,0,2,0|1,0,0]=3 9163 B12R1.35 C[C@@H](OCCC#N)c1cccs1 7a_100000750433_100000184422 [0,0,0,0,2,0|2,0,0]=4 9164 B12R1.35 C[C@H](OCCC#N)c1ccco1 7a_100000755270_100000184422 [0,0,0,0,2,0|2,0,0]=4 9165 B16R1.1694 C#CCCNC(C)CCCc1ccccc1 34a_100000755551_200010759516 [0,0,0,0,0,2|1,0,0]=3 9166 B16R1.1694 C#CCCOC(C)CCCc1ccccc1 34a_100011215631_200010759516 [0,0,0,0,0,2|2,0,0]=4 9167 B16R1.1694 C#CCCOC(C)COCc1ccccc1 34a_100000764311_100000688953 [0,0,0,0,0,2|2,0,0]=4 9168 B16R1.1694 C#CCCOC(C)COCc1ccccc1 7a_100000764311_100000688953 [0,0,0,0,0,2|2,0,0]=4 9169 B16R1.1694 C#CCCSC(C)CCCc1ccccc1 62a_100000688953_200010759516 [0,0,0,0,0,2|2,0,0]=4 9170 B16R1.1694 C#CCCSC(C)CCCc1ccccc1 62a_200010759516_100000688953 [0,0,0,0,0,2|2,0,0]=4 9171 B16R1.1694 C=CCCNC(C)CCCc1ccccc1 2230a_100015191253_200010759516 [0,0,0,0,0,2|1,0,1]=4 9172 B16R1.1694 C=CCCNC(C)COCc1ccccc1 270004a_100015191253_100011215004 [0,0,0,0,0,2|1,0,1]=4 9173 B16R1.1694 C=CCCNC(C)CSCc1ccccc1 270004a_100015191253_100000172147 [0,0,0,0,0,2|1,0,1]=4 9174 B16R1.1694 CC#CCNC(C)CCCc1ccccc1 2230a_100000685387_200010759516 [0,0,0,0,0,2|1,0,1]=4 9175 B16R1.1694 CC#CCNC(C)CCCc1ccccc1 34a_100000685387_200010759516 [0,0,0,0,0,2|1,0,1]=4 9176 B16R1.1694 CC(=NNCc1ccccc1)CCCC#N 4a_100000007032_200000032708 [0,0,0,0,0,2|1,0,1]=4 9177 B16R1.1694 CC(CCCC#N)NCCc1ccccc1 270004a_100000106460_200000032708 [0,0,0,0,0,2|1,0,0]=3 9178 B16R1.1694 CC(CCCC#N)NCCc1ccccn1 270004a_100000211156_200000032708 [0,0,0,0,0,2|2,0,0]=4 9179 B16R1.1694 CC(CCCC#N)NCCc1cccnc1 270004a_100000736294_200000032708 [0,0,0,0,0,2|2,0,0]=4 9180 B16R1.1694 CC(CCCC#N)NCCc1ccncc1 270004a_100000742849_200000032708 [0,0,0,0,0,2|2,0,0]=4 9181 B16R1.1694 CC(CCCc1ccccc1)NCCCF 2230a_100015189416_200010759516 [0,0,0,0,0,2|1,0,1]=4 9182 B16R1.1694 CC(CCCc1ccccc1)NCCCF 34a_100015189416_200010759516 [0,0,0,0,0,2|1,0,1]=4 9183 B16R1.1694 CC(CCCc1ccccc1)SCCC#N 62a_100011215226_200010759516 [0,0,0,0,0,2|1,0,0]=3 9184 B16R1.1694 CC(CCCc1ccccc1)SCCC#N 62a_200010759516_100011215226 [0,0,0,0,0,2|1,0,0]=3 9185 B16R1.1694 CC(CCCc1ccccc1)SCSC#N 62a_100000211825_200010759516 [0,0,0,0,0,2|2,0,0]=4 9186 B16R1.1694 CC(CCCc1ccccc1)SCSC#N 62a_200010759516_100000211825 [0,0,0,0,0,2|2,0,0]=4 9187 B16R1.1694 CC(COCC#N)COCc1ccccc1 7a_200011216033_100011215382 [0,0,0,0,0,2|2,0,0]=4 9188 B16R1.1694 CC(COCc1ccccc1)CSCC#N 62a_100011215382_100011216253 [0,0,0,0,0,2|2,0,0]=4 9189 B16R1.1694 CC(COCc1ccccc1)CSCC#N 62a_100011216253_100011215382 [0,0,0,0,0,2|2,0,0]=4 9190 B16R1.1694 CC(COCc1ccccc1)NCCC#N 270004a_100000720768_100011215004 [0,0,0,0,0,2|0,0,0]=2 9191 B16R1.1694 CC(COCc1ccccc1)NCCCF 270004a_100015189416_100011215004 [0,0,0,0,0,2|1,0,1]=4 9192 B16R1.1694 CC(COCc1ccccc1)NCCCO 270004a_100000182051_100011215004 [0,0,0,0,0,2|1,0,1]=4 9193 B16R1.1694 CC(COCc1ccccc1)OCCC#N 7a_100000764311_100000184422 [0,0,0,0,0,2|1,0,0]=3 9194 B16R1.1694 CC(CSCc1ccccc1)NCCC#N 270004a_100000720768_100000172147 [0,0,0,0,0,2|0,0,0]=2 9195 B16R1.1694 CC(CSCc1ccccc1)NCCCF 270004a_100015189416_100000172147 [0,0,0,0,0,2|1,0,1]=4 9196 B16R1.1694 CC(CSCc1ccccc1)NCCCO 270004a_100000182051_100000172147 [0,0,0,0,0,2|1,0,1]=4 9197 B16R1.1694 CCCCNC(C)CCCc1ccccc1 2230a_100000102301_200010759516 [0,0,0,0,0,2|1,0,1]=4 9198 B16R1.1694 CCCCNC(C)CCCc1ccccc1 7a_106832991798_200010759516 [0,0,0,0,0,2|1,0,1]=4 9199 B16R1.1694 CCCCNC(C)COCc1ccccc1 270004a_100000102301_100011215004 [0,0,0,0,0,2|1,0,1]=4 9200 B16R1.1694 CCCCNC(C)CSCc1ccccc1 270004a_100000102301_100000172147 [0,0,0,0,0,2|1,0,1]=4 9201 B16R1.1694 CN(CCCC#N)CCCc1ccccc1 2230a_100000693637_100000687738 [0,0,0,0,0,2|2,0,0]=4 9202 B16R1.1694 CN(CCCC#N)CCCc1ccccc1 269982a_100000693637_100000687738 [0,0,0,0,0,2|2,0,0]=4 9203 B16R1.1694 CN(CCCC#N)CCOc1ccccc1 2230a_100000184383_100000687738 [0,0,0,0,0,2|2,0,0]=4 9204 B16R1.1694 CN(CCCC#N)CCOc1ccccc1 269982a_100000184383_100000687738 [0,0,0,0,0,2|2,0,0]=4 9205 B16R1.1694 COCCNC(C)CCCc1ccccc1 2230a_100000209980_200010759516 [0,0,0,0,0,2|2,0,0]=4 9206 B16R1.1694 COCCNC(C)COCc1ccccc1 270004a_100000209980_100011215004 [0,0,0,0,0,2|2,0,0]=4 9207 B16R1.1694 COCCNC(C)CSCc1ccccc1 270004a_100000209980_100000172147 [0,0,0,0,0,2|2,0,0]=4 9208 B16R1.1694 CSCCNC(C)CCCc1ccccc1 2230a_100020590264_200010759516 [0,0,0,0,0,2|2,0,0]=4 9209 B16R1.1694 CSCCNC(C)COCc1ccccc1 270004a_100020590264_100011215004 [0,0,0,0,0,2|2,0,0]=4 9210 B16R1.1694 CSCCNC(C)CSCc1ccccc1 270004a_100020590264_100000172147 [0,0,0,0,0,2|2,0,0]=4 9211 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 11a_100000720768_100011219626 [0,0,0,0,0,2|1,0,1]=4 9212 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 1626a_100000720768_100011219626 [0,0,0,0,0,2|1,0,1]=4 9213 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 240690a_100000720768_100011219626 [0,0,0,0,0,2|1,0,1]=4 9214 B16R1.1694 N#CCCNC(=O)CCCc1ccccc1 11a_100000720768_100011207963 [0,0,0,0,0,2|1,0,1]=4 9215 B16R1.1694 N#CCCNC(=O)CCCc1ccccc1 1626a_100000720768_100011207963 [0,0,0,0,0,2|1,0,1]=4 9216 B16R1.1694 N#CCCNC(=O)CCCc1ccccc1 240690a_100000720768_100011207963 [0,0,0,0,0,2|1,0,1]=4 9217 B16R1.1694 N#CCCNC(=O)CCCc1ccccc1 527a_100000720768_100011207963 [0,0,0,0,0,2|1,0,1]=4 9218 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 11a_100000720768_100000182761 [0,0,0,0,0,2|1,0,1]=4 9219 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 1626a_100000720768_100000182761 [0,0,0,0,0,2|1,0,1]=4 9220 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 240690a_100000720768_100000182761 [0,0,0,0,0,2|1,0,1]=4 9221 B16R1.1694 N#CCCNC(=O)CCSc1ccccc1 11a_100000720768_100000182436 [0,0,0,0,0,2|1,0,1]=4 9222 B16R1.1694 N#CCCNC(=O)CCSc1ccccc1 1626a_100000720768_100000182436 [0,0,0,0,0,2|1,0,1]=4 9223 B16R1.1694 N#CCCNC(=O)CCSc1ccccc1 240690a_100000720768_100000182436 [0,0,0,0,0,2|1,0,1]=4 9224 B16R1.1694 N#CCCNC(=O)COCc1ccccc1 11a_100000720768_100000230186 [0,0,0,0,0,2|1,0,1]=4 9225 B16R1.1694 N#CCCNC(=O)COCc1ccccc1 1626a_100000720768_100000230186 [0,0,0,0,0,2|1,0,1]=4 9226 B16R1.1694 N#CCCNC(=O)COCc1ccccc1 240690a_100000720768_100000230186 [0,0,0,0,0,2|1,0,1]=4 9227 B16R1.1694 N#CCCNC(=O)COCc1ccccc1 527a_100000720768_100000230186 [0,0,0,0,0,2|1,0,1]=4 9228 B16R1.1694 N#CCCNC(=O)CSCc1ccccc1 11a_100000720768_100000150264 [0,0,0,0,0,2|1,0,1]=4 9229 B16R1.1694 N#CCCNC(=O)CSCc1ccccc1 1626a_100000720768_100000150264 [0,0,0,0,0,2|1,0,1]=4 9230 B16R1.1694 N#CCCNC(=O)CSCc1ccccc1 240690a_100000720768_100000150264 [0,0,0,0,0,2|1,0,1]=4 9231 B16R1.1694 N#CCCNC(=O)CSCc1ccccc1 527a_100000720768_100000150264 [0,0,0,0,0,2|1,0,1]=4 9232 B16R1.1694 N#CCCNC(=O)NCCc1ccccc1 2708a_100000106460_100000720768 [0,0,0,0,0,2|1,0,1]=4 9233 B16R1.1694 N#CCCNC(=O)NCCc1ccccc1 2708a_100000720768_100000106460 [0,0,0,0,0,2|1,0,1]=4 9234 B16R1.1694 N#CCCNC(=O)NCCc1ccccc1 273464a_100000106460_100000720768 [0,0,0,0,0,2|1,0,1]=4 9235 B16R1.1694 N#CCCNC(=O)NCCc1ccccc1 273464a_100000720768_100000106460 [0,0,0,0,0,2|1,0,1]=4 9236 B16R1.1694 N#CCCNC(=O)NCCc1ccccc1 512a_100000106460_100000720768 [0,0,0,0,0,2|1,0,1]=4 9237 B16R1.1694 N#CCCNC(=O)NCCc1ccccc1 512a_100000720768_100000106460 [0,0,0,0,0,2|1,0,1]=4 9238 B16R1.1694 N#CCCNC(=O)NNCc1ccccc1 273464a_100000720768_100000007032 [0,0,0,0,0,2|1,0,1]=4 9239 B16R1.1694 N#CCCNC(=O)NNCc1ccccc1 512a_100000720768_100000007032 [0,0,0,0,0,2|1,0,1]=4