0 B30R4.31890878 Cc1nc(c2c(cccc2n1)NCC3CCN(CC3)Cc4ccccc4)O 27a_100000744725_200010988834 [0,0,0,0,0,0|3,0,0]=3 1 B30R4.31890878 Cc1nc2cccc(c2c(=O)o1)NCC3CCN(CC3)Cc4ccccc4 27a_100000744725_200010128068 [0,0,0,0,0,0|4,0,0]=4 2 B30R4.31890878 Cc1nc2cccc(c2c(=O)o1)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_200010128068 [0,0,0,0,0,0|3,1,0]=4 3 B30R4.31890878 Nc1nc(c2c(cccc2n1)SCC3CCN(CC3)Cc4ccccc4)N 62a_200011217714_200015183350 [0,0,0,0,0,0|0,1,0]=1 4 B29R4.3271795 Cc1ccc2c(cccc2n1)NCC3CCN(CC3)Cc4ccccc4 27a_100000744725_100010173736 [1,0,0,0,0,0|3,0,0]=4 5 B29R4.3271795 Cc1ccc2c(cccc2n1)SCC3CCN(CC3)Cc4ccccc4 62a_100010173736_200015183350 [1,0,0,0,0,0|2,1,0]=4 6 B29R4.3271795 Cc1ccc2c(cccc2n1)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100010173736 [1,0,0,0,0,0|2,1,0]=4 7 B29R4.3271795 Nc1cc2cccc(c2cn1)SCC3CCN(CC3)Cc4ccccc4 62a_100010201637_200015183350 [1,0,0,0,0,0|1,1,0]=3 8 B29R4.3271795 Nc1cc2cccc(c2cn1)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100010201637 [1,0,0,0,0,0|1,1,0]=3 9 B29R4.3271795 Nc1ccc2c(cccc2n1)SCC3CCN(CC3)Cc4ccccc4 62a_100000723655_200015183350 [1,0,0,0,0,0|1,1,0]=3 10 B29R4.3271795 Nc1ncc2c(cccc2n1)NCC3=CCN(CC3)Cc4ccccc4 27a_100010580328_100010209551 [1,0,0,0,0,0|1,0,2]=4 11 B29R4.3271795 Nc1ncc2c(cccc2n1)NCC3CCN(CC3)Cc4ccccc4 27a_100000744725_100010209551 [1,0,0,0,0,0|1,0,0]=2 12 B29R4.3271795 Nc1ncc2c(cccc2n1)SCC3CCN(CC3)Cc4ccccc4 62a_100010209551_200015183350 [1,0,0,0,0,0|0,1,0]=2 13 B29R4.3271795 Nc1ncc2c(cccc2n1)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100010209551 [1,0,0,0,0,0|0,1,0]=2 14 B29R4.3271795 Oc1cc2cccc(c2cn1)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100009817091 [1,0,0,0,0,0|2,1,0]=4 15 B29R4.353796260 Nc1cccc2c1c(ccc2)SCC3CCN(CC3)Cc4ccccc4 62a_100010002837_200015183350 [1,0,0,0,0,0|2,1,0]=4 16 B29R4.353796260 Nc1nccc2c1c(ccc2)SCC3CCN(CC3)Cc4ccccc4 62a_100010291105_200015183350 [1,0,0,0,0,0|1,1,0]=3 17 B29R4.353796260 Nc1ncnc2c1c(ccc2)NCC3=CCN(CC3)Cc4ccccc4 27a_100010580328_100010171649 [1,0,0,0,0,0|1,0,2]=4 18 B29R4.353796260 Nc1ncnc2c1c(ccc2)NCC3CCN(CC3)Cc4ccccc4 27a_100000744725_100010171649 [1,0,0,0,0,0|1,0,0]=2 19 B29R4.353796260 Nc1ncnc2c1c(ccc2)SCC3CCN(CC3)Cc4ccccc4 62a_100010171649_200015183350 [1,0,0,0,0,0|0,1,0]=2 20 B29R4.353796260 O=c1[nH]cnc2c1c(ccc2)NCC3CCN(CC3)Cc4ccccc4 27a_100000744725_100000696754 [1,0,0,0,0,0|2,0,1]=4 21 B29R4.353796260 O=c1[nH]cnc2c1c(ccc2)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100000696754 [1,0,0,0,0,0|1,1,1]=4 22 B29R4.353796260 Oc1nccc2c1c(ccc2)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100010162479 [1,0,0,0,0,0|2,1,0]=4 23 B31R4.50907813 Cc1nc(c2c(cccc2n1)N(C)CC3CCN(CC3)Cc4ccccc4)O 27a_100011645559_200010988834 [0,1,0,0,0,0|3,0,0]=4 24 B31R4.345155143 Cc1nc(c2c(cccc2n1)NCC3CCN(CC3)Cc4ccccc4Cl)O 27a_100000301467_200010988834 [0,1,0,0,0,0|3,0,0]=4 25 B31R4.345155143 Cc1nc(c2c(cccc2n1)NCC3CCN(CC3)Cc4ccccc4F)O 27a_100103158603_200010988834 [0,1,0,0,0,0|3,0,0]=4 26 B31R4.459416656 Cc1ccc(cc1)CN2CCC(CC2)CNc3cccc4c3c(nc(n4)C)O 27a_100025790405_200010988834 [0,1,0,0,0,0|3,0,0]=4 27 B29R4.38209716 Cn1nc(c2c1cccc2SCC3CCN(CC3)Cc4ccccc4)N 62a_100010211377_200015183350 [0,0,0,0,1,0|2,1,0]=4 28 B29R4.38267122 Cc1nc(c2c(cccc2n1)NC3CCN(CC3)Cc4ccccc4)O 27a_100000180093_200010988834 [0,0,0,0,1,0|3,0,0]=4 29 B29R4.38267122 Nc1nc(c2c(cccc2n1)SC3CCN(CC3)Cc4ccccc4)N 62a_200011217714_100011860369 [0,0,0,0,1,0|0,1,0]=2 30 B29R4.38267289 Nc1nc(c2c(n[nH]c2n1)SCC3CCN(CC3)Cc4ccccc4)N 62a_100010293082_200015183350 [0,0,0,0,1,0|2,1,0]=4 31 B29R4.38273630 Cc1nc(c2c(cccc2n1)NCC3CCN(C3)Cc4ccccc4)O 27a_100000749532_200010988834 [0,0,0,0,1,0|3,0,0]=4 32 B31R4.50907689 Cc1nc(c2c(cccc2n1)NCCC3CCN(CC3)Cc4ccccc4)O 27a_100011216637_200010988834 [0,0,0,0,0,1|3,0,0]=4 33 B31R4.50907759 Cc1nc(c2c(cccc2n1)NCC3CCN(CC3)CCc4ccccc4)O 27a_100000301415_200010988834 [0,0,0,0,0,1|3,0,0]=4 34 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CNc3cccc4c3cccn4 27a_100000744725_100011290932 [2,0,0,0,0,0|2,0,0]=4 35 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CNc3cccc4c3cncn4 27a_100000744725_100009814520 [2,0,0,0,0,0|1,0,0]=3 36 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CSc3cccc4c3cccn4 62a_100011290932_200015183350 [2,0,0,0,0,0|1,1,0]=4 37 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CSc3cccc4c3cccn4 62a_200015183350_100011290932 [2,0,0,0,0,0|1,1,0]=4 38 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CSc3cccc4c3cncc4 62a_100000685578_200015183350 [2,0,0,0,0,0|1,1,0]=4 39 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CSc3cccc4c3cncc4 62a_200015183350_100000685578 [2,0,0,0,0,0|1,1,0]=4 40 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CSc3cccc4c3cncn4 62a_100009814520_200015183350 [2,0,0,0,0,0|0,1,0]=3 41 B28R4.14809 c1ccc(cc1)CN2CCC(CC2)CSc3cccc4c3cncn4 62a_200015183350_100009814520 [2,0,0,0,0,0|0,1,0]=3 42 B30R4.3234298 CN(CC1CCN(CC1)Cc2ccccc2)c3cccc4c3cnc(n4)N 27a_100011645559_100010209551 [1,1,0,0,0,0|1,0,0]=3 43 B30R4.24073051 Nc1ncc2c(cccc2n1)NCC3CCN(CC3)Cc4ccccc4Cl 27a_100000301467_100010209551 [1,1,0,0,0,0|1,0,0]=3 44 B30R4.24073051 Nc1ncc2c(cccc2n1)NCC3CCN(CC3)Cc4ccccc4F 27a_100103158603_100010209551 [1,1,0,0,0,0|1,0,0]=3 45 B30R4.308725356 Cc1ccc(cc1)CN2CCC(CC2)CNc3cccc4c3cnc(n4)N 27a_100025790405_100010209551 [1,1,0,0,0,0|1,0,0]=3 46 B30R4.221558547 CN(CC1CCN(CC1)Cc2ccccc2)c3cccc4c3c(ncn4)N 27a_100011645559_100010171649 [1,1,0,0,0,0|1,0,0]=3 47 B30R4.230140452 Nc1ncnc2c1c(ccc2)NCC3CCN(CC3)Cc4ccccc4Cl 27a_100000301467_100010171649 [1,1,0,0,0,0|1,0,0]=3 48 B30R4.230140452 Nc1ncnc2c1c(ccc2)NCC3CCN(CC3)Cc4ccccc4F 27a_100103158603_100010171649 [1,1,0,0,0,0|1,0,0]=3 49 B30R4.308728321 Cc1ccc(cc1)CN2CCC(CC2)CNc3cccc4c3c(ncn4)N 27a_100025790405_100010171649 [1,1,0,0,0,0|1,0,0]=3 50 B32R4.47216269 Nc1nc(c2c(cccc2n1)SCC(=O)N3CCN(CC3)Cc4ccccc4)N 62a_200011217714_100025743246 [0,1,0,0,0,1|1,1,0]=4 51 B30R4.43905777 Nc1nc(c2ccc(cc2n1)SCC3CCN(CC3)Cc4ccccc4)N 62a_100012355061_200015183350 [0,0,1,1,0,0|0,1,0]=3 52 B28R4.12077 Nc1noc2c1cccc2SCC3CCN(CC3)Cc4ccccc4 62a_100010069758_200015183350 [1,0,0,0,1,0|1,1,0]=4 53 B28R4.12077 Nc1noc2c1cccc2SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100010069758 [1,0,0,0,1,0|1,1,0]=4 54 B28R4.2854487 Nc1cc2cccc(c2cn1)SC3CCN(CC3)Cc4ccccc4 62a_100010201637_100011860369 [1,0,0,0,1,0|1,1,0]=4 55 B28R4.2854487 Nc1ccc2c(cccc2n1)SC3CCN(CC3)Cc4ccccc4 62a_100000723655_100011860369 [1,0,0,0,1,0|1,1,0]=4 56 B28R4.2854487 Nc1ncc2c(cccc2n1)NC3CCN(CC3)Cc4ccccc4 27a_100000180093_100010209551 [1,0,0,0,1,0|1,0,0]=3 57 B28R4.2854487 Nc1ncc2c(cccc2n1)NC3CCN(CC3)Cc4cccnc4 27a_100000755617_100010209551 [1,0,0,0,1,0|2,0,0]=4 58 B28R4.2854487 Nc1ncc2c(cccc2n1)SC3CCN(CC3)Cc4ccccc4 62a_100010209551_100011860369 [1,0,0,0,1,0|0,1,0]=3 59 B28R4.2884726 Nc1ncc2c(cccc2n1)NCC3CCN(C3)Cc4ccccc4 27a_100000749532_100010209551 [1,0,0,0,1,0|1,0,0]=3 60 B28R4.4889407 Nc1nc2c(cccc2s1)SCC3CCN(CC3)Cc4ccccc4 62a_100000724365_200015183350 [1,0,0,0,1,0|1,1,0]=4 61 B28R4.4889407 Nc1nc2c(cccn2n1)SCC3CCN(CC3)Cc4ccccc4 62a_100012344205_200015183350 [1,0,0,0,1,0|1,1,0]=4 62 B28R4.4889407 Nc1nc2cccc(c2s1)SCC3CCN(CC3)Cc4ccccc4 62a_100010235960_200015183350 [1,0,0,0,1,0|1,1,0]=4 63 B28R4.4889407 Nc1nc2cccc(n2n1)SCC3CCN(CC3)Cc4ccccc4 62a_100010243777_200015183350 [1,0,0,0,1,0|1,1,0]=4 64 B28R4.34212015 Nc1ncnc2c1c(c[nH]2)SCC3CCN(CC3)Cc4ccccc4 62a_100010179808_200015183350 [1,0,0,0,1,0|1,1,0]=4 65 B28R4.34212015 Nc1ncnc2c1c(c[nH]2)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100010179808 [1,0,0,0,1,0|1,1,0]=4 66 B28R4.150708181 Nc1noc2c1c(ccc2)SCC3CCN(CC3)Cc4ccccc4 62a_100012361266_200015183350 [1,0,0,0,1,0|1,1,0]=4 67 B28R4.150708181 Nc1noc2c1c(ccc2)SCC3CCN(CC3)Cc4ccccc4 62a_200015183350_100012361266 [1,0,0,0,1,0|1,1,0]=4 68 B28R4.185068764 Nc1nccc2c1c(ccc2)SC3CCN(CC3)Cc4ccccc4 62a_100010291105_100011860369 [1,0,0,0,1,0|1,1,0]=4 69 B28R4.185068764 Nc1ncnc2c1c(ccc2)NC3CCN(CC3)Cc4ccccc4 27a_100000180093_100010171649 [1,0,0,0,1,0|1,0,0]=3 70 B28R4.185068764 Nc1ncnc2c1c(ccc2)NC3CCN(CC3)Cc4cccnc4 27a_100000755617_100010171649 [1,0,0,0,1,0|2,0,0]=4 71 B28R4.185068764 Nc1ncnc2c1c(ccc2)SC3CCN(CC3)Cc4ccccc4 62a_100010171649_100011860369 [1,0,0,0,1,0|0,1,0]=3 72 B28R4.185069089 Nc1ncnc2c1c(ccc2)NCC3CCN(C3)Cc4ccccc4 27a_100000749532_100010171649 [1,0,0,0,1,0|1,0,0]=3 73 B28R4.3717125 Nc1nc(c2c(cccc2n1)C3=CCN(CC3)Cc4ccccc4)N 271570a_100010197865_200011217714 [0,0,0,0,2,0|0,0,2]=4 74 B28R4.27066903 Nc1nc(c2c(cccc2n1)SC3CCN(C3)Cc4ccccc4)N 62a_200011217714_200011861550 [0,0,0,0,2,0|0,1,0]=3 75 B30R4.3233837 Nc1ncc2c(cccc2n1)NCCC3CCN(CC3)Cc4ccccc4 27a_100011216637_100010209551 [1,0,0,0,0,1|1,0,0]=3 76 B30R4.3233837 Nc1ncc2c(cccc2n1)NCCN3CCN(CC3)Cc4ccccc4 27a_100000181463_100010209551 [1,0,0,0,0,1|2,0,0]=4 77 B30R4.3234081 Nc1ncc2c(cccc2n1)NCC3CCN(CC3)CCc4ccccc4 27a_100000301415_100010209551 [1,0,0,0,0,1|1,0,0]=3 78 B30R4.221559831 Nc1ncnc2c1c(ccc2)NCCC3CCN(CC3)Cc4ccccc4 27a_100011216637_100010171649 [1,0,0,0,0,1|1,0,0]=3 79 B30R4.221559831 Nc1ncnc2c1c(ccc2)NCCN3CCN(CC3)Cc4ccccc4 27a_100000181463_100010171649 [1,0,0,0,0,1|2,0,0]=4 80 B30R4.221559970 Nc1ncnc2c1c(ccc2)NCC3CCN(CC3)CCc4ccccc4 27a_100000301415_100010171649 [1,0,0,0,0,1|1,0,0]=3 81 B30R4.43913774 Cc1nc(c2nc(ccc2n1)NCC3CCN(CC3)Cc4ccccc4)N 27a_100000744725_103550258228 [0,0,0,0,1,1|2,0,0]=4 82 B30R4.43913774 Cc1nc(c2nc(ccc2n1)SCC3CCN(CC3)Cc4ccccc4)N 62a_103550258228_200015183350 [0,0,0,0,1,1|1,1,0]=4 83 B30R4.31890881 Nc1nc(c2c(cccc2n1)SCC3CCCN(C3)Cc4ccccc4)N 62a_200011217714_100015183850 [0,0,0,0,1,1|0,1,0]=3 84 B30R4.31890881 Nc1nc(c2c(cccc2n1)SCC3CN(CCO3)Cc4ccccc4)N 62a_200011217714_100000185197 [0,0,0,0,1,1|0,1,0]=3