0 B18R3.4227 Cc1ccc2nsnc2c1Nc3ncns3 27a_100000013548_100000693119 [0,0,0,0,0,0|3,0,1]=4 1 B18R3.4227 Cc1ccc2nsnc2c1Nc3nncs3 27a_100000013548_100000739804 [0,0,0,0,0,0|3,0,1]=4 2 B18R3.4227 Clc1ccc2nsnc2c1Nc3ncns3 27a_100000216350_100000693119 [0,0,0,0,0,0|2,0,1]=3 3 B18R3.4227 Clc1ccc2nsnc2c1Nc3nncs3 27a_100000216350_100000739804 [0,0,0,0,0,0|2,0,1]=3 4 B17R3.1910 C(=C1CCCC1)c2cccc3c2nsn3 271570a_100010378317_100000742359 [1,0,0,0,0,0|3,0,0]=4 5 B17R3.1910 c1cc(c2nsnc2c1)NC3CCCC3 27a_100000211070_100000742359 [1,0,0,0,0,0|2,0,1]=4 6 B17R3.1910 c1cc(c2nsnc2c1)Nc3ncns3 27a_100000013547_100000693119 [1,0,0,0,0,0|2,0,1]=4 7 B17R3.1910 c1cc(c2nsnc2c1)Nc3nncs3 27a_100000013547_100000739804 [1,0,0,0,0,0|2,0,1]=4 8 B17R3.1910 c1cc(c2nsnc2c1)Sc3ncc[nH]3 62a_100025796157_100000742359 [1,0,0,0,0,0|1,0,2]=4 9 B19R3.328112 Cc1ccc2nsnc2c1Nc3ncnn3C 27a_100000013548_100000732653 [0,1,0,0,0,0|2,0,1]=4 10 B19R3.328112 Cn1ncnc1Nc2c(ccc3c2nsn3)Cl 27a_100000216350_100000732653 [0,1,0,0,0,0|1,0,1]=3 11 B19R3.2129797 Cc1nc(no1)Nc2c(ccc3c2nsn3)Cl 27a_100000216350_100012003639 [0,1,0,0,0,0|1,0,2]=4 12 B19R3.2129797 Cc1nnc(o1)Nc2c(ccc3c2nsn3)Cl 27a_100000216350_100000708914 [0,1,0,0,0,0|2,0,1]=4 13 B19R3.2129797 Cc1nnc(s1)Nc2c(ccc3c2nsn3)Cl 27a_100000216350_100000686958 [0,1,0,0,0,0|2,0,1]=4 14 B19R3.2129797 Cc1nsc(n1)Nc2c(ccc3c2nsn3)Cl 27a_100000216350_100000709739 [0,1,0,0,0,0|2,0,1]=4 15 B19R3.2129797 Nc1nnc(s1)Nc2c(ccc3c2nsn3)Cl 27a_100000216350_100000738278 [0,1,0,0,0,0|2,0,1]=4 16 B17R2.75163 CC=CC(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100000210699 [0,0,1,0,0,0|2,0,1]=4 17 B17R2.75163 CC=CC(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100000210699 [0,0,1,0,0,0|2,0,1]=4 18 B17R2.75163 CCCC(=O)Nc1c(ccc2c1nsn2)C 11a_100000013548_100000211992 [0,0,1,0,0,0|3,0,0]=4 19 B17R2.75163 CCCC(=O)Nc1c(ccc2c1nsn2)C 1626a_100000013548_100000211992 [0,0,1,0,0,0|3,0,0]=4 20 B17R2.75163 CCCC(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100000211992 [0,0,1,0,0,0|2,0,0]=3 21 B17R2.75163 CCCC(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100000211992 [0,0,1,0,0,0|2,0,0]=3 22 B17R2.75163 CCNC(=O)Nc1c(ccc2c1nsn2)C 2430a_100000013548_100015525214 [0,0,1,0,0,0|2,0,0]=3 23 B17R2.75163 CCNC(=O)Nc1c(ccc2c1nsn2)C 512a_100000013548_100015525214 [0,0,1,0,0,0|2,0,0]=3 24 B17R2.75163 CCNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100015525214 [0,0,1,0,0,0|1,0,0]=2 25 B17R2.75163 CNNC(=O)Nc1c(ccc2c1nsn2)C 512a_100000013548_100016993582 [0,0,1,0,0,0|3,0,0]=4 26 B17R2.75163 CNNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100016993582 [0,0,1,0,0,0|2,0,0]=3 27 B17R2.75163 COCC(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100000210968 [0,0,1,0,0,0|3,0,0]=4 28 B17R2.75163 COCC(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100000210968 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.75163 CSCC(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100000184570 [0,0,1,0,0,0|3,0,0]=4 30 B17R2.75163 CSCC(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100000184570 [0,0,1,0,0,0|3,0,0]=4 31 B19R3.4026 Clc1ccc2nsnc2c1Nc3cccnn3 27a_100000216350_100016991348 [0,0,0,0,0,1|1,0,2]=4 32 B19R3.4026 Clc1ccc2nsnc2c1Nc3ccncn3 27a_100000216350_100000703185 [0,0,0,0,0,1|1,0,2]=4 33 B19R3.4026 Clc1ccc2nsnc2c1Nc3cnccn3 27a_100000216350_100000211759 [0,0,0,0,0,1|0,0,3]=4 34 B19R3.4026 Clc1ccc2nsnc2c1Nc3ncccn3 27a_100000216350_100000211032 [0,0,0,0,0,1|0,0,3]=4 35 B19R3.5843 Cc1ccc2nsnc2c1NCc3ncc[nH]3 207a_100000013548_100000743867 [0,0,0,0,0,1|1,0,2]=4 36 B19R3.5843 Clc1ccc2c(c1NCC3=NCCN3)OCO2 34a_100000087791_100000737910 [0,0,0,0,0,1|3,0,0]=4 37 B19R3.5843 Clc1ccc2nsnc2c1NCc3cc[nH]n3 207a_100000216350_100000738523 [0,0,0,0,0,1|2,0,1]=4 38 B19R3.5843 Clc1ccc2nsnc2c1NCc3cnc[nH]3 207a_100000216350_100000742939 [0,0,0,0,0,1|2,0,1]=4 39 B19R3.5843 Clc1ccc2nsnc2c1NCc3cscn3 207a_100000216350_100000743575 [0,0,0,0,0,1|2,0,1]=4 40 B19R3.5843 Clc1ccc2nsnc2c1NCc3ncc[nH]3 207a_100000216350_100000743867 [0,0,0,0,0,1|0,0,2]=3 41 B19R3.5843 Clc1ccc2nsnc2c1NCc3nccs3 207a_100000216350_100000750902 [0,0,0,0,0,1|1,0,2]=4 42 B16R2.29551 CCCC(=O)Nc1cccc2c1nsn2 11a_100000013547_100000211992 [1,0,1,0,0,0|2,0,0]=4 43 B16R2.29551 CCCC(=O)Nc1cccc2c1nsn2 1626a_100000013547_100000211992 [1,0,1,0,0,0|2,0,0]=4 44 B16R2.29551 CCCC(=O)Nc1cccc2c1nsn2 22a_100000013547_100000211992 [1,0,1,0,0,0|2,0,0]=4 45 B16R2.29551 CCCC(=O)Nc1cccc2c1nsn2 527a_100000013547_100000211992 [1,0,1,0,0,0|2,0,0]=4 46 B16R2.29551 CCNC(=O)Nc1cccc2c1non2 2430a_100000028140_100015525214 [1,0,1,0,0,0|1,1,0]=4 47 B16R2.29551 CCNC(=O)Nc1cccc2c1non2 512a_100000028140_100015525214 [1,0,1,0,0,0|1,1,0]=4 48 B16R2.29551 CCNC(=O)Nc1cccc2c1nsn2 2430a_100000013547_100015525214 [1,0,1,0,0,0|1,0,0]=3 49 B16R2.29551 CCNC(=O)Nc1cccc2c1nsn2 512a_100000013547_100015525214 [1,0,1,0,0,0|1,0,0]=3 50 B16R2.29551 CNNC(=O)Nc1cccc2c1nsn2 512a_100000013547_100016993582 [1,0,1,0,0,0|2,0,0]=4 51 B16R2.169905 CCC(=O)Nc1c(ccc2c1nsn2)C 11a_100000013548_100000210414 [1,0,1,0,0,0|2,0,0]=4 52 B16R2.169905 CCC(=O)Nc1c(ccc2c1nsn2)C 1626a_100000013548_100000210414 [1,0,1,0,0,0|2,0,0]=4 53 B16R2.169905 CCC(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100000210414 [1,0,1,0,0,0|1,0,0]=3 54 B16R2.169905 CCC(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100000210414 [1,0,1,0,0,0|1,0,0]=3 55 B16R2.169905 CNC(=O)Nc1c(ccc2c1nsn2)C 2430a_100000013548_100102657272 [1,0,1,0,0,0|2,0,0]=4 56 B16R2.169905 CNC(=O)Nc1c(ccc2c1nsn2)C 512a_100000013548_100102657272 [1,0,1,0,0,0|2,0,0]=4 57 B16R2.169905 CNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100102657272 [1,0,1,0,0,0|1,0,0]=3 58 B18R2.882448 C#CCNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100000212058 [0,1,1,0,0,0|1,0,1]=4 59 B18R2.882448 C=CCNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100020586998 [0,1,1,0,0,0|1,0,1]=4 60 B18R2.882448 CCCCC(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100000210183 [0,1,1,0,0,0|2,0,0]=4 61 B18R2.882448 CCCCC(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100000210183 [0,1,1,0,0,0|2,0,0]=4 62 B18R2.882448 CCCNC(=O)Nc1c(ccc2c1nsn2)C 2430a_100000013548_100020643023 [0,1,1,0,0,0|2,0,0]=4 63 B18R2.882448 CCCNC(=O)Nc1c(ccc2c1nsn2)C 512a_100000013548_100020643023 [0,1,1,0,0,0|2,0,0]=4 64 B18R2.882448 CCCNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100020643023 [0,1,1,0,0,0|1,0,0]=3 65 B18R2.882448 CCNNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100000756455 [0,1,1,0,0,0|2,0,0]=4 66 B18R2.882448 Cc1ccc2nsnc2c1NC(=O)NCCF 2430a_100000013548_100000724931 [0,1,1,0,0,0|2,0,0]=4 67 B18R2.882448 Cc1ccc2nsnc2c1NC(=O)NCCF 512a_100000013548_100000724931 [0,1,1,0,0,0|2,0,0]=4 68 B18R2.882448 Cc1ccc2nsnc2c1NC(=O)NCCO 2430a_100000013548_100000210304 [0,1,1,0,0,0|2,0,0]=4 69 B18R2.882448 Cc1ccc2nsnc2c1NC(=O)NCCO 512a_100000013548_100000210304 [0,1,1,0,0,0|2,0,0]=4 70 B18R2.882448 N#CCNC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100000734998 [0,1,1,0,0,0|0,0,2]=4 71 B18R2.882448 O=C(NCCF)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100000724931 [0,1,1,0,0,0|1,0,0]=3 72 B18R2.882448 O=C(NCCO)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100000210304 [0,1,1,0,0,0|1,0,0]=3 73 B18R2.40800 CC(C)CC(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100000210554 [0,1,1,0,0,0|2,0,0]=4 74 B18R2.40800 CC(C)CC(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100000210554 [0,1,1,0,0,0|2,0,0]=4 75 B18R2.40800 CC(C)NC(=O)Nc1c(ccc2c1nsn2)Cl 512a_100000216350_100138425928 [0,1,1,0,0,0|1,0,0]=3 76 B18R2.40800 Cc1ccc2nsnc2c1NC(=O)NC(C)C 2430a_100000013548_100138425928 [0,1,1,0,0,0|2,0,0]=4 77 B18R2.40800 Cc1ccc2nsnc2c1NC(=O)NC(C)C 512a_100000013548_100138425928 [0,1,1,0,0,0|2,0,0]=4 78 B18R2.896264 CCNC(=O)Nc1c(cc(c2c1non2)Cl)Cl 512a_100000022387_100015525214 [0,1,1,0,0,0|1,1,0]=4 79 B18R2.903956 CCC(C)C(=O)Nc1c(ccc2c1nsn2)Cl 11a_100000216350_100011192722 [0,1,1,0,0,0|2,0,0]=4 80 B18R2.903956 CCC(C)C(=O)Nc1c(ccc2c1nsn2)Cl 1626a_100000216350_100011192722 [0,1,1,0,0,0|2,0,0]=4 81 B18R2.903956 CCN(C)C(=O)Nc1c(ccc2c1nsn2)C 2430a_100000013548_100000225621 [0,1,1,0,0,0|2,0,0]=4 82 B18R3.3808 Cn1ncnc1Nc2cccc3c2nsn3 27a_100000013547_100000732653 [1,1,0,0,0,0|1,0,1]=4 83 B20R3.93283 O=C(Nc1c(ccc2c1nsn2)Cl)C3=CCCC3 11a_100000216350_100000038896 [0,1,0,0,0,1|2,0,0]=4 84 B20R3.93283 O=C(Nc1c(ccc2c1nsn2)Cl)C3=CCCC3 1626a_100000216350_100000038896 [0,1,0,0,0,1|2,0,0]=4 85 B20R3.2742733 Cc1c[nH]c(n1)CNc2c(ccc3c2nsn3)Cl 207a_100000216350_100000082322 [0,1,0,0,0,1|0,0,2]=4 86 B20R3.2907987 Cn1ccnc1CNc2c(ccc3c2nsn3)Cl 207a_100000216350_100000748660 [0,1,0,0,0,1|0,0,2]=4 87 B20R3.1031220 CCn1ncnc1Nc2c(ccc3c2nsn3)Cl 27a_100000216350_100009879425 [0,2,0,0,0,0|1,0,1]=4 88 B20R3.2150902 N#Cc1n[nH]c(n1)Nc2c(ccc3c2nsn3)Cl 27a_100000216350_200010752602 [0,2,0,0,0,0|1,0,1]=4 89 B18R3.406255 O=C(Nc1c(ccc2c1nsn2)Cl)C3CC3 11a_100000216350_100000210395 [0,0,1,1,0,0|2,0,0]=4 90 B18R3.406255 O=C(Nc1c(ccc2c1nsn2)Cl)C3CC3 1626a_100000216350_100000210395 [0,0,1,1,0,0|2,0,0]=4 91 B16R3.2208 c1cc(c2nsnc2c1)NC3CCC3 27a_100000749019_100000742359 [1,0,0,0,1,0|1,0,1]=4 92 B16R3.5924 C1=C(CCC1)c2cccc3c2nsn3 271570a_100000089523_100000742359 [1,0,0,0,1,0|2,0,0]=4 93 B16R3.5924 c1cc(c2nsnc2c1)c3ncc[nH]3 271570a_100010393532_100025796157 [1,0,0,0,1,0|0,0,2]=4 94 B16R3.5924 c1cc(c2nsnc2c1)c3ncc[nH]3 271570a_100016988920_100000742359 [1,0,0,0,1,0|0,0,2]=4 95 B18R3.12721 c1cc(c2ncoc2c1)NCC3=NCCN3 34a_100000717946_100000737910 [1,0,0,0,0,1|2,0,0]=4 96 B18R3.12721 c1cc(c2nonc2c1)SCC3=NCCN3 62a_100000737910_100009820244 [1,0,0,0,0,1|1,1,0]=4 97 B18R3.12721 c1cc(c2nonc2c1)SCC3=NCCN3 62a_100009820244_100000737910 [1,0,0,0,0,1|1,1,0]=4 98 B18R3.12721 c1cc(c2nsnc2c1)NCc3ncc[nH]3 207a_100000013547_100000743867 [1,0,0,0,0,1|0,0,2]=4 99 B18R3.12721 c1cc(c2nsnc2c1)NCc3ncc[nH]3 27a_100000754540_100000742359 [1,0,0,0,0,1|0,0,2]=4 100 B18R3.12721 c1cc(c2nsnc2c1)NCc3nnc[nH]3 27a_200015183720_100000742359 [1,0,0,0,0,1|1,0,1]=4 101 B18R3.12721 c1cc(c2nsnc2c1)NCc3nnn[nH]3 27a_100000739814_100000742359 [1,0,0,0,0,1|2,0,0]=4 102 B18R3.12721 c1cc(c2nsnc2c1)SCC3=NCCN3 62a_100000737910_100000742359 [1,0,0,0,0,1|1,0,0]=3 103 B18R3.12721 c1cc(c2scnc2c1)NCC3=NCCN3 34a_100000099145_100000737910 [1,0,0,0,0,1|2,0,0]=4