0 B20R2.8295545 CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000070787_200000395870 [0,0,0,0,0,0|1,0,0]=1 1 B20R2.8295545 CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100102631434_200000395870 [0,0,0,0,0,0|3,0,0]=3 2 B20R2.8295545 CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100102631434_200000395870 [0,0,0,0,0,0|3,0,0]=3 3 B19R2.238081 CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_106832991635_200000395870 [1,0,0,0,0,0|2,0,0]=3 4 B19R2.238081 CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100102657272_200000395870 [1,0,0,0,0,0|2,0,0]=3 5 B19R2.238081 CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_106832991635_200000395870 [1,0,0,0,0,0|2,0,0]=3 6 B19R2.238081 COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100138415774_200000395870 [1,0,0,0,0,0|2,0,0]=3 7 B19R2.238081 CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_200000210301_200000395870 [1,0,0,0,0,0|2,0,0]=3 8 B19R2.238081 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCS[13CH3] 62a_200025704644_200000395870 [1,0,0,0,0,0|2,0,0]=3 9 B21R2.1129572 C#CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000211873_200000395870 [0,1,0,0,0,0|1,0,0]=2 10 B21R2.1129572 C=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000185746_200000395870 [0,1,0,0,0,0|1,0,0]=2 11 B21R2.1129572 CCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210414_200000395870 [0,1,0,0,0,0|1,0,0]=2 12 B21R2.1129572 CCN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000225621_200000395870 [0,1,0,0,0,0|3,0,0]=4 13 B21R2.1129572 CCN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100000225621_200000395870 [0,1,0,0,0,0|3,0,0]=4 14 B21R2.1129572 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)CO 1458a_100000210174_200000395870 [0,1,0,0,0,0|0,0,0]=1 15 B21R2.14189985 CC(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100138425928_200000395870 [0,0,0,0,0,1|2,0,1]=4 16 B21R2.14189985 CC(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100138425928_200000395870 [0,0,0,0,0,1|2,0,1]=4 17 B21R2.14189985 CC(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000212225_200000395870 [0,0,0,0,0,1|2,0,1]=4 18 B21R2.14189985 CC(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210206_200000395870 [0,0,0,0,0,1|2,0,1]=4 19 B20R2.2671397 CCNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100015525214_200000395870 [1,1,0,0,0,0|1,0,1]=4 20 B20R2.2671397 CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100121572206_200000395870 [1,1,0,0,0,0|1,0,1]=4 21 B20R2.2671397 CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210202_200000395870 [1,1,0,0,0,0|1,0,1]=4 22 B20R2.2671397 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCF 62a_100015361967_200000395870 [1,1,0,0,0,0|1,0,1]=4 23 B22R2.8355619 CC(CO)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100012180447_200000395870 [0,1,0,0,0,1|1,0,1]=4 24 B22R2.8355619 COC(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100009879195_200000395870 [0,1,0,0,0,1|1,0,1]=4 25 B22R2.8355619 C[C@H](CO)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000737577_200000395870 [0,1,0,0,0,1|1,0,1]=4 26 B22R2.8355619 C[C@H](CO)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100016084084_200000395870 [0,1,0,0,0,1|1,0,1]=4 27 B22R2.23904731 C=C(C)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000185857_200000395870 [0,1,0,0,0,1|2,0,0]=4 28 B22R2.23904731 C[C@@H](O)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000717761_200000395870 [0,1,0,0,0,1|1,0,1]=4 29 B22R2.23904731 C[C@H](O)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_217856618621_200000395870 [0,1,0,0,0,1|1,0,1]=4 30 B22R2.23904731 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)C(O)O 1458a_100000233687_200000395870 [0,1,0,0,0,1|0,0,2]=4 31 B22R2.37851616 C#CCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100011220946_200000395870 [0,2,0,0,0,0|1,0,0]=3 32 B22R2.37851616 C=CCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210193_200000395870 [0,2,0,0,0,0|1,0,0]=3 33 B22R2.37851616 CC#CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000763181_200000395870 [0,2,0,0,0,0|1,0,0]=3 34 B22R2.37851616 CC=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210699_200000395870 [0,2,0,0,0,0|1,0,0]=3 35 B22R2.37851616 CCCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000211992_200000395870 [0,2,0,0,0,0|1,0,0]=3 36 B22R2.37851616 CN(CCO)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000210263_200000395870 [0,2,0,0,0,0|2,0,0]=4 37 B22R2.37851616 CN(CCO)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100000210263_200000395870 [0,2,0,0,0,0|2,0,0]=4 38 B22R2.37851616 COCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210968_200000395870 [0,2,0,0,0,0|0,0,0]=2 39 B22R2.37851616 CSCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000184570_200000395870 [0,2,0,0,0,0|0,1,0]=3 40 B22R2.37851616 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)C=CBr 1458a_100016273825_200000395870 [0,2,0,0,0,0|1,0,0]=3 41 B22R2.37851616 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)C=CCl 1458a_200016279998_200000395870 [0,2,0,0,0,0|1,0,0]=3 42 B22R2.37851616 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)C=CI 1458a_100016256311_200000395870 [0,2,0,0,0,0|1,0,0]=3 43 B22R2.37851616 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)CC#N 1458a_100051588842_200000395870 [0,2,0,0,0,0|1,0,0]=3 44 B22R2.37851616 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)CCO 1458a_100011216618_200000395870 [0,2,0,0,0,0|0,0,0]=2 45 B22R2.23904716 C=C(C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210245_200000395870 [0,0,0,0,0,2|2,0,0]=4 46 B22R2.23904716 C=C(C)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000748629_200000395870 [0,0,0,0,0,2|2,0,0]=4 47 B22R2.23904716 C=C(F)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_200010262243_200000395870 [0,0,0,0,0,2|2,0,0]=4 48 B22R2.23904716 C=C(F)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000042424_200000395870 [0,0,0,0,0,2|2,0,0]=4 49 B22R2.23904716 CC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000211253_200000395870 [0,0,0,0,0,2|1,0,0]=3 50 B22R2.23904716 CC(O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000210904_200000395870 [0,0,0,0,0,2|1,0,1]=4 51 B22R2.23904716 CC(O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210904_200000395870 [0,0,0,0,0,2|1,0,1]=4 52 B22R2.23904716 CC(O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100011218427_200000395870 [0,0,0,0,0,2|1,0,1]=4 53 B22R2.23904716 C[C@@H](O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100009817552_200000395870 [0,0,0,0,0,2|1,0,1]=4 54 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(=O)N 2230a_100000711301_200000395870 [0,0,0,0,0,2|1,0,0]=3 55 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(=O)O 269956a_100016091260_200000395870 [0,0,0,0,0,2|0,0,0]=2 56 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(=O)N 62a_100000747473_200000395870 [0,0,0,0,0,2|1,0,0]=3 57 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(=O)[O-] 62a_100020667443_200000395870 [0,0,0,0,0,2|0,0,1]=3 58 B21R2.2598734 C=CCNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100020586998_200000395870 [1,2,0,0,0,0|1,0,0]=4 59 B21R2.2598734 C=CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_200000210373_200000395870 [1,2,0,0,0,0|1,0,0]=4 60 B21R2.2598734 C=CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210623_200000395870 [1,2,0,0,0,0|1,0,0]=4 61 B21R2.2598734 COCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000766300_200000395870 [1,2,0,0,0,0|0,0,1]=4 62 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCCO 2230a_100016997473_200000395870 [1,2,0,0,0,0|0,0,1]=4 63 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCCO 34a_100016990907_200000395870 [1,2,0,0,0,0|0,0,1]=4 64 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC=O 62a_200015260668_200000395870 [1,2,0,0,0,0|0,0,0]=3 65 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCCO 62a_100000211926_200000395870 [1,2,0,0,0,0|0,0,1]=4 66 B23R2.12044479 CCC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000725409_200000395870 [0,1,0,0,0,2|1,0,0]=4 67 B23R2.12044479 CCC(=O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000747405_200000395870 [0,1,0,0,0,2|1,0,0]=4 68 B23R2.12044479 CNC(=O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000693194_200000395870 [0,1,0,0,0,2|1,0,0]=4 69 B23R2.12044479 CNC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000750040_200000395870 [0,1,0,0,0,2|1,0,0]=4 70 B23R2.12044479 CNC(=O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000183359_200000395870 [0,1,0,0,0,2|1,0,0]=4 71 B23R2.12044479 COC(=O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000747449_200000395870 [0,1,0,0,0,2|0,0,0]=3 72 B23R2.39379670 CC(=O)C(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000212229_200000395870 [0,1,0,0,0,2|1,0,0]=4 73 B23R2.39379670 CC(=O)C(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100009814033_200000395870 [0,1,0,0,0,2|1,0,0]=4 74 B23R2.39379670 CC(SCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 62a_100000702099_200000395870 [0,1,0,0,0,2|1,0,0]=4 75 B23R2.39379670 C[C@@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 2230a_100000119354_200000395870 [0,1,0,0,0,2|1,0,0]=4 76 B23R2.39379670 C[C@@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 34a_100000119354_200000395870 [0,1,0,0,0,2|1,0,0]=4 77 B23R2.39379670 C[C@@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 34a_100000731257_200000395870 [0,1,0,0,0,2|1,0,0]=4 78 B23R2.39379670 C[C@@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 7a_100000731257_200000395870 [0,1,0,0,0,2|1,0,0]=4 79 B23R2.39379670 C[C@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)O 269956a_100000743915_200000395870 [0,1,0,0,0,2|0,0,0]=3 80 B23R2.39379670 C[C@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)[O-] 7a_217856618621_200000395870 [0,1,0,0,0,2|0,0,1]=4 81 B23R2.39379670 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC(F)C(=O)N 62a_100009813875_200000395870 [0,1,0,0,0,2|1,0,0]=4 82 B23R2.39379670 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC(F)C(=O)[O-] 62a_100020610796_200000395870 [0,1,0,0,0,2|0,0,1]=4 83 B23R2.39379681 CN(CCCn1c(=O)c2c(ncn2C)n(c1=O)C)CC(=O)N 2230a_100000739694_200000395870 [0,1,0,0,0,2|1,0,0]=4 84 B23R2.39379681 CN(CCCn1c(=O)c2c(ncn2C)n(c1=O)C)CC(=O)O 269956a_100000746989_200000395870 [0,1,0,0,0,2|0,0,0]=3 85 B23R2.39379681 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)CC(=O)N 1458a_100134613110_200000395870 [0,1,0,0,0,2|1,0,0]=4 86 B23R2.81785715 CNC(=O)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100011218921_200000395870 [0,2,0,0,0,1|1,0,0]=4 87 B23R2.33707927 C#CCCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000692101_200000395870 [0,3,0,0,0,0|1,0,0]=4 88 B23R2.33707927 C=CC=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100016291481_200000395870 [0,3,0,0,0,0|1,0,0]=4 89 B23R2.33707927 C=CCCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000749702_200000395870 [0,3,0,0,0,0|1,0,0]=4 90 B23R2.33707927 CC=CCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100121576822_200000395870 [0,3,0,0,0,0|1,0,0]=4 91 B23R2.33707927 CCC#CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100011827653_200000395870 [0,3,0,0,0,0|1,0,0]=4 92 B23R2.33707927 CCC=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000212282_200000395870 [0,3,0,0,0,0|1,0,0]=4 93 B23R2.33707927 CCCCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210183_200000395870 [0,3,0,0,0,0|1,0,0]=4 94 B23R2.33707927 CCOCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000211967_200000395870 [0,3,0,0,0,0|0,0,0]=3 95 B23R2.33707927 CCSCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000230394_200000395870 [0,3,0,0,0,0|0,1,0]=4 96 B23R2.33707927 COC=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100016268678_200000395870 [0,3,0,0,0,0|0,0,0]=3 97 B23R2.33707927 COCCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000749529_200000395870 [0,3,0,0,0,0|0,0,0]=3 98 B23R2.33707927 CSCCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000174002_200000395870 [0,3,0,0,0,0|0,1,0]=4 99 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)C#CCO 1458a_100000049017_200000395870 [0,3,0,0,0,0|0,0,0]=3 100 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)CCC#N 1458a_100011934036_200000395870 [0,3,0,0,0,0|1,0,0]=4 101 B23R2.39379684 CC(=O)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000759926_200000395870 [0,0,0,0,0,3|1,0,0]=4 102 B23R2.39379684 CC(=O)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100000759926_200000395870 [0,0,0,0,0,3|1,0,0]=4 103 B23R2.39379684 CC(=O)CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000053229_200000395870 [0,0,0,0,0,3|1,0,0]=4 104 B23R2.39379684 CC(=O)OCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000076356_200000395870 [0,0,0,0,0,3|1,0,0]=4 105 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNOCC(=O)O 269956a_100000106656_200000395870 [0,0,0,0,0,3|0,0,0]=3 106 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCCC(=O)N 34a_100000757172_200000395870 [0,0,0,0,0,3|1,0,0]=4 107 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCCC(=O)N 7a_100000757172_200000395870 [0,0,0,0,0,3|1,0,0]=4 108 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCCC(=O)N 62a_100000744528_200000395870 [0,0,0,0,0,3|1,0,0]=4