0 B22R3.380577 Nc1nc(c2c(cccc2n1)NCC3CC=CCC3)N 6a43da22ee84c6d1d4fead3edf60a33f [0,0,0,0,0,0|3,0,1]=4 1 B22R3.380577 Nc1nc(c2c(cccc2n1)NCC3CCCCO3)N 555ccac9ba7205019a0fe9f436e4a1c9 [0,0,0,0,0,0|4,0,0]=4 2 B21R3.8413 Cc1cc2cccc(c2cn1)COC3CCCCC3 d775e4f18a799c7b9bfbf730c9385125 [1,0,0,0,0,0|3,0,0]=4 3 B21R3.8413 Cc1cc2cccc(c2cn1)COC3CCOCC3 201491709f6f582ab323d656384f61e4 [1,0,0,0,0,0|2,0,0]=3 4 B21R3.8413 Cc1cc2cccc(c2cn1)COC3CCSCC3 2dd430a52f5ef099a4b5cfe2664b83d6 [1,0,0,0,0,0|2,1,0]=4 5 B21R3.6679883 Brc1cccc2c1c(ccc2)COC3CCOCC3 a6150a0d74d8bb3626450a8c31a33b86 [1,0,0,0,0,0|3,0,0]=4 6 B21R3.6679883 Cc1cccc2c1c(ccc2)COC3CCOCC3 e23d9ab397bd8b72cc7be6f27f684a16 [1,0,0,0,0,0|3,0,0]=4 7 B23R3.345848 CN(CC1CCCCC1)c2cccc3c2c(nc(n3)N)N d13dd6af77114686794fcd51be85584f [0,1,0,0,0,0|3,0,0]=4 8 B23R3.345848 CN(CC1CCOCC1)c2cccc3c2c(nc(n3)N)N 82f24bde55092c5e8e64771d6a6ae5e2 [0,1,0,0,0,0|2,0,0]=3 9 B23R3.17233761 CC1CCCCC1CNc2cccc3c2c(nc(n3)N)N 404ee6fed5efea89c216ae5ceef9c8e3 [0,1,0,0,0,0|3,0,0]=4 10 B23R3.24622273 CC1CCC(CC1)CNc2cccc3c2c(nc(n3)N)N 8dd79cc47b3cab7c1165720ef21afa53 [0,1,0,0,0,0|3,0,0]=4 11 B23R3.24622273 Nc1nc(c2c(cccc2n1)NCC3CCC(CC3)Cl)N 78c4b75dbd938439b10070047ab2e6e6 [0,1,0,0,0,0|3,0,0]=4 12 B23R3.24622273 Nc1nc(c2c(cccc2n1)NCC3CCC(CC3)O)N 2f767b4e067c39acae8d4fb329fe0d7e [0,1,0,0,0,0|3,0,0]=4 13 B23R3.24622273 Nc1nc(c2c(cccc2n1)NC[C@H]3CC[C@@H](CC3)O)N 9ac49a713ca3bf257cfe26d6181597ba [0,1,0,0,0,0|3,0,0]=4 14 B23R3.73179940 Nc1nc(c2c(cccc2n1)NCC3CCCC(C3)O)N eb10ca99007746d047789e17bea7f53d [0,1,0,0,0,0|3,0,0]=4 15 B23R3.73179940 Nc1nc(c2c(cccc2n1)NC[C@H]3CCC[C@H](C3)O)N 7bee56395c5c861cbbb5821b22b01faf [0,1,0,0,0,0|3,0,0]=4 16 B23R3.94567380 Nc1nc(c2c(cccc2n1)NCC3(CCOCC3)F)N 17916f872a805a4f4a4e1485fe5fc377 [0,1,0,0,0,0|2,0,0]=3 17 B21R3.4952301 Nc1nc(c2c(cccc2n1)NCC3CCCO3)N 3c249d6d6c800cd81aa2c06c71adc682 [0,0,0,0,1,0|3,0,0]=4 18 B21R3.4952301 Nc1nc(c2c(cccc2n1)NC[C@@H]3CCCO3)N 94c2831af8a04283b7e6c04c98eebe0b [0,0,0,0,1,0|3,0,0]=4 19 B21R3.4952301 Nc1nc(c2c(cccc2n1)NC[C@H]3CCCO3)N ffbdf3e1f3d7fdd68f79beca82462f2b [0,0,0,0,1,0|3,0,0]=4 20 B20R2.179091 CCOCCCOCc1cccc2c1cnc(c2)C b207ee5fe58e37093918e66650ceed84 [1,0,1,0,0,0|2,0,0]=4 21 B20R2.5481804 CCOCCCNc1cccc2c1c(nc(n2)N)N f1ae2ec8be6a801b2881b044b8d2da1a [1,0,1,0,0,0|1,0,0]=3 22 B20R3.2720 c1cc(c2cccnc2c1)CNC3CCOCC3 dc17c4a0ebf5e64a4b92431de19ce222 [2,0,0,0,0,0|2,0,0]=4 23 B20R3.2720 c1cc(c2cccnc2c1)COC3CCCCC3 ee69cac9a42c1d6d94e9c18b85851d26 [2,0,0,0,0,0|2,0,0]=4 24 B20R3.2720 c1cc(c2cccnc2c1)COC3CCOCC3 5a9475f7d5f73d62a634e3d38e7e6a79 [2,0,0,0,0,0|1,0,0]=3 25 B20R3.2720 c1cc(c2cccnc2c1)COC3CCSCC3 8590cd1f06f0c58a71a79fe87144a7b7 [2,0,0,0,0,0|1,1,0]=4 26 B20R3.2720 c1cc(c2cnccc2c1)CNC3CCOCC3 e125d62be4ee85b8c20fc1c2ab928817 [2,0,0,0,0,0|2,0,0]=4 27 B20R3.2720 c1cc(c2cnccc2c1)COC3CCCCC3 eab12900cee4e444c2f1272856134394 [2,0,0,0,0,0|2,0,0]=4 28 B20R3.2720 c1cc(c2cnccc2c1)COC3CCOCC3 8f150e127a7947205693014fec5d1a73 [2,0,0,0,0,0|1,0,0]=3 29 B20R3.2720 c1cc(c2cnccc2c1)COC3CCSCC3 96ac1b533460f18f791721ab004480a5 [2,0,0,0,0,0|1,1,0]=4 30 B20R3.2720 c1cc(c2cncnc2c1)NCC3CCOCC3 cb9361a0316d80cbd0ad4d295fc2d781 [2,0,0,0,0,0|2,0,0]=4 31 B20R3.2720 c1cc(c2nccnc2c1)COC3CCOCC3 30278c413561009136b3f8479fdd192e [2,0,0,0,0,0|2,0,0]=4 32 B20R3.2720 c1ccc2c(cccc2c1)COC3CCOCC3 bcdd86592feb2eab7cdeb762e0c6631c [2,0,0,0,0,0|2,0,0]=4 33 B22R2.47179766 CCOCCOCCNc1cccc2c1c(nc(n2)N)N c964ef4f19658ffe6a7aa3c98afa6196 [0,1,1,0,0,0|2,0,0]=4 34 B22R3.7285033 CN(CC1CCCC1)c2cccc3c2c(nc(n3)N)N 24b21b5f64099c20123f74c4a917d34d [0,1,0,0,1,0|2,0,0]=4 35 B22R3.7285033 CN(CC1CCOC1)c2cccc3c2c(nc(n3)N)N e4de21f3ca538b91beebd3b7b1c7cc4d [0,1,0,0,1,0|2,0,0]=4 36 B22R3.10619059 Nc1nc(c2c(cccc2n1)NC[C@@H]3COC[C@@H]3O)N ffe8f1119339d1deb4ca195aa94836b7 [0,1,0,0,1,0|2,0,0]=4 37 B22R3.40912091 Nc1nc(c2c(cccc2n1)NCC3CCC(C3)O)N f128ed491debc91a6513d629fb1e47ef [0,1,0,0,1,0|2,0,0]=4 38 B22R3.53624905 Nc1nc(c2c(cccc2n1)NCC3(CCCC3)F)N 4da9184e2deeb97dd67dd9a524745856 [0,1,0,0,1,0|2,0,0]=4 39 B24R3.2709135 Nc1nc(c2c(cccc2n1)NCC(O)C3CCCCC3)N 20f68c34d12e46dad22fdaa77acaf1c9 [0,1,0,0,0,1|2,0,0]=4 40 B24R3.2709138 CC(CC1CCCCC1)Nc2cccc3c2c(nc(n3)N)N ab6d42aa47bd03e100f7f9ec10d5c0b3 [0,1,0,0,0,1|2,0,0]=4 41 B24R3.2709139 CN(CCC1CCCCC1)c2cccc3c2c(nc(n3)N)N 1887d6a3e256c1adf184ca8554c7a0b2 [0,1,0,0,0,1|2,0,0]=4 42 B24R3.2709139 CN(CCN1CCOCC1)c2cccc3c2c(nc(n3)N)N 221b4a2d3aaeded405078e225c96071c [0,1,0,0,0,1|2,0,0]=4 43 B24R3.152691357 Nc1nc(c2c(cccc2n1)NCCC3(CCCCC3)O)N 66c7ba2e994831945d3bb8181c6707e1 [0,1,0,0,0,1|2,0,0]=4 44 B24R3.420451411 CCC(Nc1cccc2c1c(nc(n2)N)N)C3CCOCC3 5e0dd13dbfe2da8bd62a6bb3b36e5d36 [0,2,0,0,0,0|2,0,0]=4 45 B24R3.420451411 Nc1nc(c2c(cccc2n1)NC(CO)C3CCOCC3)N bab9501f64915483ac88f47808bb06f8 [0,2,0,0,0,0|2,0,0]=4 46 B22R3.17915 Fc1nc[nH]c1c2cccc(c2)COC3CCOCC3 b3061607f3a4a57e54c339b9dc32126e [0,0,1,1,0,0|2,0,0]=4 47 B22R3.17915 Nc1ncsc1c2cccc(c2)COC3CCOCC3 5ba001c75ddbffe23d27d190bb9191a0 [0,0,1,1,0,0|2,0,0]=4 48 B22R3.74199 c1cc(cc(c1)Nc2nc[nH]n2)COC3CCOCC3 b3870101c2ab0f0884620fd225f1d2d8 [0,0,1,1,0,0|0,0,2]=4 49 B22R3.717055 Nc1nc(c2ccc(cc2n1)NCC3CCOCC3)N 674c8f10748deb12e544ed36c71c214d [0,0,1,1,0,0|2,0,0]=4 50 B22R3.32355 Nc1ncc(c(n1)N)c2cccc(c2)C3CCOCC3 e85200808bea3301c86fedb91ee8c125 [0,0,1,1,0,0|1,0,1]=4 51 B22R3.10733 Cc1c[nH]c(n1)c2ccccc2COC3CCOCC3 1b99699ec97b392f36365bec48ab8519 [0,0,1,1,0,0|2,0,0]=4 52 B22R3.10733 Cc1nc(c[nH]1)c2ccccc2COC3CCOCC3 088971ff8c15ffc3f75f29be1dbac2e1 [0,0,1,1,0,0|2,0,0]=4 53 B22R3.10733 Cc1nc(n[nH]1)c2ccccc2COC3CCOCC3 eb97c261b9137da632b0e9e6fdab6d12 [0,0,1,1,0,0|1,0,1]=4 54 B22R3.10733 Cc1noc(n1)c2ccccc2COC3CCOCC3 98c25c1caae76ac142765cf906171d99 [0,0,1,1,0,0|2,0,0]=4 55 B22R3.10733 Cc1nsc(n1)c2ccccc2COC3CCOCC3 cefa9f0fd4c24578a561804b70b38e84 [0,0,1,1,0,0|2,0,0]=4 56 B22R3.10733 Nc1cc([nH]n1)c2ccccc2COC3CCOCC3 4eeefdea9125f9b1d778fb2e21b34a72 [0,0,1,1,0,0|1,0,0]=3 57 B22R3.10733 Nc1cc(sn1)c2ccccc2COC3CCOCC3 4616d86a08187ae439aefd2e53abf3c2 [0,0,1,1,0,0|2,0,0]=4 58 B22R3.10733 Nc1csc(n1)c2ccccc2COC3CCOCC3 33ad3ac1064c331b1836aa83fb855d31 [0,0,1,1,0,0|2,0,0]=4 59 B22R3.10733 Nc1n[nH]c(n1)c2ccccc2COC3CCOCC3 89570103895aed193f60d6d703798f7d [0,0,1,1,0,0|0,0,0]=2 60 B22R3.10733 Nc1nc(c[nH]1)c2ccccc2COC3CCOCC3 de573626c0f9960f5f37aeafdda2a071 [0,0,1,1,0,0|1,0,1]=4 61 B22R3.10733 Nc1nc(co1)c2ccccc2COC3CCOCC3 e40385a01f3070b684acb83998a72dc7 [0,0,1,1,0,0|2,0,0]=4 62 B22R3.10733 Nc1nc(cs1)c2ccccc2COC3CCOCC3 ca7d6712ae44da79f092418ddf786a68 [0,0,1,1,0,0|2,0,0]=4 63 B22R3.10733 Nc1nc(ns1)c2ccccc2COC3CCOCC3 89672e8dfeefb811389524e74aca5e82 [0,0,1,1,0,0|1,0,1]=4 64 B22R3.10733 Nc1ncc(s1)c2ccccc2COC3CCOCC3 7c341bf65842e286f37a9c49c4baa3d1 [0,0,1,1,0,0|2,0,0]=4 65 B22R3.10733 Nc1nnc(o1)c2ccccc2COC3CCOCC3 44e873fec928a062e68090d2ea9a897c [0,0,1,1,0,0|1,0,1]=4 66 B22R3.10733 Nc1nnc(s1)c2ccccc2COC3CCOCC3 aa1fbf5e0b73b13d20c137ee8c2a79b4 [0,0,1,1,0,0|1,0,1]=4 67 B22R3.10733 Oc1nc(n[nH]1)c2ccccc2COC3CCOCC3 438a296602a4dd6e88f1c0c99385b067 [0,0,1,1,0,0|1,0,1]=4 68 B20R2.7704683 Nc1nc(c2c(cccc2n1)NC(CO)CCO)N df54c8abf9b1e47c33b192d369c0196c [0,0,1,0,1,0|2,0,0]=4 69 B20R2.7704683 Nc1nc(c2c(cccc2n1)N[C@@H](CO)CCO)N b6cf62db21761ce0b335f185c000c719 [0,0,1,0,1,0|2,0,0]=4 70 B20R3.17 Cc1n[nH]c2c1cccc2COC3CCOCC3 6f6985d7b55be89643307c48c8fc2615 [1,0,0,0,1,0|2,0,0]=4 71 B20R3.17 Cn1ncc2c1cccc2COC3CCOCC3 93383e54152990371a7bebaee6779fb9 [1,0,0,0,1,0|2,0,0]=4 72 B20R3.5958 Cc1cc2cccc(c2cn1)COC3CCCC3 2e1836a7c4b9884c45f8c8cefba49752 [1,0,0,0,1,0|2,0,0]=4 73 B20R3.14321 Cn1cc2c(cccc2n1)COC3CCOCC3 125b8c9ec4f8e2f91c6653fb28d70a0e [1,0,0,0,1,0|2,0,0]=4 74 B20R3.251501 Clc1ncnc2c1c(c[nH]2)COC3CCOCC3 118203d3fc73101984858ab79d6d079d [1,0,0,0,1,0|2,0,0]=4 75 B20R3.251501 Clc1ncnn2c1c(cc2)COC3CCOCC3 7d62bd44782584806dfdeac5e3adeaba [1,0,0,0,1,0|2,0,0]=4 76 B20R3.3278134 Cn1ncc2c1c(ccc2)COC3CCOCC3 f4fb7543489a52efb81a2ac566d7ea01 [1,0,0,0,1,0|2,0,0]=4 77 B20R3.3465633 Nc1nc(c2c(cccc2n1)NCC3CCC3)N 918a7371bbac6398b3a07d91923980f3 [0,0,0,0,2,0|2,0,0]=4 78 B20R3.3465633 Nc1nc(c2c(cccc2n1)NCC3CCO3)N eaef54cf6cd7478d740887bef68b5428 [0,0,0,0,2,0|2,0,0]=4 79 B20R3.3465633 Nc1nc(c2c(cccc2n1)NC[C@@H]3CCO3)N 8b9f28352b5aad736c131068ffbb3f5e [0,0,0,0,2,0|2,0,0]=4 80 B20R3.3465633 Nc1nc(c2c(cccc2n1)NC[C@H]3CCO3)N 448c60c6b08b249d211ce174174cd13b [0,0,0,0,2,0|2,0,0]=4 81 B22R3.12505 Cc1cc2cccc(c2cn1)COCC3CCOCC3 dc5061f59bdf417adfb752901e6d23a7 [1,0,0,0,0,1|2,0,0]=4 82 B22R3.256035 Cc1cc2cccc(c2cn1)COC3CCCOCC3 39159984d6502a625e8befa15f1ec1bb [1,0,0,0,0,1|2,0,0]=4 83 B22R3.717197 Nc1nc(c2cc(ccc2n1)NCC3CCOCC3)N f83258c1991d5ca5324a99dc5593acc7 [0,0,0,0,1,1|2,0,0]=4 84 B22R3.717197 Nc1nc(c2nc(ccc2n1)NCC3CCOCC3)N 05b6db02fef3fa0ba347e4a7f8b37d8a [0,0,0,0,1,1|2,0,0]=4 85 B24R3.2709136 Nc1nc(c2c(cccc2n1)NCCCC3CCCCC3)N 31a5e404f5a6a4cce38dcbae165bb5c7 [0,0,0,0,0,2|2,0,0]=4 86 B24R3.2709136 Nc1nc(c2c(cccc2n1)NCCOC3CCCCO3)N 220613c20d034633927ee80400d2887b [0,0,0,0,0,2|2,0,0]=4