0 B16R2.25778 CC1CCCC(C1OCc2ccon2)C 6a2d1408d79566d76e9d9cff91851c34 [1,0,1,0,0,0|2,0,0]=4 1 B16R2.25778 CC1CCCC(C1OCc2ccsc2)C e90393981c626b07581c431239241b5a [1,0,1,0,0,0|1,1,0]=4 2 B16R2.25778 CC1CCCC(C1OCc2cnoc2)C e9d2b16d810dec6acfd722c275256134 [1,0,1,0,0,0|2,0,0]=4 3 B16R2.25778 CC1CCCC(C1OCc2cocn2)C 2d3a28c620b2aa0ee802778bc211a6bf [1,0,1,0,0,0|2,0,0]=4 4 B16R2.25778 CC1CCCC(N1CCc2ccsc2)C 236436977b1725b64194f7d5b221c92d [1,0,1,0,0,0|1,1,0]=4 5 B16R2.25778 C[C@@H]1CCC[C@@H](N1CCc2ccsc2)C f3a31aa795bdbeba60d52845b4233096 [1,0,1,0,0,0|1,1,0]=4 6 B16R2.25778 C[C@@H]1CCC[C@H](N1CCc2ccsc2)C ffa533ccbf804e57347ae1ffd4c3fd58 [1,0,1,0,0,0|1,1,0]=4 7 B16R2.25778 C[C@H]1CCC[C@@H](N1CCc2ccsc2)C dcea45b6aaa2fb2c872228432508dd43 [1,0,1,0,0,0|1,1,0]=4 8 B16R2.97378 CC1(CCCCC1NCc2ccon2)C 7d30fb98fac0b9fd784c7273b6551ea8 [1,0,1,0,0,0|2,0,0]=4 9 B16R2.97378 CC1(CCCCC1NCc2ccsc2)C a03c590eb308ff08e45c03f6db25812f [1,0,1,0,0,0|1,1,0]=4 10 B16R2.97378 CC1(CCCCC1NCc2cnoc2)C adafbf7e67f5ff85b0123ac360bbd618 [1,0,1,0,0,0|2,0,0]=4 11 B16R2.97378 CC1(CCCCC1NCc2cocn2)C a7f715db0d22a72cdea10a3bce510968 [1,0,1,0,0,0|2,0,0]=4 12 B16R2.97378 CC1(CCCCC1OCc2ccon2)C 53583b088ce3a33f94e371718242b01c [1,0,1,0,0,0|2,0,0]=4 13 B16R2.97378 CC1(CCCCC1OCc2ccsc2)C 3e0a9826e204b04830ce8fffc309b631 [1,0,1,0,0,0|1,1,0]=4 14 B16R2.97378 CC1(CCCCC1OCc2cnoc2)C 44fcbccf28e2de40560ae74fe4884fd0 [1,0,1,0,0,0|2,0,0]=4 15 B16R2.97378 CC1(CCCCC1OCc2cocn2)C aaceed970e01cb5798e1a0a0164260e0 [1,0,1,0,0,0|2,0,0]=4 16 B16R2.97378 CC1(CCCCN1CCc2ccsc2)C f719d7b40a2a9a9554a009835ae4fe6b [1,0,1,0,0,0|1,1,0]=4 17 B18R2.309093 CC1(CCCC(N1CCc2ccsc2)(C)C)C 6c8c5091045ca96f3be231b0d765be05 [0,1,1,0,0,0|1,1,0]=4 18 B16R1.12527 CC(C)CCCC(C)CCNc1ccoc1 466d87c3760ad7ef22b125eefebcd295 [0,0,2,0,0,0|1,0,0]=3 19 B16R1.12527 CC(C)CCCC(C)CCNc1ccon1 4206b9140ee9eecbb20eba792e38a38e [0,0,2,0,0,0|2,0,0]=4 20 B16R1.12527 CC(C)CCCC(C)CCNc1ccsc1 a49afb7a112cadc0d0537b58be3f2482 [0,0,2,0,0,0|1,1,0]=4 21 B16R1.12527 CC(C)CCCC(C)CCNc1cnoc1 c66aa9875319778766c6f7d2309e2cd0 [0,0,2,0,0,0|2,0,0]=4 22 B16R1.12527 CC(C)CCCC(C)CCNc1cocn1 ceb12be50806c3103f7780a041b3f411 [0,0,2,0,0,0|2,0,0]=4 23 B16R1.12527 CC(C)CCCC(C)CCOc1ccsc1 00e87809174c51cb98ba755890b47f36 [0,0,2,0,0,0|1,1,0]=4 24 B16R1.12527 CC(C)CCCC(C)CCOc1cnoc1 172009cc4b2347d27f3d793ed43dadda [0,0,2,0,0,0|2,0,0]=4 25 B16R1.12527 CC(C)CCCC(C)NCCc1ccsc1 651439d788893088141d340e2a11981b [0,0,2,0,0,0|1,1,0]=4 26 B16R1.12527 CC(C)CCCC(C)OCCc1ccsc1 3d783ae26b20dd67151a592ede8abb56 [0,0,2,0,0,0|1,1,0]=4 27 B18R2.65753 CC1=C(C(CCC1)(C)C)CNCc2ccoc2 8329d2b270d2c783a5d1d38b1e02e341 [0,0,1,0,0,1|0,0,2]=4 28 B18R2.65753 CC1=C(C(CCC1)(C)C)COCc2ccoc2 f1e183ea31355b9ae512235877e7055d [0,0,1,0,0,1|0,0,2]=4 29 B18R2.554229 CC(C)CCNC1(CCCc2c1cccc2)C 3d1b142b1b3343d47489e092d161fbda [0,0,1,0,0,1|2,0,0]=4 30 B18R2.554229 CC(C)CCOC1(CCCc2c1cccc2)C e3ebc47c09acceb1864358da8bad04ec [0,0,1,0,0,1|2,0,0]=4 31 B15R1.489 CC(C)CCCCCCNc1ccoc1 af83fdb647a4c4d8dda93e4f1e279c6d [1,0,2,0,0,0|1,0,0]=4 32 B15R1.489 CC(C)CCCCCNCc1ccoc1 251955a4ba77182844cda2cade9d639a [1,0,2,0,0,0|1,0,0]=4 33 B15R1.489 CC(C)CCCCCOCc1ccoc1 a7516ad4e00315c4c0e2cdb056d06703 [1,0,2,0,0,0|1,0,0]=4 34 B15R1.489 CC(C)CCCCOCCc1ccoc1 fe7fd81aa13eb81ab6e9e2c3f9e788e8 [1,0,2,0,0,0|1,0,0]=4 35 B15R1.1376 CCCCC[C@H](C)OCCc1ccoc1 7e9d3236d0b50a26068e263c28e0a6c1 [1,0,2,0,0,0|1,0,0]=4 36 B15R1.328 CCC(C)(C)CCNC(C)c1ccoc1 7d40349f541399011728e5f80fff1bf8 [1,0,2,0,0,0|1,0,0]=4 37 B15R1.328 CCC(C)(C)CCN[C@@H](C)c1ccoc1 f7d672553ed374bf94cada9f97ca7028 [1,0,2,0,0,0|1,0,0]=4 38 B15R1.328 CCC(C)(C)CCOC(C)c1ccoc1 652342e9820e83020cf07ae87e7e17a6 [1,0,2,0,0,0|1,0,0]=4 39 B15R2.562 CC1CCCCC1CNc2ccoc2 69072dcc8c228afc8cf895c6b8fe98e8 [2,0,1,0,0,0|1,0,0]=4 40 B15R2.562 C[C@@H]1CCCC[C@@H]1NCc2ccoc2 4ab248d05ac25351df3f61a589fb62a4 [2,0,1,0,0,0|1,0,0]=4 41 B15R2.562 C[C@@H]1CCCC[C@@H]1OCc2ccoc2 32f28de3239d066aa74288c222524a7b [2,0,1,0,0,0|1,0,0]=4 42 B17R2.42580 CC(C)[C@@H]1CC[C@H](C[C@H]1Nc2ccoc2)C b86ecf20d4f7c4f412868f099ede403b [0,0,2,1,0,0|1,0,0]=4 43 B17R2.42580 CC(C)[C@H]1CC[C@@H](C[C@@H]1Nc2ccoc2)C 6079618afc4e7b47b8089d47a5d0063b [0,0,2,1,0,0|1,0,0]=4 44 B17R2.42580 CC(C)[C@H]1CC[C@@H](C[C@H]1Nc2ccoc2)C 26beb4444662c63fc3f9499390aee7be [0,0,2,1,0,0|1,0,0]=4 45 B17R2.42580 CC1CCC(C(C1)Nc2ccoc2)C(C)C 8f7f760905ff14b6436dec9d92fcd9aa [0,0,2,1,0,0|1,0,0]=4 46 B17R2.60422 CC(C)CCOC1(CCCC1)c2ccoc2 8dadbbdceee00b9490d1808c12742514 [0,0,2,1,0,0|1,0,0]=4 47 B15R1.12292 CC(C)CCC(C)CNCc1ccoc1 5b1192fa0ebd7171ed5e2ea559d397cd [0,0,2,0,1,0|1,0,0]=4 48 B15R1.12292 CC(C)CCC(C)COCc1ccoc1 78d9897e4d50a615f3f7ba6a32c537ad [0,0,2,0,1,0|1,0,0]=4 49 B17R1.16379 CC(C)CCCC(C)CCNCc1cc[nH]c1 f0420467ebe8382314e7c78691db1e12 [0,0,2,0,0,1|1,0,0]=4 50 B17R1.16379 CC(C)CCCC(C)CCNCc1ccoc1 7a00d6f4b3536d177cb4e96fb252d46b [0,0,2,0,0,1|0,0,0]=3 51 B17R1.16379 CC(C)CCCC(C)CCNCc1ccon1 690807877f10cd2222bfacf80b4a27e8 [0,0,2,0,0,1|1,0,0]=4 52 B17R1.16379 CC(C)CCCC(C)CCNCc1ccsc1 1231484ccf5b81ca74616cee81f3295a [0,0,2,0,0,1|0,1,0]=4 53 B17R1.16379 CC(C)CCCC(C)CCNCc1cnoc1 6af48e15f5834d777e25bb1e3e42bfb9 [0,0,2,0,0,1|1,0,0]=4 54 B17R1.16379 CC(C)CCCC(C)CCNCc1cocn1 15b1aa84974aefc986f60a7578b6404a [0,0,2,0,0,1|1,0,0]=4 55 B17R1.16379 CC(C)CCCC(C)CCOCc1cc[nH]c1 1a11c2b20651ddde402405b2e6a84020 [0,0,2,0,0,1|1,0,0]=4 56 B17R1.16379 CC(C)CCCC(C)CCOCc1ccoc1 04cecdf167cc3b0c59ee4bee03bcb832 [0,0,2,0,0,1|0,0,0]=3 57 B17R1.16379 CC(C)CCCC(C)CCOCc1ccon1 e1a4f71254b4ceaff206b64029d6afdb [0,0,2,0,0,1|1,0,0]=4 58 B17R1.16379 CC(C)CCCC(C)CCOCc1ccsc1 afd13f83168c4e54c607ae893d7bff3d [0,0,2,0,0,1|0,1,0]=4 59 B17R1.16379 CC(C)CCCC(C)CCOCc1cnoc1 3f0ae9b6e31a9b03d1fc73066bf2f447 [0,0,2,0,0,1|1,0,0]=4 60 B17R1.16379 CC(C)CCCC(C)CCOCc1cocn1 be4feccebfe000a30a6138dcf7722a77 [0,0,2,0,0,1|1,0,0]=4 61 B17R1.16379 CC(C)CCCC(C)NCCCc1ccsc1 21b53eab33998c8db92a426b0ae81ab2 [0,0,2,0,0,1|0,1,0]=4 62 B17R1.16379 CC(C)CCCC(C)OCCCc1ccsc1 5331b0e6793bf4744b8f873177264e83 [0,0,2,0,0,1|0,1,0]=4 63 B17R1.16379 CC(C)CCC[C@H](C)CCOCc1ccon1 631d17205a7d225bdf47c9d81cf31770 [0,0,2,0,0,1|1,0,0]=4 64 B17R1.16379 CC(C)CCC[C@H](C)CCOCc1ccsc1 947d9677b4181c9a5ff9a4221d34b04a [0,0,2,0,0,1|0,1,0]=4 65 B17R1.16379 CC(C)CCC[C@H](C)CCOCc1cnoc1 da9095546b45b4813eeb740f18ae2dc0 [0,0,2,0,0,1|1,0,0]=4 66 B17R1.16379 CC(C)CCC[C@H](C)CCOCc1cocn1 a65fa50ab92361099842dbb810caac65 [0,0,2,0,0,1|1,0,0]=4 67 B17R2.41802 CC1CCCC(C1COCc2ccon2)C 8dfae452b76496c93f6bcc1f06efc925 [1,0,1,0,0,1|1,0,0]=4 68 B17R2.41802 CC1CCCC(C1COCc2ccsc2)C fe570eb558edf27df0555f87989d7d9d [1,0,1,0,0,1|0,1,0]=4 69 B17R2.41802 CC1CCCC(C1COCc2cnoc2)C 7c92540a8fd51cd61d198cf274de1126 [1,0,1,0,0,1|1,0,0]=4 70 B17R2.41802 CC1CCCC(C1COCc2cocn2)C 1eb690ee4bf61285878aca204d4eb118 [1,0,1,0,0,1|1,0,0]=4 71 B17R2.41802 CC1CCCC(C1OCCc2ccsc2)C 7aa4f73c5e05a61bcc752ffa36fe8d74 [1,0,1,0,0,1|0,1,0]=4 72 B17R2.167432 CC1(CCCCC1OCCc2ccsc2)C 1a69c927ffbd0261a547c2f7f01de1ed [1,0,1,0,0,1|0,1,0]=4 73 B19R2.1020270 CC(C)CCCNC1(CCCc2c1cccc2)C eba64bcc08b846a96badc6637a62fed3 [0,0,1,0,0,2|1,0,0]=4 74 B19R2.1020270 CC(C)CCCOC1(CCCc2c1cccc2)C bb8c3df5950fa1de53550ad64de0f3dc [0,0,1,0,0,2|1,0,0]=4