0 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,0,0,0,0,0|2,0,1]=3 2 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 CNC(=O)CNC#N 7ba4abe3fad3b11746e82f87bf46d0a1 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,1]=4 17 B8R0.1 C/C=C/CC(=O)NC#N 95eeadaeea85985ba427ddbb023e6b74 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.1 C=C/C=C/C(=O)NC#N a4a1b6867eec9fceccb258cc6d533384 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.1 C=C/C=C\C(=O)NC#N 9db5e73db5d2b311a984ee1659833907 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.1 C=CC=CC(=O)NC#N cf7e589c8700abdff8ef03194479cbd6 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.1 CC/C=C/C(=O)NC#N 5fcd53bd7975d09374cbc0f6f74808a7 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.1 CC/C=C\C(=O)NC#N f1a830ca314db23c72fad4524cded454 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.1 CCC=CC(=O)NC#N 13a299c95ac87aed2620de8b5e416dd2 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,0,0,0,0|2,0,1]=4 25 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,1,0,0,0,0|2,0,1]=4 26 B8R0.1 CO/C=C/C(=O)NC#N 3d4543adcb7bc8382bc4304a13431ce6 [0,1,0,0,0,0|0,1,1]=3 27 B8R0.1 COC=CC(=O)NC#N 6ef2abac560507fd2ac10086a18dff73 [0,1,0,0,0,0|0,1,1]=3 28 B8R0.1 CSCCC(=O)NC#N aef0d4e74706fd59073e203e77c34320 [0,1,0,0,0,0|0,0,3]=4 29 B8R0.1 CSSCC(=O)NC#N 679d89448bf7650a255c7f4ed89b302b [0,1,0,0,0,0|1,0,2]=4 30 B8R0.1 N#CC=CC(=O)NC#N 4baa3b01353d8769dc6dba4c0565e3f4 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.1 N#CNC(=O)/C=C/CF 9362167401893cc0f580c0da8d42f11c [0,1,0,0,0,0|2,0,1]=4 32 B8R0.1 N#CNC(=O)/C=C/CO bcf29ec9807b39ee3edb204bd6781eca [0,1,0,0,0,0|2,0,1]=4 33 B8R0.1 N#CNC(=O)C=CCO 42dd1b132d79ab884616e33ef5f5f762 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,0,0,0,0|2,0,1]=4 35 B8R0.3 CNC(=O)C(=O)NC#N ce9cbe512024f5a241dd8e77114569e1 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,1,0,0,0,0|1,0,2]=4 38 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,1,0,0,0,0|1,0,2]=4 39 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,0,0,0,0|1,0,2]=4 41 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,1,0,0,0,0|0,1,2]=4 43 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,1,0,0,0,0|0,1,2]=4 46 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,1,0,0,0,0|2,0,1]=4 47 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,1,0,0,0,0|2,0,1]=4 48 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,1,0,0,0,0|2,0,1]=4 49 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,1,0,0,0,0|2,0,1]=4 51 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,1,0,0,0,0|0,1,2]=4 52 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,1,0,0,0,0|0,1,2]=4 56 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,1,0,0,0,0|1,0,2]=4 59 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,1,0,0,0,0|2,0,1]=4 61 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,0,0,1,0,0|2,0,1]=4 68 B7R0.7 C/C=C/C(=O)NC#N 0ae61ad14dd91be688708d0097c2e2f5 [1,1,0,0,0,0|0,0,1]=3 69 B7R0.7 CSCC(=O)NC#N b05a488e02281b18583d705ae1321716 [1,1,0,0,0,0|0,0,2]=4 70 B7R0.7 N#CNC(=O)/C=C/Br 8762fc899c8bee976ebc0dd57f5cce6a [1,1,0,0,0,0|1,0,1]=4 71 B7R0.7 N#CNC(=O)/C=C/Cl 802834fc0ba118eddab5b1a27f5fd003 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.7 N#CNC(=O)/C=C/I 697dde87dd6876d5b64d7d68c0fae672 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.7 N#CNC(=O)/C=C\Br 07f65583368a74fc8af478eece2275dc [1,1,0,0,0,0|1,0,1]=4 74 B7R0.7 N#CNC(=O)/C=C\Cl c319a50e3d0acd9b590647ab02bf7fa9 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.7 N#CNC(=O)/C=C\I cd6f8e1d9ead8bb71a602e3301b20668 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.7 N#CNC(=O)C=CBr d5b8da3e80d80ac4f6a859f1d47f4df2 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.7 N#CNC(=O)C=CI 3b520ee0418d0eca4930052ab4dd4891 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|0,0,2]=4 80 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|0,0,2]=4 81 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|0,0,2]=4 82 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|0,0,2]=4 83 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|0,0,2]=4 84 B9R0.5 C/C=C/C=C/C(=O)NC#N 1ba2b9d5c8b70a6648b3ddb0ce6f99d4 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.5 CC/C=C/CC(=O)NC#N d473e7011cfdc353027f7adb20498783 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.5 CC/C=C\CC(=O)NC#N 76b55d4234e6f60368fbfbe7b3a75383 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.5 CC=CC=CC(=O)NC#N 1427c3a01524716eab6907b470833086 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.5 CCC/C=C/C(=O)NC#N 2e9f595d175f08316ecbd3b0ca50ce0c [0,2,0,0,0,0|1,0,1]=4 89 B9R0.5 CCC=CCC(=O)NC#N adda51cc3950a3be2c19eeef8078eeb6 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.5 CCCC=CC(=O)NC#N 31a9bc483a52b4df4a7e6a75b1bf7f7e [0,2,0,0,0,0|1,0,1]=4 91 B9R0.5 CCNC(=O)CNCSC 581cd0eb74e9a8a8bdc513b22d20213a [0,2,0,0,0,0|0,0,2]=4 92 B9R0.5 CCNC(=O)COCSC 36a6937f66bbc3380df8d44f8b9020d8 [0,2,0,0,0,0|0,0,2]=4 93 B9R0.5 CCO/C=C/C(=O)NC#N f271309cef232f6f456a496acf1a17ba [0,2,0,0,0,0|0,1,1]=4 94 B9R0.5 CCOC=CC(=O)NC#N 3207d8bd3c074cdec0b73b958db01e76 [0,2,0,0,0,0|0,1,1]=4 95 B9R0.5 COC/C=C/C(=O)NC#N 3189d9873372766e4ea2133e34534066 [0,2,0,0,0,0|0,1,1]=4 96 B9R0.5 COCC=CC(=O)NC#N 9a6dd0f0bcb5e8818befd71f1f29d963 [0,2,0,0,0,0|0,1,1]=4 97 B9R0.8 C/C=C/CC(=O)N(C)CC cdc05690ea69de51e0d579f516c55965 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.8 C=C/C=C/C(=O)N(C)CC ec3e555b40e82de44f5e5a3d078284ef [0,2,0,0,0,0|1,0,1]=4 99 B9R0.8 C=C/C=C\C(=O)N(C)CC 851984728626a978c34b494a58a8a489 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.8 C=CC=CC(=O)N(C)CC f787229ea7ff1771d61092ded6fc9777 [0,2,0,0,0,0|1,0,1]=4 101 B9R0.8 CC/C=C/C(=O)N(C)CC 033788247c174fe9e138cfa6809bce41 [0,2,0,0,0,0|1,0,0]=3 102 B9R0.8 CC/C=C\C(=O)N(C)CC 1377f1ca99be4127d1258c7031437a2f [0,2,0,0,0,0|1,0,0]=3 103 B9R0.8 CCC=CC(=O)N(C)CC d53ea4483a4aa77d0f14bd68cf93c172 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.8 CCCNC(=O)C(=O)NC e46f12d3c545490ec9dbfc1a136b4b02 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.8 CCN(C)C(=O)/C=C/CF a87f1c7eba72fb44e7ce1ff5e6733282 [0,2,0,0,0,0|2,0,0]=4 106 B9R0.8 CCN(C)C(=O)/C=C/CO 5e4a46340febab12494b1eb2e0aeceb2 [0,2,0,0,0,0|2,0,0]=4 107 B9R0.8 CCN(C)C(=O)/C=C/OC f05c39e20b84877dba64b388459385ee [0,2,0,0,0,0|0,1,0]=3 108 B9R0.8 CCN(C)C(=O)C=CC#N 8ac8c2a5eb5a9ed237b6da2b9b98ae16 [0,2,0,0,0,0|2,0,0]=4 109 B9R0.8 CCN(C)C(=O)C=CCO 37b322c6f1cbde96ab1296bc0f232b66 [0,2,0,0,0,0|2,0,0]=4 110 B9R0.8 CCN(C)C(=O)C=COC 6bf7274ec68fa7d9293a2f259696c002 [0,2,0,0,0,0|0,1,0]=3 111 B9R0.8 CCN(C)C(=O)CCSC fb6bfe34974fe6f4d63bc1e3eca693e5 [0,2,0,0,0,0|0,0,2]=4 112 B9R0.8 CCN(C)C(=O)CSSC 307bc8251e5134ef58a6ce58ce16fae2 [0,2,0,0,0,0|1,0,1]=4 113 B9R0.8 CCOC=C(F)C(=O)OC 8533dc5da2314954488a7df259a72902 [0,2,0,0,0,0|1,1,0]=4 114 B9R0.8 CNC(=O)C(=O)NCCBr f8c63594bf47348149f74d45109933bf [0,2,0,0,0,0|2,0,0]=4 115 B9R0.8 CNC(=O)C(=O)NCCF 697dd0ff4e4e824bd392cb165edd2d97 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.8 CNC(=O)C(=O)NCCI 79969295ddf67bb8ea5100823a97e3ab [0,2,0,0,0,0|2,0,0]=4 117 B9R0.8 CNC(=O)C(=O)NCCO 0faeaeeb75e067b34fa6aae2cf031742 [0,2,0,0,0,0|2,0,0]=4 118 B9R0.8 CNC(=O)C(=O)NCCS e026e8ab3abe5a671931ba14a8395c38 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.8 CNC(=O)C(C)NCSC ea1716faf340f1818806a7abcc0c6840 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.8 COC(=O)C(=COCF)F c44529ae7f33130c94670a08deb1f768 [0,2,0,0,0,0|1,1,0]=4 121 B9R0.18 C#CCNC(=O)/C=C/C=C f0b0525b00648ef92d342db658b1d3b8 [0,2,0,0,0,0|1,0,1]=4 122 B9R0.18 C#CCNC(=O)/C=C/CC c3c1beffdc0da78174bf037faf077bf5 [0,2,0,0,0,0|1,0,0]=3 123 B9R0.18 C#CCNC(=O)/C=C/CF b2b3ee583363e6738e115323562a9afd [0,2,0,0,0,0|2,0,0]=4 124 B9R0.18 C#CCNC(=O)/C=C/CO 5037923ab14f66cfad0c72065e673465 [0,2,0,0,0,0|2,0,0]=4 125 B9R0.18 C#CCNC(=O)/C=C/OC 3b555e467f8d36197d4b84da3cfc90ac [0,2,0,0,0,0|0,1,0]=3 126 B9R0.18 C#CCNC(=O)/C=C\C=C 14ed63015a3e6cb684961322c319a4d7 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.18 C#CCNC(=O)/C=C\CC 85fab97891978ac298efb8820aa27ce2 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.18 C#CCNC(=O)C/C=C/C 9b0977f0e69d5e6c5f1f95dde9a709e3 [0,2,0,0,0,0|1,0,1]=4 129 B9R0.18 C#CCNC(=O)C=CC#N 382d5b699e0b580c68899089fda1e26a [0,2,0,0,0,0|2,0,0]=4 130 B9R0.18 C#CCNC(=O)C=CC=C e668944313434a13f7322c6a600ba296 [0,2,0,0,0,0|1,0,1]=4 131 B9R0.18 C#CCNC(=O)C=CCC 9e240c1ab002525a7e6a411667cfcd37 [0,2,0,0,0,0|1,0,0]=3 132 B9R0.18 C#CCNC(=O)C=CCO 672852def2c47528623e7cbd10f5492c [0,2,0,0,0,0|2,0,0]=4 133 B9R0.18 C#CCNC(=O)C=COC 9f5118956161033dc1543b18bdf3a602 [0,2,0,0,0,0|0,1,0]=3 134 B9R0.18 C#CCNC(=O)CCSC 7086aa684322ccec2c3e4260dd7fcb4d [0,2,0,0,0,0|0,0,2]=4 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[0,2,0,0,0,0|1,0,1]=4 147 B9R0.18 C=C/C=C/C(=O)NCCI 671d50f31f616814a26211768163bb49 [0,2,0,0,0,0|1,0,1]=4 148 B9R0.18 C=C/C=C/C(=O)NCCO 84cabd46bcaa3ce54eced688b872193d [0,2,0,0,0,0|1,0,1]=4 149 B9R0.18 C=C/C=C/C(=O)NCCS 36586e03abc7a2f2b3c0061554a2ffb5 [0,2,0,0,0,0|1,0,1]=4 150 B9R0.18 C=C/C=C\C(=O)NCC#N 7023fcd9399adec61d7a416b7a687b44 [0,2,0,0,0,0|1,0,1]=4 151 B9R0.18 C=C/C=C\C(=O)NCCBr a49f65f9402775ef02e948cd7b975a1c [0,2,0,0,0,0|1,0,1]=4 152 B9R0.18 C=C/C=C\C(=O)NCCC c0156ffebe98b66f4e26bb3d1670da8c [0,2,0,0,0,0|1,0,1]=4 153 B9R0.18 C=C/C=C\C(=O)NCCF aec0cf18cb0e7b29eed657fc7a1e5afe [0,2,0,0,0,0|1,0,1]=4 154 B9R0.18 C=C/C=C\C(=O)NCCI 66bdf2feccd49490567c5d20fb141202 [0,2,0,0,0,0|1,0,1]=4 155 B9R0.18 C=C/C=C\C(=O)NCCO 1c213bed3877e97a951b6dd41834f3a2 [0,2,0,0,0,0|1,0,1]=4 156 B9R0.18 C=C/C=C\C(=O)NCCS fea1ef388904312b919eb18f02bafd16 [0,2,0,0,0,0|1,0,1]=4 157 B9R0.18 C=CC=CC(=O)NCC#N 828b850a9447694aedbb702263e63e74 [0,2,0,0,0,0|1,0,1]=4 158 B9R0.18 C=CC=CC(=O)NCCBr 0503081e50d4ec51bb10f901e1d82f5b [0,2,0,0,0,0|1,0,1]=4 159 B9R0.18 C=CC=CC(=O)NCCC 4ac7d936250849aaf88bec9640f41d33 [0,2,0,0,0,0|1,0,1]=4 160 B9R0.18 C=CC=CC(=O)NCCF 472791024d34eb3a94361b55821717af [0,2,0,0,0,0|1,0,1]=4 161 B9R0.18 C=CC=CC(=O)NCCI 29f23d14f8b98d20bba802946cee3637 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.18 C=CC=CC(=O)NCCO 33efd795c69b3cd508d0081edd0a1405 [0,2,0,0,0,0|1,0,1]=4 163 B9R0.18 C=CC=CC(=O)NCCS ab749ec9ccb6011b2e0c6fdde08d4132 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.18 CC/C=C/C(=O)NCC#N ff596ddd931f9145dbdcaea6f6ba4b34 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.18 CC/C=C/C(=O)NCCBr ee8d58d5055e43b68d59927d2e33cfa2 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.18 CC/C=C/C(=O)NCCC 097750926e3d99168c7ae958e0b63aa1 [0,2,0,0,0,0|1,0,0]=3 167 B9R0.18 CC/C=C/C(=O)NCCF f17fc52ad6555fcc99c7681f7bafb025 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.18 CC/C=C/C(=O)NCCI a0ca9a4040ad11de0727cd346ff6e365 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.18 CC/C=C/C(=O)NCCO 08706e37528a32b5e8fd5fafc311f358 [0,2,0,0,0,0|1,0,0]=3 170 B9R0.18 CC/C=C/C(=O)NCCS ca25c418eb639f8f275092502017b8a4 [0,2,0,0,0,0|1,0,0]=3 171 B9R0.18 CC/C=C\C(=O)NCC#N 48fd0d9d23329760b69fc8e5a21de973 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.18 CC/C=C\C(=O)NCCBr 31b076141fd5eae592f6a6f835cad014 [0,2,0,0,0,0|1,0,0]=3 173 B9R0.18 CC/C=C\C(=O)NCCC 2e01bf87a7f45ff1d01b0bf52ce2e79c [0,2,0,0,0,0|1,0,0]=3 174 B9R0.18 CC/C=C\C(=O)NCCF 76a019df86ac7c1e6258651339cb29f7 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.18 CC/C=C\C(=O)NCCI 1443de2a84643e25d41c3a73eaf99811 [0,2,0,0,0,0|1,0,0]=3 176 B9R0.18 CC/C=C\C(=O)NCCO 36732c392e163e67de85f10bd492904e [0,2,0,0,0,0|1,0,0]=3 177 B9R0.18 CC/C=C\C(=O)NCCS cb421ffc85a07bd9cc0036a98b12c2e4 [0,2,0,0,0,0|1,0,0]=3 178 B9R0.18 CCC=CC(=O)NCC#N 16f9187f2f3797ede1c752bacff43920 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.18 CCC=CC(=O)NCCBr 3bdad91a0456ac6b0987cbbfe21004cb [0,2,0,0,0,0|1,0,0]=3 180 B9R0.18 CCC=CC(=O)NCCC a3276d4bfec7425f957ca6583de8d8a3 [0,2,0,0,0,0|1,0,0]=3 181 B9R0.18 CCC=CC(=O)NCCF 1f5aea88f3f965afbab72851442d5a70 [0,2,0,0,0,0|1,0,0]=3 182 B9R0.18 CCC=CC(=O)NCCI 34d7c106d48a6ee0fa44f1ae10e8a912 [0,2,0,0,0,0|1,0,0]=3 183 B9R0.18 CCC=CC(=O)NCCO 9fc7a140eccb6be107eccc3b03c28609 [0,2,0,0,0,0|1,0,0]=3 184 B9R0.18 CCC=CC(=O)NCCS b28b0bba7928b07cf0c23858191c60ac [0,2,0,0,0,0|1,0,0]=3 185 B9R0.18 CCCNC(=O)/C=C/CF 9f6bd068b181c7e8341b03e4961ce703 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.18 CCCNC(=O)/C=C/CO c190444d5bd64d36c3387385e202f269 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.18 CCCNC(=O)/C=C/OC c5592272967d4efa44d6fb8a54bb72ea [0,2,0,0,0,0|0,1,0]=3 188 B9R0.18 CCCNC(=O)C=CC#N 91db30d4c3ad51781661cfd333871814 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.18 CCCNC(=O)C=CCO 49cfd4b997d1c09ce2b3615e9d82bbb1 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.18 CCCNC(=O)C=COC a5c0f3873625ddeaddcb2b26ccbd1309 [0,2,0,0,0,0|0,1,0]=3 191 B9R0.18 CCCNC(=O)CCSC 37189979a283ab62744d36502a721481 [0,2,0,0,0,0|0,0,2]=4 192 B9R0.18 CCCNC(=O)CSSC 8af2df8b10dc9638c50f82a7925427c1 [0,2,0,0,0,0|1,0,1]=4 193 B9R0.18 CO/C=C/C(=O)NCC#N e9460a4e176bc41a66bb65000bd0e9c0 [0,2,0,0,0,0|0,1,0]=3 194 B9R0.18 CO/C=C/C(=O)NCCBr 7cdaebe1e4f0eb36dccf2555fe71dcd1 [0,2,0,0,0,0|0,1,0]=3 195 B9R0.18 CO/C=C/C(=O)NCCF f35eb8dfb5ac76e98aefc5b85df503e8 [0,2,0,0,0,0|0,1,0]=3 196 B9R0.18 CO/C=C/C(=O)NCCI fcb5b25f5b8c19fda6ac7e56c540cb62 [0,2,0,0,0,0|0,1,0]=3 197 B9R0.18 CO/C=C/C(=O)NCCO d09af996dea26ae6a271b5517bb31209 [0,2,0,0,0,0|0,1,0]=3 198 B9R0.18 CO/C=C/C(=O)NCCS 94cbc89b592789f9c55ad4de9854a108 [0,2,0,0,0,0|0,1,0]=3 199 B9R0.18 COC=CC(=O)NCC#N 9dc6814ab1debe20477e6cbcef37c0e3 [0,2,0,0,0,0|0,1,0]=3 200 B9R0.18 COC=CC(=O)NCCBr ce9d0dd36b9945a990e4f54cb9708579 [0,2,0,0,0,0|0,1,0]=3 201 B9R0.18 COC=CC(=O)NCCF 183e63b6de95d1127abb2f3ca3f17bf9 [0,2,0,0,0,0|0,1,0]=3 202 B9R0.18 COC=CC(=O)NCCI c8c2a441aced954e1cee4253a1f0dfa7 [0,2,0,0,0,0|0,1,0]=3 203 B9R0.18 COC=CC(=O)NCCO 264f7103fcfd686b7ba2e9d95ba98d86 [0,2,0,0,0,0|0,1,0]=3 204 B9R0.18 COC=CC(=O)NCCS afc82b128cd02061985a3d265b6bc400 [0,2,0,0,0,0|0,1,0]=3 205 B9R0.18 CSCCC(=O)NCC#N 7a03f529e7e14acc3e7cdf4cbee9a488 [0,2,0,0,0,0|0,0,2]=4 206 B9R0.18 CSCCC(=O)NCCBr ea08a7bfbf45e1f8a38b3f26dca6c117 [0,2,0,0,0,0|0,0,2]=4 207 B9R0.18 CSCCC(=O)NCCF 6f7acbde84975c223e97e32c1cc35da8 [0,2,0,0,0,0|0,0,2]=4 208 B9R0.18 CSCCC(=O)NCCI 93f1353dc20c43b8184cf13e3552539a [0,2,0,0,0,0|0,0,2]=4 209 B9R0.18 CSCCC(=O)NCCO cd589d7a0e4d026a26420d69f13f3bd8 [0,2,0,0,0,0|0,0,2]=4 210 B9R0.18 CSCCC(=O)NCCS fe572177d565b550f9b6d1c54b01450c [0,2,0,0,0,0|0,0,2]=4 211 B9R0.18 CSSCC(=O)NCC#N 59061452b7c61b1a343ba2d74bae1e7e [0,2,0,0,0,0|1,0,1]=4 212 B9R0.18 CSSCC(=O)NCCBr 7aeab67d520ef9d3b62c3e1e1d375865 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.18 CSSCC(=O)NCCF aabda97110c3e64bc73d5ac3d226b7f1 [0,2,0,0,0,0|1,0,1]=4 214 B9R0.18 CSSCC(=O)NCCI af2295c42b68ef707b3dd97562c3d235 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.18 CSSCC(=O)NCCO d93786c470c8be236b53f6ec772c4301 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.18 CSSCC(=O)NCCS 674fb9647bb10c7e14142dc05ea001bd [0,2,0,0,0,0|1,0,1]=4 217 B9R0.18 N#CC=CC(=O)NCC#N 45e596bc97af69b2ccce51ded63a1d34 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.18 N#CC=CC(=O)NCCBr b9ee74561ebacfd6d571335b8e1ab524 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.18 N#CC=CC(=O)NCCF 6f2757f72f9df1bf86257bb432477db5 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.18 N#CC=CC(=O)NCCI a62d3589f2f464e14c654ff01f26a3f0 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.18 N#CC=CC(=O)NCCO e1b49ebe2d7daf9dde8dbd87fb1ae9a2 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.18 N#CC=CC(=O)NCCS 4e718872aa24716e1abe212117f54f47 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.18 N#CCNC(=O)/C=C/CF fd51acf08dd896ea76723be6a0502b5e [0,2,0,0,0,0|2,0,0]=4 224 B9R0.18 N#CCNC(=O)/C=C/CO f19728c11945c1e0978a6dd76377900e [0,2,0,0,0,0|2,0,0]=4 225 B9R0.18 N#CCNC(=O)C=CCO fdc44a5605c259bafa76b137dd062ff2 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.18 O=C(/C=C/CF)NCCBr 8444563ad57bbc533bc23c8857554621 [0,2,0,0,0,0|2,0,0]=4 227 B9R0.18 O=C(/C=C/CF)NCCF 67f4c37cdae640d4b6fcb5f988e52d78 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.18 O=C(/C=C/CF)NCCI a8a83ba546ac098597abcd5a9223e519 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.18 O=C(/C=C/CF)NCCO d5e2d6c922ab900bee3e4c4e432a624f [0,2,0,0,0,0|2,0,0]=4 230 B9R0.18 O=C(/C=C/CF)NCCS efda5310879ed9536b15a4e78d6ccaf8 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.18 O=C(/C=C/CO)NCCBr dc1791d45f8e54523ca9630ac893db77 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.18 O=C(/C=C/CO)NCCF 84e601274bc4cb1ac546a416f7ac8379 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.18 O=C(/C=C/CO)NCCI 91e5f8227b219855d7acde6cb9b7b5c7 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.18 O=C(/C=C/CO)NCCO ac34431dcee8ab202fb4ff83a47b0991 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.18 O=C(/C=C/CO)NCCS c56c5bd496c191258dd67cce23ef400c [0,2,0,0,0,0|2,0,0]=4 236 B9R0.18 O=C(C=CCO)NCCBr 04d73fe4e69b51c48f3b59189eb022ad [0,2,0,0,0,0|2,0,0]=4 237 B9R0.18 O=C(C=CCO)NCCF 5bf43abf8dc34d8fc89608387e7de15f [0,2,0,0,0,0|2,0,0]=4 238 B9R0.18 O=C(C=CCO)NCCI 315ddde01244d46f05a775a469c7e008 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.18 O=C(C=CCO)NCCO 06fc80c5cd3fe542ac8916a513aea260 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.18 O=C(C=CCO)NCCS 58303a2acff99566e1d86a9c3507a008 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.34 CC/C(=C/C(=O)NC#N)/C bc987fc4d1189da2424e0ea22f894233 [0,2,0,0,0,0|1,0,1]=4 242 B9R0.34 CC/C(=C\C(=O)NC#N)/C 649452da65048ba093983298d0a8d7ec [0,2,0,0,0,0|1,0,1]=4 243 B9R0.34 CCC(=O)/C=C(\C)/OCF 5fc987fc9d115b836526304c12dd453a [0,2,0,0,0,0|1,1,0]=4 244 B9R0.34 CCO/C(=C/C(=O)CC)/C c820e01072ca31bdd89ad2eb64e446a9 [0,2,0,0,0,0|1,1,0]=4 245 B9R0.34 CNC(=O)CN(C)CSC 5d7dd8ba42ec1e1e76234eb87b1d093e [0,2,0,0,0,0|0,0,2]=4 246 B9R0.35 C=C(CSC)C(=O)NC#N 5cdaf063869d94a066e19b528da07223 [0,2,0,0,0,0|0,0,2]=4 247 B9R0.35 CC/C=C(\C)/C(=O)NC#N aa9b3e37bea9e3ad6efa7c7229c6ce5f [0,2,0,0,0,0|1,0,1]=4 248 B9R0.35 CCC=C(C)C(=O)NC#N f478791b87fc594bfeb47f41d7e7dcc7 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.48 CC(=O)/C=C/C(=O)NC#N b66085c9c673eda365a0e889030119aa [0,2,0,0,0,0|1,0,1]=4 250 B9R0.48 CC(=O)C=CC(=O)NC#N 3064aa8fee1bf323ec0dd0e42caec61c [0,2,0,0,0,0|1,0,1]=4 251 B9R0.48 CC(C)/C=C/C(=O)NC#N de89eed36dc323ca54db0174038e2e11 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.27 CCN(C)C(=O)C(=O)NC 1b0579ca1003148c13deaa4534fac5a4 [0,2,0,0,0,0|2,0,0]=4 253 B9R0.24 CCC(=O)NCC(=O)NC 8de52928441a61924092fabfe9a4462b [0,2,0,0,0,0|1,0,1]=4 254 B9R0.46 C/C=C/CNCC(=O)NC 8e3de86f1231002ff0267446d29ca177 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.46 C/C=C/COCC(=O)NC 7ca6eb8ef07f9102e1d5183e7cb2a20a [0,2,0,0,0,0|1,0,1]=4 256 B9R0.46 C/C=C\CNCC(=O)NC 8730501e22817d895a4bc3c7f6db43a1 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.46 C/C=C\COCC(=O)NC 0bafd4ee32f4c9b4725aa58574cfd6b6 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.46 CC=CCNCC(=O)NC 27e493144ac31b01ede8d090926b11ec [0,2,0,0,0,0|1,0,1]=4 259 B9R0.46 CC=CCOCC(=O)NC d82b9b1b09f4b55b854c822c86f580fa [0,2,0,0,0,0|1,0,1]=4 260 B9R0.46 CCOC/C=C/C(=O)OC 768298698af36b745bc9dad60b33bf97 [0,2,0,0,0,0|1,1,0]=4 261 B9R0.46 CNC(=O)CCNCSC 0dbf9ad1e8e43ecf93b4bf63fc81dbaa [0,2,0,0,0,0|0,0,2]=4 262 B9R0.46 CNC(=O)CCOCSC 32815e6ae018d6bf0c0d70259f25dc15 [0,2,0,0,0,0|0,0,2]=4 263 B9R0.46 CNC(=O)CNCCSC 5d20087e449164cd64dc97de1cf3722d [0,2,0,0,0,0|0,0,2]=4 264 B9R0.46 CNC(=O)COCCSC 843ca49f0bc1f19fb66ac222247b788e [0,2,0,0,0,0|0,0,2]=4 265 B9R0.46 COC(=O)/C=C/COCF 14619ecef9c0e27816532aca1dafa54e [0,2,0,0,0,0|1,1,0]=4 266 B9R0.47 CSCNCC(=O)N(C)C e854f740c4eb41bca6c50179e0f02dd2 [0,2,0,0,0,0|0,0,2]=4 267 B9R0.47 CSCOCC(=O)N(C)C 62edd7c85dafe5713097af24db3df4d6 [0,2,0,0,0,0|0,0,2]=4 268 B9R1.7 CCNc1cc(=O)[nH]o1 7c0777fc5b1ddb34d4b644f60c6c25e3 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [0,1,0,1,0,0|1,1,0]=4 270 B9R1.7 CCNc1ccn(n1)C e0b6f5c811a7dd2a879c0d13a5dca6a9 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.7 CCOC1=CC(=O)CC1 48a7469ac82c40a0eca1f40d8071b6ec [0,1,0,1,0,0|1,1,0]=4 272 B9R1.7 CCOC1=CC(=O)NC1 d2d38753aca462f29461e24c45530e80 [0,1,0,1,0,0|0,1,0]=3 273 B9R1.7 CSCN1CNC(=O)C1 8211b253328c1403ea89b1b99e3beec2 [0,1,0,1,0,0|0,0,2]=4 274 B9R1.7 Cc1ccc(s1)NCF 5db800a47823e0633ec93352d97a19cb [0,1,0,1,0,0|1,1,0]=4 275 B9R1.7 Cc1ccc(s1)NCO 00e2af5e98f8ffe71855be0007a81a6f [0,1,0,1,0,0|1,1,0]=4 276 B9R1.7 Cn1ccc(n1)NCF 28b22ed14e3b17d0436fbc5ac12d8c66 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.7 Cn1ccc(n1)NCO c20cd836b761499fbe74f79681d8584c [0,1,0,1,0,0|2,0,0]=4 278 B9R1.7 O=C1C=C(CN1)OCF 897e2dcc27c31ed236d85acbd83e1c4f [0,1,0,1,0,0|0,1,0]=3 279 B9R1.7 O=c1cc(o[nH]1)NCF e2573334fc27c2d15724c72697e93844 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.7 O=c1cc(o[nH]1)NCO bfb71a3a269830533e815dcd9b1760ac [0,1,0,1,0,0|2,0,0]=4 281 B9R1.73 N#CNC(=O)C1=CCC1 340bbad8024858139cf330a582db3bde [0,1,0,1,0,0|1,0,1]=4 282 B9R1.39 CSCN[C@H]1CNC1=O 13ab6649debaba6c049234ac9c541a81 [0,1,0,1,0,0|0,0,2]=4