0 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,1,0,0,0,0|3,0,0]=4 7 B6R0.1 C=CC(=O)NC#N 50ba705a66c9756487ecf5ee06f1b175 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|1,0,1]=3 9 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|1,0,1]=3 12 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,1,0,0,0,0|2,0,0]=3 14 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|1,0,1]=3 17 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,1,0,0,0,0|2,0,1]=4 22 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,1,0,0,0,0|2,0,1]=4 25 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 N#CNC(=O)C=O 1f5e87ac61370d0fee6235b020510a93 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|2,0,1]=4 32 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,0,0,1,0,0|3,0,0]=4 33 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [1,1,0,0,0,0|1,0,1]=4 34 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|1,0,1]=4 35 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,1,0,0,0,0|2,0,0]=4 36 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,2,0,0,0,0|2,0,0]=4 42 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [0,2,0,0,0,0|2,0,0]=4 44 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,2,0,0,0,0|1,0,1]=4 47 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,2,0,0,0,0|0,0,2]=4 48 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,2,0,0,0,0|0,0,2]=4 50 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,2,0,0,0,0|0,0,2]=4 51 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,2,0,0,0,0|0,0,2]=4 52 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,2,0,0,0,0|0,0,2]=4 53 B7R0.3 C#CCNC(=O)C=C 4a9cb7bc45daa667ed206a695acf02ea [0,2,0,0,0,0|0,0,1]=3 54 B7R0.3 C#CCNC(=O)C=O 85689a441d6bd23a63137631fc88af8e [0,2,0,0,0,0|1,0,1]=4 55 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,2,0,0,0,0|0,0,2]=4 56 B7R0.3 C/C(=C\I)/COCF fbb2d4ba845303b213c9d89902813b40 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,2,0,0,0,0|2,0,0]=4 58 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,2,0,0,0,0|2,0,0]=4 60 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,2,0,0,0,0|2,0,0]=4 61 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.3 C=CC(=O)NCC#N 4894e17c551632e256cc35ce056f8de6 [0,2,0,0,0,0|0,0,1]=3 65 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,2,0,0,0,0|0,0,0]=2 66 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,2,0,0,0,0|0,0,0]=2 67 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,2,0,0,0,0|0,0,0]=2 68 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,2,0,0,0,0|0,0,0]=2 69 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,2,0,0,0,0|0,0,0]=2 70 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,2,0,0,0,0|0,0,0]=2 71 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|1,0,1]=4 72 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,2,0,0,0,0|1,0,1]=4 80 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|1,0,1]=4 84 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|1,0,1]=4 85 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,2,0,0,0,0|0,0,2]=4 87 B7R0.3 C=CC(O)CNCF 45fea0cdfc9533f811af25c5a7464b1f [0,2,0,0,0,0|0,0,2]=4 88 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,2,0,0,0,0|0,0,2]=4 89 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,2,0,0,0,0|1,0,1]=4 91 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,2,0,0,0,0|1,0,1]=4 93 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|1,0,1]=4 97 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|1,0,1]=4 100 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|1,0,1]=4 101 B7R0.3 CC(=CI)COCF e6e0a6a2b924cee37e772cc08be340ea [0,2,0,0,0,0|2,0,0]=4 102 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,2,0,0,0,0|0,0,2]=4 103 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,2,0,0,0,0|0,0,2]=4 104 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,2,0,0,0,0|0,0,2]=4 105 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,2,0,0,0,0|0,0,2]=4 107 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,2,0,0,0,0|0,0,2]=4 108 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,2,0,0,0,0|0,0,2]=4 109 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,2,0,0,0,0|0,0,2]=4 110 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,2,0,0,0,0|1,0,0]=3 111 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,2,0,0,0,0|0,0,2]=4 112 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,2,0,0,0,0|1,0,1]=4 114 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [0,2,0,0,0,0|2,0,0]=4 116 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,2,0,0,0,0|1,0,1]=4 119 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,2,0,0,0,0|2,0,0]=4 120 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,2,0,0,0,0|1,0,1]=4 121 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,2,0,0,0,0|0,0,2]=4 124 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,2,0,0,0,0|1,0,1]=4 127 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,2,0,0,0,0|1,0,1]=4 128 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,2,0,0,0,0|1,0,1]=4 129 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,2,0,0,0,0|1,0,1]=4 132 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.3 N#CCNC(=O)C=O c6fce877e18e188e69982d83ed1aa681 [0,2,0,0,0,0|1,0,1]=4 135 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,2,0,0,0,0|2,0,0]=4 142 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,2,0,0,0,0|1,0,1]=4 143 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,2,0,0,0,0|1,0,1]=4 144 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,2,0,0,0,0|1,0,1]=4 145 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,2,0,0,0,0|1,0,1]=4 149 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,2,0,0,0,0|1,0,1]=4 151 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,2,0,0,0,0|1,0,1]=4 152 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,2,0,0,0,0|1,0,0]=3 153 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,2,0,0,0,0|1,0,0]=3 154 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.5 C=C(Br)C(=O)NC#N cb87caa23e8f5ef6b3e41e192639f33d [0,2,0,0,0,0|1,0,1]=4 158 B7R0.5 C=C(C)C(=O)NC#N 53243a1f0527c6db68336c41a3fc1ce2 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.5 C=C(Cl)C(=O)NC#N 597abaf5dee355974b26b29a8bf8be12 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.5 C=C(F)C(=O)NC#N abcb7358ec710b6455c4038389ceee89 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [0,2,0,0,0,0|2,0,0]=4 162 B7R0.5 CC(O)C(=O)NC#N 01e60f22707e7d0fb66c0132404764a4 [0,2,0,0,0,0|1,0,1]=4 163 B7R0.5 CC(S)C(=O)NC#N 2287f22575cb61afc24dc510a74ce003 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.5 C[C@@H](O)C(=O)NC#N 76e3f6ef549e300db1d42264e90cbc8a [0,2,0,0,0,0|1,0,1]=4 165 B7R0.5 C[C@H](O)C(=O)NC#N 014f599d32718a67561cd4fc505950a1 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.7 C/C=C/C(=O)NC#N 0ae61ad14dd91be688708d0097c2e2f5 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.7 C=CCC(=O)NC#N 43d8c69b65a001ff23a39dff1b44df30 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,2,0,0,0,0|2,0,0]=4 172 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,2,0,0,0,0|2,0,0]=4 173 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,2,0,0,0,0|2,0,0]=4 175 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,2,0,0,0,0|2,0,0]=4 176 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,1]=4 178 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.7 COCC(=O)NC#N e1a8b8d591fdb060371b5f9937269544 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.7 CSCC(=O)NC#N b05a488e02281b18583d705ae1321716 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.7 N#CNC(=O)/C=C/Br 8762fc899c8bee976ebc0dd57f5cce6a [0,2,0,0,0,0|1,0,1]=4 183 B7R0.7 N#CNC(=O)/C=C/Cl 802834fc0ba118eddab5b1a27f5fd003 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.7 N#CNC(=O)/C=C/I 697dde87dd6876d5b64d7d68c0fae672 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.7 N#CNC(=O)/C=C\Br 07f65583368a74fc8af478eece2275dc [0,2,0,0,0,0|1,0,1]=4 186 B7R0.7 N#CNC(=O)/C=C\Cl c319a50e3d0acd9b590647ab02bf7fa9 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.7 N#CNC(=O)/C=C\I cd6f8e1d9ead8bb71a602e3301b20668 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.7 N#CNC(=O)C=CBr d5b8da3e80d80ac4f6a859f1d47f4df2 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.7 N#CNC(=O)C=CI 3b520ee0418d0eca4930052ab4dd4891 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.7 N#CNC(=O)CCF 2d38b0a901d33b11182071085ffedd88 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.7 N#CNC(=O)CCO 21159348c5eb316e27f10d66411c699d [0,2,0,0,0,0|1,0,1]=4 192 B7R0.7 N#CNC(=O)CCS 4c8d70dcb6c079601a678239569cd2dc [0,2,0,0,0,0|1,0,1]=4 193 B7R0.10 C#CC(=O)N(C)CC 4f67029623c6e5ee152bff61a129616e [0,2,0,0,0,0|0,0,2]=4 194 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,2,0,0,0,0|0,0,0]=2 195 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,2,0,0,0,0|0,0,2]=4 197 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,2,0,0,0,0|1,0,0]=3 198 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,2,0,0,0,0|1,0,1]=4 200 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.12 C#CC(C=C)OCC 709b537a4e9a5b4501f9d5eca1f1cb34 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.12 C=CC(C=C)OCC 7de0118a4df6b31edc8ac929ff93e6e2 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,2,0,0,0,0|0,0,2]=4 204 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.12 C=CCN(C#N)CC 509273b16884202440fd3995b8d1b166 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,2,0,0,0,0|1,0,1]=4 207 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,2,0,0,0,0|0,0,2]=4 208 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [0,1,0,1,0,0|2,0,0]=4 209 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,1,0,1,0,0|2,0,0]=4