0 B10R1.15 CC(C=O)N1CC=CCC1 dc7aecd4eb11339ba487feb3e68246b1 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CN(C=O)c1cccnn1 bb6c9a4d3ed3a56597c0fa4d221ca30b [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 CN(C=O)c1ccncn1 559e04860b4b657b48b2febe0788a499 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CN(C=O)c1ccnnc1 e2ebf1a31d3d52b6cc6cfffa8c5ad13e [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CN(CF)c1ccccn1 1bdd19ff0d205b3af825ce3149dae35a [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CN(CF)c1ccncc1 ce40ba3bf88af1d1b771c6b7bb26d1be [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 CN(CO)c1ccccn1 a93cc933fdb4d1c91563e07701d40cda [0,0,0,0,0,0|2,0,2]=4 14 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 CN(CO)c1ccncc1 80b84f29ca23cc8379579376d55abff3 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 C[C@H](C=O)N1CC=CCC1 5b0c3fc2a564329e48782d1f432f582e [0,0,0,0,0,0|1,0,3]=4 17 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 O=CNc1ccncc1 e7930a19a74453c18ec50a777f694607 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 O=CNc1ccncn1 2441242a2ef010826c6f20d4fd1c9498 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 O=CNc1cnccn1 ec20f366f13fc090e89d88d03c632299 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.12 CCN(C#N)c1ccccc1 0a33bcc251eace95a09e2548bafab86c [0,1,0,0,0,0|2,0,1]=4 28 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [0,1,0,0,0,0|2,0,0]=3 30 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.12 CCN(C=O)c1cccnn1 bc5719b16cc7ecd03429b0711c320eb4 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.12 CCN(C=O)c1ccncc1 509a741e45cf3609202d1982e0d164de [0,1,0,0,0,0|2,0,0]=3 33 B11R1.12 CCN(C=O)c1ccnnc1 fe3d76655349ae24f92703f860ee65b0 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [0,1,0,0,0,0|3,0,0]=4 35 B11R1.12 CCN(C=O)c1cncnc1 cd46d9bff73ae0e41def8003b3301e1e [0,1,0,0,0,0|3,0,0]=4 36 B11R1.12 CCN(CF)c1ccccc1 64bfdf9f1ec7c91dbb7909bf38760f4f [0,1,0,0,0,0|2,0,1]=4 37 B11R1.12 N#CN(CO)c1ccccc1 a68ba6ef8e1f16dac15967f291cfe801 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.16 C#CCN(C)c1ccccc1 3ca89e194431e8e98a41325339f135b2 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.16 C=CCN(C)c1ccccc1 cb57bdb31a063701918aa00f058638bf [0,1,0,0,0,0|2,0,0]=3 40 B11R1.16 C=CCN(C)c1ccccn1 d1965239475cc8283ac27acb48b569ca [0,1,0,0,0,0|3,0,0]=4 41 B11R1.16 C=CCN(C)c1cccnc1 4d9cbfab931614ef9e9cc7b0df80f0bd [0,1,0,0,0,0|3,0,0]=4 42 B11R1.16 C=CCN(C)c1ccncc1 2a2b78024b7b5bc063fdf9902cf860ae [0,1,0,0,0,0|3,0,0]=4 43 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.16 CC(NC=O)c1ccccn1 2d9ff4713c5fb2a2245e54b6347c7c9e [0,1,0,0,0,0|1,0,0]=2 45 B11R1.16 CC(NC=O)c1cccnc1 8993d9f42ad801a00b7dbd874864f118 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.16 CC(NC=O)c1cccnn1 e98c02505f9913fe12149ffc125dfe0e [0,1,0,0,0,0|2,0,0]=3 47 B11R1.16 CC(NC=O)c1ccncc1 5faf024cdfd5434d1564838bc71dc42c [0,1,0,0,0,0|1,0,0]=2 48 B11R1.16 CC(NC=O)c1ccncn1 336d50d09325a4940426c338375ed18b [0,1,0,0,0,0|2,0,0]=3 49 B11R1.16 CC(NC=O)c1ccnnc1 5e6a6ac74d328923dba5ffb40b405cd9 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.16 CC(NC=O)c1cnccn1 b12aa70178da0d6f388963a11219364c [0,1,0,0,0,0|2,0,0]=3 51 B11R1.16 CC(NC=O)c1ncccn1 94244b9b352c05a9a3dff369242c8d84 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.16 CC(NCF)c1ccccn1 0905269fa9a0af5b89b0863135e0ba86 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.16 CC(NCF)c1ccncc1 52244c9bda4d3b96fb892679ba84673a [0,1,0,0,0,0|2,0,1]=4 55 B11R1.16 CC(NCO)c1ccccn1 92e2d7a3e5eb4a0cf656a3abd8120ca1 [0,1,0,0,0,0|1,0,2]=4 56 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.16 CC(NCO)c1ccncc1 c1d5cc5db08b36fc1a8cd8b573f9e139 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.16 CC(OCF)c1ccncc1 6bf0979779201a0d2383a11ee6cede62 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [0,1,0,0,0,0|2,0,1]=4 63 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [0,1,0,0,0,0|2,0,1]=4 65 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,1,0,0,0,0|2,0,1]=4 66 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [0,1,0,0,0,0|2,0,1]=4 67 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [0,1,0,0,0,0|1,0,1]=3 68 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [0,1,0,0,0,0|2,0,1]=4 69 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [0,1,0,0,0,0|2,0,1]=4 71 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,0|1,0,1]=3 76 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [0,1,0,0,0,0|2,0,1]=4 77 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [0,1,0,0,0,0|2,0,1]=4 79 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [0,1,0,0,0,0|2,0,1]=4 83 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [0,1,0,0,0,0|2,0,1]=4 87 B11R1.16 CN(CC#N)c1ccccc1 e4996d8d05652ac5f69757d7a543c8c3 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.16 CN(CC=O)c1ccccc1 669b7315010cb1229c9893a5bac75e38 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.16 CN(CC=O)c1ccccn1 8eeacaea1098a53010acec6d489e7e31 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.16 CN(CC=O)c1cccnc1 4e735c7da6851d8cd391939506ab7153 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.16 CN(CC=O)c1cccnn1 3c8cc1b68f26a884556a8b4ab20cf968 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.16 CN(CC=O)c1ccncc1 4f1a5e470d242783af0cc78d9b673eed [0,1,0,0,0,0|2,0,0]=3 93 B11R1.16 CN(CC=O)c1ccncn1 df0ee9df72b00ade9118030d8e9791b8 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.16 CN(CC=O)c1ccnnc1 7caca89c4f71fe4d7b9058791f4bd9df [0,1,0,0,0,0|3,0,0]=4 95 B11R1.16 CN(CC=O)c1cnccn1 7c6a09d326b306da2afe6afe92255679 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.16 CN(CC=O)c1cncnc1 28dd26ed9867f825aafe99de39a08eb5 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.16 CN(CC=O)c1ncccn1 3636713a3a5b547a222c18f21207de0f [0,1,0,0,0,0|3,0,0]=4 98 B11R1.16 CN(CCF)c1ccccc1 10541e2e32dac0db7a85ea44620c0e3e [0,1,0,0,0,0|2,0,1]=4 99 B11R1.16 CN(CCO)c1ccccc1 4b734b8d391d02ddf47f0308fb1d22c8 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [0,1,0,0,0,0|1,0,2]=4 101 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [0,1,0,0,0,0|1,1,1]=4 102 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.16 C[C@@H](NC=O)c1ccccn1 cab0a06ffe0df70443a13b7bf3f0f929 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.16 C[C@@H](NC=O)c1cccnc1 ac95236c8efa48d11de85080c1ed1da7 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.16 C[C@@H](NC=O)c1ccncc1 8f84254a89086749004a481ae3d5fd96 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.16 C[C@@H](NCF)c1ccccn1 99b97b5aa9cfaef5c750c0b6f424a155 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,1,0,0,0,0|2,0,1]=4 108 B11R1.16 C[C@@H](NCF)c1ccncc1 7c723b81de2f22629dc13a66a3539cc2 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.16 C[C@@H](NCO)c1ccccn1 06a1df171fb3e867c231d94d30fe4c59 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.16 C[C@@H](NCO)c1ccncc1 7d10d857a4fd7fe5ca5ccba46504091e [0,1,0,0,0,0|1,0,2]=4 112 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.16 C[C@@H](OCF)c1ccncc1 1ab9725f241037c368e977085ea4a520 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [0,1,0,0,0,0|0,0,0]=1 117 B11R1.16 C[C@H](NC=O)c1ccccn1 353a0771be422f9d7abafb8a3ade0569 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.16 C[C@H](NC=O)c1cccnc1 03b40f19b3a9bf3d85026c98e0fcf432 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.16 C[C@H](NC=O)c1ccncc1 a397d98d692b7c5c0acb296625e84080 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.16 C[C@H](NCF)c1ccccn1 3f81f6af69df7aaa916f5a60f5ffdf6c [0,1,0,0,0,0|2,0,1]=4 121 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.16 C[C@H](NCF)c1ccncc1 01b512844ac187d8e5e90b8a3d251ae9 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.16 C[C@H](NCO)c1ccccn1 d98746896574333cf45787ddae8ffaa8 [0,1,0,0,0,0|1,0,2]=4 124 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.16 C[C@H](NCO)c1ccncc1 6f6a1ba3773069295a22e913e615ab17 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [0,1,0,0,0,0|1,0,1]=3 127 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.16 C[C@H](OCF)c1ccncc1 1ba2b2d00b1ff65d044471b9d6a9a89a [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 CN(C=O)c1ccc(cc1)Br 9862ed13c945c79fb65fa51787bd2093 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.22 CN(C=O)c1ccc(cc1)Cl d432c23837319192897a660c45f339ba [0,1,0,0,0,0|1,0,0]=2 135 B11R1.22 CN(C=O)c1ccc(cc1)F f939c668a8e6f39bb7cc93a9ebd979dd [0,1,0,0,0,0|1,0,0]=2 136 B11R1.22 CN(C=O)c1ccc(cc1)I 86b31576c767147a57657625de6a4cf6 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.22 CN(C=O)c1ccc(cc1)O 71050cca6cc6c2a34d54c8525596398a [0,1,0,0,0,0|1,0,0]=2 138 B11R1.22 CN(C=O)c1ccc(cc1)S f07b31b3eaa976c4ece94ae29131a1b8 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.22 CN(C=O)c1ccc(cn1)Br 7f8da10581ce5ca8a37f373d42765e26 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.22 CN(C=O)c1ccc(cn1)Cl eb3549718b5ca2b8a891721b0fccec81 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.22 CN(C=O)c1ccc(cn1)F ccd5b3b4d2abee8b59e402f73866a88d [0,1,0,0,0,0|2,0,0]=3 142 B11R1.22 CN(C=O)c1ccc(cn1)I f3706e1edae5d726765a21baeac8b53e [0,1,0,0,0,0|2,0,0]=3 143 B11R1.22 CN(C=O)c1ccc(nc1)Br 02e6c8c88fc8f9a945078432f838505c [0,1,0,0,0,0|2,0,0]=3 144 B11R1.22 CN(C=O)c1ccc(nc1)Cl bd70684891af49b44bb911ed20ab21a5 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.22 CN(C=O)c1ccc(nc1)F 6e5f29d7bc3545ed6e42f58e9071f45e [0,1,0,0,0,0|2,0,0]=3 146 B11R1.22 CN(C=O)c1ccc(nn1)Br 46696d371ce562702fbcd33902ae74dd [0,1,0,0,0,0|3,0,0]=4 147 B11R1.22 CN(C=O)c1ccc(nn1)Cl 662c70344d9036c6fa19f5da564feae3 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.22 CN(C=O)c1cnc(cn1)Br be4c0e691ae29eb651e2f8d3dae585ca [0,1,0,0,0,0|3,0,0]=4 149 B11R1.22 CN(C=O)c1cnc(cn1)Cl 31d08618a518bfd9ef3bde3a5dbab4fc [0,1,0,0,0,0|3,0,0]=4 150 B11R1.22 CN(CF)c1ccc(cc1)Br 6b91b8da88ddbfb295c2dccdb6cb4076 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.22 CN(CF)c1ccc(cc1)Cl 0c4cb302bade12f5a411b01a9042b3ea [0,1,0,0,0,0|2,0,1]=4 152 B11R1.22 CN(CF)c1ccc(cc1)F 7a7162e57e22a4f5e6a55d2c6d204d3d [0,1,0,0,0,0|2,0,1]=4 153 B11R1.22 CN(CF)c1ccc(cc1)I 6d998585b1c8e8e7964bc459bdd74230 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.22 CN(CF)c1ccc(cc1)S 790104648dfcde077abfb3f2fb190f26 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.22 CN(CO)c1ccc(cc1)Br a0ee612d9ade0f057f40eda0edee63d6 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.22 CN(CO)c1ccc(cc1)Cl 2c0dfaf13b4e02b467d222656644d816 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.22 CN(CO)c1ccc(cc1)F c1ecf99a3d9f55a2562607c88c44d1b8 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.22 CN(CO)c1ccc(cc1)I 148086324dd93cd760089e4e94a122ba [0,1,0,0,0,0|1,0,2]=4 159 B11R1.22 CN(CO)c1ccc(cc1)S 7e6f64a1230a5e349b82adbdac7f2cd1 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [0,1,0,0,0,0|1,0,0]=2 161 B11R1.22 Cc1ccc(cc1)N(C)CF d9ca75efcf22688224e11802328b1cd1 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 Cc1ccc(cc1)N(C)CO 3f90488aa46443ae7ceb46a9828e79d3 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.22 Cc1ccc(cn1)N(C)C=O 17ad1ce648b4690112700dad4971e9cf [0,1,0,0,0,0|2,0,0]=3 164 B11R1.22 Cc1ccc(nc1)N(C)C=O e97e84386efd05e00da987d65e1de257 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.22 Cc1cnc(cn1)N(C)C=O 629909b64e721791a7f7f5c721219694 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [0,1,0,0,0,0|2,0,1]=4 167 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.23 CN(C=O)c1cc(ccn1)Br 5d3454b18877e79ab3d306b7bdc52c75 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.23 CN(C=O)c1cc(ccn1)Cl 9f74106f894b34649db45534debd8ed1 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.23 CN(C=O)c1cc(ccn1)I 34fbeab8aca98dabc7c6b19604a4eba9 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.23 CN(C=O)c1cccc(c1)Br 04e2b42b796ef8d05d5e843c6bfac7b3 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.23 CN(C=O)c1cccc(c1)Cl 6a133c007011cf0443d8614b42cd9db1 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.23 CN(C=O)c1cccc(c1)F d6a1f4912d17ef5b2ef6dd6e9a7cc16c [0,1,0,0,0,0|1,0,0]=2 174 B11R1.23 CN(C=O)c1cccc(c1)I 0412fe6299fa843b927c099de9b2eca3 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.23 CN(C=O)c1cccc(c1)O 61c55a3ac80552d55fb98f08b327401d [0,1,0,0,0,0|1,0,0]=2 176 B11R1.23 CN(C=O)c1cccc(n1)Br 8612b91e415e9cc649fb04c5ea29ab42 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.23 CN(C=O)c1cccc(n1)Cl ca2b664edc0079e08a87049fdad8282a [0,1,0,0,0,0|2,0,0]=3 178 B11R1.23 CN(C=O)c1cccc(n1)F 4cee610795a72fd3ca41904bfd37bd40 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.23 CN(C=O)c1ccnc(c1)Br 91a80df2840651b48e3e6a49028296ef [0,1,0,0,0,0|2,0,0]=3 180 B11R1.23 CN(C=O)c1ccnc(c1)Cl 66533818364b3b9a357710653b7fa487 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.23 CN(C=O)c1ccnc(c1)F 6b488499e9af4e4c49e6e6e6b68ab3e3 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.23 CN(C=O)c1ccnc(n1)Br 956cc8e0af67cbfda0e0f9f6604f2301 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.23 CN(C=O)c1ccnc(n1)Cl 1ef4179aca22401343ff9f8ee3c0b241 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.23 CN(CF)c1cccc(c1)Br 7a123ee73cafbdd957621bfb9faccc3f [0,1,0,0,0,0|2,0,1]=4 185 B11R1.23 CN(CF)c1cccc(c1)Cl 3c5b88557b8c81a0b3c7ed9ad71bde08 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.23 CN(CF)c1cccc(c1)F 222030735d42d27fe394bc21ac4ac2c3 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.23 CN(CF)c1cccc(c1)I a4932831bd90a86126da38899926fb81 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.23 CN(CO)c1cccc(c1)Br 338387980ae1b5bd1aeb8f0f3d8c21d1 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.23 CN(CO)c1cccc(c1)Cl cddd29b5bf9afdf9ebf4b5b2535c5ce6 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.23 CN(CO)c1cccc(c1)F 0413508efd514c5105c44e46cec3cac8 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.23 CN(CO)c1cccc(c1)I 1efe9cbcfb545c4004f668bff7e82fc4 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.23 Cc1cccc(c1)N(C)C=O 8d3d604d6ddb9f04039aac9ce5e10e5e [0,1,0,0,0,0|1,0,0]=2 193 B11R1.23 Cc1cccc(n1)N(C)C=O 6cb388448dc4b9e667ac2839ef3d869c [0,1,0,0,0,0|2,0,0]=3 194 B11R1.23 Cc1ccnc(c1)N(C)C=O 9a844feefad7cbd79d0790089efe483f [0,1,0,0,0,0|2,0,0]=3 195 B11R1.23 Cc1cncc(c1)N(C)C=O 7fd556f41e83e9cebad64414d3df3e54 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.36 CC(=O)N(C)c1ccccn1 3b204f817d8bae885450195e4bca3293 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.36 CC(=O)N(C)c1cccnc1 99d370e4887dccbc66fa5e316a815456 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.36 CC(=O)N(C)c1cccnn1 019bdf2b41b50b3dc4c1fbd9a45824e4 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.36 CC(=O)N(C)c1ccncc1 92a60507d9bf675ae196cc0294354361 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.36 CC(=O)N(C)c1ccncn1 669e7b6d0dcb129279d3d84513356b37 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.36 CC(=O)N(C)c1ccnnc1 7b7b0659475cefeb9f34385b51243dc3 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.36 CC(=O)N(C)c1cnccn1 7d8fc7dfc94af72e401da7941f18789c [0,1,0,0,0,0|3,0,0]=4 203 B11R1.222 CCN(C)c1ccccc1C 9f04b12bb5b89a6592eb728905a01c8b [0,1,0,0,0,0|2,0,1]=4 204 B11R1.222 CCN(C)c1ccccc1F f232548c9b2f85032dbceb393dfbf769 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.222 CN(C=O)c1ccccc1Br 3426899914cb277130ea1a231941052f [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 CN(C=O)c1ccccc1Cl 135f44500c6825a6172cd53bd209f325 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.222 CN(C=O)c1ccccc1F b02bb0760d6e84d207ae27e31e461504 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.222 CN(C=O)c1ccccc1O 4c3e44ceba918ddfd6ff42ad51415b5c [0,1,0,0,0,0|1,0,0]=2 209 B11R1.222 CN(C=O)c1cccnc1Cl b027a9b01c7da1291b970a20c75c2e99 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.222 CN(C=O)c1cccnc1F 8e9cfc1b0e6a6be08d31776d822be16f [0,1,0,0,0,0|2,0,0]=3 211 B11R1.222 CN(C=O)c1ccncc1Br 8cc913ec23aad9d896b4d08982d9caac [0,1,0,0,0,0|2,0,0]=3 212 B11R1.222 CN(C=O)c1ccncc1Cl 9b82e4e8acbda3d0a3daf2c69d5db345 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.222 CN(C=O)c1ccncc1I 840d7cb0d6d3990e32570cdbf1681a0c [0,1,0,0,0,0|2,0,0]=3 214 B11R1.222 CN(C=O)c1cnccc1F 9a049333e1849191907641c6cea15d3a [0,1,0,0,0,0|2,0,0]=3 215 B11R1.222 CN(C=O)c1ncccc1Br db76b93ef1e268b910ac631c67ca1632 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.222 CN(C=O)c1ncccc1Cl 449a83a0cec7f02bd2abd91cedd0a796 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.222 CN(C=O)c1ncccc1F b641ddbedbd63da000d5c508aca4e04b [0,1,0,0,0,0|2,0,0]=3 218 B11R1.222 CN(C=O)c1ncccc1I 71913ea62e33de145ae57bd78731fdb8 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.222 CN(C=O)c1nccnc1Cl 0d08066d4784478757ba6db0d16a0737 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.222 CN(C=O)c1ncncc1Br e91abce14656f0721829d3cb6909f2b8 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.222 CN(C=O)c1ncncc1Cl 96973a733adb84e63aa33abdf10ea3c3 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.222 CN(CF)c1ccccc1F 664f2d950c125d3a1fa31610e43e1d60 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.222 CN(CO)c1ccccc1Cl 93c8a0a05d68ffe0b62289d5206a4d45 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.222 CN(CO)c1ccccc1F 37525b3659f76f6cb84994c550b2f6ca [0,1,0,0,0,0|1,0,2]=4 225 B11R1.222 Cc1ccccc1N(C)C=O 0cbd91f766c6614fd036ecf6c5c52ea2 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.222 Cc1ccccc1N(C)CF 151ec0fcc79157784dd7bc5d5aa488f4 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.222 Cc1ccccc1N(C)CO 360a66e6984b8285375a37f5a2a3ef94 [0,1,0,0,0,0|1,0,2]=4 228 B11R1.222 Cc1cccnc1N(C)C=O 438b938c4b12b8c4e4c902048dbadb00 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.222 Cc1ccncc1N(C)C=O 5e2154d6d670430a5469b9d55e39c87e [0,1,0,0,0,0|2,0,0]=3 230 B11R1.222 Cc1ncccc1N(C)C=O dc35c78fbaab6693ce2763b76bacc250 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.222 Cc1nccnc1N(C)C=O 03976daf01a3a8e9ef35e3b8de40aebc [0,1,0,0,0,0|3,0,0]=4 232 B9R0.46 CC(C=O)OC/C=C/C=O f910a75b39d29451b58b645fb543947e [0,0,1,0,0,0|2,0,1]=4 233 B9R0.46 C[C@H](C=O)OC/C=C/C=O 63619737e028b366f19c909fc0f52b40 [0,0,1,0,0,0|2,0,1]=4 234 B9R1.11 CC(C=O)N1CC=CC1 dc36a6871f10ef44e0bbb528c132c6db [0,0,0,0,1,0|1,0,2]=4 235 B9R1.11 CN(C=O)c1ccon1 948461c4b237b91a83f8b8dd0558ee15 [0,0,0,0,1,0|3,0,0]=4 236 B9R1.11 CN(C=O)c1ccsc1 8f15e9acca9aeb51f07a52c03adb4c19 [0,0,0,0,1,0|2,0,0]=3 237 B9R1.11 CN(C=O)c1cnoc1 e838d5458882aa345427776b1aae6b92 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.11 CN(C=O)c1ncco1 df93436003864182c95235dcf760a9ee [0,0,0,0,1,0|3,0,0]=4 239 B9R1.11 CN(C=O)c1nccs1 c41a5a41dc66ecd9157809060ed84b66 [0,0,0,0,1,0|3,0,0]=4 240 B9R1.11 C[C@H](C=O)N1CC=CC1 b6da6f566181e7393e8aaf295ef93e2e [0,0,0,0,1,0|1,0,2]=4 241 B11R1.40 C#CC(C)Nc1cccnc1 cfbe38280031a5b1bea7126930aebd77 [0,0,0,0,0,1|2,0,1]=4 242 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [0,0,0,0,0,1|2,0,1]=4 243 B11R1.40 C=CC(C)Nc1ccccc1 11c4f91eafeb8b3d7c22c97a0ea92d57 [0,0,0,0,0,1|1,0,0]=2 244 B11R1.40 C=CC(C)Nc1ccccn1 02b1b752c7d8a18090185a0c6f05b98f [0,0,0,0,0,1|2,0,0]=3 245 B11R1.40 C=CC(C)Nc1cccnc1 103a7e1883d7a333825583600980cdee [0,0,0,0,0,1|2,0,0]=3 246 B11R1.40 C=CC(C)Nc1cccnn1 dc6a1aba96fa4e8b75fa66f85b1d807b [0,0,0,0,0,1|3,0,0]=4 247 B11R1.40 C=CC(C)Nc1ccncc1 c4fde850a7b9aca67a9b7913a57f482d [0,0,0,0,0,1|2,0,0]=3 248 B11R1.40 C=CC(C)Nc1ccncn1 d1624298bf85670735621b2485831e1a [0,0,0,0,0,1|3,0,0]=4 249 B11R1.40 C=CC(C)Nc1ccnnc1 a6599ef6d455dd84723af3ffd1bcef4c [0,0,0,0,0,1|3,0,0]=4 250 B11R1.40 C=CC(C)Nc1cnccn1 2ce38d7c68482d190f46e4388093ba1c [0,0,0,0,0,1|3,0,0]=4 251 B11R1.40 C=CC(C)Nc1cncnc1 08bccc2dac4a68d194ead45a06e2fc2e [0,0,0,0,0,1|3,0,0]=4 252 B11R1.40 C=CC(C)Nc1ncccn1 657e7399f93289febc7ec6ab2dd5977a [0,0,0,0,0,1|3,0,0]=4 253 B11R1.40 C=CC(C)Oc1ccccn1 2070ac1050b132c193a90ece39692aa1 [0,0,0,0,0,1|2,0,0]=3 254 B11R1.40 C=CC(C)Oc1cccnc1 d79b86e283fff567ebdcf80f360890ce [0,0,0,0,0,1|2,0,0]=3 255 B11R1.40 C=CC(C)Oc1ccncc1 079ad53e8dd52e53df82424bb261b798 [0,0,0,0,0,1|2,0,0]=3 256 B11R1.40 C=CC(C)Oc1ccnnc1 c92abe33aea7a19d28d3335ff37f9894 [0,0,0,0,0,1|3,0,0]=4 257 B11R1.40 C=CC(C)Oc1cnccn1 08abd798f6ac8d2321e8bf93d641b019 [0,0,0,0,0,1|3,0,0]=4 258 B11R1.40 C=CC(C)Oc1cncnc1 dee2ec2d5307467eaa35b74084e49447 [0,0,0,0,0,1|3,0,0]=4 259 B11R1.40 C=CC(C)Oc1ncccn1 2af6904eef42528d12bdc801f19b631c [0,0,0,0,0,1|3,0,0]=4 260 B11R1.40 CC(C#N)Nc1cccnc1 da7dd839df2b3e32656f7151ae7c86a2 [0,0,0,0,0,1|2,0,1]=4 261 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [0,0,0,0,0,1|0,0,0]=1 262 B11R1.40 CC(C=O)Nc1ccccn1 f6323f482ea726d65853ab7cc1b45bb4 [0,0,0,0,0,1|1,0,0]=2 263 B11R1.40 CC(C=O)Nc1cccnc1 d9c7b2b4935781413d4a985313466b9b [0,0,0,0,0,1|1,0,0]=2 264 B11R1.40 CC(C=O)Nc1cccnn1 f41444e7551c51087a4ae36908695441 [0,0,0,0,0,1|2,0,0]=3 265 B11R1.40 CC(C=O)Nc1ccncc1 9d1dbf134f97c66b59956ef2739d0216 [0,0,0,0,0,1|1,0,0]=2 266 B11R1.40 CC(C=O)Nc1ccncn1 26c2e0863a19d01d9b92ada5ba0fab0d [0,0,0,0,0,1|2,0,0]=3 267 B11R1.40 CC(C=O)Nc1ccnnc1 7135314c77e1e7a01a51892873433fbf [0,0,0,0,0,1|2,0,0]=3 268 B11R1.40 CC(C=O)Nc1cnccn1 ca669a34fd29c06e16c362add7ff1bce [0,0,0,0,0,1|2,0,0]=3 269 B11R1.40 CC(C=O)Nc1cncnc1 dbf6707db9d2a7b2f1e17b219fabb075 [0,0,0,0,0,1|2,0,0]=3 270 B11R1.40 CC(C=O)Nc1cnncn1 7afdab668acf3336437739866a87e244 [0,0,0,0,0,1|3,0,0]=4 271 B11R1.40 CC(C=O)Nc1ncccn1 ff55d7708df6315db61ceb5e53dab0ee [0,0,0,0,0,1|2,0,0]=3 272 B11R1.40 CC(C=O)Nc1nccnn1 ea86f10a8f6cc169e55d9ea0db90cb26 [0,0,0,0,0,1|3,0,0]=4 273 B11R1.40 CC(C=O)Nc1ncncn1 4e0d4c774a2703c738767a6039551b3c [0,0,0,0,0,1|3,0,0]=4 274 B11R1.40 CC(C=O)Oc1ccccn1 6964fdd9e0bc6b530d4dd7a3a2376b4c [0,0,0,0,0,1|1,0,0]=2 275 B11R1.40 CC(C=O)Oc1cccnc1 e37888c7c991d828e39da1a6807dceaa [0,0,0,0,0,1|1,0,0]=2 276 B11R1.40 CC(C=O)Oc1ccncc1 e75558d3547ed47505abf1a4004897c0 [0,0,0,0,0,1|1,0,0]=2 277 B11R1.40 CC(C=O)Oc1ccnnc1 960d99b225fc0dbb7b516ae7293716c1 [0,0,0,0,0,1|2,0,0]=3 278 B11R1.40 CC(C=O)Oc1cnccn1 e77f8a263c09c3973bbf702d318415d9 [0,0,0,0,0,1|2,0,0]=3 279 B11R1.40 CC(C=O)Oc1cncnc1 92b7c4fa798d11354a923083f00d0aa7 [0,0,0,0,0,1|2,0,0]=3 280 B11R1.40 CC(C=O)Oc1cncnn1 39760645ceef2315fc628b34cb9c1d9f [0,0,0,0,0,1|3,0,0]=4 281 B11R1.40 CC(C=O)Oc1ncccn1 d2985a95b32127ee0959eb22ec1b27f7 [0,0,0,0,0,1|2,0,0]=3 282 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [0,0,0,0,0,1|0,0,2]=3 283 B11R1.40 CC(CO)Nc1ccccn1 2e21620844440b7bb083395c24fa5d12 [0,0,0,0,0,1|1,0,2]=4 284 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,0,0,0,0,1|1,0,2]=4 285 B11R1.40 CC(CO)Nc1ccncc1 014df859a1aaecd67e68db71b7c7ef69 [0,0,0,0,0,1|1,0,2]=4 286 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,0,0,0,0,1|1,0,1]=3 287 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [0,0,0,0,0,1|2,0,1]=4 288 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [0,0,0,0,0,1|2,0,1]=4 289 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [0,0,0,0,0,1|2,0,1]=4 290 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [0,0,0,0,0,1|2,0,1]=4 291 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,0,0,0,0,1|2,0,1]=4 292 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [0,0,0,0,0,1|2,0,1]=4 293 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,0,0,0,0,1|2,0,1]=4 294 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,0,0,0,0,1|1,0,1]=3 295 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [0,0,0,0,0,1|2,0,1]=4 296 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,0,0,0,0,1|1,0,1]=3 297 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [0,0,0,0,0,1|2,0,1]=4 298 B11R1.40 CN(C=O)Cc1ccccc1 701ed8237afa851586621908f176512f [0,0,0,0,0,1|1,0,0]=2 299 B11R1.40 CN(C=O)Cc1ccccn1 e1588a36a59add4eaf224b7ea271ab51 [0,0,0,0,0,1|2,0,0]=3 300 B11R1.40 CN(C=O)Cc1cccnc1 ffa035f03a82f49c9d004e6e7105924f [0,0,0,0,0,1|2,0,0]=3 301 B11R1.40 CN(C=O)Cc1ccncc1 a539f04945f92d40e9c197fd41216c1b [0,0,0,0,0,1|2,0,0]=3 302 B11R1.40 CN(C=O)Cc1ccnnc1 6aa9c7337d8579b656d7d9ee8da74d21 [0,0,0,0,0,1|3,0,0]=4 303 B11R1.40 CN(C=O)Cc1cnccn1 b9f2001685a2ed99942d5f26418f6b7e [0,0,0,0,0,1|3,0,0]=4 304 B11R1.40 CN(C=O)Cc1cncnc1 cefad9e7e848a34b6a841a561710dec7 [0,0,0,0,0,1|3,0,0]=4 305 B11R1.40 CN(C=O)Cc1ncccn1 a13744ee7ca7019a2d0a147b73274bbb [0,0,0,0,0,1|3,0,0]=4 306 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [0,0,0,0,0,1|2,0,1]=4 307 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [0,0,0,0,0,1|1,0,2]=4 308 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [0,0,0,0,0,1|0,0,2]=3 309 B11R1.40 C[C@@H](CO)Nc1ccccn1 9ac7427612f5553e5180ee81712e35fd [0,0,0,0,0,1|1,0,2]=4 310 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,0,0,0,0,1|1,0,2]=4 311 B11R1.40 C[C@@H](CO)Nc1ccncc1 495de922b28b07b689b24b08a715b1b6 [0,0,0,0,0,1|1,0,2]=4 312 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [0,0,0,0,0,1|0,0,0]=1 313 B11R1.40 C[C@H](C=O)Nc1ccccn1 46e94b05d4e4c715a9e5400c929646b9 [0,0,0,0,0,1|1,0,0]=2 314 B11R1.40 C[C@H](C=O)Nc1cccnc1 fedeaeec69f602e704c38cd1adea1d8e [0,0,0,0,0,1|1,0,0]=2 315 B11R1.40 C[C@H](C=O)Nc1cccnn1 d5dc60d8cb88bbcccc9cff59b5cb66c4 [0,0,0,0,0,1|2,0,0]=3 316 B11R1.40 C[C@H](C=O)Nc1ccncc1 2f11c12f5ae2a4a34554194fcc005f15 [0,0,0,0,0,1|1,0,0]=2 317 B11R1.40 C[C@H](C=O)Nc1ccncn1 df0a1608ea15230c152c7cca4f253959 [0,0,0,0,0,1|2,0,0]=3 318 B11R1.40 C[C@H](C=O)Nc1ccnnc1 63246a98e993a20f559f25157e6aa6df [0,0,0,0,0,1|2,0,0]=3 319 B11R1.40 C[C@H](C=O)Nc1cnccn1 4c60062904b679381801663797286554 [0,0,0,0,0,1|2,0,0]=3 320 B11R1.40 C[C@H](C=O)Nc1cncnc1 bc55ecbf47eebf35db495bd6302ccf88 [0,0,0,0,0,1|2,0,0]=3 321 B11R1.40 C[C@H](C=O)Nc1cnncn1 92e53eadf6f207651d0f5373f51e5585 [0,0,0,0,0,1|3,0,0]=4 322 B11R1.40 C[C@H](C=O)Nc1ncccn1 3b4862472080d4ec4f1296ac7ca19f40 [0,0,0,0,0,1|2,0,0]=3 323 B11R1.40 C[C@H](C=O)Nc1nccnn1 8a6eac8913d6fda604ced570390d32e6 [0,0,0,0,0,1|3,0,0]=4 324 B11R1.40 C[C@H](C=O)Nc1ncncn1 ec46ce71efc522311e4b830b9ff62ad9 [0,0,0,0,0,1|3,0,0]=4 325 B11R1.40 C[C@H](C=O)Oc1ccccn1 0be2b7848388ea049450b4a9fa6678e7 [0,0,0,0,0,1|1,0,0]=2 326 B11R1.40 C[C@H](C=O)Oc1cccnc1 55db0365e7488258d11fe983dbcaf255 [0,0,0,0,0,1|1,0,0]=2 327 B11R1.40 C[C@H](C=O)Oc1ccncc1 0569f754c55d1898e8e0bee53c4f5433 [0,0,0,0,0,1|1,0,0]=2 328 B11R1.40 C[C@H](C=O)Oc1ccnnc1 d7a4fb9bbc6f8e4add0462267acb3f34 [0,0,0,0,0,1|2,0,0]=3 329 B11R1.40 C[C@H](C=O)Oc1cnccn1 b9a474b6d34bbaaa48c5d556feded984 [0,0,0,0,0,1|2,0,0]=3 330 B11R1.40 C[C@H](C=O)Oc1cncnc1 62af53ecbbc06f256097a3ea5ee960ae [0,0,0,0,0,1|2,0,0]=3 331 B11R1.40 C[C@H](C=O)Oc1cncnn1 3fd0cefa5b71b50944d8a10821dc4903 [0,0,0,0,0,1|3,0,0]=4 332 B11R1.40 C[C@H](C=O)Oc1ncccn1 887a50920904afb2227cebb77d3e16b3 [0,0,0,0,0,1|2,0,0]=3 333 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [0,0,0,0,0,1|0,0,2]=3 334 B11R1.40 C[C@H](CO)Nc1ccccn1 01d2d5e2403842048f8ac810f41680f1 [0,0,0,0,0,1|1,0,2]=4 335 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,0,0,0,0,1|1,0,2]=4 336 B11R1.40 C[C@H](CO)Nc1ccncc1 12aec410035ef0ee1b8933a8e56e1a8b [0,0,0,0,0,1|1,0,2]=4 337 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [0,0,0,0,0,1|1,0,1]=3 338 B11R1.40 O=CC(=O)Nc1ccccn1 9dee939f22a8949e3604743fdb4606fc [0,0,0,0,0,1|2,0,1]=4 339 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,0,0,0,0,1|2,0,1]=4 340 B11R1.40 O=CC(=O)Nc1ccncc1 4b5bab6fe314b5f2251f228c60250dcd [0,0,0,0,0,1|2,0,1]=4 341 B10R0.73 C=CCN(CC=C)C(C)C=O d3d29b87a96d9d9dcd410f815f7f229e [0,1,1,0,0,0|1,0,1]=4 342 B10R0.73 C=CCN(CC=C)[C@H](C)C=O de5f367a51e889c54cd1c6297653baba [0,1,1,0,0,0|1,0,1]=4 343 B10R0.18 C=C/C=C/C(=O)NC(C)C=C 2b774a26d192df3def1864dcda1c4cdb [0,1,1,0,0,0|2,0,0]=4 344 B10R0.18 C=C/C=C\C(=O)NC(C)C=C 16a1aa064c3ce912665e4be1969ac464 [0,1,1,0,0,0|2,0,0]=4 345 B10R0.18 C=CC=CC(=O)NC(C)C=C 3bfa8b33f893636da41b0c7996777868 [0,1,1,0,0,0|2,0,0]=4 346 B10R0.74 C/C=C/C=C/COC(C)C=O cb95cbebab1378a8bb6b3588d4f762c9 [0,1,1,0,0,0|0,0,2]=4 347 B10R0.74 C/C=C/C=C/CO[C@H](C)C=O e6b8ba3806490e3dade392a086617d34 [0,1,1,0,0,0|0,0,2]=4 348 B10R0.74 C=C/C=C/CCNC(C)C=O 112882f4613d513d18bd18a3e89ef321 [0,1,1,0,0,0|0,0,2]=4 349 B10R0.74 C=C/C=C/CCN[C@H](C)C=O c60b91710b6feb60457c5d3704a52b08 [0,1,1,0,0,0|0,0,2]=4 350 B10R0.74 CC=CC=CCOC(C)C=O 33c846893ff1c21e5665d9fd389b4838 [0,1,1,0,0,0|0,0,2]=4 351 B10R0.74 CC=CC=CCO[C@H](C)C=O 05c3762cae3825dcd182b5ace734857b [0,1,1,0,0,0|0,0,2]=4 352 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [1,1,0,0,0,0|2,0,0]=4 354 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.1 O=CNc1ccc(cc1)Br d7ce2fc8367b9f0ab0f2e59514baf831 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 O=CNc1ccc(cc1)Cl 6958240b257559c57e66b733208a1fd9 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.1 O=CNc1ccc(cc1)F bd58d24daf145acc5a6089d95f60a456 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.1 O=CNc1ccc(cc1)I 477097145ec69bf5f94c911c47fa12c8 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.1 O=CNc1ccc(cc1)S 4a89cce61b79984a4f73e03ba9acee66 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.1 O=CNc1ccc(cn1)Cl d3d35b3132865a697b3ce3a5e150069b [1,1,0,0,0,0|2,0,0]=4 361 B10R1.1 O=CNc1ccc(cn1)F 810dde12c9284662b8355faf968b2a7a [1,1,0,0,0,0|2,0,0]=4 362 B10R1.1 O=CNc1ccc(cn1)I 4eaa73ecd6461fe1e6744e3306f8ab5f [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 O=CNc1ccc(nc1)Br 7f0fdfd14a461c68caddf7a3c7637111 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 O=CNc1ccc(nc1)Cl d34b7188e9c6fc7bd4c519ab891fd1ef [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 O=CNc1ccc(nc1)F bc035562c1b2f653b687ca5d53853c33 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 O=CNc1ccc(nc1)I 7e72d8482a5c98b4a6b518f418650f35 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.4 Cc1ccccc1NC=O 93463d97863750f67f3c00d910f09802 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.4 Cc1cccnc1NC=O eddc5748a2e62b33a5566ebe9e562102 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.4 Cc1ccncc1NC=O 480a397461cc81757979891789a47566 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.4 Cc1cnccc1NC=O 097b7c8f6102fdb97f5ed9ba0f37156f [1,1,0,0,0,0|2,0,0]=4 371 B10R1.4 Cc1ncccc1NC=O 7a06f216539d990da9cb44ab6e9b0c87 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.4 O=CNc1cccc[n+]1[O-] 965e0abbb142b0680abb5ad3f95c2305 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.4 O=CNc1ccccc1Cl f50c00cfcaa880ebbb89407e81f8f8d5 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.4 O=CNc1ccccc1F f3282ec2c1421e860906e44973b8a687 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.4 O=CNc1ccccc1I 892dff9976fcab110017d24c58532fbf [1,1,0,0,0,0|1,0,0]=3 376 B10R1.4 O=CNc1ccccc1O a5803dbb8fd09b48d1dac5606f2634e9 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.4 O=CNc1ccccc1S adbd377728039742a9715a2c254499e8 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.4 O=CNc1cccnc1Br 067ed8cd00ae2be37ffcd23d4b813102 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.4 O=CNc1cccnc1Cl 65ed286318dffde1ac22a69c8035c069 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.4 O=CNc1cccnc1F 3f6098c3ee28b0b9240bc4385fc649ef [1,1,0,0,0,0|2,0,0]=4 381 B10R1.4 O=CNc1cccnc1I 554eb10301b8ea5a0631a3d0de1821bb [1,1,0,0,0,0|2,0,0]=4 382 B10R1.4 O=CNc1cccnc1O 2b8662d82921d406bd957c952a352054 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.4 O=CNc1ccncc1Cl 734a66ac7d7f2aa4f2065324b96fe67c [1,1,0,0,0,0|2,0,0]=4 384 B10R1.4 O=CNc1ccncc1F 54f9fb25ed013771f5dfd7f4f63bbf45 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.4 O=CNc1ccncc1I d42bc74a08da7c0623dd1f31e79a9861 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.4 O=CNc1cnccc1Br 175a2e259bf91212e04dc2028b743367 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.4 O=CNc1cnccc1F 93504e3990a6d40804e0070c51f15814 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.4 O=CNc1cnccc1I 69e2f5597c7a113298b91de3b2400640 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.4 O=CNc1cnccc1S e87b0427f473ebba57abc19e02e63ca1 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.4 O=CNc1ncccc1Br 2bfca1acb095df8692524bc64723ba9b [1,1,0,0,0,0|2,0,0]=4 391 B10R1.4 O=CNc1ncccc1Cl 8545ddb1e36e607a772e90cc20b597eb [1,1,0,0,0,0|2,0,0]=4 392 B10R1.4 O=CNc1ncccc1F 2d934af61c68c8c71a4c9194d198930c [1,1,0,0,0,0|2,0,0]=4 393 B10R1.4 O=CNc1ncccc1I cae19cd679f2cd830ea4d1d7d347da28 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.4 O=CNc1ncccc1O 1fdc1f2b7f57339d12939de7ab16180b [1,1,0,0,0,0|2,0,0]=4 395 B10R1.10 Cc1cc(ccn1)NC=O a1b570429a4635d83924ed4666c430bc [1,1,0,0,0,0|2,0,0]=4 396 B10R1.10 Cc1cccc(c1)NC=O 05038cbe055575047c41b1e8757f2545 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.10 Cc1cccc(n1)NC=O ed2cb43abfa9e18c06399d497b7d9003 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.10 Cc1ccnc(c1)NC=O eb3abfd32da8586a758691536bf07486 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.10 Cc1cncc(c1)NC=O 95a870ee7a047f48cb87dd1c0e78a9ee [1,1,0,0,0,0|2,0,0]=4 400 B10R1.10 O=CNc1cc(ccn1)Cl 6b6c85f18ba607a083fcc35e13622e19 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.10 O=CNc1cc(ccn1)F 22e5ac79b9d0cc27ef6263b1646d5601 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.10 O=CNc1cc(ccn1)O f7c20b6003f2bd2dd1237de57a7e5881 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.10 O=CNc1cccc(c1)Br 5eb9518e9956f7a348d0a646a73a1e32 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.10 O=CNc1cccc(c1)Cl 7fe4ac55882b67bb145106257f99a127 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.10 O=CNc1cccc(c1)F 078b99782fd4caa299ab4bc2089ca8ec [1,1,0,0,0,0|1,0,0]=3 406 B10R1.10 O=CNc1cccc(c1)I 0ca8a7d6d3dcba43e51377ba593dcc41 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.10 O=CNc1cccc(c1)O b7034720bcdfb6e36ba15c0a5abf2a37 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.10 O=CNc1cccc(c1)S 605dde1db165209334662244eb37bfa5 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.10 O=CNc1cccc(n1)Br d0a5a21929b617be7b84c1c911470bf6 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.10 O=CNc1cccc(n1)Cl ac0e9eb68a34eabe5b0113dfee26506e [1,1,0,0,0,0|2,0,0]=4 411 B10R1.10 O=CNc1cccc(n1)F 7f6b4bf345efc87d793d80dd4ecfe368 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.10 O=CNc1cccc(n1)I b8d564702983298e228006f730a723d0 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 O=CNc1ccnc(c1)Br 7d8391d7349e0baba7101dcad63499bd [1,1,0,0,0,0|2,0,0]=4 414 B10R1.10 O=CNc1ccnc(c1)Cl d8d3b27a1d645fa8f7ac255717dc5e9d [1,1,0,0,0,0|2,0,0]=4 415 B10R1.10 O=CNc1ccnc(c1)F 6e3376358f7c018fac14dfa72e615522 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.10 O=CNc1ccnc(c1)I 1c4dda9c715dd9fe3b927608e58e2909 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.10 O=CNc1ccnc(c1)O fac658cfc4c685e81e63118107e23109 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.10 O=CNc1cncc(c1)Cl 6d418a989dcc249129d9ecf8231bde00 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.10 O=CNc1cncc(c1)F c1b15bdb8b54842fb529d27afe0a8448 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.10 O=CNc1cncc(c1)I ffdc4eb6863604810b48b838ef206cc9 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.10 O=CNc1cncc(c1)O 626df693a598a70ed1c051a8db581956 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.17 C=CCNc1ccccn1 a09a0780182f6d8fa8752ca3713a2f3e [1,1,0,0,0,0|2,0,0]=4 426 B10R1.17 C=CCNc1cccnc1 91b240dd75d71a218918690927e5881a [1,1,0,0,0,0|2,0,0]=4 427 B10R1.17 C=CCNc1ccncc1 fc2828cd8f2e538daa95abd157d2f583 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.17 C=CCOc1ccccn1 eb9f74f9d52407e143455993efad096c [1,1,0,0,0,0|2,0,0]=4 429 B10R1.17 C=CCOc1cccnc1 7fb30f1efe498d0d31dd0f3d48945875 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.17 C=CCOc1ccncc1 c45ea9f8d1069d36df9c7358e1f29e58 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,1,0,0,0,0|1,0,1]=4 434 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [1,1,0,0,0,0|2,0,0]=4 436 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [1,1,0,0,0,0|1,0,1]=4 438 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,1,0,0,0,0|1,0,1]=4 439 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [1,1,0,0,0,0|1,0,1]=4 441 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [1,1,0,0,0,0|0,0,0]=2 443 B10R1.17 O=CCNc1ccccn1 b00390cf782e1a66064d84fbb4455a3c [1,1,0,0,0,0|1,0,0]=3 444 B10R1.17 O=CCNc1cccnc1 e9d89fc8f59db8f4ca1573408ae38233 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.17 O=CCNc1cccnn1 b77e216bcd16205b619775ccaec2a915 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.17 O=CCNc1ccncc1 b936de0afb8269a2a61f35e281fea4e9 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.17 O=CCNc1ccncn1 ad050d76e28a8f149081a0a787160952 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.17 O=CCNc1ccnnc1 0682a0f697b40c94c475aacd5325761f [1,1,0,0,0,0|2,0,0]=4 449 B10R1.17 O=CCNc1cnccn1 1f2d05c8c2da92e2355104fcbbea848e [1,1,0,0,0,0|2,0,0]=4 450 B10R1.17 O=CCNc1cncnc1 7936eded385f52228b568dc0cba11235 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.17 O=CCNc1ncccn1 6d36478dc88bf2e8e6c88235bd7271f3 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.17 O=CCOc1ccccn1 78f53edacda55ffdc5004f3168d63b47 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.17 O=CCOc1cccnc1 1d2e939a386c96cb8d89a6882c0c8d7c [1,1,0,0,0,0|1,0,0]=3 454 B10R1.17 O=CCOc1ccncc1 1ccec03aa34336841de9232973adaefb [1,1,0,0,0,0|1,0,0]=3 455 B10R1.17 O=CCOc1ccnnc1 57f08acb8fbf4f4c8b7c0a4f26235752 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.17 O=CCOc1cnccn1 ecda20f1b67333503933c739d5d7b88b [1,1,0,0,0,0|2,0,0]=4 457 B10R1.17 O=CCOc1cncnc1 9d2898239ffbc64472b6faadf9b0b97c [1,1,0,0,0,0|2,0,0]=4 458 B10R1.17 O=CCOc1ncccn1 dd95d94e1e128d72aa4c775327aa56bd [1,1,0,0,0,0|2,0,0]=4 459 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [1,1,0,0,0,0|0,0,0]=2 460 B10R1.17 O=CNCc1ccccn1 2a4bd7c465ac0ab8804867d1eeb7fd18 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.17 O=CNCc1cccnc1 86ebf2990a9293a0c4bc35942f9e4571 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.17 O=CNCc1cccnn1 c5e83bdac2e2f539bc82d2501f5689bd [1,1,0,0,0,0|2,0,0]=4 463 B10R1.17 O=CNCc1ccncc1 1f2ebcdeb77286cfab7ddcdf6ac042b2 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.17 O=CNCc1ccncn1 9cc8575563436bdab6bb5758cdf1aa10 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.17 O=CNCc1ccnnc1 4023c62749855f1e846f9fbf9789417e [1,1,0,0,0,0|2,0,0]=4 466 B10R1.17 O=CNCc1cnccn1 2bd46c5e573c56891fa964a095c4e2d7 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.17 O=CNCc1cncnc1 3666ed94d9433e085fe377d1a30954f4 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.17 O=CNCc1ncccn1 7d1c42dda8acac697d69ce2b0a3b68b6 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,1,0,0,0,0|0,0,2]=4 470 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [1,1,0,0,0,0|0,1,1]=4 472 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [1,1,0,0,0,0|2,0,0]=4 475 B10R1.11 CC(NC=O)c1ccco1 ddbe85663f32152ae7a905d80f70dce5 [0,1,0,0,1,0|1,0,0]=3 476 B10R1.11 CC(NC=O)c1cccs1 e140bba64e4c2e9bddbde06232ed8a5f [0,1,0,0,1,0|1,0,0]=3 477 B10R1.11 CC(NC=O)c1ccoc1 2811134c8227cdf5b9691866dcf66d36 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.11 CC(NC=O)c1ccon1 24e1a91d80a386e7854e29d22ad6ca99 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.11 CC(NC=O)c1ccsc1 576b20a63c79111b9a1c29ce06b60d3e [0,1,0,0,1,0|1,0,0]=3 480 B10R1.11 CC(NC=O)c1cncs1 9230c15b6f2b2891301c04b9c217f879 [0,1,0,0,1,0|2,0,0]=4 481 B10R1.11 CC(NC=O)c1cscn1 5462f345d5d44b1fd6712d129e61c3c0 [0,1,0,0,1,0|2,0,0]=4 482 B10R1.11 CC(NC=O)c1ncco1 8048fbe8a07781fd7bf6043c57ee8b10 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.11 CC(NC=O)c1nccs1 541a9450fe3fad09b4e159d90cc05a59 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.11 CN(CC=O)c1ccsc1 7ac56bbd800ddd41f78d0c86cd85de15 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.11 C[C@@H](NC=O)c1ccco1 dabf68fc67919a7d4d3c16b33f054bdc [0,1,0,0,1,0|1,0,0]=3 486 B10R1.11 C[C@@H](NC=O)c1cccs1 f70bf3c872f03105dbd63b63dbb8840f [0,1,0,0,1,0|1,0,0]=3 487 B10R1.11 C[C@H](NC=O)c1cccs1 4bb0ea6a6a82193677c759d4799a10ee [0,1,0,0,1,0|1,0,0]=3 488 B10R1.11 C[C@H](NC=O)c1ccoc1 10eaf71b137e99872e8c899c92e2b876 [0,1,0,0,1,0|1,0,0]=3 489 B10R1.11 C[C@H](NC=O)c1ccsc1 8c6ffbbb48fa2c122b2d7f02d8e09738 [0,1,0,0,1,0|1,0,0]=3 490 B10R1.11 C[C@H](NC=O)c1cncs1 a0ad84a204536af4e51c91a82f20b98f [0,1,0,0,1,0|2,0,0]=4 491 B10R1.11 C[C@H](NC=O)c1nccs1 22346718a3f9347e57fdc1e347f48e6e [0,1,0,0,1,0|2,0,0]=4 492 B10R1.23 CC(=O)N(C)c1ccsc1 2e4d378e837397cdd496156e883e8944 [0,1,0,0,1,0|2,0,0]=4 493 B12R1.32 C=CCN(C)Cc1ccccc1 f858c6ed41b995ef747d3394b7bc7ac3 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.32 CC(CC#N)Nc1ccccc1 9d497ef86eee6b3cf19732b73151dfc5 [0,1,0,0,0,1|1,0,1]=4 495 B12R1.32 CC(CCO)Nc1ccccc1 9bf70c52b6fbdda0acbad0fbf8bda5d0 [0,1,0,0,0,1|0,0,2]=4 496 B12R1.32 CC(Cc1ccccn1)NC=O a741ecaffa437be6e161ee51f0aaadec [0,1,0,0,0,1|1,0,0]=3 497 B12R1.32 CC(Cc1cccnc1)NC=O e18776756d7d00508626c4e693f182de [0,1,0,0,0,1|1,0,0]=3 498 B12R1.32 CC(Cc1ccncc1)NC=O 59e23cb398e665def29f344e98cae0bc [0,1,0,0,0,1|1,0,0]=3 499 B12R1.32 CC(Cc1cnccn1)NC=O dcd5f2baed34d8ef11366ea1e9d2d9eb [0,1,0,0,0,1|2,0,0]=4 500 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [0,1,0,0,0,1|1,0,1]=4 501 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [0,1,0,0,0,1|1,0,1]=4 502 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,1,0,0,0,1|1,0,1]=4 503 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,1,0,0,0,1|1,0,1]=4 504 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,1,0,0,0,1|1,0,1]=4 505 B12R1.32 CN(CC=O)Cc1ccccc1 7580b9a13b83ef7e7f2ffe8dfb9a649a [0,1,0,0,0,1|1,0,0]=3 506 B12R1.32 CN(CC=O)Cc1ccccn1 3cb19ec3f58df3186949ce7fc1c48ebf [0,1,0,0,0,1|2,0,0]=4 507 B12R1.32 CN(CC=O)Cc1cccnc1 97dd855d07a3a070d0c9cf1a88947407 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.32 CN(CC=O)Cc1ccncc1 610e9467a5d8dd4632e8f754d6b2dd61 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [0,1,0,0,0,1|0,0,2]=4 510 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [0,1,0,0,0,1|0,0,2]=4 511 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [0,1,0,0,0,1|0,0,2]=4 512 B12R1.32 C[C@@H](CCO)Nc1ccccc1 fc83b26b05d5bb1e6a4de978429a6aa3 [0,1,0,0,0,1|0,0,2]=4 513 B12R1.32 C[C@H](CCO)Nc1ccccc1 83604672ebfdf7df8b733c8cb4f2aa8a [0,1,0,0,0,1|0,0,2]=4 514 B12R1.32 O=CCC(=O)Nc1ccccc1 82edb9a4ff8811bb5cbe33bf24448e1c [0,1,0,0,0,1|1,0,1]=4 515 B12R1.34 C=CC(C)N(C)c1ccccc1 867a73c44cbcf2d99abc1ebb4318c0f8 [0,1,0,0,0,1|1,0,0]=3 516 B12R1.34 C=CC(C)N(C)c1ccccn1 6d4f7f91d5f351fe174016c7d754c1da [0,1,0,0,0,1|2,0,0]=4 517 B12R1.34 C=CC(C)N(C)c1cccnc1 52fd66aacdd7f6bd420808c7c311eabd [0,1,0,0,0,1|2,0,0]=4 518 B12R1.34 C=CC(C)N(C)c1ccncc1 2b53e0325a2a292b2a9ba46c46f8b2e4 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.34 CC(C=O)N(C)c1ccccc1 f5d6d04ee745621ff9b8dd29884dcf19 [0,1,0,0,0,1|0,0,0]=2 520 B12R1.34 CC(C=O)N(C)c1ccccn1 94915b6492b4e76dca45cd811d5eb49b [0,1,0,0,0,1|1,0,0]=3 521 B12R1.34 CC(C=O)N(C)c1cccnc1 8f97a9535f3d550a528ccaaac34200ab [0,1,0,0,0,1|1,0,0]=3 522 B12R1.34 CC(C=O)N(C)c1cccnn1 c51b99f8f15a733c5dce04cc5bb9806a [0,1,0,0,0,1|2,0,0]=4 523 B12R1.34 CC(C=O)N(C)c1ccncc1 133657ef4b909b91b559cf169a247789 [0,1,0,0,0,1|1,0,0]=3 524 B12R1.34 CC(C=O)N(C)c1ccncn1 c268435eaa960edf6a7ffe8231d860ef [0,1,0,0,0,1|2,0,0]=4 525 B12R1.34 CC(C=O)N(C)c1ccnnc1 99606231ffe93807977f07b950f9ecee [0,1,0,0,0,1|2,0,0]=4 526 B12R1.34 CC(C=O)N(C)c1cnccn1 0e2a1fce060dd35d2b096c451ae75c75 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.34 CC(C=O)N(C)c1cncnc1 79553db8d98595b36511655c5e0e4fdb [0,1,0,0,0,1|2,0,0]=4 528 B12R1.34 CC(C=O)N(C)c1ncccn1 55a19f0632bf64e35c7e54a32efc3ac2 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.34 CC(CO)N(C)c1ccccc1 a7ee7abf471efad76d65ff005aacf1dd [0,1,0,0,0,1|0,0,2]=4 530 B12R1.34 CC(c1ccccc1)N(C)C=O e079bef7522e1ef5cc00bc8636c131a1 [0,1,0,0,0,1|1,0,0]=3 531 B12R1.34 CC(c1ccccn1)N(C)C=O 4eb4bc1866f07e76246e9aecbb839680 [0,1,0,0,0,1|2,0,0]=4 532 B12R1.34 CC(c1cccnc1)N(C)C=O eadc4fc932bb9b230f442460a264564b [0,1,0,0,0,1|2,0,0]=4 533 B12R1.34 CC(c1ccncc1)N(C)C=O a23f5abb31904f72ee135b8a73655823 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.34 CN(C(=O)C=O)c1ccccc1 1d97c61cccaaa710ce75e3fe903e984c [0,1,0,0,0,1|1,0,1]=4 535 B12R1.34 C[C@@H](CO)N(C)c1ccccc1 96b24e6691fa0d3459c276c6ca2c2615 [0,1,0,0,0,1|0,0,2]=4 536 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O 43f258a4426e518211b56116828aebcd [0,1,0,0,0,1|1,0,0]=3 537 B12R1.34 C[C@@H](c1ccncc1)N(C)C=O c60366082ebfcf229e68339df119142d [0,1,0,0,0,1|2,0,0]=4 538 B12R1.34 C[C@H](C=O)N(C)c1ccccc1 18aecb36d80866d7598cb9bc61f9cefb [0,1,0,0,0,1|0,0,0]=2 539 B12R1.34 C[C@H](C=O)N(C)c1ccccn1 bc7070375f1cf74303a3ad8f39ae1734 [0,1,0,0,0,1|1,0,0]=3 540 B12R1.34 C[C@H](C=O)N(C)c1cccnc1 73d8ce1afe6a737c5dbd75d19aaccd90 [0,1,0,0,0,1|1,0,0]=3 541 B12R1.34 C[C@H](C=O)N(C)c1cccnn1 cc85ac4da875d1ca6d991eab53a73cbe [0,1,0,0,0,1|2,0,0]=4 542 B12R1.34 C[C@H](C=O)N(C)c1ccncc1 dca0868f75177deb51d10ec4a284fcae [0,1,0,0,0,1|1,0,0]=3 543 B12R1.34 C[C@H](C=O)N(C)c1ccncn1 8dd0498a4cb877fdd01d2ba0e951d18c [0,1,0,0,0,1|2,0,0]=4 544 B12R1.34 C[C@H](C=O)N(C)c1ccnnc1 ef9347106008f0f60ab7741c97c7cf71 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.34 C[C@H](C=O)N(C)c1cnccn1 f2499651acdfe98fc8c71da863f6f085 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.34 C[C@H](C=O)N(C)c1cncnc1 36cb42d0d235e7116cc2bd3fe7451dcb [0,1,0,0,0,1|2,0,0]=4 547 B12R1.34 C[C@H](C=O)N(C)c1ncccn1 f90d4b4fb2ad065a9ef750365bd4cef2 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.34 C[C@H](CO)N(C)c1ccccc1 a37c707a1c025793f08fdf6588fbc88b [0,1,0,0,0,1|0,0,2]=4 549 B12R1.34 C[C@H](c1ccccc1)N(C)C=O aead6dfaf118bd90be7abe9a0f430aad [0,1,0,0,0,1|1,0,0]=3 550 B12R1.43 CC(=O)C(C)Nc1ccccc1 a5a89e613210df479342158a0b1bf72b [0,1,0,0,0,1|0,0,0]=2 551 B12R1.43 CC(=O)C(C)Nc1ccccn1 6d5887e0d8b1250c5c284bdd7ecb6e6c [0,1,0,0,0,1|1,0,0]=3 552 B12R1.43 CC(=O)C(C)Nc1cccnc1 3d27b1337cf87a2e303ecaa21680f482 [0,1,0,0,0,1|1,0,0]=3 553 B12R1.43 CC(=O)C(C)Nc1cccnn1 c22cabb7fbe308faaa2b1075cd71441a [0,1,0,0,0,1|2,0,0]=4 554 B12R1.43 CC(=O)C(C)Nc1ccncc1 be55510d0cc72d21a82c879e7b584120 [0,1,0,0,0,1|1,0,0]=3 555 B12R1.43 CC(=O)C(C)Nc1ccncn1 5e8efdbeac2632a1a3c742feaee78132 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.43 CC(=O)C(C)Nc1ccnnc1 1fb056fdefe5f7a4c209b6f60ba84890 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.43 CC(=O)C(C)Nc1cnccn1 7da12751fc73002f6e814ffa1a7936ca [0,1,0,0,0,1|2,0,0]=4 558 B12R1.43 CC(=O)C(C)Nc1ncccn1 07db93f4524a5e43c9329ee5fc8f2956 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.43 CC(=O)C(C)Oc1ccccn1 956a9943d8f79641215d0b6217f9d9e7 [0,1,0,0,0,1|1,0,0]=3 560 B12R1.43 CC(=O)C(C)Oc1cccnc1 d1f1a212071c4449516b5cfa8f21cb1c [0,1,0,0,0,1|1,0,0]=3 561 B12R1.43 CC(=O)C(C)Oc1ccncc1 9490a3a06d6ba87d8be5f3e0c53d3762 [0,1,0,0,0,1|1,0,0]=3 562 B12R1.43 CC(=O)C(C)Oc1ccnnc1 2cad836e51812bb5723199ba27b3256d [0,1,0,0,0,1|2,0,0]=4 563 B12R1.43 CC(=O)C(C)Oc1cnccn1 da381606941f14a3490d6adb71127690 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.43 CC(=O)C(C)Oc1ncccn1 a3a3213c957c8320df835a159778b8f9 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.43 CC(=O)N(C)Cc1ccccc1 b985bf2c7484ae6a34647301b4683566 [0,1,0,0,0,1|1,0,0]=3 566 B12R1.43 CC(=O)N(C)Cc1ccccn1 c450d3ea04b8e825f53753140b07d344 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.43 CC(=O)N(C)Cc1cccnc1 68d654439a46d431d82ead819a36e573 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.43 CC(=O)N(C)Cc1ccncc1 e53a41aba747eca10244f4b7246f4b7f [0,1,0,0,0,1|2,0,0]=4 569 B12R1.43 CC(C)C(C)Nc1ccccc1 48093fab6ce2f9bea5eaf7557d6a555a [0,1,0,0,0,1|1,0,1]=4 570 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 638de983f09ad8573a19e829866f679b [0,1,0,0,0,1|1,0,1]=4 571 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 37a4cc2968d8598e2dd44bb0f3ee65d4 [0,1,0,0,0,1|1,0,1]=4 572 B12R1.43 CC(Nc1ccccc1)C(=O)N a13620d692f52ceee273ee15e9b75ad1 [0,1,0,0,0,1|0,0,0]=2 573 B12R1.43 CC(Nc1ccccn1)C(=O)N f83bf2ff7dcfd3b110f9f3b0a97115db [0,1,0,0,0,1|1,0,0]=3 574 B12R1.43 CC(Nc1cccnc1)C(=O)N d63e56dbb828c942fcfc8fb45d074de3 [0,1,0,0,0,1|1,0,0]=3 575 B12R1.43 CC(Nc1cccnc1)C(=O)O 659dd80270551d27c639c95faafb6472 [0,1,0,0,0,1|1,0,0]=3 576 B12R1.43 CC(Nc1cccnn1)C(=O)N 053418d5da64adf0c3d8ae878acdb194 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.43 CC(Nc1ccncc1)C(=O)N ba90507220ccfe6fc756bda09ed3e108 [0,1,0,0,0,1|1,0,0]=3 578 B12R1.43 CC(Nc1ccncc1)C(=O)O 3264441d04234b09594e21abb0ee6864 [0,1,0,0,0,1|1,0,0]=3 579 B12R1.43 CC(Nc1ccncn1)C(=O)N 934ddf99f4d4a182e64844838d6760a8 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.43 CC(Nc1ccnnc1)C(=O)N d4268c13e58d58a5d0eee2aa7d998532 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.43 CC(Nc1ccnnc1)C(=O)O 519490bc7d53392f720f75f678bb1d8c [0,1,0,0,0,1|2,0,0]=4 582 B12R1.43 CC(Nc1cnccn1)C(=O)N da5348ebc7e943ed2dacfc05cbad4840 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [0,1,0,0,0,1|0,0,2]=4 584 B12R1.43 CC(Oc1ccccn1)C(=O)N 1624b15c09b35f1a52e54d4f07893733 [0,1,0,0,0,1|1,0,0]=3 585 B12R1.43 CC(Oc1cccnc1)C(=O)N c93ec9cffe861f7d5419e273b281c733 [0,1,0,0,0,1|1,0,0]=3 586 B12R1.43 CC(Oc1ccnnc1)C(=O)N 0f227b2395312e7e932a14d1cbcf4813 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)N a6160bd3305aa260e6d958f111f59293 [0,1,0,0,0,1|0,0,0]=2 588 B12R1.43 C[C@@H](Nc1ccccc1)C(F)F 0725725b1a04a0d41d2316c9b2ed73b0 [0,1,0,0,0,1|1,0,1]=4 589 B12R1.43 C[C@@H](Nc1cccnc1)C(=O)N a37c586a2b9dbf1de69a084cd0cef09c [0,1,0,0,0,1|1,0,0]=3 590 B12R1.43 C[C@@H](Nc1cccnc1)C(=O)O f725611cd196ecb4e3173ce596f108d5 [0,1,0,0,0,1|1,0,0]=3 591 B12R1.43 C[C@@H](Nc1cccnn1)C(=O)N f30a4040b176456703aaa0bf53333467 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.43 C[C@@H](Nc1ccncc1)C(=O)N 1f374cd009e907959e7de09765803968 [0,1,0,0,0,1|1,0,0]=3 593 B12R1.43 C[C@@H](Nc1ccncc1)C(=O)O 764f440060b5ff5cba00cbd341e47e3c [0,1,0,0,0,1|1,0,0]=3 594 B12R1.43 C[C@@H](Nc1ccncn1)C(=O)N 0e10db501d94930f45d634866927e098 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.43 C[C@@H](Nc1ccnnc1)C(=O)N 22e338b5adea386a271992f3c05d30de [0,1,0,0,0,1|2,0,0]=4 596 B12R1.43 C[C@@H](Nc1ccnnc1)C(=O)O 48245fd1ff64f6b59160539a78f36411 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.43 C[C@@H](Nc1cnccn1)C(=O)N ab3dfc601bf64e0ff6a0518f0a7d7997 [0,1,0,0,0,1|2,0,0]=4 598 B12R1.43 C[C@@H](Oc1ccnnc1)C(=O)N e0d0166021b96616526fed8a933f38c9 [0,1,0,0,0,1|2,0,0]=4 599 B12R1.43 C[C@H](Nc1ccccc1)C(=O)N 52675762c748ff349487a045ecd2d147 [0,1,0,0,0,1|0,0,0]=2 600 B12R1.43 C[C@H](Nc1ccccc1)C(F)F 14231ae717c62ec767200c948d4825fd [0,1,0,0,0,1|1,0,1]=4 601 B12R1.43 C[C@H](Nc1cccnc1)C(=O)N cffa85eeee0554dd18a262517da3feb0 [0,1,0,0,0,1|1,0,0]=3 602 B12R1.43 C[C@H](Nc1cccnc1)C(=O)O dd8df90e032283b8c6411ff1e3f5a98a [0,1,0,0,0,1|1,0,0]=3 603 B12R1.43 C[C@H](Nc1cccnn1)C(=O)N 6d8a7cf5dd8eb16ee5579ba440abb57b [0,1,0,0,0,1|2,0,0]=4 604 B12R1.43 C[C@H](Nc1ccncc1)C(=O)N ad266badea115df3b4f5bccb0d59b70d [0,1,0,0,0,1|1,0,0]=3 605 B12R1.43 C[C@H](Nc1ccncc1)C(=O)O 6e2a1f431f6b654b8228879fdc066074 [0,1,0,0,0,1|1,0,0]=3 606 B12R1.43 C[C@H](Nc1ccncn1)C(=O)N 84766195c58423bbf3c709316da06aa0 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.43 C[C@H](Nc1ccnnc1)C(=O)N 2400f60a34bcdabd6ac7204416f637c7 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.43 C[C@H](Nc1ccnnc1)C(=O)O ca7b3e0e8814e6f3a93ce6499b38a640 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.43 C[C@H](Nc1cnccn1)C(=O)N 04990855398d6d2e156e0e5b0dca244c [0,1,0,0,0,1|2,0,0]=4 610 B12R1.43 C[C@H](Oc1ccnnc1)C(=O)N 4d5e16a62226cc6d4af5124ec4f6a3d2 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.43 NC(=O)C(F)Nc1ccccc1 299f6d190577b4cf14ee619179561a19 [0,1,0,0,0,1|1,0,0]=3 612 B12R1.43 NC(=O)C(F)Nc1ccccn1 ca8b6aae9687127a36e91b131df1e857 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.43 NC(=O)C(F)Nc1cccnc1 4ee34b9f1deebdf61d7c6f030a6fa1d2 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.43 NC(=O)C(F)Nc1ccncc1 73eaf17db5fb10a743046b642b6f8c1a [0,1,0,0,0,1|2,0,0]=4 615 B12R1.43 NC(=O)C(F)Oc1ccccn1 3b14353cad68e4c4b8152b09ae9a6bb1 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.43 NC(=O)C(F)Oc1cccnc1 357fafca4d938eeeb5cdef07ce6e7d3c [0,1,0,0,0,1|2,0,0]=4 617 B12R1.43 NC(=O)C(F)Oc1ccncc1 93a645f8833b59068068eba402f7e9b2 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.43 O=C(O)C(F)Nc1ccccc1 c5ce312e32f06c5c8ff8fb1426824373 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.43 O=C(O)C(F)Nc1cccnc1 455dc6c2ef68afd5d880209c8fe5a542 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.43 O=C(O)C(F)Nc1ccncc1 cc45994f4e20e8fce4641239ea111ab9 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.43 O=C(O)[C@H](F)Nc1ccccc1 a79b4fb1f0a48c194a6531a29520d20f [0,1,0,0,0,1|1,0,0]=3 622 B12R1.43 O=C(O)[C@H](F)Nc1cccnc1 c741dd412e598c70d825973c9bcdacf7 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.43 O=C(O)[C@H](F)Nc1ccncc1 a414a383322565f23e896d7ae5438835 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.49 C=CC(C)Nc1cc[n+](cc1)[O-] 1cb0c7478afa18d6898a0e78ae058fb9 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.49 C=CC(C)Nc1ccc(=O)[nH]c1 3c752533935fcaf179f29872cbbf679e [0,1,0,0,0,1|2,0,0]=4 626 B12R1.49 C=CC(C)Nc1ccc(=O)oc1 fa079005239005d7920518452ef310a9 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.49 C=CC(C)Nc1ccc(cc1)Br 403d06842376d037cebe35821a017868 [0,1,0,0,0,1|1,0,0]=3 628 B12R1.49 C=CC(C)Nc1ccc(cc1)C 0488a2d9d6404f33ce90d4230eb23cab [0,1,0,0,0,1|1,0,0]=3 629 B12R1.49 C=CC(C)Nc1ccc(cc1)Cl f4d81ae23d343863a96b2fb96899b76a [0,1,0,0,0,1|1,0,0]=3 630 B12R1.49 C=CC(C)Nc1ccc(cc1)F 65bd88cdd491a5e75767b399fffd908a [0,1,0,0,0,1|1,0,0]=3 631 B12R1.49 C=CC(C)Nc1ccc(cc1)I eb64d4ea5e2eafff82bdf3cbc45d4407 [0,1,0,0,0,1|1,0,0]=3 632 B12R1.49 C=CC(C)Nc1ccc(cc1)O 3cc58842ae566312961afddeb6065735 [0,1,0,0,0,1|1,0,0]=3 633 B12R1.49 C=CC(C)Nc1ccc(cc1)S e8fcf7b2d5ac4b2a56cb6d0c7b61aaae [0,1,0,0,0,1|1,0,0]=3 634 B12R1.49 C=CC(C)Nc1ccc(cn1)Br a3d01240bc9885ee24f4d4fc7455ad09 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.49 C=CC(C)Nc1ccc(cn1)C 417b9adf2c8c2b34a7987fe4d0a1f7ac [0,1,0,0,0,1|2,0,0]=4 636 B12R1.49 C=CC(C)Nc1ccc(cn1)Cl e8892f03548d2fcad0074a355ad60177 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.49 C=CC(C)Nc1ccc(cn1)F 09fc7d3c122134b6413b2cdf05600c99 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.49 C=CC(C)Nc1ccc(cn1)I 8336bc4814c0c41ec0eb4503463c8a47 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.49 C=CC(C)Nc1ccc(cn1)O 61e2aebb9a3b722ce84566081cf9edad [0,1,0,0,0,1|2,0,0]=4 640 B12R1.49 C=CC(C)Nc1ccc(cn1)S 549386dd4aa4d32d4228a4f395c4aeb3 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.49 C=CC(C)Nc1ccc(nc1)Br 62cf182eedc1f6db2e88927c1b25f48f [0,1,0,0,0,1|2,0,0]=4 642 B12R1.49 C=CC(C)Nc1ccc(nc1)C 79cb0cb5e49f2877698170b7a48fe5a0 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.49 C=CC(C)Nc1ccc(nc1)Cl 3eedcf09d004f4c9e4e92d41ee4529d4 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.49 C=CC(C)Nc1ccc(nc1)F 3ebac604e44599e71d26828e9fc16efd [0,1,0,0,0,1|2,0,0]=4 645 B12R1.49 C=CC(C)Nc1ccc(nc1)I e455a856fe53178ebe91990576e8f21e [0,1,0,0,0,1|2,0,0]=4 646 B12R1.49 C=CC(C)Nc1ccc(nc1)S b53ad2f3ef8f48dd989efba60f31975a [0,1,0,0,0,1|2,0,0]=4 647 B12R1.49 C=CC(C)Oc1ccc(cc1)Br 8b58fa56c68a51d29f696130d4c93c91 [0,1,0,0,0,1|1,0,0]=3 648 B12R1.49 C=CC(C)Oc1ccc(cc1)C 23b50949d0ed4622ff3350a650649a98 [0,1,0,0,0,1|1,0,0]=3 649 B12R1.49 C=CC(C)Oc1ccc(cc1)Cl 9fff9b33ca18eda00f3f594df3fd81dc [0,1,0,0,0,1|1,0,0]=3 650 B12R1.49 C=CC(C)Oc1ccc(cc1)F cb1256648bbcacf84b4a83bcfab217ba [0,1,0,0,0,1|1,0,0]=3 651 B12R1.49 C=CC(C)Oc1ccc(cc1)I 577f46f1638e304f2fc082cd6cb84434 [0,1,0,0,0,1|1,0,0]=3 652 B12R1.49 C=CC(C)Oc1ccc(cc1)S 964461676dd4d8d84788fee04bcd67f0 [0,1,0,0,0,1|1,0,0]=3 653 B12R1.49 C=CC(C)Oc1ccc(cn1)C 805c92d04e4c6e74d00c75f5d59d237e [0,1,0,0,0,1|2,0,0]=4 654 B12R1.49 C=CC(C)Oc1ccc(cn1)Cl 803966402dba76a4e43426efacda6295 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.49 C=CC(C)Oc1ccc(cn1)F 4687bf9dd6e743e8d9c470312c6df722 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.49 C=CC(C)Oc1ccc(cn1)I 1877cba9b2cf486fac3615c04a41cb78 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.49 C=CC(C)Oc1ccc(nc1)Br 5ea5d47905c75ad53b53f223071083f1 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.49 C=CC(C)Oc1ccc(nc1)C 44a93f0dd5f29feccf64f547b3866395 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.49 C=CC(C)Oc1ccc(nc1)Cl b7c309c053ff89fafa2d58706e7dcd3e [0,1,0,0,0,1|2,0,0]=4 660 B12R1.49 C=CC(C)Oc1ccc(nc1)F 2cd7bc7c0b4dc555faf56a00269ea986 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.49 C=CC(C)Oc1ccc(nc1)I 56c0cec42699369bb7ee53555fe6350f [0,1,0,0,0,1|2,0,0]=4 662 B12R1.49 CC(C#N)Nc1ccc(cc1)S ac71b703962a1a844719a45f86f016b5 [0,1,0,0,0,1|1,0,1]=4 663 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 0ebdbbe895ac26954af91805adb881c1 [0,1,0,0,0,1|1,0,1]=4 664 B12R1.49 CC(C=O)Nc1ccc(=O)[nH]c1 8a2b07d06b35e10eafa4d47cd248ed90 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.49 CC(C=O)Nc1ccc(cc1)Br 0b5aa495fe35d339e0a42d586abdd9e9 [0,1,0,0,0,1|0,0,0]=2 666 B12R1.49 CC(C=O)Nc1ccc(cc1)Cl 4e5b79d1ad83a88f8820fd2e86f0fb86 [0,1,0,0,0,1|0,0,0]=2 667 B12R1.49 CC(C=O)Nc1ccc(cc1)F 5684754fe181f7994ecf244d7faa13bf [0,1,0,0,0,1|0,0,0]=2 668 B12R1.49 CC(C=O)Nc1ccc(cc1)I ccff2f2e9987c01434a0f0fdad935e2c [0,1,0,0,0,1|0,0,0]=2 669 B12R1.49 CC(C=O)Nc1ccc(cc1)S 4ed1c3cd9e4fa22f3944755b2442a838 [0,1,0,0,0,1|0,0,0]=2 670 B12R1.49 CC(C=O)Nc1ccc(cn1)Br ac9c8af552e6651f439cce0da8c236b2 [0,1,0,0,0,1|1,0,0]=3 671 B12R1.49 CC(C=O)Nc1ccc(cn1)Cl 326f01f30efadf4e8f0771e0a33034b9 [0,1,0,0,0,1|1,0,0]=3 672 B12R1.49 CC(C=O)Nc1ccc(cn1)F 403c1594635a4ff33e5b5d0f0f03405b [0,1,0,0,0,1|1,0,0]=3 673 B12R1.49 CC(C=O)Nc1ccc(cn1)I f9ae8727a6b2de1fc07b54a0d7dffaad [0,1,0,0,0,1|1,0,0]=3 674 B12R1.49 CC(C=O)Nc1ccc(nc1)Br f186dfda5f1271c9bcf7df72beb704ac [0,1,0,0,0,1|1,0,0]=3 675 B12R1.49 CC(C=O)Nc1ccc(nc1)Cl 34857a9173afa74a675eca29153b5078 [0,1,0,0,0,1|1,0,0]=3 676 B12R1.49 CC(C=O)Nc1ccc(nc1)F 211a738bce9d7e16ebd963fae07e698c [0,1,0,0,0,1|1,0,0]=3 677 B12R1.49 CC(C=O)Nc1ccc(nc1)I bcfae411b3030970f6d5606ae9e9c77d [0,1,0,0,0,1|1,0,0]=3 678 B12R1.49 CC(C=O)Nc1ccc(nn1)Br 8380b3c75d1c6e875248ad7ccae5035a [0,1,0,0,0,1|2,0,0]=4 679 B12R1.49 CC(C=O)Nc1ccc(nn1)Cl b922656e3897e3237fc6f06b0ca4b739 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.49 CC(C=O)Nc1ccc(nn1)F 0ea88dce72914ad550c4707de1a916e1 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.49 CC(C=O)Nc1ccc(nn1)I 5fafa5f94d33bb2226c944fe4b33050a [0,1,0,0,0,1|2,0,0]=4 682 B12R1.49 CC(C=O)Nc1cnc(=O)[nH]c1 122625e751b251755f655080bcf2ca92 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.49 CC(C=O)Nc1cnc(cn1)Br e2d39108c7a7759ff448baaea9eef07a [0,1,0,0,0,1|2,0,0]=4 684 B12R1.49 CC(C=O)Nc1cnc(cn1)Cl d1537ba4b919744dc4c8cb6b41bcc1a5 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.49 CC(C=O)Nc1cnc(cn1)I 4bbc5b8f556a58bcf211e9ac729d3c24 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.49 CC(C=O)Nc1cnc(nc1)Br f7e952463f85dcabc3eb547d13648543 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.49 CC(C=O)Nc1cnc(nc1)Cl f24a4b8340a38d209550053d7379c8fc [0,1,0,0,0,1|2,0,0]=4 688 B12R1.49 CC(C=O)Nc1cnc(nc1)I a3daf5f24f6a68e8daeb2095f75cfc85 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.49 CC(C=O)Nc1ncc(cn1)Br bf11010ccb359a02d4beaaa101c8cfea [0,1,0,0,0,1|2,0,0]=4 690 B12R1.49 CC(C=O)Nc1ncc(cn1)Cl f8ab06337cb410586dc228a32de92c5c [0,1,0,0,0,1|2,0,0]=4 691 B12R1.49 CC(C=O)Nc1ncc(cn1)F bd1d0304858bad066554e5a2d25a3329 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.49 CC(C=O)Nc1ncc(cn1)I e256a6476a73318764177b15b5c7c829 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.49 CC(C=O)Oc1ccc(cc1)Br 95e95ee3a48905ba5f9045bfec61520c [0,1,0,0,0,1|0,0,0]=2 694 B12R1.49 CC(C=O)Oc1ccc(cc1)Cl f1b9ef83945eb43116fda33fc5f1d9c5 [0,1,0,0,0,1|0,0,0]=2 695 B12R1.49 CC(C=O)Oc1ccc(cc1)F 6d7985a64825be68afd5f733eb20e88f [0,1,0,0,0,1|0,0,0]=2 696 B12R1.49 CC(C=O)Oc1ccc(cc1)I 5c06b2f5f60433bfdbc232af800e78a4 [0,1,0,0,0,1|0,0,0]=2 697 B12R1.49 CC(C=O)Oc1ccc(cc1)S 5313ec236558d5ec496e77bc1ae8f1ff [0,1,0,0,0,1|0,0,0]=2 698 B12R1.49 CC(C=O)Oc1ccc(cn1)Cl 33dd34b6d303b129969e6fcf7f480ada [0,1,0,0,0,1|1,0,0]=3 699 B12R1.49 CC(C=O)Oc1ccc(cn1)F 4473f53d4a8829165ba20ef50aa8bbe7 [0,1,0,0,0,1|1,0,0]=3 700 B12R1.49 CC(C=O)Oc1ccc(cn1)I c4120974e8ec0c51e8e2bac63c0e62c3 [0,1,0,0,0,1|1,0,0]=3 701 B12R1.49 CC(C=O)Oc1ccc(nc1)Br 7a3fb6aab9b581d6024032b70db2f411 [0,1,0,0,0,1|1,0,0]=3 702 B12R1.49 CC(C=O)Oc1ccc(nc1)Cl 104734ddbf05995d2180bce252af109d [0,1,0,0,0,1|1,0,0]=3 703 B12R1.49 CC(C=O)Oc1ccc(nc1)F 364516d18f86696b44430e9ea6a8cc9b [0,1,0,0,0,1|1,0,0]=3 704 B12R1.49 CC(C=O)Oc1ccc(nc1)I 4a40395b49e9fa111cdc777373f88c73 [0,1,0,0,0,1|1,0,0]=3 705 B12R1.49 CC(C=O)Oc1ccc(nn1)Br b2e5623280d2d631f3440870190a3a7d [0,1,0,0,0,1|2,0,0]=4 706 B12R1.49 CC(C=O)Oc1ccc(nn1)Cl 966465b9f60ff283019de915a31e50ef [0,1,0,0,0,1|2,0,0]=4 707 B12R1.49 CC(C=O)Oc1cnc(cn1)Br 026a46db66474c62ae4ef5e86bf7e839 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.49 CC(C=O)Oc1cnc(cn1)Cl 9a236f8b686655f6d07a08c9fef76252 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.49 CC(C=O)Oc1cnc(cn1)I feb3229b72b12a116ea3c13c32084ac6 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.49 CC(C=O)Oc1cnc(nc1)Br 28774ac0b73b7f94842ebeac0d6aff7d [0,1,0,0,0,1|2,0,0]=4 711 B12R1.49 CC(C=O)Oc1cnc(nc1)Cl 67e17991104e7ffce736659c3d26cf4a [0,1,0,0,0,1|2,0,0]=4 712 B12R1.49 CC(C=O)Oc1ncc(cn1)Br 42b519496106e78e3d15a8b3ed0236e0 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.49 CC(C=O)Oc1ncc(cn1)F 0ab33288c6e7027e9d510246359815b4 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.49 CC(C=O)Oc1ncc(cn1)I aade2c0ce9d1183346b05be07cfbeee0 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.49 CC(CO)Nc1ccc(cc1)Br 592ef5953e06db03ec99416b117263ef [0,1,0,0,0,1|0,0,2]=4 716 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 6e245977f2eddb60c0247b5c843b676d [0,1,0,0,0,1|0,0,2]=4 717 B12R1.49 CC(CO)Nc1ccc(cc1)F 4b0578096f484cca12cad3c022131099 [0,1,0,0,0,1|0,0,2]=4 718 B12R1.49 CC(CO)Nc1ccc(cc1)I 774ceb747df2f9a4ee3d7a744cbb4ea7 [0,1,0,0,0,1|0,0,2]=4 719 B12R1.49 CC(CO)Nc1ccc(cc1)S 6476a5e0718364a34b1792ef13298738 [0,1,0,0,0,1|0,0,2]=4 720 B12R1.49 CCC(C)Nc1ccc(cc1)Br 4d1c483cf4afbfba9a2f8d3db94bec3f [0,1,0,0,0,1|1,0,1]=4 721 B12R1.49 CCC(C)Nc1ccc(cc1)C 3b1fa0514d720f4b3db404292b778124 [0,1,0,0,0,1|1,0,1]=4 722 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 76d63efd5fc59378ea17379a47e7b19f [0,1,0,0,0,1|1,0,1]=4 723 B12R1.49 CCC(C)Nc1ccc(cc1)F e00a92636e95efc27604581ea177b931 [0,1,0,0,0,1|1,0,1]=4 724 B12R1.49 CCC(C)Nc1ccc(cc1)I 442f4ce893379ae3f70afc3980567446 [0,1,0,0,0,1|1,0,1]=4 725 B12R1.49 CCC(C)Nc1ccc(cc1)S d4e426a89d91db8144c9fb2dff511b9d [0,1,0,0,0,1|1,0,1]=4 726 B12R1.49 CCC(C)Oc1ccc(cc1)Br e9ac760eb966c46626ad8cc78ce8ab95 [0,1,0,0,0,1|1,0,1]=4 727 B12R1.49 CCC(C)Oc1ccc(cc1)C 7e96b7f640ec60a64eac66e0769be3a7 [0,1,0,0,0,1|1,0,1]=4 728 B12R1.49 CCC(C)Oc1ccc(cc1)Cl e4591e0baef7f8d77d4837bf4d9fdb37 [0,1,0,0,0,1|1,0,1]=4 729 B12R1.49 CCC(C)Oc1ccc(cc1)F c16cd2d17d48a9601c3d676d21db62eb [0,1,0,0,0,1|1,0,1]=4 730 B12R1.49 CCC(C)Oc1ccc(cc1)I 1f03b3dddba16cff63099651f2c3fd3b [0,1,0,0,0,1|1,0,1]=4 731 B12R1.49 CCC(C)Oc1ccc(cc1)S d9f5a2f73690dbd57408915a8a39b443 [0,1,0,0,0,1|1,0,1]=4 732 B12R1.49 CC[C@@H](C)Nc1ccc(cc1)S cbd8e9c1c5acf2775569733e10999d98 [0,1,0,0,0,1|1,0,1]=4 733 B12R1.49 CC[C@H](C)Nc1ccc(cc1)S fffd6af76aaef88a5e0ba51aece02cfc [0,1,0,0,0,1|1,0,1]=4 734 B12R1.49 CN(C=O)Cc1ccc(cc1)Br 87bc57820184054248c482743af343a7 [0,1,0,0,0,1|1,0,0]=3 735 B12R1.49 CN(C=O)Cc1ccc(cc1)Cl 40d69582b1cb881b7a2339c72a44ee76 [0,1,0,0,0,1|1,0,0]=3 736 B12R1.49 CN(C=O)Cc1ccc(cc1)F 0aaf62dd7593e1c678dee63efb35b992 [0,1,0,0,0,1|1,0,0]=3 737 B12R1.49 CN(C=O)Cc1ccc(cc1)I 43c32b38de3611d81fb79371beaa68a2 [0,1,0,0,0,1|1,0,0]=3 738 B12R1.49 CN(C=O)Cc1ccc(cc1)O 80e222d89d86f57d15087977ffec02ba [0,1,0,0,0,1|1,0,0]=3 739 B12R1.49 CN(C=O)Cc1ccc(nc1)Br 2a77ba6498c41f9b41121d98c87b7f71 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.49 CN(C=O)Cc1ccc(nc1)Cl 2cace184b35fe1526ebc4b3e72d63152 [0,1,0,0,0,1|2,0,0]=4 741 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Br 81ff9fcc021a132282f1894c27228443 [0,1,0,0,0,1|0,0,2]=4 742 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Cl 895f70fe0dbe38715df711db55f41f0c [0,1,0,0,0,1|0,0,2]=4 743 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)F 9b79cc3b0525c5fa5f4e86071dc6a6d4 [0,1,0,0,0,1|0,0,2]=4 744 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)I f030c452e948f44d3d2e91d60b707da3 [0,1,0,0,0,1|0,0,2]=4 745 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)S 43c8b001202cbd567805dbe271a67550 [0,1,0,0,0,1|0,0,2]=4 746 B12R1.49 C[C@H](C=O)Nc1ccc(=O)[nH]c1 e51c46f385e2292a5d39043f44865c5e [0,1,0,0,0,1|1,0,0]=3 747 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)Br 9da1a3f2799b259fc8798e33e4adf1a1 [0,1,0,0,0,1|0,0,0]=2 748 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)Cl 96c63f81bc7272c644b26eb6861d4c24 [0,1,0,0,0,1|0,0,0]=2 749 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)F 246dadd31bc41ec3cb154bdd64b1a18e [0,1,0,0,0,1|0,0,0]=2 750 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)I 2811cf92fdee54c8c73288e50e4d3dbb [0,1,0,0,0,1|0,0,0]=2 751 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)S 663aec2f6d763e5eb9a4c4f0db443af7 [0,1,0,0,0,1|0,0,0]=2 752 B12R1.49 C[C@H](C=O)Nc1ccc(cn1)Br 33f88d9b3dad9f01da3213680c80ca58 [0,1,0,0,0,1|1,0,0]=3 753 B12R1.49 C[C@H](C=O)Nc1ccc(cn1)Cl 40b11c36621b42e90489df0135418b24 [0,1,0,0,0,1|1,0,0]=3 754 B12R1.49 C[C@H](C=O)Nc1ccc(cn1)F 1d356f0b69cac89a26fbb7770543e15b [0,1,0,0,0,1|1,0,0]=3 755 B12R1.49 C[C@H](C=O)Nc1ccc(cn1)I a9ae8a592aaad7636d6a445aeb7ee2dc [0,1,0,0,0,1|1,0,0]=3 756 B12R1.49 C[C@H](C=O)Nc1ccc(nc1)Br 7207f9b5b452b8c1546630b6f6c6adb2 [0,1,0,0,0,1|1,0,0]=3 757 B12R1.49 C[C@H](C=O)Nc1ccc(nc1)Cl a3a1f439377bc6c63567b92f4e4983ac [0,1,0,0,0,1|1,0,0]=3 758 B12R1.49 C[C@H](C=O)Nc1ccc(nc1)F 3d5be8a4f9b45ea29f918808b85d19e0 [0,1,0,0,0,1|1,0,0]=3 759 B12R1.49 C[C@H](C=O)Nc1ccc(nc1)I be74f563b881fde29185809abcc96de3 [0,1,0,0,0,1|1,0,0]=3 760 B12R1.49 C[C@H](C=O)Nc1ccc(nn1)Br 5956b74682a9671079265eed48ac3597 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.49 C[C@H](C=O)Nc1ccc(nn1)Cl 17ec8b28625cf544cd9f573f4aa70c90 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.49 C[C@H](C=O)Nc1ccc(nn1)F 396fdfefe86f310bd3685fd9b61857ea [0,1,0,0,0,1|2,0,0]=4 763 B12R1.49 C[C@H](C=O)Nc1ccc(nn1)I e6fac156174e21a6d992227a04acecf5 [0,1,0,0,0,1|2,0,0]=4 764 B12R1.49 C[C@H](C=O)Nc1cnc(=O)[nH]c1 c23e251ec8a247f4ec1543376fe5988f [0,1,0,0,0,1|2,0,0]=4 765 B12R1.49 C[C@H](C=O)Nc1cnc(cn1)Br 9537751b5ecd602716d32065f162ccc5 [0,1,0,0,0,1|2,0,0]=4 766 B12R1.49 C[C@H](C=O)Nc1cnc(cn1)Cl 01746f12ec7086dc991631d03a8d895c [0,1,0,0,0,1|2,0,0]=4 767 B12R1.49 C[C@H](C=O)Nc1cnc(cn1)I cb20900827d9ec42809fe81c1bb6398d [0,1,0,0,0,1|2,0,0]=4 768 B12R1.49 C[C@H](C=O)Nc1cnc(nc1)Br 646825747e4f8f45a137bd03d2431747 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.49 C[C@H](C=O)Nc1cnc(nc1)Cl b27afe1520f43f270fdf74540cc78550 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.49 C[C@H](C=O)Nc1cnc(nc1)I b36733416cfed3f48764fd5f7ba16dbd [0,1,0,0,0,1|2,0,0]=4 771 B12R1.49 C[C@H](C=O)Nc1ncc(cn1)Br c5311e3878be7074d857c2cc4af27e21 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.49 C[C@H](C=O)Nc1ncc(cn1)Cl 896340a451124f5871682f0d0066997d [0,1,0,0,0,1|2,0,0]=4 773 B12R1.49 C[C@H](C=O)Nc1ncc(cn1)F 636759182870a038714abbe99d0a0c21 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.49 C[C@H](C=O)Nc1ncc(cn1)I 52be20aab76df8f8de5f4f6448c804da [0,1,0,0,0,1|2,0,0]=4 775 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)Br a777615056b6692a116ec18ff9c7f468 [0,1,0,0,0,1|0,0,0]=2 776 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)Cl 0d8070db8ae5d2faf82c0d769d05c05f [0,1,0,0,0,1|0,0,0]=2 777 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)F 98f105ec555d1332e10eeda2b0eaf3dd [0,1,0,0,0,1|0,0,0]=2 778 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)I 3b12be3364e785f902e909b21ef03699 [0,1,0,0,0,1|0,0,0]=2 779 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)S a7b779cddd8f944bb9b2c44c3d55bb15 [0,1,0,0,0,1|0,0,0]=2 780 B12R1.49 C[C@H](C=O)Oc1ccc(cn1)Cl 4f2c921606b2ce3187ba95aa2ee87874 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.49 C[C@H](C=O)Oc1ccc(cn1)F 1d9e7c904d25e00f8a41b60dd85457d8 [0,1,0,0,0,1|1,0,0]=3 782 B12R1.49 C[C@H](C=O)Oc1ccc(cn1)I c32cdd838bd44c0969cf56d6e43d87fa [0,1,0,0,0,1|1,0,0]=3 783 B12R1.49 C[C@H](C=O)Oc1ccc(nc1)Br d90e009b43a00e2d8e10ea0419bfe0b7 [0,1,0,0,0,1|1,0,0]=3 784 B12R1.49 C[C@H](C=O)Oc1ccc(nc1)Cl 3a7ca50f7870cd532189c6644eeee3dc [0,1,0,0,0,1|1,0,0]=3 785 B12R1.49 C[C@H](C=O)Oc1ccc(nc1)F 66eba9f6ce98632319a5acef7ecba5ee [0,1,0,0,0,1|1,0,0]=3 786 B12R1.49 C[C@H](C=O)Oc1ccc(nc1)I c07cb6364b62f18d8ac78d18867e2daa [0,1,0,0,0,1|1,0,0]=3 787 B12R1.49 C[C@H](C=O)Oc1ccc(nn1)Br a8a55eca44b3c12851470255ddf18d17 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.49 C[C@H](C=O)Oc1ccc(nn1)Cl 1c53da9a560362020e9f6d1fc1e53cee [0,1,0,0,0,1|2,0,0]=4 789 B12R1.49 C[C@H](C=O)Oc1cnc(cn1)Br 924582571758264a0855740ac9eee9bf [0,1,0,0,0,1|2,0,0]=4 790 B12R1.49 C[C@H](C=O)Oc1cnc(cn1)Cl dd308813a32c5ecbcc52d824c9c49df1 [0,1,0,0,0,1|2,0,0]=4 791 B12R1.49 C[C@H](C=O)Oc1cnc(cn1)I 5d4f4eafe5a3771d6a200bc601f802c1 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.49 C[C@H](C=O)Oc1cnc(nc1)Br 271a483651ea6bb2d2f9b818ef3b5f65 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.49 C[C@H](C=O)Oc1cnc(nc1)Cl 94eadfd3d231ea733dfdaf16bb4c76ec [0,1,0,0,0,1|2,0,0]=4 794 B12R1.49 C[C@H](C=O)Oc1ncc(cn1)Br 84fe4c75d67ba0ad532998b62618dc9d [0,1,0,0,0,1|2,0,0]=4 795 B12R1.49 C[C@H](C=O)Oc1ncc(cn1)F b9e2cd23336cd6098a9275c6842bc636 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.49 C[C@H](C=O)Oc1ncc(cn1)I c7b1578d0e05248637e6006bb7c528d7 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Br af8120a15198da801643963289e3f0b4 [0,1,0,0,0,1|0,0,2]=4 798 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Cl 356f51342fc5e10d8fb2b3371a2ed97a [0,1,0,0,0,1|0,0,2]=4 799 B12R1.49 C[C@H](CO)Nc1ccc(cc1)F 1f77c87bbae95423a93fe876d033eefc [0,1,0,0,0,1|0,0,2]=4 800 B12R1.49 C[C@H](CO)Nc1ccc(cc1)I a3869a49772cee44011ad8dc480d5c9d [0,1,0,0,0,1|0,0,2]=4 801 B12R1.49 C[C@H](CO)Nc1ccc(cc1)S 85732fce8faa73b572919e248911292a [0,1,0,0,0,1|0,0,2]=4 802 B12R1.49 Cc1ccc(cc1)CN(C)C=O 2354ea15dc06b068271ea5e5ab22956c [0,1,0,0,0,1|1,0,0]=3 803 B12R1.49 Cc1ccc(cc1)NC(=O)C=O 8b3e573e7a74e87e746c2bc81ca07e70 [0,1,0,0,0,1|1,0,1]=4 804 B12R1.49 Cc1ccc(cc1)NC(C)C=O 25523a11e24587143b71fa6a3b27ffb2 [0,1,0,0,0,1|0,0,0]=2 805 B12R1.49 Cc1ccc(cc1)NC(C)CO 3a65f703743c7582d59d27c4b911a046 [0,1,0,0,0,1|0,0,2]=4 806 B12R1.49 Cc1ccc(cc1)N[C@@H](C)CO 2d26d3567e3cf630da5665d889609cd2 [0,1,0,0,0,1|0,0,2]=4 807 B12R1.49 Cc1ccc(cc1)N[C@H](C)C=O 28e4bee698edd08666ae4838a95d94b8 [0,1,0,0,0,1|0,0,0]=2 808 B12R1.49 Cc1ccc(cc1)N[C@H](C)CO ef5026ef31ef684c9c9940edc6a6ea55 [0,1,0,0,0,1|0,0,2]=4 809 B12R1.49 Cc1ccc(cc1)OC(C)C=O af87facb189cc757d2705aa9fa4da122 [0,1,0,0,0,1|0,0,0]=2 810 B12R1.49 Cc1ccc(cc1)O[C@H](C)C=O 5a6244d0de0cff008d52114aada8a1de [0,1,0,0,0,1|0,0,0]=2 811 B12R1.49 Cc1ccc(cn1)CN(C)C=O a43e4a9a2cc5e91d249d3896121306c8 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.49 Cc1ccc(cn1)NC(C)C=O eaa5322fb607707191a67604549cea57 [0,1,0,0,0,1|1,0,0]=3 813 B12R1.49 Cc1ccc(cn1)N[C@H](C)C=O b2d1254bfba4535b7411865d13d6c9be [0,1,0,0,0,1|1,0,0]=3 814 B12R1.49 Cc1ccc(cn1)OC(C)C=O 27f5d603ee876dc4b99c58e5f464c3af [0,1,0,0,0,1|1,0,0]=3 815 B12R1.49 Cc1ccc(cn1)O[C@H](C)C=O e252f38a5b05a93e7fd0b0a696bfebc3 [0,1,0,0,0,1|1,0,0]=3 816 B12R1.49 Cc1ccc(nc1)CN(C)C=O a50468879e0fda2147f8b8adf9d863c7 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.49 Cc1ccc(nc1)NC(C)C=O 8ee8731692aebcbdfe9b8f8bc430bc7a [0,1,0,0,0,1|1,0,0]=3 818 B12R1.49 Cc1ccc(nc1)N[C@H](C)C=O fd8f7fc13cdfa6ed955ad9dfccaa691b [0,1,0,0,0,1|1,0,0]=3 819 B12R1.49 Cc1ccc(nc1)OC(C)C=O c45ef749cd7dffe2249f211fc96cbb68 [0,1,0,0,0,1|1,0,0]=3 820 B12R1.49 Cc1ccc(nc1)O[C@H](C)C=O bcfd8a8ac60d4a7720853da3ead56605 [0,1,0,0,0,1|1,0,0]=3 821 B12R1.49 Cc1ccc(nn1)NC(C)C=O 3b32361446fc2c30f5bbc3dca8d898bc [0,1,0,0,0,1|2,0,0]=4 822 B12R1.49 Cc1ccc(nn1)N[C@H](C)C=O a60d6d3c795b6de43e304f053191a747 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.49 Cc1ccc(nn1)OC(C)C=O d44d799d8bda93bd56d28a5b3982550b [0,1,0,0,0,1|2,0,0]=4 824 B12R1.49 Cc1ccc(nn1)O[C@H](C)C=O ccf0c1d8a9d49b17a3856cde69c547e1 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.49 Cc1cnc(cn1)NC(C)C=O 581f4c64fbea755081e437000babafc7 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.49 Cc1cnc(cn1)N[C@H](C)C=O f2ecfab48f7af1f4ea60bb38221f64cf [0,1,0,0,0,1|2,0,0]=4 827 B12R1.49 Cc1cnc(cn1)OC(C)C=O 7573621a97d8c51db641947a6fde476c [0,1,0,0,0,1|2,0,0]=4 828 B12R1.49 Cc1cnc(cn1)O[C@H](C)C=O ea301137ddb7cb62043e9b40f503a57a [0,1,0,0,0,1|2,0,0]=4 829 B12R1.49 Cc1cnc(nc1)NC(C)C=O 49969c15667b2a9c8311e4c8187134ff [0,1,0,0,0,1|2,0,0]=4 830 B12R1.49 Cc1cnc(nc1)N[C@H](C)C=O d221537282b43b2a2403337e0d6a82f1 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.49 Cc1cnc(nc1)OC(C)C=O 909d470e60a46fa3f67f87a7faadf01e [0,1,0,0,0,1|2,0,0]=4 832 B12R1.49 Cc1cnc(nc1)O[C@H](C)C=O a128be64c83c09fae5c8a800f126f2a0 [0,1,0,0,0,1|2,0,0]=4 833 B12R1.49 Cc1ncc(cn1)NC(C)C=O 85a73207a357d01255b41a2b75e0b2ce [0,1,0,0,0,1|2,0,0]=4 834 B12R1.49 Cc1ncc(cn1)N[C@H](C)C=O 35ff252c0e1575cffb059b8488de11c7 [0,1,0,0,0,1|2,0,0]=4 835 B12R1.49 Cc1ncc(cn1)OC(C)C=O a72aba05efcd4263c8242a86a8a4eaf1 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.49 Cc1ncc(cn1)O[C@H](C)C=O f5f1c1d30db6ec8ade38cb920c69f4d3 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.49 O=CC(=O)Nc1ccc(cc1)Br fc5a95154d25e5b30033e4955486052d [0,1,0,0,0,1|1,0,1]=4 838 B12R1.49 O=CC(=O)Nc1ccc(cc1)Cl 681dbcba30adac27f90acb5611705f13 [0,1,0,0,0,1|1,0,1]=4 839 B12R1.49 O=CC(=O)Nc1ccc(cc1)F 52ce11eaba00fcec9a2f58fdbba6fe7e [0,1,0,0,0,1|1,0,1]=4 840 B12R1.49 O=CC(=O)Nc1ccc(cc1)I 3baa48a55426055740ecacff89a9f6a4 [0,1,0,0,0,1|1,0,1]=4 841 B12R1.49 O=CC(=O)Nc1ccc(cc1)O 0ba7f76c16b99887af7eca1898068955 [0,1,0,0,0,1|1,0,1]=4 842 B12R1.49 O=CC(=O)Nc1ccc(cc1)S 4c0e76f97aa43d9cd9065d3d4295f4e7 [0,1,0,0,0,1|1,0,1]=4 843 B12R1.50 C#CC(C)Oc1cccc(c1)F 20467f815808b2c16526287a6f576b12 [0,1,0,0,0,1|1,0,1]=4 844 B12R1.50 C=CC(C)Nc1cc(ccn1)Br a79d5a34249357509fdf76236bec6f59 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.50 C=CC(C)Nc1cc(ccn1)C 5dcd3c6e2fd90cc1035ecc9d033dab27 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.50 C=CC(C)Nc1cc(ccn1)Cl 4054f6465b759545f9b2ff8ddd421584 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.50 C=CC(C)Nc1cc(ccn1)F 6a9ec655b0ea6f3e244954bdc9e34821 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.50 C=CC(C)Nc1cc(ccn1)I 4aad70a9c64217a130bcaffc8ed67525 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.50 C=CC(C)Nc1cc(ccn1)O fa76b925c8cf603dbbde337ce74b2de8 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.50 C=CC(C)Nc1cc[nH]c(=S)c1 d671b55f78dc467115665b8054aea289 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.50 C=CC(C)Nc1ccc[n+](c1)[O-] 8500ff3900a95e848cf5a1ba96c977c8 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.50 C=CC(C)Nc1cccc(=O)[nH]1 b61b3ff6eeae75b70dfe2b6f14191177 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.50 C=CC(C)Nc1cccc(c1)Br 5d0d292438f9fb80ee1d9349af7481d9 [0,1,0,0,0,1|1,0,0]=3 854 B12R1.50 C=CC(C)Nc1cccc(c1)C 85440b7448d0fdce9f2aa1b9dab583bd [0,1,0,0,0,1|1,0,0]=3 855 B12R1.50 C=CC(C)Nc1cccc(c1)Cl 92e556d6a18c6783b805767b4898a78d [0,1,0,0,0,1|1,0,0]=3 856 B12R1.50 C=CC(C)Nc1cccc(c1)F d1790bc00c4c3ae3a59918aca510c916 [0,1,0,0,0,1|1,0,0]=3 857 B12R1.50 C=CC(C)Nc1cccc(c1)I d2ed66f95138c6998ff4923ac40d93dd [0,1,0,0,0,1|1,0,0]=3 858 B12R1.50 C=CC(C)Nc1cccc(c1)O bacbd9d3a5511a3444e0064010a063ef [0,1,0,0,0,1|1,0,0]=3 859 B12R1.50 C=CC(C)Nc1cccc(c1)S ec9a39ad45f6c77d1301409ea5bbbac2 [0,1,0,0,0,1|1,0,0]=3 860 B12R1.50 C=CC(C)Nc1cccc(n1)Br dfdcd447f0b1f8e17091bc1d0fd9e45b [0,1,0,0,0,1|2,0,0]=4 861 B12R1.50 C=CC(C)Nc1cccc(n1)C 73b8756292e86d522652c8e51dbfa30e [0,1,0,0,0,1|2,0,0]=4 862 B12R1.50 C=CC(C)Nc1cccc(n1)Cl 522a05d7d38d1a3fa8faab4388106504 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.50 C=CC(C)Nc1cccc(n1)F 2aef94fbb32b729eec29791334234239 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.50 C=CC(C)Nc1cccc(n1)I cfc5b67b9e697a4f4c7b5689c29214b2 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.50 C=CC(C)Nc1ccnc(c1)Br 9535bf4c5394e567033e45e8d55403a0 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.50 C=CC(C)Nc1ccnc(c1)C 9a348d06d93acebbe495b819b60c556c [0,1,0,0,0,1|2,0,0]=4 867 B12R1.50 C=CC(C)Nc1ccnc(c1)Cl e4f4ba8ef5f1a781a07f7396c7f1443d [0,1,0,0,0,1|2,0,0]=4 868 B12R1.50 C=CC(C)Nc1ccnc(c1)F d242c77d2eb5c0691a10e6609b622a23 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.50 C=CC(C)Nc1ccnc(c1)I a5a3fc572c183a64ffda62e4ed6c99f3 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.50 C=CC(C)Nc1ccnc(c1)O 8f75d5402eede857740e0483378809b7 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.50 C=CC(C)Nc1cncc(c1)Br dcd786a5cc792df29999b0fc7b546459 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.50 C=CC(C)Nc1cncc(c1)C e1706cdd7ca8f0e1d564c5e1b71136d2 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.50 C=CC(C)Nc1cncc(c1)Cl f8659f4a56f4ff8854ea1c79f491cc95 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.50 C=CC(C)Nc1cncc(c1)F 00cf567bc0d99804eae156a242a9fdd9 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.50 C=CC(C)Nc1cncc(c1)I e010d915889979386ce0f8a96d23d1c5 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.50 C=CC(C)Nc1cncc(c1)O 3f7c2bb45685133b872e23c48ef8274b [0,1,0,0,0,1|2,0,0]=4 877 B12R1.50 C=CC(C)Oc1cc(ccn1)Br f439854f9feab04a2edef6b71cc6c11c [0,1,0,0,0,1|2,0,0]=4 878 B12R1.50 C=CC(C)Oc1cc(ccn1)C e7add3f067adec3918d7fc18881c942f [0,1,0,0,0,1|2,0,0]=4 879 B12R1.50 C=CC(C)Oc1cc(ccn1)Cl 51ea4c2f046da69c8af4f58690881fc1 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.50 C=CC(C)Oc1cc(ccn1)F 17bed4d37492c11969fa470966f77da0 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.50 C=CC(C)Oc1ccc[n+](c1)[O-] a1f97964f6f6c615b46b35a37fdf5c62 [0,1,0,0,0,1|2,0,0]=4 882 B12R1.50 C=CC(C)Oc1cccc(=O)[nH]1 ca00044894723b31a01864ab0d53bee4 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.50 C=CC(C)Oc1cccc(c1)Br 061aa384811fe6874f4354a54489993a [0,1,0,0,0,1|1,0,0]=3 884 B12R1.50 C=CC(C)Oc1cccc(c1)C 6fc5d680b8a7b77ca09c7ac2e734d59b [0,1,0,0,0,1|1,0,0]=3 885 B12R1.50 C=CC(C)Oc1cccc(c1)Cl e1bc7c6ea2bf46439ff866e30aecdf8a [0,1,0,0,0,1|1,0,0]=3 886 B12R1.50 C=CC(C)Oc1cccc(c1)F ee8ea19a93f332c5650bb3d76d153ac4 [0,1,0,0,0,1|1,0,0]=3 887 B12R1.50 C=CC(C)Oc1cccc(c1)I d2692cc9d9ab858286dea370e7653ffa [0,1,0,0,0,1|1,0,0]=3 888 B12R1.50 C=CC(C)Oc1cccc(c1)S 733b099411120456231bd7839dc39257 [0,1,0,0,0,1|1,0,0]=3 889 B12R1.50 C=CC(C)Oc1cccc(n1)Br c71fc104e9b467f01933d015dfc5a860 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.50 C=CC(C)Oc1cccc(n1)C a264692aa8f415e84a64f0f751c3d3dc [0,1,0,0,0,1|2,0,0]=4 891 B12R1.50 C=CC(C)Oc1cccc(n1)F 94d94b03910235104f3ed2c5bd8f8f67 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.50 C=CC(C)Oc1ccnc(c1)Br 37440ac9bee1c7c2693b2176f82cdd4f [0,1,0,0,0,1|2,0,0]=4 893 B12R1.50 C=CC(C)Oc1ccnc(c1)C b85e6158ef2c93a1d252329158f40167 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.50 C=CC(C)Oc1ccnc(c1)Cl 8b2cc240f3744f565a6d89b14a3c4809 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.50 C=CC(C)Oc1ccnc(c1)F f2bfdef595f23421bd288a95dfdf0e9e [0,1,0,0,0,1|2,0,0]=4 896 B12R1.50 C=CC(C)Oc1cncc(c1)Br cb0caf07b9a05128e6ac05c15402b82d [0,1,0,0,0,1|2,0,0]=4 897 B12R1.50 C=CC(C)Oc1cncc(c1)C 7149a67fa70fe020456f9cf112009455 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.50 C=CC(C)Oc1cncc(c1)Cl f162ac2b23252a660336249c1669f4f8 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.50 C=CC(C)Oc1cncc(c1)F df5d632b51326eae4548be1288ce27b8 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.50 C=CC(C)Oc1cncc(c1)I 4fc941d296a0cc3230befaf8c739d0ad [0,1,0,0,0,1|2,0,0]=4 901 B12R1.50 CC(C#N)Oc1cccc(c1)F 44fccd68f1e0194c7caa821a35a9394a [0,1,0,0,0,1|1,0,1]=4 902 B12R1.50 CC(C=O)Nc1cc(ccn1)Br c2e9081713ed42ddab209778fbfaef22 [0,1,0,0,0,1|1,0,0]=3 903 B12R1.50 CC(C=O)Nc1cc(ccn1)Cl f6476dba64a929a32ac4c1fe1e1c2b34 [0,1,0,0,0,1|1,0,0]=3 904 B12R1.50 CC(C=O)Nc1cc(ccn1)F dc0e5484940b3d6f2b9f4ec362bf074a [0,1,0,0,0,1|1,0,0]=3 905 B12R1.50 CC(C=O)Nc1cc(ccn1)I 0a391d48fd03b7fcf39c8da7f807ee81 [0,1,0,0,0,1|1,0,0]=3 906 B12R1.50 CC(C=O)Nc1cc(cnn1)Br 54552991e9ed63e397e1d999e5eeae53 [0,1,0,0,0,1|2,0,0]=4 907 B12R1.50 CC(C=O)Nc1cc(cnn1)Cl e1b0ae53c1acd3c973acdca84163edf4 [0,1,0,0,0,1|2,0,0]=4 908 B12R1.50 CC(C=O)Nc1cc(ncn1)Br 3124ec83a318de7fe3edb7099202067a [0,1,0,0,0,1|2,0,0]=4 909 B12R1.50 CC(C=O)Nc1cc(ncn1)Cl 1fb86f1286a553e273f6f2afeec7586d [0,1,0,0,0,1|2,0,0]=4 910 B12R1.50 CC(C=O)Nc1cc(ncn1)F cf6cdccb9bd278cba07bc76168ea4f14 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.50 CC(C=O)Nc1cc(ncn1)I e911b4bd5995bab3db917ca918fa73e2 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.50 CC(C=O)Nc1cc[nH]c(=O)n1 b985dba30f15ae59e3acbca7aedadc99 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.50 CC(C=O)Nc1cc[nH]c(=S)c1 3bec6af53e045ef627a5065975085d21 [0,1,0,0,0,1|1,0,0]=3 914 B12R1.50 CC(C=O)Nc1cccc(c1)Br f2452a2cbd15eaf5283760e9e1a5079a [0,1,0,0,0,1|0,0,0]=2 915 B12R1.50 CC(C=O)Nc1cccc(c1)Cl af9d201da575efbff8bc9d5c1ede0d73 [0,1,0,0,0,1|0,0,0]=2 916 B12R1.50 CC(C=O)Nc1cccc(c1)F 4ca02bf8e4fa8b4098f4df1fcabc1da7 [0,1,0,0,0,1|0,0,0]=2 917 B12R1.50 CC(C=O)Nc1cccc(c1)I 6208b1fe44def5d7972460fdcfa448fa [0,1,0,0,0,1|0,0,0]=2 918 B12R1.50 CC(C=O)Nc1cccc(c1)S 4db8eb15336fbb500a0bc9f22e5d5f99 [0,1,0,0,0,1|0,0,0]=2 919 B12R1.50 CC(C=O)Nc1cccc(n1)Br a3ab83f17802c01d8fb944252443ff0c [0,1,0,0,0,1|1,0,0]=3 920 B12R1.50 CC(C=O)Nc1cccc(n1)Cl a773e57ae05d6bd09e27a97220463ec9 [0,1,0,0,0,1|1,0,0]=3 921 B12R1.50 CC(C=O)Nc1cccc(n1)F 0ed996a4cd78b706461d993b4bc1061f [0,1,0,0,0,1|1,0,0]=3 922 B12R1.50 CC(C=O)Nc1cccc(n1)I 47a92d1b5914c7dfc2ac061132ec7882 [0,1,0,0,0,1|1,0,0]=3 923 B12R1.50 CC(C=O)Nc1ccnc(c1)Br 2b719ce501e565b0c33b6095dbc1d4dd [0,1,0,0,0,1|1,0,0]=3 924 B12R1.50 CC(C=O)Nc1ccnc(c1)Cl 94a9e0acf4aa1b9bdd894762cdf7ac36 [0,1,0,0,0,1|1,0,0]=3 925 B12R1.50 CC(C=O)Nc1ccnc(c1)F 116010dfb773e14959b1ea828d7096d8 [0,1,0,0,0,1|1,0,0]=3 926 B12R1.50 CC(C=O)Nc1ccnc(c1)I a65bde6b18897c6f6eaa1a08a27627b0 [0,1,0,0,0,1|1,0,0]=3 927 B12R1.50 CC(C=O)Nc1ccnc(n1)Br 9001b35fe968c0d7d4cecdb17a6ef115 [0,1,0,0,0,1|2,0,0]=4 928 B12R1.50 CC(C=O)Nc1ccnc(n1)Cl 5e9b9c4b6fd4de45486eae11ecf8bbc6 [0,1,0,0,0,1|2,0,0]=4 929 B12R1.50 CC(C=O)Nc1ccnc(n1)F 304fbcd4469a08b571c709a180b6d8f7 [0,1,0,0,0,1|2,0,0]=4 930 B12R1.50 CC(C=O)Nc1ccnc(n1)S 4b45225ba7d3a3871ce958660964440e [0,1,0,0,0,1|2,0,0]=4 931 B12R1.50 CC(C=O)Nc1cn[nH]c(=O)c1 e3c12ee8f07bd5f18327ae246ef50c76 [0,1,0,0,0,1|2,0,0]=4 932 B12R1.50 CC(C=O)Nc1cncc(c1)Br 9355d0edc7be0ad251e7238ec54898e7 [0,1,0,0,0,1|1,0,0]=3 933 B12R1.50 CC(C=O)Nc1cncc(c1)Cl 2a5594a2e0fcd9506ee2a01957b4d38f [0,1,0,0,0,1|1,0,0]=3 934 B12R1.50 CC(C=O)Nc1cncc(c1)F 826ed0cf1f410af5b71c81ff2ed8662c [0,1,0,0,0,1|1,0,0]=3 935 B12R1.50 CC(C=O)Nc1cncc(c1)I fc2093da60bdab97c85a3a371f299423 [0,1,0,0,0,1|1,0,0]=3 936 B12R1.50 CC(C=O)Nc1cncc(n1)Br e6d254c4e6fed23e76997be7a9534e68 [0,1,0,0,0,1|2,0,0]=4 937 B12R1.50 CC(C=O)Nc1cncc(n1)Cl bc9f03ef19e51ceb8f8e33a3d12803a3 [0,1,0,0,0,1|2,0,0]=4 938 B12R1.50 CC(C=O)Nc1cncc(n1)F 1327bbe13cfe87631fceea2cf3759db6 [0,1,0,0,0,1|2,0,0]=4 939 B12R1.50 CC(C=O)Nc1cnnc(c1)Cl 65dbc6b05b4e2bb987046cef7cad4ce2 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.50 CC(C=O)Nc1cnnc(c1)F 62cd79c4075278c71c753786b29f8b48 [0,1,0,0,0,1|2,0,0]=4 941 B12R1.50 CC(C=O)Nc1nccc(=O)[nH]1 4ee7918649f756147ecf52d3a601d69e [0,1,0,0,0,1|2,0,0]=4 942 B12R1.50 CC(C=O)Nc1nccc(n1)Br 16fec4262e2ff3800f7f75fcbb28bb13 [0,1,0,0,0,1|2,0,0]=4 943 B12R1.50 CC(C=O)Nc1nccc(n1)Cl cd19b216a9063b1ff38eb3baad996bbb [0,1,0,0,0,1|2,0,0]=4 944 B12R1.50 CC(C=O)Nc1nccc(n1)F e28164f4c34ccdc276b3d8277d15dfce [0,1,0,0,0,1|2,0,0]=4 945 B12R1.50 CC(C=O)Nc1nccc(n1)I 93fd17450804d719de24dffb9f39e9af [0,1,0,0,0,1|2,0,0]=4 946 B12R1.50 CC(C=O)Nc1nccc(n1)S 46d6902747e51a8e2c258a484f904623 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.50 CC(C=O)Oc1cc(ccn1)Br 7ee55ef14eebd43c093ed168eee97254 [0,1,0,0,0,1|1,0,0]=3 948 B12R1.50 CC(C=O)Oc1cc(ccn1)Cl 8e388f64dcb0cfdaddce3e50db756d16 [0,1,0,0,0,1|1,0,0]=3 949 B12R1.50 CC(C=O)Oc1cc(ccn1)F 31fd7c5cabb09c5b3347e37906c7a3dd [0,1,0,0,0,1|1,0,0]=3 950 B12R1.50 CC(C=O)Oc1cc(ncn1)Br 8b2aa2775740fe9f313f18f33362d3b1 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.50 CC(C=O)Oc1cc(ncn1)Cl 6e3ab0521bd8341fa9c49b3f29477b5d [0,1,0,0,0,1|2,0,0]=4 952 B12R1.50 CC(C=O)Oc1ccc[n+](c1)[O-] 85aa4539ad54a1deb3c16fa3b4d6e835 [0,1,0,0,0,1|1,0,0]=3 953 B12R1.50 CC(C=O)Oc1cccc(=O)[nH]1 86206b56ffdc764fd4dadda518169798 [0,1,0,0,0,1|1,0,0]=3 954 B12R1.50 CC(C=O)Oc1cccc(c1)Br a9c2f4881a7c0f000c1fe302f4c5b143 [0,1,0,0,0,1|0,0,0]=2 955 B12R1.50 CC(C=O)Oc1cccc(c1)Cl e1123cf33b3159cabbda7653b84fb60a [0,1,0,0,0,1|0,0,0]=2 956 B12R1.50 CC(C=O)Oc1cccc(c1)F 2829650fa397b4918f6e2f3d5c5eb02a [0,1,0,0,0,1|0,0,0]=2 957 B12R1.50 CC(C=O)Oc1cccc(c1)I 966ae7a85a7961d21909b80d93ea7491 [0,1,0,0,0,1|0,0,0]=2 958 B12R1.50 CC(C=O)Oc1cccc(c1)S 2aca820ba62d9164093a11f2d93e9a74 [0,1,0,0,0,1|0,0,0]=2 959 B12R1.50 CC(C=O)Oc1cccc(n1)Br 10e5904b9cdddc5b03ae981090b6d1fa [0,1,0,0,0,1|1,0,0]=3 960 B12R1.50 CC(C=O)Oc1cccc(n1)F 5c32951e9bafe76b18c349973f2de5a7 [0,1,0,0,0,1|1,0,0]=3 961 B12R1.50 CC(C=O)Oc1ccnc(c1)Br 378f9585abc50602bc60c70b59948678 [0,1,0,0,0,1|1,0,0]=3 962 B12R1.50 CC(C=O)Oc1ccnc(c1)Cl aa7d12e54ceab43bf2bb88a20a33057a [0,1,0,0,0,1|1,0,0]=3 963 B12R1.50 CC(C=O)Oc1ccnc(c1)F c88b44a465a423ce3ad6fe38a62f80ab [0,1,0,0,0,1|1,0,0]=3 964 B12R1.50 CC(C=O)Oc1ccnc(n1)Cl bc7e21088685d4937a3c32a5b2743f89 [0,1,0,0,0,1|2,0,0]=4 965 B12R1.50 CC(C=O)Oc1cncc(c1)Br 377e437c1775ba59ce0e700b5f009f44 [0,1,0,0,0,1|1,0,0]=3 966 B12R1.50 CC(C=O)Oc1cncc(c1)Cl 71965245c870a9d7b1aa8b2676780437 [0,1,0,0,0,1|1,0,0]=3 967 B12R1.50 CC(C=O)Oc1cncc(c1)F b0767d481477628524e2ca7813cda7e9 [0,1,0,0,0,1|1,0,0]=3 968 B12R1.50 CC(C=O)Oc1cncc(c1)I 9e8ec00c8ff82a2745efc404ae5230bf [0,1,0,0,0,1|1,0,0]=3 969 B12R1.50 CC(C=O)Oc1cncc(n1)Br 8963b4cbf925675d7f1e83aaf9823119 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.50 CC(C=O)Oc1cncc(n1)Cl 82af33b66a28c2bdef81d6c4fada91e9 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.50 CC(C=O)Oc1cnnc(c1)Cl 241c9fdfdef2b6ad32a1b6e0c61a3bb0 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.50 CC(C=O)Oc1nccc(n1)Cl 49e70f683e058de7663b7826d2811da4 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.50 CC(C=O)Oc1nccc(n1)S 4414138fc5c2c3f79b426cde26512134 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.50 CC(CO)Nc1cccc(c1)Br 576ec4f6677be1f0394edeaf258b38fe [0,1,0,0,0,1|0,0,2]=4 975 B12R1.50 CC(CO)Nc1cccc(c1)Cl bd22220cbe1e26dbecd73c43bc0875f8 [0,1,0,0,0,1|0,0,2]=4 976 B12R1.50 CC(CO)Nc1cccc(c1)F 61b69c3784d43bb9b9681ef8141ee922 [0,1,0,0,0,1|0,0,2]=4 977 B12R1.50 CC(CO)Nc1cccc(c1)I 6634a846fe603d296254a7ec9e7b692c [0,1,0,0,0,1|0,0,2]=4 978 B12R1.50 CCC(C)Nc1cccc(c1)Br 1d66578ce06ff9734ac9091e085e6a07 [0,1,0,0,0,1|1,0,1]=4 979 B12R1.50 CCC(C)Nc1cccc(c1)C d7cf6e3b62030f874de6f1eb9d16cf4f [0,1,0,0,0,1|1,0,1]=4 980 B12R1.50 CCC(C)Nc1cccc(c1)Cl 08bdcd143bf3141bf35886f1a7a48241 [0,1,0,0,0,1|1,0,1]=4 981 B12R1.50 CCC(C)Nc1cccc(c1)F abc1ee7f668b8358dc6ca8fd4a50a6d5 [0,1,0,0,0,1|1,0,1]=4 982 B12R1.50 CCC(C)Nc1cccc(c1)I bc6d04f9805b80597b81c6888c542900 [0,1,0,0,0,1|1,0,1]=4 983 B12R1.50 CCC(C)Nc1cccc(c1)S 2cd18a9ced79be6a90be5bf41232bef9 [0,1,0,0,0,1|1,0,1]=4 984 B12R1.50 CCC(C)Oc1cccc(c1)Br 11f5b596601cd571c59ff2afebc8ce7a [0,1,0,0,0,1|1,0,1]=4 985 B12R1.50 CCC(C)Oc1cccc(c1)C 9cbbc47209d16c8e877df0d39e5bcab2 [0,1,0,0,0,1|1,0,1]=4 986 B12R1.50 CCC(C)Oc1cccc(c1)Cl 3dfa34a86dfbb1225b2fc77d38aaa045 [0,1,0,0,0,1|1,0,1]=4 987 B12R1.50 CCC(C)Oc1cccc(c1)F 11c1cebedbe6e61c8d433bebe0c72b96 [0,1,0,0,0,1|1,0,1]=4 988 B12R1.50 CCC(C)Oc1cccc(c1)I 7ed5e0b105802053e06ca681572fa199 [0,1,0,0,0,1|1,0,1]=4 989 B12R1.50 CCC(C)Oc1cccc(c1)S 4218a788a21d0fc160d2648a272c1309 [0,1,0,0,0,1|1,0,1]=4 990 B12R1.50 CC[C@@H](C)Nc1cccc(c1)C 45d939f81c7b7d38cc39ca453cc6d8b9 [0,1,0,0,0,1|1,0,1]=4 991 B12R1.50 CC[C@H](C)Nc1cccc(c1)C 5181036d0ad680b57bb138220216ae0c [0,1,0,0,0,1|1,0,1]=4 992 B12R1.50 CN(C=O)Cc1cc(ccn1)Cl ec9cbf3758162a86020967befac156ee [0,1,0,0,0,1|2,0,0]=4 993 B12R1.50 CN(C=O)Cc1cccc(c1)Br 21c9904b6931c694f1576efcd4d1d0e7 [0,1,0,0,0,1|1,0,0]=3 994 B12R1.50 CN(C=O)Cc1cccc(c1)Cl debbcedb339572221fdba68971be3703 [0,1,0,0,0,1|1,0,0]=3 995 B12R1.50 CN(C=O)Cc1cccc(c1)F 1b625a2b8b477568670768dc96d54b2a [0,1,0,0,0,1|1,0,0]=3 996 B12R1.50 CN(C=O)Cc1cccc(c1)I f5eb352e75a1740e74adf6e70b18f3a6 [0,1,0,0,0,1|1,0,0]=3 997 B12R1.50 CN(C=O)Cc1cccc(c1)O f88c2fadc3fc25b3f5d4cb7cb0a5788a [0,1,0,0,0,1|1,0,0]=3 998 B12R1.50 CN(C=O)Cc1cccc(n1)Br 3ca7c0da6755b324a1f0ce8f37bf410a [0,1,0,0,0,1|2,0,0]=4 999 B12R1.50 CN(C=O)Cc1ccnc(c1)Cl 3cdc4954b0c9d7fdd98d4306d8674a06 [0,1,0,0,0,1|2,0,0]=4 1000 B12R1.50 CN(C=O)Cc1cncc(c1)Br f607e882739db242cea07c1b2a923b5a [0,1,0,0,0,1|2,0,0]=4 1001 B12R1.50 CN(C=O)Cc1cncc(c1)F 460844f8e2931bfd3d775f9189406365 [0,1,0,0,0,1|2,0,0]=4 1002 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Br e12c135b7138e7c817f229b4b8639d64 [0,1,0,0,0,1|0,0,2]=4 1003 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Cl b6aa20cbf8f24853667a022c40a8057e [0,1,0,0,0,1|0,0,2]=4 1004 B12R1.50 C[C@@H](CO)Nc1cccc(c1)F c93de07c16abf3a73ffced01d0a7bfc9 [0,1,0,0,0,1|0,0,2]=4 1005 B12R1.50 C[C@@H](CO)Nc1cccc(c1)I 63762b133b4c8dcbd72ab2f4bdb23f98 [0,1,0,0,0,1|0,0,2]=4 1006 B12R1.50 C[C@H](C=O)Nc1cc(ccn1)Br b0e6ee2822e84708be9a4c7ac32cb08d [0,1,0,0,0,1|1,0,0]=3 1007 B12R1.50 C[C@H](C=O)Nc1cc(ccn1)Cl 307f89a1d21c957e28cd3c10220c6447 [0,1,0,0,0,1|1,0,0]=3 1008 B12R1.50 C[C@H](C=O)Nc1cc(ccn1)F b3fafd2d629ab9bc2f17c40afd4d1e26 [0,1,0,0,0,1|1,0,0]=3 1009 B12R1.50 C[C@H](C=O)Nc1cc(ccn1)I cbc4971768024f3a6033c8a1fc5541f5 [0,1,0,0,0,1|1,0,0]=3 1010 B12R1.50 C[C@H](C=O)Nc1cc(cnn1)Br 53dda2c5a84927e7607b25f0038e4fad [0,1,0,0,0,1|2,0,0]=4 1011 B12R1.50 C[C@H](C=O)Nc1cc(cnn1)Cl 91118ad75ef8207227f25b4c548d950b [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.50 C[C@H](C=O)Nc1cc(ncn1)Br e762ed48dbdf7280da929e0541f98e74 [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.50 C[C@H](C=O)Nc1cc(ncn1)Cl b700cdee471ad0802d88725c3778a45e [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.50 C[C@H](C=O)Nc1cc(ncn1)F 56d331203b0d8e03a5af9396b5e928bb [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.50 C[C@H](C=O)Nc1cc(ncn1)I 07fab0c3281181f18ff1939baf8cf1f3 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.50 C[C@H](C=O)Nc1cc[nH]c(=O)n1 1d3d8f6d516bef9bd0d55d9d8d8f713b [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.50 C[C@H](C=O)Nc1cc[nH]c(=S)c1 30ea7458e4c0795a3e612a20b9835b24 [0,1,0,0,0,1|1,0,0]=3 1018 B12R1.50 C[C@H](C=O)Nc1cccc(c1)Br 083601a8b5d1468987a5fe1a05f529aa [0,1,0,0,0,1|0,0,0]=2 1019 B12R1.50 C[C@H](C=O)Nc1cccc(c1)Cl 032dff0b15fdb585d7922a79bffbc562 [0,1,0,0,0,1|0,0,0]=2 1020 B12R1.50 C[C@H](C=O)Nc1cccc(c1)F eb63d3b593067c2ccb99e1c9d5ffa6ce [0,1,0,0,0,1|0,0,0]=2 1021 B12R1.50 C[C@H](C=O)Nc1cccc(c1)I bb10bc6fc96a9c8917286b83e5ad4952 [0,1,0,0,0,1|0,0,0]=2 1022 B12R1.50 C[C@H](C=O)Nc1cccc(c1)S 36abae26da95bc764c748d120882e1e3 [0,1,0,0,0,1|0,0,0]=2 1023 B12R1.50 C[C@H](C=O)Nc1cccc(n1)Br 164898cd703fd53ed8e6f25161acfad0 [0,1,0,0,0,1|1,0,0]=3 1024 B12R1.50 C[C@H](C=O)Nc1cccc(n1)Cl da8a400a6edb522535f5408a9cb12eba [0,1,0,0,0,1|1,0,0]=3 1025 B12R1.50 C[C@H](C=O)Nc1cccc(n1)F 5078a43bdd4335449006f10738b7d80b [0,1,0,0,0,1|1,0,0]=3 1026 B12R1.50 C[C@H](C=O)Nc1cccc(n1)I 9ab2b8636be613a29851bc4a3da18dc2 [0,1,0,0,0,1|1,0,0]=3 1027 B12R1.50 C[C@H](C=O)Nc1ccnc(c1)Br d5ea87d584f7308c2eeb975a7913c69f [0,1,0,0,0,1|1,0,0]=3 1028 B12R1.50 C[C@H](C=O)Nc1ccnc(c1)Cl ff13a2cb918eabcf688d1e00792c1255 [0,1,0,0,0,1|1,0,0]=3 1029 B12R1.50 C[C@H](C=O)Nc1ccnc(c1)F 441aa034f655003a1ad595ad94528153 [0,1,0,0,0,1|1,0,0]=3 1030 B12R1.50 C[C@H](C=O)Nc1ccnc(c1)I a38b88e24a41193121ead83f24ecdf13 [0,1,0,0,0,1|1,0,0]=3 1031 B12R1.50 C[C@H](C=O)Nc1ccnc(n1)Br f93cda1a2954e530c57d302bbc0dfe6c [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.50 C[C@H](C=O)Nc1ccnc(n1)Cl 301158bf3972b042f8de93a5c379541a [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.50 C[C@H](C=O)Nc1ccnc(n1)F 0d228d17f77dd499719c2b599550c539 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.50 C[C@H](C=O)Nc1ccnc(n1)S 1f33d1b78fcefe2a8e9bc9bfcd44437b [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.50 C[C@H](C=O)Nc1cn[nH]c(=O)c1 ffd662d4f1de83147665734597a87407 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.50 C[C@H](C=O)Nc1cncc(c1)Br 9362c6bebb44d5a7d43b9e2de513c6b3 [0,1,0,0,0,1|1,0,0]=3 1037 B12R1.50 C[C@H](C=O)Nc1cncc(c1)Cl f8f82560d15c8b83bb608b1b626896ba [0,1,0,0,0,1|1,0,0]=3 1038 B12R1.50 C[C@H](C=O)Nc1cncc(c1)F 0e1388f9ff997b43be4caf0d04ce020a [0,1,0,0,0,1|1,0,0]=3 1039 B12R1.50 C[C@H](C=O)Nc1cncc(c1)I 0faa607de2635ff12533a104cf23af1c [0,1,0,0,0,1|1,0,0]=3 1040 B12R1.50 C[C@H](C=O)Nc1cncc(n1)Br 7e833e3bd79ca8541cccd3902b09a884 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.50 C[C@H](C=O)Nc1cncc(n1)Cl b2ee9c595466b5b5157e9e373f8a9820 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.50 C[C@H](C=O)Nc1cncc(n1)F f25e231a2a98bdfda0ab40d20789765a [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.50 C[C@H](C=O)Nc1cnnc(c1)Cl 3bebb71bcb116c22ba022b5c08a76203 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.50 C[C@H](C=O)Nc1cnnc(c1)F ec1ea22accd685e76924e66f89b502b0 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.50 C[C@H](C=O)Nc1nccc(=O)[nH]1 e6f7acce835bc63a9ef18088d1dedc0c [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.50 C[C@H](C=O)Nc1nccc(n1)Br b377cf1afce2e887eb8dbbc540881db4 [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.50 C[C@H](C=O)Nc1nccc(n1)Cl 34a35b5b6ae26cbf81ddcd716af9a07d [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.50 C[C@H](C=O)Nc1nccc(n1)F b057a7227d1ebce03270e23858256aea [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.50 C[C@H](C=O)Nc1nccc(n1)I 7e8a0e7fa9feb06673e7f47b41a7dbd1 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.50 C[C@H](C=O)Nc1nccc(n1)S fa1a2530719b314dadf5fedf316d3116 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.50 C[C@H](C=O)Oc1cc(ccn1)Br c914581255a0ff83ee1e191d8fbfbeb8 [0,1,0,0,0,1|1,0,0]=3 1052 B12R1.50 C[C@H](C=O)Oc1cc(ccn1)Cl 063f7d50fd07561db9a0148dd6ae4068 [0,1,0,0,0,1|1,0,0]=3 1053 B12R1.50 C[C@H](C=O)Oc1cc(ccn1)F 1d1f93360ea85ddd393b94760a46e6ed [0,1,0,0,0,1|1,0,0]=3 1054 B12R1.50 C[C@H](C=O)Oc1cc(ncn1)Br aaa8aac2fbcd70c7bcb792130d6afa6d [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.50 C[C@H](C=O)Oc1cc(ncn1)Cl 9465f57e3697b6993b78b93b511d69fc [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.50 C[C@H](C=O)Oc1ccc[n+](c1)[O-] cacfbc9989e9d58983b9fcbe8cd2e798 [0,1,0,0,0,1|1,0,0]=3 1057 B12R1.50 C[C@H](C=O)Oc1cccc(=O)[nH]1 49ef07ab1c3be81219f5780d97a5715c [0,1,0,0,0,1|1,0,0]=3 1058 B12R1.50 C[C@H](C=O)Oc1cccc(c1)Br 6c41dd25360830863ab22820c77d7a3a [0,1,0,0,0,1|0,0,0]=2 1059 B12R1.50 C[C@H](C=O)Oc1cccc(c1)Cl dc463853b8988ce2d5693baeb1e4cec3 [0,1,0,0,0,1|0,0,0]=2 1060 B12R1.50 C[C@H](C=O)Oc1cccc(c1)F 9836fe66edbb8107689dea18a60ad543 [0,1,0,0,0,1|0,0,0]=2 1061 B12R1.50 C[C@H](C=O)Oc1cccc(c1)I ff214e29b24c8d9ed5da5db7b46e5329 [0,1,0,0,0,1|0,0,0]=2 1062 B12R1.50 C[C@H](C=O)Oc1cccc(c1)S ddfedaf23551abf86e0b90e82f9c9fe7 [0,1,0,0,0,1|0,0,0]=2 1063 B12R1.50 C[C@H](C=O)Oc1cccc(n1)Br 9b3cbfccbebbf0382dd43e2a4bd58cc6 [0,1,0,0,0,1|1,0,0]=3 1064 B12R1.50 C[C@H](C=O)Oc1cccc(n1)F b42bbe9b6fff33bdcd648be0f89a51de [0,1,0,0,0,1|1,0,0]=3 1065 B12R1.50 C[C@H](C=O)Oc1ccnc(c1)Br 8699c45af18a05ec4a47266af34fadf0 [0,1,0,0,0,1|1,0,0]=3 1066 B12R1.50 C[C@H](C=O)Oc1ccnc(c1)Cl b2c9f5f927effa6b5603918d52b4892d [0,1,0,0,0,1|1,0,0]=3 1067 B12R1.50 C[C@H](C=O)Oc1ccnc(c1)F 1810aa9f389d116a167c974c53b5dfa7 [0,1,0,0,0,1|1,0,0]=3 1068 B12R1.50 C[C@H](C=O)Oc1ccnc(n1)Cl 145cb0a47124f99ec87e6004e35ef286 [0,1,0,0,0,1|2,0,0]=4 1069 B12R1.50 C[C@H](C=O)Oc1cncc(c1)Br c0cf3a7663529a18ba660e59294dccad [0,1,0,0,0,1|1,0,0]=3 1070 B12R1.50 C[C@H](C=O)Oc1cncc(c1)Cl 89910438d683591e3f796dfe24e749a7 [0,1,0,0,0,1|1,0,0]=3 1071 B12R1.50 C[C@H](C=O)Oc1cncc(c1)F 049d8378ae392791c653ba9b5c037cfb [0,1,0,0,0,1|1,0,0]=3 1072 B12R1.50 C[C@H](C=O)Oc1cncc(c1)I 5c8d98e528c9632bdb24943aa1f8cbb8 [0,1,0,0,0,1|1,0,0]=3 1073 B12R1.50 C[C@H](C=O)Oc1cncc(n1)Br 34b221028f2fe51e9019dd4002448e30 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.50 C[C@H](C=O)Oc1cncc(n1)Cl 13052e1c995fd698b9b7ecdad59dfe19 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.50 C[C@H](C=O)Oc1cnnc(c1)Cl e07f357d085b98f896e784ce017268d2 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.50 C[C@H](C=O)Oc1nccc(n1)Cl b3dde45d427f62c52af867ea5da071e1 [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.50 C[C@H](C=O)Oc1nccc(n1)S c4205cded8a6d73b0c104d808449968c [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.50 C[C@H](CO)Nc1cccc(c1)Br caa603dbf3d611872408e6a5a99c2208 [0,1,0,0,0,1|0,0,2]=4 1079 B12R1.50 C[C@H](CO)Nc1cccc(c1)Cl d80340fe9b92189a6899bc5d360147f0 [0,1,0,0,0,1|0,0,2]=4 1080 B12R1.50 C[C@H](CO)Nc1cccc(c1)F 8c3d08c899d303dc21916719c2ded833 [0,1,0,0,0,1|0,0,2]=4 1081 B12R1.50 C[C@H](CO)Nc1cccc(c1)I e332daa1e085ab96b6afa02650eceef0 [0,1,0,0,0,1|0,0,2]=4 1082 B12R1.50 Cc1cc(ccn1)CN(C)C=O e3b4b997603a6c4f649270632427d4d7 [0,1,0,0,0,1|2,0,0]=4 1083 B12R1.50 Cc1cc(ccn1)NC(C)C=O 1ac51159f8abbda8c46c6ad4ba6a0814 [0,1,0,0,0,1|1,0,0]=3 1084 B12R1.50 Cc1cc(ccn1)N[C@H](C)C=O 0354bb0657b187891d25272f1b2921e4 [0,1,0,0,0,1|1,0,0]=3 1085 B12R1.50 Cc1cc(ccn1)OC(C)C=O 94a1b1b5dfc6981581263ca9680d5857 [0,1,0,0,0,1|1,0,0]=3 1086 B12R1.50 Cc1cc(ccn1)O[C@H](C)C=O f836b3f382618680bad77d3e316cc40b [0,1,0,0,0,1|1,0,0]=3 1087 B12R1.50 Cc1cc(ncn1)NC(C)C=O 0c7f0e72171288e8ed10c747fd6f2fc1 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.50 Cc1cc(ncn1)N[C@H](C)C=O 3287e81e243680d81df4602508dfd179 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.50 Cc1cc(ncn1)OC(C)C=O 2000f7726a520bf0ae8e5b8b054882eb [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.50 Cc1cc(ncn1)O[C@H](C)C=O 54337bf536a1a588283b281a81e4e582 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.50 Cc1cccc(c1)CN(C)C=O 7f4e2f766af9fb32c89907782640d642 [0,1,0,0,0,1|1,0,0]=3 1092 B12R1.50 Cc1cccc(c1)NC(=O)C=O 04381f8f7ac23bd03987503a439afe38 [0,1,0,0,0,1|1,0,1]=4 1093 B12R1.50 Cc1cccc(c1)NC(C)C#N 4bd8056079d7da9e28c790c42218480c [0,1,0,0,0,1|1,0,1]=4 1094 B12R1.50 Cc1cccc(c1)NC(C)C=O eca6f76da047c93133bb245dabe5fccb [0,1,0,0,0,1|0,0,0]=2 1095 B12R1.50 Cc1cccc(c1)NC(C)CO c23f82ac252bf3ee5441826bde19dba5 [0,1,0,0,0,1|0,0,2]=4 1096 B12R1.50 Cc1cccc(c1)N[C@@H](C)CO b575cd99ac56e48b2608cbaccd98fff4 [0,1,0,0,0,1|0,0,2]=4 1097 B12R1.50 Cc1cccc(c1)N[C@H](C)C=O c0883182e06d03226ebddbbf9cf0d21c [0,1,0,0,0,1|0,0,0]=2 1098 B12R1.50 Cc1cccc(c1)N[C@H](C)CO 8c38b6b94b7f7840ff18f43638e4f1b0 [0,1,0,0,0,1|0,0,2]=4 1099 B12R1.50 Cc1cccc(c1)OC(C)C=O 14ed5d138f551f09a5df132aed282b02 [0,1,0,0,0,1|0,0,0]=2 1100 B12R1.50 Cc1cccc(c1)O[C@H](C)C=O 456d5631144eafb2228656abebd5c525 [0,1,0,0,0,1|0,0,0]=2 1101 B12R1.50 Cc1cccc(n1)CN(C)C=O 3281b7fd78359b7634177c7cfae85f90 [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.50 Cc1cccc(n1)NC(C)C=O dce4d1919fa605d890ed4cce740ea36d [0,1,0,0,0,1|1,0,0]=3 1103 B12R1.50 Cc1cccc(n1)N[C@H](C)C=O fd7b368eb79b70997252331f9cf3e4d1 [0,1,0,0,0,1|1,0,0]=3 1104 B12R1.50 Cc1cccc(n1)OC(C)C=O 29b8b8d01f683373da9311ecf9aecdd1 [0,1,0,0,0,1|1,0,0]=3 1105 B12R1.50 Cc1cccc(n1)O[C@H](C)C=O e7ad74965e42692dea93967fed153496 [0,1,0,0,0,1|1,0,0]=3 1106 B12R1.50 Cc1ccnc(c1)CN(C)C=O df39001c5abea9e3f24ec884ca490e84 [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.50 Cc1ccnc(c1)NC(C)C=O 5eea0242ce4b4bd6764679b0321b8350 [0,1,0,0,0,1|1,0,0]=3 1108 B12R1.50 Cc1ccnc(c1)N[C@H](C)C=O 9f7dcb3ecea276af50b704c53427a4ec [0,1,0,0,0,1|1,0,0]=3 1109 B12R1.50 Cc1ccnc(c1)OC(C)C=O edb6133341352a9d98f23b87ab59236b [0,1,0,0,0,1|1,0,0]=3 1110 B12R1.50 Cc1ccnc(c1)O[C@H](C)C=O 3c72084d1ad98da810f8a34d1a99a2b0 [0,1,0,0,0,1|1,0,0]=3 1111 B12R1.50 Cc1ccnc(n1)NC(C)C=O d91e0faf4104bc665fae835b6d768406 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.50 Cc1ccnc(n1)N[C@H](C)C=O 898c817f69475efc2f34a3cf8a9c260e [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.50 Cc1cncc(c1)NC(C)C=O 7c7a3ec92d25ae1aa78e568b8ee2d023 [0,1,0,0,0,1|1,0,0]=3 1114 B12R1.50 Cc1cncc(c1)N[C@H](C)C=O 6928e99dfc5a5216c2ea2c41964755ce [0,1,0,0,0,1|1,0,0]=3 1115 B12R1.50 Cc1cncc(c1)OC(C)C=O 0228620b5b506e17433ff41f00ed0ddb [0,1,0,0,0,1|1,0,0]=3 1116 B12R1.50 Cc1cncc(c1)O[C@H](C)C=O 96d123c7b587bc9d4a326f4100c7d8ab [0,1,0,0,0,1|1,0,0]=3 1117 B12R1.50 Cc1cncc(n1)NC(C)C=O a1a60b4a9e3bd328acb442efa0c93f3f [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.50 Cc1cncc(n1)N[C@H](C)C=O 922694972579b2d1c6aff00e9b655e62 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.50 Cc1cncc(n1)OC(C)C=O 97c0de3b98e3e9070662019378acefc5 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.50 Cc1cncc(n1)O[C@H](C)C=O c440a3bf615a676dbf9bc92f3ebd44f4 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.50 Cc1cnnc(c1)NC(C)C=O 6477bf58ddf9889ccca9902028affb25 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.50 Cc1cnnc(c1)N[C@H](C)C=O 8864ccee4795cb7af925924ce67018af [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.50 Cc1nccc(n1)NC(C)C=O 8a0405a6591628b45679cb8b3268fd59 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.50 Cc1nccc(n1)N[C@H](C)C=O 54248b97c4c42f791b6370a410486235 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.50 Cc1nccc(n1)OC(C)C=O a052134b1fe012d562c1e739f931e869 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.50 Cc1nccc(n1)O[C@H](C)C=O cd111f50b099af2bdb12e35103f62e13 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.50 O=CC(=O)Nc1cccc(c1)Br 0b4d429061eefcff1344b8d5ae8afff5 [0,1,0,0,0,1|1,0,1]=4 1128 B12R1.50 O=CC(=O)Nc1cccc(c1)Cl 63429975e665bf674ac66611a432dda3 [0,1,0,0,0,1|1,0,1]=4 1129 B12R1.50 O=CC(=O)Nc1cccc(c1)F 9d11cf99004061f4a772307f1c1aff3e [0,1,0,0,0,1|1,0,1]=4 1130 B12R1.50 O=CC(=O)Nc1cccc(c1)I 4b62538f6251945ca73e3de6c44c610f [0,1,0,0,0,1|1,0,1]=4 1131 B12R1.50 O=CC(=O)Nc1cccc(c1)O 9b1fdea8e7c547705fd265adf6658af8 [0,1,0,0,0,1|1,0,1]=4 1132 B12R1.50 O=CC(=O)Nc1cccc(c1)S 31c8e468e4a29d9e0cb8e8f730db1296 [0,1,0,0,0,1|1,0,1]=4 1133 B12R1.118 C=C[C@@H](CO)Nc1ccccc1 1f3da2dad53331dc21e491e025398272 [0,1,0,0,0,1|1,0,0]=3 1134 B12R1.118 C=C[C@@H](CO)Nc1ccccn1 b329b423406d8ba6908d52526853a73b [0,1,0,0,0,1|2,0,0]=4 1135 B12R1.118 C=C[C@@H](CO)Nc1cccnc1 e51b5e6d78d7e3ae98dec5257b614433 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.118 C=C[C@@H](CO)Nc1ccncc1 0cca62338f5382a964f2dec3552b9a47 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,1,0,0,0,1|0,0,0]=2 1138 B12R1.118 CCC(C=O)Nc1ccccn1 2aca9ef2fc34cfed6c8d70ea766b8b1c [0,1,0,0,0,1|1,0,0]=3 1139 B12R1.118 CCC(C=O)Nc1cccnc1 f2a28a3fdb0a09f8d451d38ec59b2c1d [0,1,0,0,0,1|1,0,0]=3 1140 B12R1.118 CCC(C=O)Nc1cccnn1 62881014342741b371e74126b61abe1c [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.118 CCC(C=O)Nc1ccncc1 d2ebcd5e369abce24181da19b91725a5 [0,1,0,0,0,1|1,0,0]=3 1142 B12R1.118 CCC(C=O)Nc1ccncn1 4d8972b2d05970f6fb819f9a9878e3ee [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.118 CCC(C=O)Nc1ccnnc1 60831c00210a90df9b249a3c061781f4 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.118 CCC(C=O)Nc1cnccn1 99341b63d81bd616ce7085e1f91625d0 [0,1,0,0,0,1|2,0,0]=4 1145 B12R1.118 CCC(C=O)Nc1cncnc1 8db2bbe29abb0edd22ae16792edfb668 [0,1,0,0,0,1|2,0,0]=4 1146 B12R1.118 CCC(C=O)Nc1ncccn1 892e77c0ce05db55e2ad95bb8670de98 [0,1,0,0,0,1|2,0,0]=4 1147 B12R1.118 CCC(C=O)Oc1ccccn1 c237ce22bb3dec565cc31430edd943de [0,1,0,0,0,1|1,0,0]=3 1148 B12R1.118 CCC(C=O)Oc1cccnc1 c02ea9913f6b45411de0698448d19ec4 [0,1,0,0,0,1|1,0,0]=3 1149 B12R1.118 CCC(C=O)Oc1ccncc1 000035e8d103b4bb731e93fa27796c45 [0,1,0,0,0,1|1,0,0]=3 1150 B12R1.118 CCC(C=O)Oc1ccnnc1 60ab764da4899e248f9c94d40d555d71 [0,1,0,0,0,1|2,0,0]=4 1151 B12R1.118 CCC(C=O)Oc1cnccn1 2f3bcf80a6c1a1ba60095979b052dbc0 [0,1,0,0,0,1|2,0,0]=4 1152 B12R1.118 CCC(C=O)Oc1cncnc1 6ea44e2e90ff001fe380f98d1aa461d5 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.118 CCC(C=O)Oc1ncccn1 7e0a6132f66626159f30fe44ad1e5823 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [0,1,0,0,0,1|1,0,1]=4 1155 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [0,1,0,0,0,1|0,0,2]=4 1156 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [0,1,0,0,0,1|1,0,0]=3 1157 B12R1.118 CCN(C=O)Cc1ccccn1 b215252a15e4b5709b8ee0b7a35e4b18 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.118 CCN(C=O)Cc1cccnc1 30cfe04dc8c3ff4b94dfef66857a2c80 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.118 CCN(C=O)Cc1ccncc1 4059e58ff4f4431f111167a395386acb [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [0,1,0,0,0,1|0,0,2]=4 1161 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [0,1,0,0,0,1|0,0,2]=4 1162 B12R1.118 N#CC(C=O)Nc1ccccn1 8a4ff3d866d910cd21cdd08d70e78794 [0,1,0,0,0,1|1,0,1]=4 1163 B12R1.118 N#CC(C=O)Nc1cccnc1 5a931a47a7d5274af8601a87249f4182 [0,1,0,0,0,1|1,0,1]=4 1164 B12R1.118 N#CC(C=O)Nc1ccncc1 0b38cc5921918ba0ef20b48e550e61db [0,1,0,0,0,1|1,0,1]=4 1165 B12R1.118 N#CC(C=O)Oc1ccccn1 21794445934de34e6f66e1e356dac608 [0,1,0,0,0,1|1,0,1]=4 1166 B12R1.118 N#CC(C=O)Oc1cccnc1 9055758cec1ae56e5774682e7532fe45 [0,1,0,0,0,1|1,0,1]=4 1167 B12R1.118 N#CC(C=O)Oc1ccncc1 6eb6c49bbd0c320b364b473c127fdfd6 [0,1,0,0,0,1|1,0,1]=4 1168 B12R1.118 O=CC(C=O)Nc1ccccc1 523bb489c9b7b5e8bfe051ff9eafd67e [0,1,0,0,0,1|0,0,1]=3 1169 B12R1.118 O=CC(C=O)Nc1ccccn1 14c6262cdfec7b4e12e104e19924565e [0,1,0,0,0,1|1,0,1]=4 1170 B12R1.118 O=CC(C=O)Nc1cccnc1 7e2c912e0d253f2b99a55cb3fa392450 [0,1,0,0,0,1|1,0,1]=4 1171 B12R1.118 O=CC(C=O)Nc1ccncc1 0458cc633f68b30a672fa3d601b182c9 [0,1,0,0,0,1|1,0,1]=4 1172 B12R1.118 O=CC(C=O)Oc1ccccn1 f67698a50a38066d9d458cccf60ff1ef [0,1,0,0,0,1|1,0,1]=4 1173 B12R1.118 O=CC(C=O)Oc1cccnc1 1e0a90c08c18289efa90309f550a299a [0,1,0,0,0,1|1,0,1]=4 1174 B12R1.118 O=CC(C=O)Oc1ccncc1 5d02369b46340c94279da5770c1be124 [0,1,0,0,0,1|1,0,1]=4 1175 B12R1.118 OCC(CO)Nc1ccccc1 c6d188a322ff4dea1d0ad1799b765f49 [0,1,0,0,0,1|0,0,2]=4 1176 B12R1.194 CC(C)(CF)Nc1ccccc1 b6beb5eadcdeb337f0158c8ad0d8b555 [0,1,0,0,0,1|1,0,1]=4 1177 B12R1.194 CC(C)(CO)Nc1ccccc1 30670d11326256bdda695fca46d82a64 [0,1,0,0,0,1|0,0,2]=4 1178 B12R1.194 CCC(C)(C)Nc1ccccc1 17a09be9f9cdec5da28d382a8493f798 [0,1,0,0,0,1|1,0,1]=4 1179 B12R1.371 C#CC(C)Oc1ccccc1Cl c499b2c268b344f7f39d17baa4e75222 [0,1,0,0,0,1|1,0,1]=4 1180 B12R1.371 C=CC(C)Nc1c[nH]ccc1=O edb4486d156eb8fcde7596b4967659ec [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.371 C=CC(C)Nc1ccc[nH]c1=O ecc9232d2808d33bf95fe8fec5f32ed1 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.371 C=CC(C)Nc1ccc[nH]c1=S f23e3d42b8857ebbde7f824d6fb2748f [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.371 C=CC(C)Nc1cccc[n+]1[O-] 4d5c0836722681d7da668008c8475608 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.371 C=CC(C)Nc1ccccc1Br 9aa7dcdb979f22631ed342e430b7eb29 [0,1,0,0,0,1|1,0,0]=3 1185 B12R1.371 C=CC(C)Nc1ccccc1C 3819244229258fc301aca1e6a88a588f [0,1,0,0,0,1|1,0,0]=3 1186 B12R1.371 C=CC(C)Nc1ccccc1Cl 4faf2b0f4270d1b890d93fbfbd7a3518 [0,1,0,0,0,1|1,0,0]=3 1187 B12R1.371 C=CC(C)Nc1ccccc1F e8e45126e3231c429310853e310aabff [0,1,0,0,0,1|1,0,0]=3 1188 B12R1.371 C=CC(C)Nc1ccccc1I d8537acd5e833b5d3791dc157f4ad423 [0,1,0,0,0,1|1,0,0]=3 1189 B12R1.371 C=CC(C)Nc1ccccc1S 1f429ddb4b31c1001534d7e703b3d027 [0,1,0,0,0,1|1,0,0]=3 1190 B12R1.371 C=CC(C)Nc1cccnc1Br 55c6fe60b2b37a14dc6173089ebb5456 [0,1,0,0,0,1|2,0,0]=4 1191 B12R1.371 C=CC(C)Nc1cccnc1C 88c5613c9c10ad992a8d9896ed8a0fd6 [0,1,0,0,0,1|2,0,0]=4 1192 B12R1.371 C=CC(C)Nc1cccnc1Cl 207613db2f6582d968ee27191995c476 [0,1,0,0,0,1|2,0,0]=4 1193 B12R1.371 C=CC(C)Nc1cccnc1F 6d02db16ab6da09f9c9d9993735b332b [0,1,0,0,0,1|2,0,0]=4 1194 B12R1.371 C=CC(C)Nc1cccnc1I fd6e1a90a003bb50f880b205ffff3f82 [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.371 C=CC(C)Nc1ccncc1Br 0425e80c07d825ca37e0b8dcc4d9c101 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.371 C=CC(C)Nc1ccncc1C a875f8ae313d2b2257110f8985b15348 [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.371 C=CC(C)Nc1ccncc1Cl 7d72449b4cca9f797d96d8aa65f86e60 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.371 C=CC(C)Nc1ccncc1F 098a49046620ae3db537c8da07185182 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.371 C=CC(C)Nc1ccncc1I 92a9d70423d5c935d5a6e2b6521f944c [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.371 C=CC(C)Nc1cnccc1Br e50d8f59b58429e0906fec40c049d881 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.371 C=CC(C)Nc1cnccc1C 1f2c336ba267d139f0f6cf603a1998bb [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.371 C=CC(C)Nc1cnccc1Cl 6c67d357d90111f98195e8d7eb1a86ea [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.371 C=CC(C)Nc1cnccc1F da3fea7cfd0d806aa8a35d4330e607c6 [0,1,0,0,0,1|2,0,0]=4 1204 B12R1.371 C=CC(C)Nc1cnccc1I 9a09543d5d750a334c12f322f07c3085 [0,1,0,0,0,1|2,0,0]=4 1205 B12R1.371 C=CC(C)Nc1cnccc1S 46f6a21c8c11892a3774779162a5f308 [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.371 C=CC(C)Nc1ncccc1Br 01f370f0c2833d42e0f9c6661a806f1c [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.371 C=CC(C)Nc1ncccc1C d7065bf7b72751fd5aea954303be8efa [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.371 C=CC(C)Nc1ncccc1Cl da951fedd975bdbcb00bcc6d8aa27bdd [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.371 C=CC(C)Nc1ncccc1F 4a644b7a6c779f55a3942c705b33c2f1 [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.371 C=CC(C)Nc1ncccc1I f3662cf3822bc4bcf3ece259917fbc24 [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.371 C=CC(C)Nc1ncccc1O 67ab0a2c18f66c7334974021caabe099 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.371 C=CC(C)Oc1ccc[nH]c1=S e2758d11ca6597117731eab8e4ca2cb9 [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.371 C=CC(C)Oc1cccc[n+]1[O-] c7a33b90b2ab1f937efa88516c28a1a9 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.371 C=CC(C)Oc1ccccc1Br 8dcca159fbb61e4a344d69a3981e34af [0,1,0,0,0,1|1,0,0]=3 1215 B12R1.371 C=CC(C)Oc1ccccc1C 043759c37eef23fd2bf2eb8a4b22c32a [0,1,0,0,0,1|1,0,0]=3 1216 B12R1.371 C=CC(C)Oc1ccccc1Cl a019e71f21cf74b52e8f51c45248bc02 [0,1,0,0,0,1|1,0,0]=3 1217 B12R1.371 C=CC(C)Oc1ccccc1F 02a050bc69e47c567b343d8df83e4bbc [0,1,0,0,0,1|1,0,0]=3 1218 B12R1.371 C=CC(C)Oc1ccccc1I 015f953c185df466cf4d49fd03f53ee8 [0,1,0,0,0,1|1,0,0]=3 1219 B12R1.371 C=CC(C)Oc1ccccc1S 6d184217ec2fc06b4de65358fa4e0851 [0,1,0,0,0,1|1,0,0]=3 1220 B12R1.371 C=CC(C)Oc1cccnc1Br e74451be0b4bcd4098b04689cd5f53bb [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.371 C=CC(C)Oc1cccnc1C c6536f9c5b2f3bb158196419c31135b5 [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.371 C=CC(C)Oc1cccnc1Cl b99289c70c3079e8582bf10e5b009314 [0,1,0,0,0,1|2,0,0]=4 1223 B12R1.371 C=CC(C)Oc1cccnc1F 64879e53c9590fb1fb7dafe7f7fbe777 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.371 C=CC(C)Oc1cccnc1I a86ab4ee6f05d8c555c25cdca716f8a8 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.371 C=CC(C)Oc1cccoc1=O a7ac64a988202a5d4b9b022fd3e70ceb [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.371 C=CC(C)Oc1ccncc1Br 630586ccba545c6ab41f954dc05420e8 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.371 C=CC(C)Oc1ccncc1C 239a929d5177e180bcfdb7bb834a6e39 [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.371 C=CC(C)Oc1ccncc1Cl f1796283ce79f3baa01bdbc615e437b6 [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.371 C=CC(C)Oc1ccncc1F 6e8523be26ab8cebea3b9632605b19f5 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.371 C=CC(C)Oc1cnccc1Br 01746b89957d70c064883bab796cd5db [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.371 C=CC(C)Oc1cnccc1C 07cea7d3d8f6b01f0ff6128c6d81d3c7 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.371 C=CC(C)Oc1cnccc1Cl 684a20dab13c231dc0b9bb30f1ace4a3 [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.371 C=CC(C)Oc1cnccc1F 0437667f27f32e267d2d8a153f584b1d [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.371 C=CC(C)Oc1cnccc1I 1eadffac270003f459faa01c810a64ab [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.371 C=CC(C)Oc1coccc1=O dc9b3a2a9c480a0ac23f7230f99dadce [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.371 C=CC(C)Oc1ncccc1Br c7f9d9bee1c4753d20564c2e0395885c [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.371 C=CC(C)Oc1ncccc1C 4fa6da2fec094ead2dd2d45f7d922b3a [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.371 C=CC(C)Oc1ncccc1Cl 82ba84d4d168bd24ce88093652f2c6c6 [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.371 C=CC(C)Oc1ncccc1F 7a8e077ecd6a7aeff374668430224c49 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.371 C=CC(C)On1ccccc1=N e60310311a89480eac77599e1f187b12 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.371 C=CC(C)On1ccccc1=O 0740d59e7f4fdd1f8bcab23c92981d21 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.371 C=CC(C)On1ccccc1=S 02e1e4c683abce21b513fbf17dd61df5 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.371 CC(C#N)Oc1ccccc1Cl 40850be110f3b9249bd2a9451adce98a [0,1,0,0,0,1|1,0,1]=4 1244 B12R1.371 CC(C=O)Nc1c[nH]cnc1=O e1c2e4132ecc4711767116e27e194b4e [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.371 CC(C=O)Nc1ccc[nH]c1=S 9057dd08f83fc3dad9b11be9b01fe993 [0,1,0,0,0,1|1,0,0]=3 1246 B12R1.371 CC(C=O)Nc1cccc[n+]1[O-] f8e1b334ed3612ae75c7af1c9442b1c6 [0,1,0,0,0,1|1,0,0]=3 1247 B12R1.371 CC(C=O)Nc1ccccc1Br 0cffe9ce083ad01ecf385a83da6c200f [0,1,0,0,0,1|0,0,0]=2 1248 B12R1.371 CC(C=O)Nc1ccccc1Cl 94a6e578a67300a8601c42320c754c06 [0,1,0,0,0,1|0,0,0]=2 1249 B12R1.371 CC(C=O)Nc1ccccc1F 533c8c478388a885e9d06d70a9926a45 [0,1,0,0,0,1|0,0,0]=2 1250 B12R1.371 CC(C=O)Nc1ccccc1I 5ae49e49ea287523fd5480ea70ade2c3 [0,1,0,0,0,1|0,0,0]=2 1251 B12R1.371 CC(C=O)Nc1ccccc1S 2dd5e99b71f9daa64e39383f96ce35ed [0,1,0,0,0,1|0,0,0]=2 1252 B12R1.371 CC(C=O)Nc1cccnc1Br 0a26c90bd360ace115d547fe5cf5b19b [0,1,0,0,0,1|1,0,0]=3 1253 B12R1.371 CC(C=O)Nc1cccnc1Cl baa2c711a546b7c180a97ed01a22be5e [0,1,0,0,0,1|1,0,0]=3 1254 B12R1.371 CC(C=O)Nc1cccnc1F 15c63a552a1c45fd58ecacc9fcfa7f78 [0,1,0,0,0,1|1,0,0]=3 1255 B12R1.371 CC(C=O)Nc1cccnc1I d2a72a404b229130c6ff453742c04c0c [0,1,0,0,0,1|1,0,0]=3 1256 B12R1.371 CC(C=O)Nc1ccn[nH]c1=O f2787b8e69e904919bfb0c385c2d6cd5 [0,1,0,0,0,1|2,0,0]=4 1257 B12R1.371 CC(C=O)Nc1ccn[nH]c1=S 4746f9c3a93fe110e8fa32ac728303e3 [0,1,0,0,0,1|2,0,0]=4 1258 B12R1.371 CC(C=O)Nc1ccncc1Br 015f0d9c455b1ccaf89bffb7d84e4e70 [0,1,0,0,0,1|1,0,0]=3 1259 B12R1.371 CC(C=O)Nc1ccncc1Cl 9025c120e0bcba161367cd8dd9eddb13 [0,1,0,0,0,1|1,0,0]=3 1260 B12R1.371 CC(C=O)Nc1ccncc1F 474ee214b8be3fc74e91156a0173454a [0,1,0,0,0,1|1,0,0]=3 1261 B12R1.371 CC(C=O)Nc1ccncc1I b93eb927828827f9f26b812a17a2792f [0,1,0,0,0,1|1,0,0]=3 1262 B12R1.371 CC(C=O)Nc1ccnnc1Br b26e8b9ccc75757c477b687dee4d9b90 [0,1,0,0,0,1|2,0,0]=4 1263 B12R1.371 CC(C=O)Nc1ccnnc1Cl 087142207fa26c7fd8791c353c70db6d [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.371 CC(C=O)Nc1cnccc1Br 370a52581eed504f725a88e28145f60f [0,1,0,0,0,1|1,0,0]=3 1265 B12R1.371 CC(C=O)Nc1cnccc1Cl 8e317695d6dd043762c5bda5ec6b66f8 [0,1,0,0,0,1|1,0,0]=3 1266 B12R1.371 CC(C=O)Nc1cnccc1F edf7c0ef125035a3dffdf9586ce7c7f4 [0,1,0,0,0,1|1,0,0]=3 1267 B12R1.371 CC(C=O)Nc1cnccc1I a13e8d0e793b5a7bcd941145d1140767 [0,1,0,0,0,1|1,0,0]=3 1268 B12R1.371 CC(C=O)Nc1cnccc1S 8b9889fbc4230fc744bc055e39c32f42 [0,1,0,0,0,1|1,0,0]=3 1269 B12R1.371 CC(C=O)Nc1cncnc1Br e6e42c19a4d7f0ec13c6f06871ee9dbd [0,1,0,0,0,1|2,0,0]=4 1270 B12R1.371 CC(C=O)Nc1cncnc1Cl e123da64ac3f865d180d6fd4c8e60712 [0,1,0,0,0,1|2,0,0]=4 1271 B12R1.371 CC(C=O)Nc1cncnc1I a699c8a79bd1c1836b6a6f7be836b1f3 [0,1,0,0,0,1|2,0,0]=4 1272 B12R1.371 CC(C=O)Nc1cnncc1Br 89afce0910e2279aace329e195963059 [0,1,0,0,0,1|2,0,0]=4 1273 B12R1.371 CC(C=O)Nc1cnncc1Cl d67b17115b8f44e82c9bd35906298b22 [0,1,0,0,0,1|2,0,0]=4 1274 B12R1.371 CC(C=O)Nc1ncccc1Br d1ac1ac5654f43672523a4b4155c1756 [0,1,0,0,0,1|1,0,0]=3 1275 B12R1.371 CC(C=O)Nc1ncccc1Cl 7c18b45a3e397ea7a5704e57cb2129b2 [0,1,0,0,0,1|1,0,0]=3 1276 B12R1.371 CC(C=O)Nc1ncccc1F 8cb70d76c8739391f708b03f0c66140b [0,1,0,0,0,1|1,0,0]=3 1277 B12R1.371 CC(C=O)Nc1ncccc1I 79ec43887e273c72cd1c2d5d14b22893 [0,1,0,0,0,1|1,0,0]=3 1278 B12R1.371 CC(C=O)Nc1nccnc1Br 2d013d4300d42d7e9e63709edce2a677 [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.371 CC(C=O)Nc1nccnc1Cl be6064ea74e69916cfed8c27fea7bc83 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.371 CC(C=O)Nc1nccnc1I 8100971320cc3de8cd0b4746d502749c [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.371 CC(C=O)Nc1ncncc1Br 7e1f4f19f86724a3e0bda6b2c9e3d5b8 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.371 CC(C=O)Nc1ncncc1Cl ef9b21116b10e12fc721b130a8c44c90 [0,1,0,0,0,1|2,0,0]=4 1283 B12R1.371 CC(C=O)Nc1ncncc1F ed7411ed1056c2f73b9886fb3e0f7cd8 [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.371 CC(C=O)Nc1ncncc1I 75a2104592c799d2ce030d853d26aaa4 [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.371 CC(C=O)Oc1c[nH]cnc1=O da9fd6ab96bb5e86335040edd97916e4 [0,1,0,0,0,1|2,0,0]=4 1286 B12R1.371 CC(C=O)Oc1ccc[nH]c1=S ebd355057ed4907a1a38f735b463cbc1 [0,1,0,0,0,1|1,0,0]=3 1287 B12R1.371 CC(C=O)Oc1cccc[n+]1[O-] f18bfef20534de760f96d68c7cdd37a1 [0,1,0,0,0,1|1,0,0]=3 1288 B12R1.371 CC(C=O)Oc1ccccc1Br cca8e9cd4bff0dc78a128bcd4e77e4aa [0,1,0,0,0,1|0,0,0]=2 1289 B12R1.371 CC(C=O)Oc1ccccc1Cl 02bc34f35e679902ac410d784bea8377 [0,1,0,0,0,1|0,0,0]=2 1290 B12R1.371 CC(C=O)Oc1ccccc1F 1a987f41c326b4210c8178eee1e3ac7b [0,1,0,0,0,1|0,0,0]=2 1291 B12R1.371 CC(C=O)Oc1ccccc1I f3a806c69a736bcff0c96d6f5130b667 [0,1,0,0,0,1|0,0,0]=2 1292 B12R1.371 CC(C=O)Oc1ccccc1S 4af2e6ec03ec861160b91a990d876eb5 [0,1,0,0,0,1|0,0,0]=2 1293 B12R1.371 CC(C=O)Oc1cccnc1Br 25a063108c0c5c7fc21648b82de93fb0 [0,1,0,0,0,1|1,0,0]=3 1294 B12R1.371 CC(C=O)Oc1cccnc1Cl da37bcd72710e387ef276b9f27e0d95f [0,1,0,0,0,1|1,0,0]=3 1295 B12R1.371 CC(C=O)Oc1cccnc1F bf18edebccfd5386c2c8bdb0df18fd43 [0,1,0,0,0,1|1,0,0]=3 1296 B12R1.371 CC(C=O)Oc1cccnc1I 41ec164d7812f2a8d2460f68f4dc2a21 [0,1,0,0,0,1|1,0,0]=3 1297 B12R1.371 CC(C=O)Oc1cccoc1=O 69a21c3bf53e058bf5d5270fb9f13a89 [0,1,0,0,0,1|1,0,0]=3 1298 B12R1.371 CC(C=O)Oc1ccncc1Br 08b3717b3e14608ace2cbb87a16d8e11 [0,1,0,0,0,1|1,0,0]=3 1299 B12R1.371 CC(C=O)Oc1ccncc1Cl a7c1aa49040ed1df85e1b1a322063175 [0,1,0,0,0,1|1,0,0]=3 1300 B12R1.371 CC(C=O)Oc1ccncc1F 16047a893a1192735fc687d4c217e43d [0,1,0,0,0,1|1,0,0]=3 1301 B12R1.371 CC(C=O)Oc1ccnnc1Cl ab0cfac2a8c538085259f85d09547094 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.371 CC(C=O)Oc1cnccc1Br 239fa55caa9d451b338339f9517c74b7 [0,1,0,0,0,1|1,0,0]=3 1303 B12R1.371 CC(C=O)Oc1cnccc1Cl dc18527fcbff582fdb85a92c2127b384 [0,1,0,0,0,1|1,0,0]=3 1304 B12R1.371 CC(C=O)Oc1cnccc1F 7b6db49ef3026963e0bd44844f108661 [0,1,0,0,0,1|1,0,0]=3 1305 B12R1.371 CC(C=O)Oc1cnccc1I e8d03b3758d5bff7a5b87abc4f919208 [0,1,0,0,0,1|1,0,0]=3 1306 B12R1.371 CC(C=O)Oc1cncnc1I 6a1e71af262659f8d5de0f24666697c7 [0,1,0,0,0,1|2,0,0]=4 1307 B12R1.371 CC(C=O)Oc1cnncc1Br 3dd1afc9fca87c5c2640e5f04a215392 [0,1,0,0,0,1|2,0,0]=4 1308 B12R1.371 CC(C=O)Oc1cnncc1Cl 8e2f7757f5f050b5fd75e00c0a3f66b8 [0,1,0,0,0,1|2,0,0]=4 1309 B12R1.371 CC(C=O)Oc1coccc1=O cb9d11046bdabda71a4aed6fb0ab1fb0 [0,1,0,0,0,1|1,0,0]=3 1310 B12R1.371 CC(C=O)Oc1ncccc1Br 43e3ad0604b58faeba99ecac175b7e3c [0,1,0,0,0,1|1,0,0]=3 1311 B12R1.371 CC(C=O)Oc1ncccc1Cl 03fa3216df11060b0f4d48689cad7cc3 [0,1,0,0,0,1|1,0,0]=3 1312 B12R1.371 CC(C=O)Oc1ncccc1F 37c72899175328447f9128c54e62c15f [0,1,0,0,0,1|1,0,0]=3 1313 B12R1.371 CC(C=O)Oc1nccnc1Br f95a9a1498b23aa0855f5e9e6ba8b6ec [0,1,0,0,0,1|2,0,0]=4 1314 B12R1.371 CC(C=O)Oc1ncncc1Cl 3c55b2a9df86d8dbcd983c3a8943fee1 [0,1,0,0,0,1|2,0,0]=4 1315 B12R1.371 CC(C=O)Oc1ncncc1F 5a03501fc23cde263fbc1579661e15bb [0,1,0,0,0,1|2,0,0]=4 1316 B12R1.371 CC(C=O)Oc1ncncc1I a326bba1ecac13b692a50eae814d4d33 [0,1,0,0,0,1|2,0,0]=4 1317 B12R1.371 CC(C=O)Oc1nnccc1Cl 82e5eb55d266bfaab187ae700b5bee0c [0,1,0,0,0,1|2,0,0]=4 1318 B12R1.371 CC(C=O)Oc1nnccc1I 42f0529ad349360e9dadea7f7c0bcfd5 [0,1,0,0,0,1|2,0,0]=4 1319 B12R1.371 CC(C=O)On1ccccc1=N 657087222a02ea8557f04ab8fb1988cb [0,1,0,0,0,1|1,0,0]=3 1320 B12R1.371 CC(C=O)On1ccccc1=O 5ec151d11d4b19778fa76e0efc8d5bfb [0,1,0,0,0,1|1,0,0]=3 1321 B12R1.371 CC(C=O)On1ccccc1=S 31a77d5d614c9b060aab97572fda3158 [0,1,0,0,0,1|1,0,0]=3 1322 B12R1.371 CC(CO)Nc1ccccc1F ab9abc3c7ad63ce6e7fb98c9c85f3edf [0,1,0,0,0,1|0,0,2]=4 1323 B12R1.371 CC(CO)Nc1ccccc1I 8db44cdfb97be4fe1b6791bb92fd08be [0,1,0,0,0,1|0,0,2]=4 1324 B12R1.371 CCC(C)Nc1ccccc1Cl de4bf505a5bbedeb31e8a75347207b67 [0,1,0,0,0,1|1,0,1]=4 1325 B12R1.371 CCC(C)Nc1ccccc1I cd67cc2bf7f4f6d6c61e47b710e1bb55 [0,1,0,0,0,1|1,0,1]=4 1326 B12R1.371 CCC(C)Nc1ccccc1S ecd9db41f3061f567fc7308b02ebdeed [0,1,0,0,0,1|1,0,1]=4 1327 B12R1.371 CCC(C)Oc1ccccc1C a9f8caaebcb535b77e0f35c5ea074362 [0,1,0,0,0,1|1,0,1]=4 1328 B12R1.371 CCC(C)Oc1ccccc1Cl 6f598d947434a44e209cdf34b797bf91 [0,1,0,0,0,1|1,0,1]=4 1329 B12R1.371 CCC(C)Oc1ccccc1F b533bd9cc207ae92fa5d1dd0e1595cbc [0,1,0,0,0,1|1,0,1]=4 1330 B12R1.371 CCC(C)Oc1ccccc1I 35e6ee1db321949fbb0c54358fea5b12 [0,1,0,0,0,1|1,0,1]=4 1331 B12R1.371 CCC(C)Oc1ccccc1S 430f323aec7886fe8f11d201c4780b84 [0,1,0,0,0,1|1,0,1]=4 1332 B12R1.371 CN(C=O)Cc1ccccc1Br fce06f44c0a8114423bb592e8977b725 [0,1,0,0,0,1|1,0,0]=3 1333 B12R1.371 CN(C=O)Cc1ccccc1Cl 5f79a5b463b6988462e76493c819511b [0,1,0,0,0,1|1,0,0]=3 1334 B12R1.371 CN(C=O)Cc1ccccc1F 84e3bd6e57f24292fb928fdd134fd8d0 [0,1,0,0,0,1|1,0,0]=3 1335 B12R1.371 CN(C=O)Cc1ccccc1I 0c1319250cdd83468ecf824c7f18eb33 [0,1,0,0,0,1|1,0,0]=3 1336 B12R1.371 CN(C=O)Cc1ccccc1O 75c071aa833598288dd17cfc9ef4f351 [0,1,0,0,0,1|1,0,0]=3 1337 B12R1.371 CN(C=O)Cc1cccnc1Cl b30e649845fa620026db59669e6e217d [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.371 CN(C=O)Cc1ncccc1F bb0a2b43aee786d1813a51687dd76159 [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.371 C[C@@H](CO)Nc1ccccc1F bc7a17b0246c7bfaa6b92e68ea47eff7 [0,1,0,0,0,1|0,0,2]=4 1340 B12R1.371 C[C@@H](CO)Nc1ccccc1I 4e52463ff6b81e76a206c779e1fbf0a0 [0,1,0,0,0,1|0,0,2]=4 1341 B12R1.371 C[C@H](C=O)Nc1c[nH]cnc1=O 2acd9803b463d495631982bb521b62b2 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.371 C[C@H](C=O)Nc1ccc[nH]c1=S 34d28acd19a78a5406f60a206d1cec8d [0,1,0,0,0,1|1,0,0]=3 1343 B12R1.371 C[C@H](C=O)Nc1cccc[n+]1[O-] 44baa30e92e36ead72ff5bedefa5c828 [0,1,0,0,0,1|1,0,0]=3 1344 B12R1.371 C[C@H](C=O)Nc1ccccc1Br a1864457ce0dffa2f0da6ecc10ab5fbf [0,1,0,0,0,1|0,0,0]=2 1345 B12R1.371 C[C@H](C=O)Nc1ccccc1Cl 5ceb64dae13b86d46fe3ec23f86f66f5 [0,1,0,0,0,1|0,0,0]=2 1346 B12R1.371 C[C@H](C=O)Nc1ccccc1F 4f51f7da0ff8191f9d5f946ccf93c5e3 [0,1,0,0,0,1|0,0,0]=2 1347 B12R1.371 C[C@H](C=O)Nc1ccccc1I 65ced1e76ac77c60c97b59c031303fa5 [0,1,0,0,0,1|0,0,0]=2 1348 B12R1.371 C[C@H](C=O)Nc1ccccc1S 8f49bcddd44cf23841dee8754a5c45fd [0,1,0,0,0,1|0,0,0]=2 1349 B12R1.371 C[C@H](C=O)Nc1cccnc1Br 9b50e3c410266f4b71ca020d124c8e8c [0,1,0,0,0,1|1,0,0]=3 1350 B12R1.371 C[C@H](C=O)Nc1cccnc1Cl 5fca5b9c6b33ec7d356343e04b79db4d [0,1,0,0,0,1|1,0,0]=3 1351 B12R1.371 C[C@H](C=O)Nc1cccnc1F 4ffd4a4ac39d627c17d2172a3a3d4947 [0,1,0,0,0,1|1,0,0]=3 1352 B12R1.371 C[C@H](C=O)Nc1cccnc1I 369aaf913c7a29c8f20fbec953349a91 [0,1,0,0,0,1|1,0,0]=3 1353 B12R1.371 C[C@H](C=O)Nc1ccn[nH]c1=O 12fb267901ec6055d00081579a4b4e57 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.371 C[C@H](C=O)Nc1ccn[nH]c1=S a89181636f3998c7ac708b02d22f0726 [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.371 C[C@H](C=O)Nc1ccncc1Br 02a055cea865b974b838a41630e92ef2 [0,1,0,0,0,1|1,0,0]=3 1356 B12R1.371 C[C@H](C=O)Nc1ccncc1Cl ab9ab306b28bbeff31fada5bd2ad8c1e [0,1,0,0,0,1|1,0,0]=3 1357 B12R1.371 C[C@H](C=O)Nc1ccncc1F 4e5dce8e1cf21ef0b35d8f493861e118 [0,1,0,0,0,1|1,0,0]=3 1358 B12R1.371 C[C@H](C=O)Nc1ccncc1I b59ef9dea17d86af9a0e66c6ab6616b8 [0,1,0,0,0,1|1,0,0]=3 1359 B12R1.371 C[C@H](C=O)Nc1ccnnc1Br 89dd1a9cb28b032c528048f9c40436f4 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.371 C[C@H](C=O)Nc1ccnnc1Cl b5d627cfea47fa8408b286c91298c93d [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.371 C[C@H](C=O)Nc1cnccc1Br de5d8c22fa63b25645f441340d2945f1 [0,1,0,0,0,1|1,0,0]=3 1362 B12R1.371 C[C@H](C=O)Nc1cnccc1Cl c05451624da7aca02421906ea9468acb [0,1,0,0,0,1|1,0,0]=3 1363 B12R1.371 C[C@H](C=O)Nc1cnccc1F 72a7b9a20422a017b0a94463fc7cd1d2 [0,1,0,0,0,1|1,0,0]=3 1364 B12R1.371 C[C@H](C=O)Nc1cnccc1I 5a6b18bdf9fcaa8ee68409c8a88f9060 [0,1,0,0,0,1|1,0,0]=3 1365 B12R1.371 C[C@H](C=O)Nc1cnccc1S ccd228b2eb28c5773e20a1cca43ca075 [0,1,0,0,0,1|1,0,0]=3 1366 B12R1.371 C[C@H](C=O)Nc1cncnc1Br 4fbed77d4853808bf26408eeaab3bd15 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.371 C[C@H](C=O)Nc1cncnc1Cl 8a223af6c83f7d8494f1c0a0e9806633 [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.371 C[C@H](C=O)Nc1cncnc1I f78ec630f4186ee7484dfee09bf776c4 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.371 C[C@H](C=O)Nc1cnncc1Br eaf443353a23a02fa5f0243ce28a085c [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.371 C[C@H](C=O)Nc1cnncc1Cl f47426070d5c4cccf7b36301649d0304 [0,1,0,0,0,1|2,0,0]=4 1371 B12R1.371 C[C@H](C=O)Nc1ncccc1Br 95d68a80a9c4f8042b5f82e4d4bac64c [0,1,0,0,0,1|1,0,0]=3 1372 B12R1.371 C[C@H](C=O)Nc1ncccc1Cl 0c37b739c7c39f7b0a11e59538e47932 [0,1,0,0,0,1|1,0,0]=3 1373 B12R1.371 C[C@H](C=O)Nc1ncccc1F f04f3bb29f73ed43c2c527d1ccd2fe7f [0,1,0,0,0,1|1,0,0]=3 1374 B12R1.371 C[C@H](C=O)Nc1ncccc1I 63728bb9ca44fa09230a080de74aa3d9 [0,1,0,0,0,1|1,0,0]=3 1375 B12R1.371 C[C@H](C=O)Nc1nccnc1Br 3cb143c38c8f4c733c8b0457bc33a791 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.371 C[C@H](C=O)Nc1nccnc1Cl 3d00e8d96de52a2dcc427aad3488d91d [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.371 C[C@H](C=O)Nc1nccnc1I 7c63b24eda008dad79975de48919167e [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.371 C[C@H](C=O)Nc1ncncc1Br fec90f837aed1af4150d01fb26f7296e [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.371 C[C@H](C=O)Nc1ncncc1Cl 438dfcb72e0d15b335622217547a6c49 [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.371 C[C@H](C=O)Nc1ncncc1F a4560d11236b1d0d31a1455a592dfa7e [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.371 C[C@H](C=O)Nc1ncncc1I 5bf2135e4ebe2adbbbbeb2277db161c8 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.371 C[C@H](C=O)Oc1c[nH]cnc1=O d74ee6af54cc90b5b6538796195717a9 [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.371 C[C@H](C=O)Oc1ccc[nH]c1=S 00bd1e16e3ef3df1d75763a46a78cadb [0,1,0,0,0,1|1,0,0]=3 1384 B12R1.371 C[C@H](C=O)Oc1cccc[n+]1[O-] c68d5353b0a090265aa99e66a0aaae4f [0,1,0,0,0,1|1,0,0]=3 1385 B12R1.371 C[C@H](C=O)Oc1ccccc1Br 9bc9c79f423a4b1ff83beede1e97d920 [0,1,0,0,0,1|0,0,0]=2 1386 B12R1.371 C[C@H](C=O)Oc1ccccc1Cl 9733f9dc4bc31efbce368eade2b3b3b8 [0,1,0,0,0,1|0,0,0]=2 1387 B12R1.371 C[C@H](C=O)Oc1ccccc1F aa4d032ebc4a94923d8e83d87e69f804 [0,1,0,0,0,1|0,0,0]=2 1388 B12R1.371 C[C@H](C=O)Oc1ccccc1I ffcaef81a183b5cfef236dbbc12ae67b [0,1,0,0,0,1|0,0,0]=2 1389 B12R1.371 C[C@H](C=O)Oc1ccccc1S 2b8f3f3eb6842effff4e3edc6332fa7b [0,1,0,0,0,1|0,0,0]=2 1390 B12R1.371 C[C@H](C=O)Oc1cccnc1Br aef4b98b0baf895d90bf4234d949dae3 [0,1,0,0,0,1|1,0,0]=3 1391 B12R1.371 C[C@H](C=O)Oc1cccnc1Cl f06d3f745d72abaefb33bbe78312f957 [0,1,0,0,0,1|1,0,0]=3 1392 B12R1.371 C[C@H](C=O)Oc1cccnc1F 8cdeda7a0203e782c7cae4f3804226ac [0,1,0,0,0,1|1,0,0]=3 1393 B12R1.371 C[C@H](C=O)Oc1cccnc1I a2f72903c09534a669446e7d3d1186b1 [0,1,0,0,0,1|1,0,0]=3 1394 B12R1.371 C[C@H](C=O)Oc1cccoc1=O eae95eae0a4d89dadedb7c5e072af677 [0,1,0,0,0,1|1,0,0]=3 1395 B12R1.371 C[C@H](C=O)Oc1ccncc1Br 43894a5eb20cc8a52d9d7be628048ce8 [0,1,0,0,0,1|1,0,0]=3 1396 B12R1.371 C[C@H](C=O)Oc1ccncc1Cl 4ea02267c8621d648a6d2a56e761f372 [0,1,0,0,0,1|1,0,0]=3 1397 B12R1.371 C[C@H](C=O)Oc1ccncc1F ae7cb1be65c5fd9dc14d52e43b2e4e80 [0,1,0,0,0,1|1,0,0]=3 1398 B12R1.371 C[C@H](C=O)Oc1ccnnc1Cl 67cbcb59fb5e0f6b43691c41f3254776 [0,1,0,0,0,1|2,0,0]=4 1399 B12R1.371 C[C@H](C=O)Oc1cnccc1Br 22480ef637fd798247198d07af5368bc [0,1,0,0,0,1|1,0,0]=3 1400 B12R1.371 C[C@H](C=O)Oc1cnccc1Cl 7a9ea33442715ee2534f3ad367915049 [0,1,0,0,0,1|1,0,0]=3 1401 B12R1.371 C[C@H](C=O)Oc1cnccc1F eccfa6859c53c8e5a2553b97c6911c3b [0,1,0,0,0,1|1,0,0]=3 1402 B12R1.371 C[C@H](C=O)Oc1cnccc1I fe7be7484019359f69ffbeb783abd002 [0,1,0,0,0,1|1,0,0]=3 1403 B12R1.371 C[C@H](C=O)Oc1cncnc1I 29351cb3227fba08b3b7cb0a0517f13c [0,1,0,0,0,1|2,0,0]=4 1404 B12R1.371 C[C@H](C=O)Oc1cnncc1Br 43c72dfd3cd5d403cf448980892a1ee1 [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.371 C[C@H](C=O)Oc1cnncc1Cl dac9fe74af96dcd20090720870cdf61c [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.371 C[C@H](C=O)Oc1coccc1=O b419989cf7fbfb9d36a70fb9d48e4e78 [0,1,0,0,0,1|1,0,0]=3 1407 B12R1.371 C[C@H](C=O)Oc1ncccc1Br cae5517c6b93479ebccb9d1d32e675c4 [0,1,0,0,0,1|1,0,0]=3 1408 B12R1.371 C[C@H](C=O)Oc1ncccc1Cl 3695e1f39ae8c3050f9ce1756f16f89c [0,1,0,0,0,1|1,0,0]=3 1409 B12R1.371 C[C@H](C=O)Oc1ncccc1F 7585acf94faaabc2ef477f1d35926924 [0,1,0,0,0,1|1,0,0]=3 1410 B12R1.371 C[C@H](C=O)Oc1nccnc1Br 0d6d63eeeff09d17f8bedf9ef5e5a2ca [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.371 C[C@H](C=O)Oc1ncncc1Cl 301001b80fca2fa6c51f44fa5666be25 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.371 C[C@H](C=O)Oc1ncncc1F caa86d878d34efa53ee9e159acc58ce7 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.371 C[C@H](C=O)Oc1ncncc1I 26a43a436f72dac16402730a81547fad [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.371 C[C@H](C=O)Oc1nnccc1Cl 45086821d6e3836102692cf2a51da15a [0,1,0,0,0,1|2,0,0]=4 1415 B12R1.371 C[C@H](C=O)Oc1nnccc1I 282f6ecb98bf8331af245f724cfd5a71 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.371 C[C@H](C=O)On1ccccc1=N 97196f45e1111f637de880d5fec80420 [0,1,0,0,0,1|1,0,0]=3 1417 B12R1.371 C[C@H](C=O)On1ccccc1=O 55a7b646405f4227c1ca2c78034edc7b [0,1,0,0,0,1|1,0,0]=3 1418 B12R1.371 C[C@H](C=O)On1ccccc1=S dd4a412f36e4b37189c788ff02bb9746 [0,1,0,0,0,1|1,0,0]=3 1419 B12R1.371 C[C@H](CO)Nc1ccccc1F 636c9c06865906a75d3375bd72489d82 [0,1,0,0,0,1|0,0,2]=4 1420 B12R1.371 C[C@H](CO)Nc1ccccc1I aa96d8a3924e58569f2c3ab4fed9a92f [0,1,0,0,0,1|0,0,2]=4 1421 B12R1.371 Cc1ccccc1CN(C)C=O 0394ec56e0ef1366f6eee7aa2505f162 [0,1,0,0,0,1|1,0,0]=3 1422 B12R1.371 Cc1ccccc1NC(=O)C=O c48e8fd2ba5e58f34d83735c8fa1debf [0,1,0,0,0,1|1,0,1]=4 1423 B12R1.371 Cc1ccccc1NC(C)C=O dd79d441edb1e3a3181ba2ed607f6b52 [0,1,0,0,0,1|0,0,0]=2 1424 B12R1.371 Cc1ccccc1NC(C)CO d135b508699b5774eadc8e5bb668b2c9 [0,1,0,0,0,1|0,0,2]=4 1425 B12R1.371 Cc1ccccc1N[C@@H](C)CO ca1b58b1899397ab399e5320d36d8569 [0,1,0,0,0,1|0,0,2]=4 1426 B12R1.371 Cc1ccccc1N[C@H](C)C=O 5359de32e5c8c0aedf2f1f753b4de24e [0,1,0,0,0,1|0,0,0]=2 1427 B12R1.371 Cc1ccccc1N[C@H](C)CO e0d94c7afbeca89e50d0334be68e4a7b [0,1,0,0,0,1|0,0,2]=4 1428 B12R1.371 Cc1ccccc1OC(C)C=O 811c89abb96a03e1911431f1a9795e27 [0,1,0,0,0,1|0,0,0]=2 1429 B12R1.371 Cc1ccccc1O[C@H](C)C=O b74429b71cdeb808aaa8ec87c3af4333 [0,1,0,0,0,1|0,0,0]=2 1430 B12R1.371 Cc1cccnc1CN(C)C=O 8cd0d4a3b44193f08f9d3159d684e64c [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.371 Cc1cccnc1NC(C)C=O e664544991a3a98c6b16d24c03eec5ef [0,1,0,0,0,1|1,0,0]=3 1432 B12R1.371 Cc1cccnc1N[C@H](C)C=O ed828f3f000326f406444ce0802d16ea [0,1,0,0,0,1|1,0,0]=3 1433 B12R1.371 Cc1cccnc1OC(C)C=O bbb72dddcde61d9913e0439ed5af3140 [0,1,0,0,0,1|1,0,0]=3 1434 B12R1.371 Cc1cccnc1O[C@H](C)C=O ebe3ce918ef59d7560fe596d07c4c076 [0,1,0,0,0,1|1,0,0]=3 1435 B12R1.371 Cc1ccncc1NC(C)C=O f36e5ec1044cd27eaa191af83c6bd7a3 [0,1,0,0,0,1|1,0,0]=3 1436 B12R1.371 Cc1ccncc1N[C@H](C)C=O 662dc48ecb3a17fcbcad54f169ad770b [0,1,0,0,0,1|1,0,0]=3 1437 B12R1.371 Cc1ccncc1OC(C)C=O b9ff80de5f4e6aa306223a3d0957c586 [0,1,0,0,0,1|1,0,0]=3 1438 B12R1.371 Cc1ccncc1O[C@H](C)C=O c5b137b71ac2a977df48accb3ff24451 [0,1,0,0,0,1|1,0,0]=3 1439 B12R1.371 Cc1ccnnc1NC(C)C=O 4bb9e7f5f40395d4928b75438cb02bbc [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.371 Cc1ccnnc1N[C@H](C)C=O 2a48672af86b2c51f0172a8e7e4f8623 [0,1,0,0,0,1|2,0,0]=4 1441 B12R1.371 Cc1ccnnc1OC(C)C=O 2889758817fca711755d01c00d9ec65a [0,1,0,0,0,1|2,0,0]=4 1442 B12R1.371 Cc1ccnnc1O[C@H](C)C=O 10cb181a02f5b4ee0f7fc3c42c13d147 [0,1,0,0,0,1|2,0,0]=4 1443 B12R1.371 Cc1cnccc1NC(C)C=O ad13321472b863cd7b90f83b6cee7ce8 [0,1,0,0,0,1|1,0,0]=3 1444 B12R1.371 Cc1cnccc1N[C@H](C)C=O 4005567819a6a4abc4fd96bd706d12af [0,1,0,0,0,1|1,0,0]=3 1445 B12R1.371 Cc1cnccc1OC(C)C=O bc82e2284b04029cd89abd9c53da34b2 [0,1,0,0,0,1|1,0,0]=3 1446 B12R1.371 Cc1cnccc1O[C@H](C)C=O 5bbfd59b5d51b3c7806c42daaf875500 [0,1,0,0,0,1|1,0,0]=3 1447 B12R1.371 Cc1cncnc1NC(C)C=O afa17fa663705e5895ebf8ca96ce31e0 [0,1,0,0,0,1|2,0,0]=4 1448 B12R1.371 Cc1cncnc1N[C@H](C)C=O e11f4a4c8eca7422537490c2ecd54d2f [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.371 Cc1cncnc1OC(C)C=O f39741269f7a189e1b2be2cdc4591fdb [0,1,0,0,0,1|2,0,0]=4 1450 B12R1.371 Cc1cncnc1O[C@H](C)C=O 6f6aa94ba5548a1977c58c5484440b8b [0,1,0,0,0,1|2,0,0]=4 1451 B12R1.371 Cc1ncccc1CN(C)C=O b582e5d507d9c0c818270d007008813a [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.371 Cc1ncccc1NC(C)C=O 05215448219b80de42d43152df869833 [0,1,0,0,0,1|1,0,0]=3 1453 B12R1.371 Cc1ncccc1N[C@H](C)C=O 4baacc54a703c37ae8b79c6b553cd7b3 [0,1,0,0,0,1|1,0,0]=3 1454 B12R1.371 Cc1ncccc1OC(C)C=O 3a5968a7561333f745e719ab10ab453e [0,1,0,0,0,1|1,0,0]=3 1455 B12R1.371 Cc1ncccc1O[C@H](C)C=O 88b23a22e9c33b2fd90e7ce25ac05c17 [0,1,0,0,0,1|1,0,0]=3 1456 B12R1.371 Cc1nccnc1NC(C)C=O c3136281e700309c71fbaacf7886d2c5 [0,1,0,0,0,1|2,0,0]=4 1457 B12R1.371 Cc1nccnc1N[C@H](C)C=O 566e9de3895aa05f434f30150833fd95 [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.371 Cc1nccnc1OC(C)C=O 480d0ecc04b8a5e6876a08be3fad2f8a [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.371 Cc1nccnc1O[C@H](C)C=O f7d71379ef60c94e312898d58b2e4e1f [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.371 Cc1ncncc1NC(C)C=O 23f1c099ef9541d885c222cb2a313824 [0,1,0,0,0,1|2,0,0]=4 1461 B12R1.371 Cc1ncncc1N[C@H](C)C=O eec5e545d10cecd4880fe85ddece8cbd [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.371 Cc1ncncc1OC(C)C=O 9e77b5c95cb2a37f3ac49e5a445cd485 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.371 Cc1ncncc1O[C@H](C)C=O 0084ff132238c2995ee4fe601fbdbe63 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.371 Cc1nnccc1NC(C)C=O 4ebf6510f5c75c45f00dbdf3cdc47bb2 [0,1,0,0,0,1|2,0,0]=4 1465 B12R1.371 Cc1nnccc1N[C@H](C)C=O ee3f84a88e5466abf342f32c2c589563 [0,1,0,0,0,1|2,0,0]=4 1466 B12R1.371 O=CC(=O)Nc1ccccc1Br 7058336679ba69d39674b3c86c28e3f9 [0,1,0,0,0,1|1,0,1]=4 1467 B12R1.371 O=CC(=O)Nc1ccccc1Cl 9a72d75ca46083d23b6f52a31e240aa0 [0,1,0,0,0,1|1,0,1]=4 1468 B12R1.371 O=CC(=O)Nc1ccccc1F 1f81a01759afe8571b5912fad33207bb [0,1,0,0,0,1|1,0,1]=4 1469 B12R1.371 O=CC(=O)Nc1ccccc1I 673328a9d4095e886bbc6b7e908b5522 [0,1,0,0,0,1|1,0,1]=4 1470 B12R1.371 O=CC(=O)Nc1ccccc1O e415f0146d0743efb0d7d2314f6f490f [0,1,0,0,0,1|1,0,1]=4 1471 B12R1.371 O=CC(=O)Nc1ccccc1S 26651d9294816246534bfb73b52fa2e9 [0,1,0,0,0,1|1,0,1]=4 1472 B12R1.39 CC(C)(NC=O)c1ccccn1 54283f685acb1680e31a2e7b6728191f [0,2,0,0,0,0|1,0,0]=3 1473 B12R1.39 CC(C)(NC=O)c1cccnc1 779ab15b3a7af893fc3f6473d97a293d [0,2,0,0,0,0|1,0,0]=3 1474 B12R1.39 CC(C)(NC=O)c1ccncc1 a59ddf1ad018ba0bbdc0a6f318ee4afc [0,2,0,0,0,0|1,0,0]=3 1475 B12R1.39 CC(C)(NCF)c1ccccc1 edbd04c0a40b008dee076ea6123b2a3a [0,2,0,0,0,0|1,0,1]=4 1476 B12R1.39 CC(C)(NCO)c1ccccc1 fb4c7e5860e9a5887317ede564ff1468 [0,2,0,0,0,0|0,0,2]=4 1477 B12R1.39 CC(C)(OCF)c1ccccc1 4b3fad123409f56f69ec037047272502 [0,2,0,0,0,0|1,0,1]=4 1478 B12R1.39 CCNC(C)(C)c1ccccc1 2e6683f6142d34cb9ce8cfe15a82fe01 [0,2,0,0,0,0|1,0,1]=4 1479 B12R1.39 CCOC(C)(C)c1ccccc1 5bcc79794e808b87e35ba44c1bb3e6b7 [0,2,0,0,0,0|1,0,1]=4 1480 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,2,0,0,0,0|1,0,1]=4 1481 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,2,0,0,0,0|1,0,1]=4 1482 B12R1.3 C#CCN(C=O)c1ccccc1 3fee30dff0acf9a3944a99cb8d7dc91b [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,2,0,0,0,0|1,0,1]=4 1484 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,2,0,0,0,0|1,0,1]=4 1485 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,2,0,0,0,0|1,0,1]=4 1486 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,2,0,0,0,0|1,0,1]=4 1487 B12R1.3 C=CC(NC#N)c1ccccc1 faeb5492d975f23041e6e2443c2cf217 [0,2,0,0,0,0|1,0,1]=4 1488 B12R1.3 C=CC(NC=O)c1ccccc1 39101a1d68dfb83652c8516ebaadcdea [0,2,0,0,0,0|0,0,1]=3 1489 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,2,0,0,0,0|1,0,0]=3 1490 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [0,2,0,0,0,0|1,0,0]=3 1491 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,2,0,0,0,0|1,0,0]=3 1493 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.3 C=CCN(C=O)c1cccnc1 5e279cda2cf12d361bcbc1892aeecc1e [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.3 C=CCN(CC)c1ccccc1 2bf94e98a6e871d2b0d4e7e5382e5a7a [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.3 C=CCN(CF)c1ccccc1 7940366e8b8c93a3602e4b52172c37f4 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.3 C=CCN(CO)c1ccccc1 4e766be109ae162891a851d1f2c36317 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.3 C=C[C@@H](NC=O)c1ccccc1 2ecd6af102532c50616c1dfa6b247a68 [0,2,0,0,0,0|0,0,1]=3 1499 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.3 C=C[C@H](NC=O)c1ccccc1 bb17988a70696eca8efb8f24034ca3c6 [0,2,0,0,0,0|0,0,1]=3 1503 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,2,0,0,0,0|1,0,0]=3 1504 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [0,2,0,0,0,0|1,0,0]=3 1505 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [0,2,0,0,0,0|1,0,0]=3 1506 B12R1.3 CCC(NC#N)c1ccccc1 0a2ef7e390ad9e10cb2f8cc5101ed59a [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.3 CCC(NC=O)c1ccccc1 f35c5a1e32ab8921cb0fd5e08b4f1f33 [0,2,0,0,0,0|0,0,0]=2 1508 B12R1.3 CCC(NC=O)c1ccccn1 6272c75f1bbad2ca3d2c655b19fffda8 [0,2,0,0,0,0|1,0,0]=3 1509 B12R1.3 CCC(NC=O)c1cccnc1 87d0fe1dfb10c405e4ac398b90932d21 [0,2,0,0,0,0|1,0,0]=3 1510 B12R1.3 CCC(NC=O)c1ccncc1 74d90ea3e225747ca3f33c9b625aca75 [0,2,0,0,0,0|1,0,0]=3 1511 B12R1.3 CCC(NC=O)c1cnccn1 d026308658299090587fea39cc85998d [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.3 CCC(NC=O)c1ncccn1 e92bb2b069ce4936e914d88595579fa7 [0,2,0,0,0,0|2,0,0]=4 1513 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,2,0,0,0,0|1,0,1]=4 1514 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,2,0,0,0,0|0,0,2]=4 1515 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,2,0,0,0,0|1,0,1]=4 1516 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [0,2,0,0,0,0|1,0,0]=3 1517 B12R1.3 CCN(CC=O)c1ccccc1 009c4a484e3ac4577aa247993a08c21a [0,2,0,0,0,0|1,0,0]=3 1518 B12R1.3 CCN(CC=O)c1ccccn1 18b465d305577e43aa1e5dcf896670aa [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.3 CCN(CC=O)c1cccnc1 32efd6c0b5b0d40666e6f1dc4fc0b878 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.3 CCN(CC=O)c1ccncc1 ff1640b3efef8260d87a381b97091d7a [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [0,2,0,0,0,0|1,0,1]=4 1522 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,2,0,0,0,0|1,0,1]=4 1523 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,2,0,0,0,0|0,0,2]=4 1524 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,2,0,0,0,0|1,0,1]=4 1525 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,2,0,0,0,0|1,0,1]=4 1526 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,2,0,0,0,0|0,0,2]=4 1527 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,2,0,0,0,0|1,0,1]=4 1528 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,2,0,0,0,0|0,0,2]=4 1529 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,2,0,0,0,0|1,0,1]=4 1530 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,2,0,0,0,0|1,0,1]=4 1531 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,2,0,0,0,0|1,0,1]=4 1532 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,2,0,0,0,0|1,0,1]=4 1533 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,2,0,0,0,0|1,0,1]=4 1534 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,2,0,0,0,0|1,0,1]=4 1535 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,2,0,0,0,0|1,0,1]=4 1536 B12R1.3 CC[C@@H](NC=O)c1ccccc1 ebbf73246fa5e055d14598ff73ee74b9 [0,2,0,0,0,0|0,0,0]=2 1537 B12R1.3 CC[C@@H](NC=O)c1ccccn1 d188ab4b3f12b054c0fc5e82fc46ec26 [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,2,0,0,0,0|1,0,1]=4 1539 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,2,0,0,0,0|0,0,2]=4 1540 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.3 CC[C@H](NC=O)c1ccccc1 5b95454d2846027c7fee198531e3fbcd [0,2,0,0,0,0|0,0,0]=2 1542 B12R1.3 CC[C@H](NC=O)c1ccccn1 d55d33547e9d8ffcccd0a9a7b006993e [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.3 CC[C@H](NC=O)c1ccncc1 398e2a927c5757953e0464c5541e459b [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,2,0,0,0,0|1,0,1]=4 1545 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,2,0,0,0,0|0,0,2]=4 1546 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,2,0,0,0,0|1,0,1]=4 1547 B12R1.3 FCN[C@@H](CF)c1ccccc1 7653dba4c4786a42a01c43c68d5b04cc [0,2,0,0,0,0|1,0,1]=4 1548 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,2,0,0,0,0|1,0,1]=4 1549 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,2,0,0,0,0|1,0,1]=4 1550 B12R1.3 N#CC(NC=O)c1cccnc1 054bdbc2e26ab33e70065b4d83043b0e [0,2,0,0,0,0|1,0,1]=4 1551 B12R1.3 N#CC(NCF)c1ccccc1 f98eb0c12cea160e611c8a32cf94e460 [0,2,0,0,0,0|1,0,1]=4 1552 B12R1.3 N#CC(NCO)c1ccccc1 3a25592688f62e9e2e1c0aa1965a0e6e [0,2,0,0,0,0|1,0,1]=4 1553 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.3 N#CCN(C=O)c1ccccc1 506cbb3c502ce9098fc169fcf1b07da2 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.3 N#CN(CC=O)c1ccccc1 4164fcc5462cfed288346440a09a127c [0,2,0,0,0,0|1,0,1]=4 1556 B12R1.3 N#CNC(C=O)c1ccccc1 40cb884640f231bf51d3c969f91cc21b [0,2,0,0,0,0|0,0,1]=3 1557 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,2,0,0,0,0|1,0,1]=4 1558 B12R1.3 O=CN(CCF)c1ccccc1 cecc898c90ae32628e1e22021418ffd8 [0,2,0,0,0,0|1,0,0]=3 1559 B12R1.3 O=CN(CCO)c1ccccc1 2cfbca70005c73b7e0b1c55ae8b1e4cf [0,2,0,0,0,0|1,0,0]=3 1560 B12R1.3 O=CN(CCO)c1ccccn1 fd4af6075fda05ac6ba4cf6dcc6f641d [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.3 O=CN(CCO)c1ccncc1 a46d4180101fea18f1923cd95ba425a2 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.3 O=CNC(CO)c1ccccc1 eab85ec6bc58124fc0a34b21c2ead22e [0,2,0,0,0,0|0,0,0]=2 1563 B12R1.3 O=CNC(CO)c1ccccn1 fbd22d97b5494f4f225fe30e76edec70 [0,2,0,0,0,0|1,0,0]=3 1564 B12R1.3 O=CNC(CO)c1cccnc1 f7cecbb2ce6918c198617bc640b3e8ac [0,2,0,0,0,0|1,0,0]=3 1565 B12R1.3 O=CNC(CO)c1ccncc1 14e50a22c6f6cf9f488f7c5e7e3535de [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.3 O=CN[C@@H](CF)c1ccccc1 0ff261ab74fd1bb17f257b9fa0c61993 [0,2,0,0,0,0|0,0,0]=2 1567 B12R1.3 O=CN[C@@H](CO)c1ccccc1 2914095b931483c8867faf13c06219d2 [0,2,0,0,0,0|0,0,0]=2 1568 B12R1.3 O=CN[C@@H](CO)c1cccnc1 87955398e26b15fe097212ea25fdcf53 [0,2,0,0,0,0|1,0,0]=3 1569 B12R1.3 O=CN[C@H](CO)c1ccccc1 5b2542d815db0af521344638e8200526 [0,2,0,0,0,0|0,0,0]=2 1570 B12R1.3 O=CN[C@H](CO)c1cccnc1 1b7cf5c72aead080f79a3b345be45758 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.3 O=CN[C@H](CO)c1ccncc1 4b9668cf5c04c8100304b797f7badf43 [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.3 OCC(NCF)c1ccccc1 eaf7d36725e016b8868e5ee278bca73b [0,2,0,0,0,0|0,0,2]=4 1573 B12R1.3 OCNC(CO)c1ccccc1 a3cd377c07e89cc8008c00850413e2fa [0,2,0,0,0,0|0,0,2]=4 1574 B12R1.3 OCN[C@@H](CF)c1ccccc1 c48dbb78e8705925b437f732da4df883 [0,2,0,0,0,0|0,0,2]=4 1575 B12R1.3 OCN[C@@H](CO)c1ccccc1 47e5ec93da6df8b6056499be137dbc47 [0,2,0,0,0,0|0,0,2]=4 1576 B12R1.3 OCN[C@H](CO)c1ccccc1 a68f9bf02ebd1849a27bc4bc05035ca2 [0,2,0,0,0,0|0,0,2]=4 1577 B12R1.3 OC[C@@H](NCF)c1ccccc1 0ac5a4dce202f249594459f5d60bcf4f [0,2,0,0,0,0|0,0,2]=4 1578 B12R1.3 OC[C@H](NCF)c1ccccc1 590aacd64b7799646c86138b9bcd2be8 [0,2,0,0,0,0|0,0,2]=4 1579 B12R1.12 CCN(C=O)c1ccc(cc1)Br a298ab7cad35aa1ec2d94ab133616023 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.12 CCN(C=O)c1ccc(cc1)C eaf836ea6b842ec93e8182af29d7c16a [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.12 CCN(C=O)c1ccc(cc1)Cl 6d7f2c41f258ac2893043fece93c0214 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.12 CCN(C=O)c1ccc(cc1)F 2859b23023e695a7ae2c4fbb44ca5434 [0,2,0,0,0,0|1,0,0]=3 1583 B12R1.12 CCN(C=O)c1ccc(cc1)O d72c28d8849a639167bd91dd366b00c8 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.12 CCN(C=O)c1ccc(cn1)Br 5295a889084867f50d4aef413e6dc10c [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.12 CCN(C=O)c1ccc(nc1)Cl 48fcda4929c59588e8145c50ca40ef85 [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.12 N#CN(C=O)c1ccc(cc1)Br 22435b6ea58e7e7b2c4cba0228448711 [0,2,0,0,0,0|1,0,1]=4 1587 B12R1.13 CCN(C=O)c1cc(ccn1)C 199ffa12ba50927111b3e8c7cd3c38eb [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.13 CCN(C=O)c1cc(ccn1)Cl 69261c6160b764d455aaee67ed5690c3 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.13 CCN(C=O)c1cccc(c1)Br b09102eb19d6ee0066ff9da9f16802ad [0,2,0,0,0,0|1,0,0]=3 1590 B12R1.13 CCN(C=O)c1cccc(c1)C 66edc5dcca08cc518c8d4208c202e614 [0,2,0,0,0,0|1,0,0]=3 1591 B12R1.13 CCN(C=O)c1cccc(c1)Cl f1280dfd687af0662c8c7fc9e5804186 [0,2,0,0,0,0|1,0,0]=3 1592 B12R1.13 CCN(C=O)c1cccc(c1)F ad8cef72c1f5d6136c2febaf674d8a33 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.13 CCN(C=O)c1cccc(c1)O c24e9df2171a902944c8ed7e8a9c39cb [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.13 CCN(C=O)c1cccc(n1)C d4685679c9a85f117a8010e0c1e9ea6f [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.13 N#CN(C=O)c1cccc(c1)Br 6e872f0105b6ade4a852e7007f8ecd24 [0,2,0,0,0,0|1,0,1]=4 1596 B12R1.243 CCN(C=O)c1ccccc1Br 73f4c91f77b803e18289ea62f9f13e02 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.243 CCN(C=O)c1ccccc1C 501349ea0d18ad0cf5fb9654d3271030 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.243 CCN(C=O)c1ccccc1Cl fb9903b4c38df435792122a814bcd691 [0,2,0,0,0,0|1,0,0]=3 1599 B12R1.243 CCN(C=O)c1ccccc1F c4fad30ba83c3c1c333ea47b8f9f6366 [0,2,0,0,0,0|1,0,0]=3 1600 B12R1.243 CCN(C=O)c1ccccc1O 816b767689b3d33145efa1da1f0cf5f3 [0,2,0,0,0,0|1,0,0]=3 1601 B12R1.243 CCN(C=O)c1ncccc1Br edbaa2f0c790e6974e7e02bde8909fd8 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.478 CC(C)N(C=O)c1ccccn1 bf9e5e4b2ec097904780d85032eb08ab [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.478 CCN(C(=O)C)c1ccccn1 6b1b53f87ac82d1362da592fc9df66f0 [0,2,0,0,0,0|2,0,0]=4 1604 B12R1.478 CCN(C(=O)C)c1cccnc1 9012d027ed000d64e84a067dc20ed86f [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.478 CCN(C(=O)C)c1ccncc1 ee96d08c388ee5d4c9fad0a9a5691897 [0,2,0,0,0,0|2,0,0]=4 1606 B12R1.16 C=CCN(C)c1ccc(cc1)Br 0f962247116e092c1b399484166ccf60 [0,2,0,0,0,0|2,0,0]=4 1607 B12R1.16 C=CCN(C)c1ccc(cc1)C f5ade8376799a16a02cb89f83a85e6c0 [0,2,0,0,0,0|2,0,0]=4 1608 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 96e8ed0df6368814e7763049eb1baa9f [0,2,0,0,0,0|2,0,0]=4 1609 B12R1.16 C=CCN(C)c1ccc(cc1)F 7a862f3dbe88231930f96da7250091a5 [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.16 C=CCN(C)c1ccc(cc1)I 2821acf7aaf4013581c1365bc190257b [0,2,0,0,0,0|2,0,0]=4 1611 B12R1.16 C=CCN(C)c1ccc(cc1)S 5f5645310da21e2beba1a033523459c6 [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.16 CC(NC#N)c1ccc(cc1)F 9baef143f786d148605e366765ab0810 [0,2,0,0,0,0|1,0,1]=4 1613 B12R1.16 CC(NC=O)c1ccc(cc1)Br cec71a2e12deb71965cf35d5a231fc60 [0,2,0,0,0,0|0,0,0]=2 1614 B12R1.16 CC(NC=O)c1ccc(cc1)Cl 62e65df99c635fd0849e029d2b9d82e7 [0,2,0,0,0,0|0,0,0]=2 1615 B12R1.16 CC(NC=O)c1ccc(cc1)F 0f9fe39f998705faa24ec3c466127abc [0,2,0,0,0,0|0,0,0]=2 1616 B12R1.16 CC(NC=O)c1ccc(cc1)I d1de771e1351186285cef45bafc743a8 [0,2,0,0,0,0|0,0,0]=2 1617 B12R1.16 CC(NC=O)c1ccc(cc1)O 780ccb482900816d5583401c25a067a8 [0,2,0,0,0,0|0,0,0]=2 1618 B12R1.16 CC(NC=O)c1ccc(cn1)Br 200e04d409b91aef6a35f4c91377fa44 [0,2,0,0,0,0|1,0,0]=3 1619 B12R1.16 CC(NC=O)c1ccc(cn1)Cl cf264683ff6cd4c9ac6a256964ca4c06 [0,2,0,0,0,0|1,0,0]=3 1620 B12R1.16 CC(NC=O)c1ccc(cn1)F 0c4dd7a316655eb2021c463eee4ccfcd [0,2,0,0,0,0|1,0,0]=3 1621 B12R1.16 CC(NC=O)c1ccc(nc1)Br 8a0c316bc340ddf3a8d3ece011a4ba9a [0,2,0,0,0,0|1,0,0]=3 1622 B12R1.16 CC(NC=O)c1ccc(nc1)Cl 0bcb123326e005e6b21c0a751b4bcaaf [0,2,0,0,0,0|1,0,0]=3 1623 B12R1.16 CC(NC=O)c1ccc(nc1)F 4d23a925b85eeefd13744bcb79f9dcc6 [0,2,0,0,0,0|1,0,0]=3 1624 B12R1.16 CC(NC=O)c1ncc(cn1)F 56c0712f3d26d82e6d78f9949d305058 [0,2,0,0,0,0|2,0,0]=4 1625 B12R1.16 CC(NCF)c1ccc(cc1)F e3184fa4c42ae84d1c9ef936216c69a2 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.16 CC(NCF)c1ccc(cc1)I f2151bf5edf37061e6e1092a8c2147a8 [0,2,0,0,0,0|1,0,1]=4 1627 B12R1.16 CC(NCO)c1ccc(cc1)Br e264284758536dfc8fd891f61c9a75cc [0,2,0,0,0,0|0,0,2]=4 1628 B12R1.16 CC(NCO)c1ccc(cc1)Cl 50ceb9a6f3e8c24248339e2481d8c9af [0,2,0,0,0,0|0,0,2]=4 1629 B12R1.16 CC(NCO)c1ccc(cc1)F 23a029e032bb878119d4a3308cec3264 [0,2,0,0,0,0|0,0,2]=4 1630 B12R1.16 CC(NCO)c1ccc(cc1)I 5b775b5cd3bc6f45567774a49e261411 [0,2,0,0,0,0|0,0,2]=4 1631 B12R1.16 CC(OCF)c1ccc(cc1)Br 236b3907feecec97ec17720249b19928 [0,2,0,0,0,0|1,0,1]=4 1632 B12R1.16 CC(OCF)c1ccc(cc1)Cl 83333c6b37c7786b1791b8fe58d88452 [0,2,0,0,0,0|1,0,1]=4 1633 B12R1.16 CC(OCF)c1ccc(cc1)F 8c37a0b4d137a61dd127c7f36d203962 [0,2,0,0,0,0|1,0,1]=4 1634 B12R1.16 CC(OCF)c1ccc(cc1)I bdda7360c180e4619e05145b589292de [0,2,0,0,0,0|1,0,1]=4 1635 B12R1.16 CCNC(C)c1ccc(cc1)C a50a292b0f9ab98a935a045bf6f5df18 [0,2,0,0,0,0|1,0,1]=4 1636 B12R1.16 CCNC(C)c1ccc(cc1)F 90b07bc2b2295f4c41db42242c518735 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.16 CCNC(C)c1ccc(cc1)I 08a361f82931829d0267b9a6741fe60a [0,2,0,0,0,0|1,0,1]=4 1638 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C 0ed8e55d6183d258b51cdca6296060eb [0,2,0,0,0,0|1,0,1]=4 1639 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 1cdeff47614cd0408e972403b21ec1f4 [0,2,0,0,0,0|1,0,1]=4 1640 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I d8251c0e8ba76150b133d569aa22ac48 [0,2,0,0,0,0|1,0,1]=4 1641 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 156165d95a1b59d54961645431890c7a [0,2,0,0,0,0|1,0,1]=4 1642 B12R1.16 CCN[C@H](C)c1ccc(cc1)F ae87029077c5b327ded4690eccde6389 [0,2,0,0,0,0|1,0,1]=4 1643 B12R1.16 CCN[C@H](C)c1ccc(cc1)I 2a878af2411beb0b90eb41ee2af406ec [0,2,0,0,0,0|1,0,1]=4 1644 B12R1.16 CCOC(C)c1ccc(cc1)Br 982b0de4fe585ef0ed4de9a2ad175c76 [0,2,0,0,0,0|1,0,1]=4 1645 B12R1.16 CCOC(C)c1ccc(cc1)C 396c60b3d54a12f6e40154fa61bed9a2 [0,2,0,0,0,0|1,0,1]=4 1646 B12R1.16 CCOC(C)c1ccc(cc1)Cl f3e42c6226de75401fcbe78959e283b4 [0,2,0,0,0,0|1,0,1]=4 1647 B12R1.16 CCOC(C)c1ccc(cc1)F aa2360b399b3a087ca1f4c68307ca7f9 [0,2,0,0,0,0|1,0,1]=4 1648 B12R1.16 CCOC(C)c1ccc(cc1)I df7946fcea9073fd52039fd14b542186 [0,2,0,0,0,0|1,0,1]=4 1649 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Br baebd2a419f28b0a8d634bb2e1beabd2 [0,2,0,0,0,0|1,0,1]=4 1650 B12R1.16 CCO[C@@H](C)c1ccc(cc1)C 4b30f3a8366a8fb2f9c8e9aab05e6a26 [0,2,0,0,0,0|1,0,1]=4 1651 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl b58e0ece298e7501aaf1b8b3f7a60aa4 [0,2,0,0,0,0|1,0,1]=4 1652 B12R1.16 CCO[C@@H](C)c1ccc(cc1)F 4ecc8dc42f537f03870cfcf5e10780d9 [0,2,0,0,0,0|1,0,1]=4 1653 B12R1.16 CCO[C@@H](C)c1ccc(cc1)I c1b200e42035110d73ed51b5e0160363 [0,2,0,0,0,0|1,0,1]=4 1654 B12R1.16 CCO[C@H](C)c1ccc(cc1)Br ad3a9b113cf467bd3633b78e4753cf67 [0,2,0,0,0,0|1,0,1]=4 1655 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 2b0a96f73189e636184d743f74d1f9b2 [0,2,0,0,0,0|1,0,1]=4 1656 B12R1.16 CCO[C@H](C)c1ccc(cc1)Cl 733a1736cadd5d822b040a3bf9e6e663 [0,2,0,0,0,0|1,0,1]=4 1657 B12R1.16 CCO[C@H](C)c1ccc(cc1)F b784fadab1e81279e11581819d36414a [0,2,0,0,0,0|1,0,1]=4 1658 B12R1.16 CCO[C@H](C)c1ccc(cc1)I 1b18a984c01fe648b9af7b33a1359669 [0,2,0,0,0,0|1,0,1]=4 1659 B12R1.16 CN(CC=O)c1ccc(cc1)Br b2253658ebf9495bf3aa8a66ce8004e3 [0,2,0,0,0,0|1,0,0]=3 1660 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 6f82cfc4c98b3d8f1fdea20562a0c1da [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.16 CN(CC=O)c1ccc(cc1)F 3dd0cfee2af7b819e09eac9c0710d924 [0,2,0,0,0,0|1,0,0]=3 1662 B12R1.16 CN(CC=O)c1ccc(cc1)I f8ce3023c5b408882a0ecb66a733e0a5 [0,2,0,0,0,0|1,0,0]=3 1663 B12R1.16 CN(CC=O)c1ccc(cc1)S 67c6f66320a72c9c50fce3815233c732 [0,2,0,0,0,0|1,0,0]=3 1664 B12R1.16 CN(CC=O)c1ccc(cn1)Br 386d5664bb40c56f9074b05a3b2ff6ba [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.16 CN(CC=O)c1ccc(cn1)Cl 3d7cb56a02fd835b9a496cd39fc303e8 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.16 CN(CC=O)c1ccc(cn1)F a2eb80400fb0150504db98e517fb2f95 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.16 CN(CC=O)c1ccc(cn1)I 0c9525482ba4a38cf90c2236222a56da [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.16 CN(CC=O)c1ccc(nc1)Br 5342b507ff3a14c5d7e96daf8c9737f7 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.16 CN(CC=O)c1ccc(nc1)Cl 8d7e844020a60edc6c73d02e9bba260c [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.16 CN(CC=O)c1ccc(nc1)F 1f4702479e0b6156515df9ab2f96b9b5 [0,2,0,0,0,0|2,0,0]=4 1671 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Br d8cd2d0f202e812d46c79a98bbb605a5 [0,2,0,0,0,0|0,0,0]=2 1672 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Cl f8ea50f9bfe9365c99981d786edec9ea [0,2,0,0,0,0|0,0,0]=2 1673 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)F 364ed9bf4d394113c9a722efda88774d [0,2,0,0,0,0|0,0,0]=2 1674 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)I 6943534d6332bfef5b4540520bab5a4e [0,2,0,0,0,0|0,0,0]=2 1675 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)O 8ddca235e244438dd47aa40b48c86cd2 [0,2,0,0,0,0|0,0,0]=2 1676 B12R1.16 C[C@@H](NC=O)c1ccc(cn1)Br dc47eabdfd7216951309d1e979becd3f [0,2,0,0,0,0|1,0,0]=3 1677 B12R1.16 C[C@@H](NC=O)c1ccc(nc1)Br 78a5752b849e55745b6cca4eb7a8f00c [0,2,0,0,0,0|1,0,0]=3 1678 B12R1.16 C[C@@H](NC=O)c1ccc(nc1)Cl 8786e5e10623bbdf29c3d6183c0ab61a [0,2,0,0,0,0|1,0,0]=3 1679 B12R1.16 C[C@@H](NC=O)c1cnc(nc1)Cl 9d8b8ac8d125fabb54a5c1816bcc03f5 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.16 C[C@@H](NC=O)c1ncc(cn1)F 203a6c349f6a27b7b672dbd93c9f6743 [0,2,0,0,0,0|2,0,0]=4 1681 B12R1.16 C[C@@H](NCF)c1ccc(cc1)F 2c2720ca35eedaa74ba98bd126a7b434 [0,2,0,0,0,0|1,0,1]=4 1682 B12R1.16 C[C@@H](NCF)c1ccc(cc1)I 63e69ab8ae3622f8a20bb2d4249ee750 [0,2,0,0,0,0|1,0,1]=4 1683 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Br c6b6a70a9b2dd44f9426c662be2d9c9c [0,2,0,0,0,0|0,0,2]=4 1684 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Cl 277abe0b1b70407116a774272f8f041f [0,2,0,0,0,0|0,0,2]=4 1685 B12R1.16 C[C@@H](NCO)c1ccc(cc1)F 3ccc055b9e8bf808e9a760cdb1260a44 [0,2,0,0,0,0|0,0,2]=4 1686 B12R1.16 C[C@@H](NCO)c1ccc(cc1)I 2ef404df7004faa0f0c6fdd986814320 [0,2,0,0,0,0|0,0,2]=4 1687 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Br a559ccb2f0b3df3219b286e8b79a2f55 [0,2,0,0,0,0|1,0,1]=4 1688 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Cl 6d6b455e74677e915c3fb0b91a4e0c0d [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.16 C[C@@H](OCF)c1ccc(cc1)F 10dabee5a34917a287411d72a32ff354 [0,2,0,0,0,0|1,0,1]=4 1690 B12R1.16 C[C@@H](OCF)c1ccc(cc1)I 2c2f78576465480dc40f2fc0df0c2a0e [0,2,0,0,0,0|1,0,1]=4 1691 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Br 2b80ae29ecdd4076f4f5249ff743ea74 [0,2,0,0,0,0|0,0,0]=2 1692 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Cl 6cedc228bdb04fde67af32200068cea2 [0,2,0,0,0,0|0,0,0]=2 1693 B12R1.16 C[C@H](NC=O)c1ccc(cc1)F daf6ac4c823126d2fbb6db18061b56cc [0,2,0,0,0,0|0,0,0]=2 1694 B12R1.16 C[C@H](NC=O)c1ccc(cc1)I 65b879518ec9b87f725b84c739a60426 [0,2,0,0,0,0|0,0,0]=2 1695 B12R1.16 C[C@H](NC=O)c1ccc(cc1)O 89da72b6ae407036db86e3fe7542cc39 [0,2,0,0,0,0|0,0,0]=2 1696 B12R1.16 C[C@H](NC=O)c1ccc(cn1)Br fab2a856bba62c3dd7fc180ec0cc71d0 [0,2,0,0,0,0|1,0,0]=3 1697 B12R1.16 C[C@H](NC=O)c1ccc(cn1)Cl 89979af5327ffabac4b6398285ef72f0 [0,2,0,0,0,0|1,0,0]=3 1698 B12R1.16 C[C@H](NC=O)c1ccc(cn1)F 512aa49b04e9182a8e54fb40b06df43a [0,2,0,0,0,0|1,0,0]=3 1699 B12R1.16 C[C@H](NC=O)c1ccc(nc1)Br 98aef9351ce3eb48b0f24717929a5814 [0,2,0,0,0,0|1,0,0]=3 1700 B12R1.16 C[C@H](NC=O)c1ccc(nc1)Cl c29d2e4261ddce124642f07a604ad6cc [0,2,0,0,0,0|1,0,0]=3 1701 B12R1.16 C[C@H](NC=O)c1ncc(cn1)F eace2f7883a36643f4f8ef2fd3bb152c [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 8349596821e8c5f0a9f3ecaa613ee363 [0,2,0,0,0,0|1,0,1]=4 1703 B12R1.16 C[C@H](NCF)c1ccc(cc1)I d016577ede5e80390b1cac6bf8279b8b [0,2,0,0,0,0|1,0,1]=4 1704 B12R1.16 C[C@H](NCO)c1ccc(cc1)Br c112b1ab773d0ee6c20418ed7c378e51 [0,2,0,0,0,0|0,0,2]=4 1705 B12R1.16 C[C@H](NCO)c1ccc(cc1)Cl 8aca1f606b786514917b510d66c1fab5 [0,2,0,0,0,0|0,0,2]=4 1706 B12R1.16 C[C@H](NCO)c1ccc(cc1)F 223505081048da9ae4e8d6a9b94d01a9 [0,2,0,0,0,0|0,0,2]=4 1707 B12R1.16 C[C@H](NCO)c1ccc(cc1)I a08bb1bb1f3e3d6214e12b19fda00f9d [0,2,0,0,0,0|0,0,2]=4 1708 B12R1.16 C[C@H](OCF)c1ccc(cc1)Br 7aabaa75140816c96ee3928e62b15dd9 [0,2,0,0,0,0|1,0,1]=4 1709 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 4e81ce6cd9d962c868d57129bdae2a9e [0,2,0,0,0,0|1,0,1]=4 1710 B12R1.16 C[C@H](OCF)c1ccc(cc1)F 289cf3b0de93cb59c2ff0b7ab2420e05 [0,2,0,0,0,0|1,0,1]=4 1711 B12R1.16 C[C@H](OCF)c1ccc(cc1)I 65c70a6662e664ad837470f8fd4fa259 [0,2,0,0,0,0|1,0,1]=4 1712 B12R1.16 Cc1ccc(cc1)C(C)NC=O 4445dae333f700acf8229460410d7a46 [0,2,0,0,0,0|0,0,0]=2 1713 B12R1.16 Cc1ccc(cc1)C(C)NCF 1d5731703f4077c8ef67df98d3c94f4e [0,2,0,0,0,0|1,0,1]=4 1714 B12R1.16 Cc1ccc(cc1)C(C)NCO 6e45f6689dbe224a21e83db0dd19e6de [0,2,0,0,0,0|0,0,2]=4 1715 B12R1.16 Cc1ccc(cc1)C(C)OCF e9d60b83476771ae90e246ba316a36fb [0,2,0,0,0,0|1,0,1]=4 1716 B12R1.16 Cc1ccc(cc1)N(C)CC=O f338b4b27d8d005a35695138d65e3bf4 [0,2,0,0,0,0|1,0,0]=3 1717 B12R1.16 Cc1ccc(cc1)[C@@H](C)NC=O 5f78b07bded280584507dffb0d576dae [0,2,0,0,0,0|0,0,0]=2 1718 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 0a0cd8cc9b79ef2fcf8f9739269f827c [0,2,0,0,0,0|1,0,1]=4 1719 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCO 6ad3623e107a53b7c7c6d36133d94314 [0,2,0,0,0,0|0,0,2]=4 1720 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 13a5bd08c8932589c6d7751c4d108245 [0,2,0,0,0,0|1,0,1]=4 1721 B12R1.16 Cc1ccc(cc1)[C@H](C)NC=O ea7c4fbe59767ff43724e5251e9552d4 [0,2,0,0,0,0|0,0,0]=2 1722 B12R1.16 Cc1ccc(cc1)[C@H](C)NCF 2390ee34e9a21252d067df59327a8866 [0,2,0,0,0,0|1,0,1]=4 1723 B12R1.16 Cc1ccc(cc1)[C@H](C)NCO 3620253068391a97254572594e674572 [0,2,0,0,0,0|0,0,2]=4 1724 B12R1.16 Cc1ccc(cc1)[C@H](C)OCF 0f88a2e92752d13fef78fe01f4ed8f81 [0,2,0,0,0,0|1,0,1]=4 1725 B12R1.16 Cc1ccc(cn1)C(C)NC=O 653023f91d09fa48c6e281d6eb4be5b1 [0,2,0,0,0,0|1,0,0]=3 1726 B12R1.16 Cc1ccc(cn1)N(C)CC=O 6e4889d4296bfca82c27f9f1fe67c24b [0,2,0,0,0,0|2,0,0]=4 1727 B12R1.16 Cc1ccc(cn1)[C@@H](C)NC=O b9358481bb5f8026a1babcd79b8a7e0a [0,2,0,0,0,0|1,0,0]=3 1728 B12R1.16 Cc1ccc(cn1)[C@H](C)NC=O c8f434e29f0ecadf2869c487353bbf9a [0,2,0,0,0,0|1,0,0]=3 1729 B12R1.16 Cc1ccc(nc1)C(C)NC=O 762cc2c42d6edc7c6fce354b2af8a9bd [0,2,0,0,0,0|1,0,0]=3 1730 B12R1.16 Cc1ccc(nc1)N(C)CC=O 3af6ab291f599c0e9da2552b95ff28d7 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.16 Cc1ccc(nc1)[C@@H](C)NC=O 77969a4823596ea7baa6f55b4a737081 [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.16 Cc1cnc(nc1)C(C)NC=O 3f77ec5d9113881942f3d477a805cac8 [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.16 Cc1cnc(nc1)[C@H](C)NC=O fcf5ca6a5a51fb86fd0f7c07e7cf3328 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.17 C=CCN(C)c1cccc(c1)Br 208d11e7e77be4b3bfe71ee8b2914f01 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.17 C=CCN(C)c1cccc(c1)C 82493503f7868e233a8e1c13e06aa26f [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.17 C=CCN(C)c1cccc(c1)Cl 9cfc093e92494ec1a0d3e5ab22edf8be [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.17 C=CCN(C)c1cccc(c1)F e602343eb174a39d39c38a56805e75ab [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.17 C=CCN(C)c1cccc(c1)I 5d25c621d67ed452aa99f39011a4957f [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.17 C=CCN(C)c1cccc(c1)O b2f2ef5ecbd5593bb729a5e0e49d0c58 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.17 C=CCN(C)c1cccc(c1)S 9e6f9b745e3bdf602c9dd60a2e096983 [0,2,0,0,0,0|2,0,0]=4 1741 B12R1.17 CC(NC#N)c1cccc(c1)Cl 3bda30ca5c387462bfe11f25ad29b733 [0,2,0,0,0,0|1,0,1]=4 1742 B12R1.17 CC(NC#N)c1cccc(c1)F fb62a8e9caec6ecbd6517dc88168746e [0,2,0,0,0,0|1,0,1]=4 1743 B12R1.17 CC(NC=O)c1cc(ccn1)Cl f0731fa8ba3d2fffb291478b42ff5d34 [0,2,0,0,0,0|1,0,0]=3 1744 B12R1.17 CC(NC=O)c1cccc(c1)Br 097d75d4e414cf41a004bcc82a8470d6 [0,2,0,0,0,0|0,0,0]=2 1745 B12R1.17 CC(NC=O)c1cccc(c1)Cl d77dc28070cdddd314b9cb5faee6a2da [0,2,0,0,0,0|0,0,0]=2 1746 B12R1.17 CC(NC=O)c1cccc(c1)F b0d58d69768f99597ae969e0072a905b [0,2,0,0,0,0|0,0,0]=2 1747 B12R1.17 CC(NC=O)c1cccc(c1)O 2c8a8b6d99b918ad5a3f4b13f5fefc68 [0,2,0,0,0,0|0,0,0]=2 1748 B12R1.17 CC(NC=O)c1cccc(n1)Br 66f42c7e89781e84bb5689fcf06b8092 [0,2,0,0,0,0|1,0,0]=3 1749 B12R1.17 CC(NC=O)c1cccc(n1)Cl a184b0641e69b3c1033c0f6bd0cbacab [0,2,0,0,0,0|1,0,0]=3 1750 B12R1.17 CC(NC=O)c1cccc(n1)F 4e023cba2a4cffb9cceec21393fd8d58 [0,2,0,0,0,0|1,0,0]=3 1751 B12R1.17 CC(NC=O)c1ccnc(c1)O 357e406eca524a2ba142102f72de5344 [0,2,0,0,0,0|1,0,0]=3 1752 B12R1.17 CC(NC=O)c1cncc(c1)F 22b1dba5280af1864c6e146e3439c1f3 [0,2,0,0,0,0|1,0,0]=3 1753 B12R1.17 CC(NCF)c1cccc(c1)Br a2bf6ac8599b4fdc533428a0a167007b [0,2,0,0,0,0|1,0,1]=4 1754 B12R1.17 CC(NCF)c1cccc(c1)Cl 4c7f84cd6c39a51029b777465c7d6c95 [0,2,0,0,0,0|1,0,1]=4 1755 B12R1.17 CC(NCF)c1cccc(c1)F 9494b4cbaacf534daa070aaa11205da8 [0,2,0,0,0,0|1,0,1]=4 1756 B12R1.17 CC(NCO)c1cccc(c1)Br 922e64f914a2d632d7487974626feb20 [0,2,0,0,0,0|0,0,2]=4 1757 B12R1.17 CC(NCO)c1cccc(c1)Cl 73fe839960baaaa01e59634dd685dbb1 [0,2,0,0,0,0|0,0,2]=4 1758 B12R1.17 CC(NCO)c1cccc(c1)F f0652a3f82e27702014e62d0566a1de9 [0,2,0,0,0,0|0,0,2]=4 1759 B12R1.17 CC(OCF)c1cccc(c1)Br 01ca5a07dd81c7a95fe1bcc746ec9e7d [0,2,0,0,0,0|1,0,1]=4 1760 B12R1.17 CC(OCF)c1cccc(c1)Cl 779988336410abd4eac123ce57f5e2f3 [0,2,0,0,0,0|1,0,1]=4 1761 B12R1.17 CC(OCF)c1cccc(c1)F b9dd2c50cb926ad35e251041562dcc7e [0,2,0,0,0,0|1,0,1]=4 1762 B12R1.17 CC(OCF)c1cccc(c1)I 47eaf0683a1d125a502deea14ce1bd87 [0,2,0,0,0,0|1,0,1]=4 1763 B12R1.17 CCNC(C)c1cccc(c1)Br e6c9fd584e7feb4e758a650f51e22ccc [0,2,0,0,0,0|1,0,1]=4 1764 B12R1.17 CCNC(C)c1cccc(c1)C db8e6428335d8b366ee39d6e277943db [0,2,0,0,0,0|1,0,1]=4 1765 B12R1.17 CCNC(C)c1cccc(c1)Cl 51c25d2dceca4ad868198756d2f3ea90 [0,2,0,0,0,0|1,0,1]=4 1766 B12R1.17 CCNC(C)c1cccc(c1)F 6a89435cbf3436c2764f23c876d831b5 [0,2,0,0,0,0|1,0,1]=4 1767 B12R1.17 CCN[C@@H](C)c1cccc(c1)Br 6882c062be643e6f1479c43382a1f97e [0,2,0,0,0,0|1,0,1]=4 1768 B12R1.17 CCN[C@@H](C)c1cccc(c1)C ad1678c586d84563b274dd5bcfd4c65b [0,2,0,0,0,0|1,0,1]=4 1769 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl 85c185ae290690f3266862442a2473d8 [0,2,0,0,0,0|1,0,1]=4 1770 B12R1.17 CCN[C@@H](C)c1cccc(c1)F 0dedb0b66bba28f84038e5ae70474542 [0,2,0,0,0,0|1,0,1]=4 1771 B12R1.17 CCN[C@@H](C)c1cccc(c1)I e0c90057fd046352ca9827408e1c3425 [0,2,0,0,0,0|1,0,1]=4 1772 B12R1.17 CCN[C@H](C)c1cccc(c1)Br 5c6dbc44b6f3f8ec6a8c3fa96245bb1d [0,2,0,0,0,0|1,0,1]=4 1773 B12R1.17 CCN[C@H](C)c1cccc(c1)C bb6f09b8be3dec841bef80f5325226bf [0,2,0,0,0,0|1,0,1]=4 1774 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl 07473dd26a362400745fd7b6b88adc2a [0,2,0,0,0,0|1,0,1]=4 1775 B12R1.17 CCN[C@H](C)c1cccc(c1)F e235faf6f177090ebbe131406ad51bf5 [0,2,0,0,0,0|1,0,1]=4 1776 B12R1.17 CCOC(C)c1cccc(c1)Br 42ca494baf4aa0a38e9fb3366b773268 [0,2,0,0,0,0|1,0,1]=4 1777 B12R1.17 CCOC(C)c1cccc(c1)C 77489ca20b0c159fdffd29d1744d738a [0,2,0,0,0,0|1,0,1]=4 1778 B12R1.17 CCOC(C)c1cccc(c1)Cl d76065522f99861b8f31d7f88c32d628 [0,2,0,0,0,0|1,0,1]=4 1779 B12R1.17 CCOC(C)c1cccc(c1)F 724570a61f9c9797e61dce1db0386846 [0,2,0,0,0,0|1,0,1]=4 1780 B12R1.17 CCOC(C)c1cccc(c1)I d454d6b1d8844d9b454c0363645bbb70 [0,2,0,0,0,0|1,0,1]=4 1781 B12R1.17 CCO[C@@H](C)c1cccc(c1)Br a6bcaa4e35963ce1794b8e13e8f20ac9 [0,2,0,0,0,0|1,0,1]=4 1782 B12R1.17 CCO[C@@H](C)c1cccc(c1)C 33dd0e36ecc47e9d30382124af23bb72 [0,2,0,0,0,0|1,0,1]=4 1783 B12R1.17 CCO[C@@H](C)c1cccc(c1)Cl a0cb09592617352d4e52595d42a99fc5 [0,2,0,0,0,0|1,0,1]=4 1784 B12R1.17 CCO[C@@H](C)c1cccc(c1)F dc0d46b451aae28446975dff011877bb [0,2,0,0,0,0|1,0,1]=4 1785 B12R1.17 CCO[C@H](C)c1cccc(c1)Br b1e5cf473b6a64a7764f8f222a9041d3 [0,2,0,0,0,0|1,0,1]=4 1786 B12R1.17 CCO[C@H](C)c1cccc(c1)C f495253381fbba7e8b85f8c69e274296 [0,2,0,0,0,0|1,0,1]=4 1787 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 0ea8aa6694bd99a0876fd9dc9ea2a396 [0,2,0,0,0,0|1,0,1]=4 1788 B12R1.17 CCO[C@H](C)c1cccc(c1)F e6c9bbadd74036f7f872059480f0031e [0,2,0,0,0,0|1,0,1]=4 1789 B12R1.17 CN(CC=O)c1cc(ccn1)Br 1c011db48da8ede8959765dd056e4dd2 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.17 CN(CC=O)c1cc(ccn1)Cl 9d02bd0dd236276eb6d71a2b68a0b697 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.17 CN(CC=O)c1cc(ccn1)F aba4337275b1e8ce3b6936f85b275595 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.17 CN(CC=O)c1cc(ccn1)I e819ab6e8009fa33fb93dfbc6241df8e [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.17 CN(CC=O)c1cccc(c1)Br 6db038b0abc52891849cdfa23da9524d [0,2,0,0,0,0|1,0,0]=3 1794 B12R1.17 CN(CC=O)c1cccc(c1)Cl 80cca0a463dc60d932fa8da323377a65 [0,2,0,0,0,0|1,0,0]=3 1795 B12R1.17 CN(CC=O)c1cccc(c1)F e2880487ef33602948b78c5deaf912ac [0,2,0,0,0,0|1,0,0]=3 1796 B12R1.17 CN(CC=O)c1cccc(c1)I 06861d7736167c00077e2ca78d0f942d [0,2,0,0,0,0|1,0,0]=3 1797 B12R1.17 CN(CC=O)c1cccc(n1)Br aa0d04f5ce3ea448a7f36ae753d3a27d [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.17 CN(CC=O)c1cccc(n1)Cl 203d0724e63f3a1caa1ee56fd3f1029c [0,2,0,0,0,0|2,0,0]=4 1799 B12R1.17 CN(CC=O)c1cccc(n1)F 3aae7947cd97ad09d446ab045172f6f2 [0,2,0,0,0,0|2,0,0]=4 1800 B12R1.17 CN(CC=O)c1ccnc(c1)Br 73a774fbed67ee2de2683004467e06f3 [0,2,0,0,0,0|2,0,0]=4 1801 B12R1.17 CN(CC=O)c1ccnc(c1)Cl 69d33d8c479aa73dc692578b9cebf4c3 [0,2,0,0,0,0|2,0,0]=4 1802 B12R1.17 CN(CC=O)c1ccnc(c1)F 9ebab692d8dcd357b13ca22d004ab94e [0,2,0,0,0,0|2,0,0]=4 1803 B12R1.17 CN(CC=O)c1cncc(c1)Br ffcbd224abdf319666f027e83e4606a7 [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.17 C[C@@H](NC=O)c1cccc(c1)Br a183672b7c61cc3a3878e0c98ffa9d85 [0,2,0,0,0,0|0,0,0]=2 1805 B12R1.17 C[C@@H](NC=O)c1cccc(c1)Cl 8e52f0b299c9ead061d7fa130456a44a [0,2,0,0,0,0|0,0,0]=2 1806 B12R1.17 C[C@@H](NC=O)c1cccc(c1)F a7562fcb2b9d022817fc067b9234eb27 [0,2,0,0,0,0|0,0,0]=2 1807 B12R1.17 C[C@@H](NC=O)c1cccc(c1)O bb164cc9a9d0db21437c3f39f1bc5b59 [0,2,0,0,0,0|0,0,0]=2 1808 B12R1.17 C[C@@H](NC=O)c1cccc(n1)Br 95fd475e4ec17dd16c7ff03df2bd0c51 [0,2,0,0,0,0|1,0,0]=3 1809 B12R1.17 C[C@@H](NC=O)c1ccnc(c1)Br 6a6a9bb04ea4836790b5c841304fcb3d [0,2,0,0,0,0|1,0,0]=3 1810 B12R1.17 C[C@@H](NC=O)c1ccnc(c1)Cl b32d9fdd8dde30e83f7b2f72d76cf862 [0,2,0,0,0,0|1,0,0]=3 1811 B12R1.17 C[C@@H](NC=O)c1cncc(c1)Cl 1b3500c146f21fc47fdc5157d6d97382 [0,2,0,0,0,0|1,0,0]=3 1812 B12R1.17 C[C@@H](NCF)c1cccc(c1)Br b6f8c9bd09110a695ab69e835a11528f [0,2,0,0,0,0|1,0,1]=4 1813 B12R1.17 C[C@@H](NCF)c1cccc(c1)Cl 51273893323908f404d0771452cfa891 [0,2,0,0,0,0|1,0,1]=4 1814 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 8e7cfaa12936ce28fa901d54b1a42650 [0,2,0,0,0,0|1,0,1]=4 1815 B12R1.17 C[C@@H](NCO)c1cccc(c1)Br f4e23e99bc0af39389f5e820105091c6 [0,2,0,0,0,0|0,0,2]=4 1816 B12R1.17 C[C@@H](NCO)c1cccc(c1)Cl 66919fef6442a963feb11c547bf0f444 [0,2,0,0,0,0|0,0,2]=4 1817 B12R1.17 C[C@@H](NCO)c1cccc(c1)F af0a186842d46dc3d160d1d73b074e17 [0,2,0,0,0,0|0,0,2]=4 1818 B12R1.17 C[C@@H](OCF)c1cccc(c1)Br 3635f89a50b809c06e2b3cdfa5d2c51c [0,2,0,0,0,0|1,0,1]=4 1819 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl ce1b56b0348a5f75a7d08f4ba9a2645e [0,2,0,0,0,0|1,0,1]=4 1820 B12R1.17 C[C@@H](OCF)c1cccc(c1)F db90468b8247fcc2691f8c1eae8f3170 [0,2,0,0,0,0|1,0,1]=4 1821 B12R1.17 C[C@H](NC=O)c1cccc(c1)Br d855ef663fb29eb5f3bb7898b524d921 [0,2,0,0,0,0|0,0,0]=2 1822 B12R1.17 C[C@H](NC=O)c1cccc(c1)Cl 7cef89c5bd4340a2172d87ccc457214c [0,2,0,0,0,0|0,0,0]=2 1823 B12R1.17 C[C@H](NC=O)c1cccc(c1)F a38e9085a53bff285f5340550e2da66c [0,2,0,0,0,0|0,0,0]=2 1824 B12R1.17 C[C@H](NC=O)c1cccc(c1)I 3a8b5f517440b8ad1ced902a5448d32a [0,2,0,0,0,0|0,0,0]=2 1825 B12R1.17 C[C@H](NC=O)c1cccc(c1)O ac64b60170e17222c81c7148f30e63e8 [0,2,0,0,0,0|0,0,0]=2 1826 B12R1.17 C[C@H](NC=O)c1cccc(n1)Br 85ef39cf3a50bbbef244d6e92196f400 [0,2,0,0,0,0|1,0,0]=3 1827 B12R1.17 C[C@H](NC=O)c1ccnc(c1)Cl f65a38470ea6277c16fd4bdd5b4343ab [0,2,0,0,0,0|1,0,0]=3 1828 B12R1.17 C[C@H](NC=O)c1cncc(c1)Cl 4ad26769305a058e148778787507f3e5 [0,2,0,0,0,0|1,0,0]=3 1829 B12R1.17 C[C@H](NC=O)c1cncc(c1)F 15174d6417cda224ee60901babd69a5a [0,2,0,0,0,0|1,0,0]=3 1830 B12R1.17 C[C@H](NCF)c1cccc(c1)Br db0a4e2e6a3386ecd680ff15bbff55b6 [0,2,0,0,0,0|1,0,1]=4 1831 B12R1.17 C[C@H](NCF)c1cccc(c1)Cl 78a93a48938be6d811aa015374bd3a25 [0,2,0,0,0,0|1,0,1]=4 1832 B12R1.17 C[C@H](NCF)c1cccc(c1)F cb191264be636045c991bc9d5d685235 [0,2,0,0,0,0|1,0,1]=4 1833 B12R1.17 C[C@H](NCF)c1cccc(c1)I 963cc0fd84e434cdb5fe81b0537c5306 [0,2,0,0,0,0|1,0,1]=4 1834 B12R1.17 C[C@H](NCO)c1cccc(c1)Br 7ca4ed875cb62977d0b3495961086da4 [0,2,0,0,0,0|0,0,2]=4 1835 B12R1.17 C[C@H](NCO)c1cccc(c1)Cl 4a94abc52fcba40074ffa13791de35e2 [0,2,0,0,0,0|0,0,2]=4 1836 B12R1.17 C[C@H](NCO)c1cccc(c1)F 26286d84a69bcd3442b2384f5cacf4e4 [0,2,0,0,0,0|0,0,2]=4 1837 B12R1.17 C[C@H](NCO)c1cccc(c1)I 427d824bfdf0564f5453d07d6cb7fc73 [0,2,0,0,0,0|0,0,2]=4 1838 B12R1.17 C[C@H](OCF)c1cccc(c1)Br e07701f3eb8039891a25d9669ca4f86f [0,2,0,0,0,0|1,0,1]=4 1839 B12R1.17 C[C@H](OCF)c1cccc(c1)Cl d4085536390541eae57a7cc1f385cabd [0,2,0,0,0,0|1,0,1]=4 1840 B12R1.17 C[C@H](OCF)c1cccc(c1)F c4be0bb49a60701d42d09cbffc2347d5 [0,2,0,0,0,0|1,0,1]=4 1841 B12R1.17 Cc1cc(ccn1)C(C)NC=O a806cd3cbe694820503ea75960ef7c49 [0,2,0,0,0,0|1,0,0]=3 1842 B12R1.17 Cc1cc(ccn1)[C@@H](C)NC=O a324453925a19a21ed51fb99002a11c2 [0,2,0,0,0,0|1,0,0]=3 1843 B12R1.17 Cc1cc(ccn1)[C@H](C)NC=O 2510c468024c552838575a22824c7d36 [0,2,0,0,0,0|1,0,0]=3 1844 B12R1.17 Cc1cccc(c1)C(C)NC=O 9c68d6a0cf8e9d8618e1113f06ecf91a [0,2,0,0,0,0|0,0,0]=2 1845 B12R1.17 Cc1cccc(c1)C(C)NCF 7e3116c712611fefcdfd513800603318 [0,2,0,0,0,0|1,0,1]=4 1846 B12R1.17 Cc1cccc(c1)C(C)NCO 484ffc2c296fe00c0d77539815bedf5c [0,2,0,0,0,0|0,0,2]=4 1847 B12R1.17 Cc1cccc(c1)C(C)OCF 963db7b78a9268c2604a30dfb5ebd6c7 [0,2,0,0,0,0|1,0,1]=4 1848 B12R1.17 Cc1cccc(c1)N(C)CC=O fbf6a6e22784a7c92b503de5c31a1c8f [0,2,0,0,0,0|1,0,0]=3 1849 B12R1.17 Cc1cccc(c1)[C@@H](C)NC=O da8a6aa98c97a59af144d47673921011 [0,2,0,0,0,0|0,0,0]=2 1850 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF c486091fb8f9b65be6016b6eb85006ad [0,2,0,0,0,0|1,0,1]=4 1851 B12R1.17 Cc1cccc(c1)[C@@H](C)NCO 63ebfbb9109d04da9ae1a8c4632dbbee [0,2,0,0,0,0|0,0,2]=4 1852 B12R1.17 Cc1cccc(c1)[C@@H](C)OCF 1e508f4bbd9fe6fc7b8df0aa50acdaed [0,2,0,0,0,0|1,0,1]=4 1853 B12R1.17 Cc1cccc(c1)[C@H](C)NC=O 658f60e6193e2ff5526a80211a62dc8e [0,2,0,0,0,0|0,0,0]=2 1854 B12R1.17 Cc1cccc(c1)[C@H](C)NCF 0e7eb695a786eb23f0b219255d4a875f [0,2,0,0,0,0|1,0,1]=4 1855 B12R1.17 Cc1cccc(c1)[C@H](C)NCO 815974376dfce3e8219bd556a1e15106 [0,2,0,0,0,0|0,0,2]=4 1856 B12R1.17 Cc1cccc(c1)[C@H](C)OCF 936eb812ed1a822378b352f4016df5fc [0,2,0,0,0,0|1,0,1]=4 1857 B12R1.17 Cc1cccc(n1)C(C)NC=O 6f22f77c70ea5f132430d230b6b171df [0,2,0,0,0,0|1,0,0]=3 1858 B12R1.17 Cc1cccc(n1)N(C)CC=O 23d2183afde9e43c3569c102e6be7a50 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.17 Cc1cccc(n1)[C@H](C)NC=O c02aa9c9f30de0cf33b8c4c905989fae [0,2,0,0,0,0|1,0,0]=3 1860 B12R1.17 Cc1ccnc(c1)C(C)NC=O 5f5abf979de819ff3e83e6ae4ea9ee8e [0,2,0,0,0,0|1,0,0]=3 1861 B12R1.17 Cc1ccnc(c1)N(C)CC=O 9b37ce7c6b2e8052357019527816b960 [0,2,0,0,0,0|2,0,0]=4 1862 B12R1.17 Cc1cncc(c1)N(C)CC=O 9bd83a82424efa7bd249c4904f760053 [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.30 C#CCNC(C)c1ccccc1 8ed5828c2e258c30367c2a46a0344f1e [0,2,0,0,0,0|1,0,1]=4 1864 B12R1.30 C#CCN[C@@H](C)c1ccccc1 c2e57a43b39094fb9cc8c5d89eda2aec [0,2,0,0,0,0|1,0,1]=4 1865 B12R1.30 C#CCN[C@H](C)c1ccccc1 0027d86dcd1350148f8559798567d252 [0,2,0,0,0,0|1,0,1]=4 1866 B12R1.30 C#CCOC(C)c1ccccc1 29a457d91187748bd9fba937b2dce22a [0,2,0,0,0,0|1,0,1]=4 1867 B12R1.30 C#CCO[C@@H](C)c1ccccc1 a17750258d0bbb03a82d71c12a4ef66f [0,2,0,0,0,0|1,0,1]=4 1868 B12R1.30 C#CCO[C@H](C)c1ccccc1 daa23676a75f018b9eb1a615337c3d8a [0,2,0,0,0,0|1,0,1]=4 1869 B12R1.30 C/C=C/CN(C)c1ccccc1 6aca716f56cd50a3277e1a725da6237c [0,2,0,0,0,0|2,0,0]=4 1870 B12R1.30 C/C=C\CN(C)c1ccccc1 bf0cb6abe4ab1c9a8756fb864f282d12 [0,2,0,0,0,0|2,0,0]=4 1871 B12R1.30 C=CCCN(C)c1ccccc1 a374f5bd2d62273d4657e1e6ebbd42ca [0,2,0,0,0,0|2,0,0]=4 1872 B12R1.30 C=CCNC(C)c1ccccc1 fa2a8c61f42c61d4674c5e223d49122c [0,2,0,0,0,0|1,0,0]=3 1873 B12R1.30 C=CCNC(C)c1ccccn1 c871e35924d1285dbc4ab72286e49e42 [0,2,0,0,0,0|2,0,0]=4 1874 B12R1.30 C=CCNC(C)c1cccnc1 0b32b3808df75ac1abc47e7ee443b912 [0,2,0,0,0,0|2,0,0]=4 1875 B12R1.30 C=CCNC(C)c1ccncc1 457d37e779d21093d016488114dcb381 [0,2,0,0,0,0|2,0,0]=4 1876 B12R1.30 C=CCN[C@@H](C)c1ccccc1 600f83b5cdc08e60e339b69a1a0c1bbe [0,2,0,0,0,0|1,0,0]=3 1877 B12R1.30 C=CCN[C@@H](C)c1ccccn1 0c83b227f7279b700dffa4249ee218bc [0,2,0,0,0,0|2,0,0]=4 1878 B12R1.30 C=CCN[C@@H](C)c1cccnc1 7b67b7d420abac6de0551569def1f471 [0,2,0,0,0,0|2,0,0]=4 1879 B12R1.30 C=CCN[C@@H](C)c1ccncc1 9c49d234b6b866013cfdf56282064412 [0,2,0,0,0,0|2,0,0]=4 1880 B12R1.30 C=CCN[C@H](C)c1ccccc1 d607bf8a84d857931725e26673643b18 [0,2,0,0,0,0|1,0,0]=3 1881 B12R1.30 C=CCN[C@H](C)c1ccccn1 5725d2337792d58c3662e47d36012d96 [0,2,0,0,0,0|2,0,0]=4 1882 B12R1.30 C=CCN[C@H](C)c1cccnc1 f20826c37a4516ac6b351804865acdcc [0,2,0,0,0,0|2,0,0]=4 1883 B12R1.30 C=CCN[C@H](C)c1ccncc1 cb759c8fd44f0e712177b9f777176885 [0,2,0,0,0,0|2,0,0]=4 1884 B12R1.30 C=CCOC(C)c1ccccc1 8044d3406b23fdabe4ad5833cf2a8d4b [0,2,0,0,0,0|1,0,0]=3 1885 B12R1.30 C=CCOC(C)c1ccccn1 2c53cb9c7cda21871f7c62bd9f43124b [0,2,0,0,0,0|2,0,0]=4 1886 B12R1.30 C=CCOC(C)c1cccnc1 6dc91bf2a16463ee0dd83725dc389eb0 [0,2,0,0,0,0|2,0,0]=4 1887 B12R1.30 C=CCOC(C)c1ccncc1 b8947c80019239dff85d8a1dbcd28cfa [0,2,0,0,0,0|2,0,0]=4 1888 B12R1.30 C=CCO[C@@H](C)c1ccccc1 a727c5edd06769bc0527d3d68934d138 [0,2,0,0,0,0|1,0,0]=3 1889 B12R1.30 C=CCO[C@@H](C)c1ccccn1 5b7bf17d4a8db0cdcc2bae4ca7709554 [0,2,0,0,0,0|2,0,0]=4 1890 B12R1.30 C=CCO[C@@H](C)c1cccnc1 f10302f12c22d21fc261424c5814c83d [0,2,0,0,0,0|2,0,0]=4 1891 B12R1.30 C=CCO[C@@H](C)c1ccncc1 2893ffb7871937e4302f2c98dc192afa [0,2,0,0,0,0|2,0,0]=4 1892 B12R1.30 C=CCO[C@H](C)c1ccccc1 ff3f82ad85551dde7fcd068107420df1 [0,2,0,0,0,0|1,0,0]=3 1893 B12R1.30 C=CCO[C@H](C)c1ccccn1 d9e7624746bfc75b4b233508a3d3ba17 [0,2,0,0,0,0|2,0,0]=4 1894 B12R1.30 C=CCO[C@H](C)c1cccnc1 16db09e3b4a277e657db0a14a938e6cb [0,2,0,0,0,0|2,0,0]=4 1895 B12R1.30 C=CCO[C@H](C)c1ccncc1 0437400eb7314c444380e06acc5edfb1 [0,2,0,0,0,0|2,0,0]=4 1896 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [0,2,0,0,0,0|1,0,1]=4 1897 B12R1.30 CC(CNC=O)c1ccccc1 383885393da95737b5a43ceb7230b818 [0,2,0,0,0,0|0,0,0]=2 1898 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [0,2,0,0,0,0|1,0,1]=4 1899 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [0,2,0,0,0,0|0,0,2]=4 1900 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [0,2,0,0,0,0|0,0,2]=4 1901 B12R1.30 CC(NCC#N)c1ccccc1 85ca8869c6ae0debccfd66d74dfbe1ee [0,2,0,0,0,0|1,0,1]=4 1902 B12R1.30 CC(NCC=O)c1ccccc1 d9b90894b15660347d656ab520d55286 [0,2,0,0,0,0|0,0,0]=2 1903 B12R1.30 CC(NCC=O)c1ccccn1 e51da0a1ec816ae853b050ab1b623ea4 [0,2,0,0,0,0|1,0,0]=3 1904 B12R1.30 CC(NCC=O)c1cccnc1 ca0dede6269c513afb97e253bec5bc41 [0,2,0,0,0,0|1,0,0]=3 1905 B12R1.30 CC(NCC=O)c1cccnn1 5a084cad17a666c083b6842f8683b7f9 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.30 CC(NCC=O)c1ccncc1 64bd7073cb84e625f86d2e891c518f41 [0,2,0,0,0,0|1,0,0]=3 1907 B12R1.30 CC(NCC=O)c1ccncn1 48baea207be4a9746419c7decb238690 [0,2,0,0,0,0|2,0,0]=4 1908 B12R1.30 CC(NCC=O)c1ccnnc1 a5513dfca1c2d0ecc920dfe0aa0d491d [0,2,0,0,0,0|2,0,0]=4 1909 B12R1.30 CC(NCC=O)c1cnccn1 58240be36099296b4e4d20a5323b22c8 [0,2,0,0,0,0|2,0,0]=4 1910 B12R1.30 CC(NCC=O)c1cncnc1 37b39f848a221399118e9ae6caf0efa1 [0,2,0,0,0,0|2,0,0]=4 1911 B12R1.30 CC(NCC=O)c1ncccn1 284adf89a4f03b34228d3ef41df8f8b3 [0,2,0,0,0,0|2,0,0]=4 1912 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [0,2,0,0,0,0|1,0,1]=4 1913 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [0,2,0,0,0,0|0,0,2]=4 1914 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [0,2,0,0,0,0|0,1,1]=4 1915 B12R1.30 CC(OCC#N)c1ccccc1 1ec1dc9da1f2b2c8e841a4b7ee7f537f [0,2,0,0,0,0|1,0,1]=4 1916 B12R1.30 CC(OCC=O)c1ccccc1 5c4b88cbd6ba661cea0ad67f126d3e82 [0,2,0,0,0,0|0,0,0]=2 1917 B12R1.30 CC(OCC=O)c1ccccn1 5e9193ad7845d8e005dcfb3d336fa9c4 [0,2,0,0,0,0|1,0,0]=3 1918 B12R1.30 CC(OCC=O)c1cccnc1 b3097ef83a32db03fdb0e8562b127a75 [0,2,0,0,0,0|1,0,0]=3 1919 B12R1.30 CC(OCC=O)c1cccnn1 9ec88ea0a7d134723d37f5b82e8cac12 [0,2,0,0,0,0|2,0,0]=4 1920 B12R1.30 CC(OCC=O)c1ccncc1 0aebbf443939188575e26bcf58e13a17 [0,2,0,0,0,0|1,0,0]=3 1921 B12R1.30 CC(OCC=O)c1cnccn1 8635e01ff99692969b8540a8f67b6a13 [0,2,0,0,0,0|2,0,0]=4 1922 B12R1.30 CC(OCC=O)c1cncnc1 831d73d253530fce927d460c502700a5 [0,2,0,0,0,0|2,0,0]=4 1923 B12R1.30 CC(OCC=O)c1ncccn1 bff3e6edd291d202341a6970d2d2b08f [0,2,0,0,0,0|2,0,0]=4 1924 B12R1.30 CC(OCCF)c1ccccc1 296004c8a3c297153de64ff701a708ab [0,2,0,0,0,0|1,0,1]=4 1925 B12R1.30 CC(OCCS)c1ccccc1 8a2d25daddbc7e25b5ea41349af0bdcf [0,2,0,0,0,0|0,1,1]=4 1926 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,2,0,0,0,0|1,0,1]=4 1927 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,2,0,0,0,0|1,0,1]=4 1928 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,2,0,0,0,0|1,0,1]=4 1929 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [0,2,0,0,0,0|1,0,1]=4 1930 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [0,2,0,0,0,0|1,0,1]=4 1931 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [0,2,0,0,0,0|1,0,1]=4 1932 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,2,0,0,0,0|1,0,1]=4 1933 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,2,0,0,0,0|1,0,1]=4 1934 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,2,0,0,0,0|1,0,1]=4 1935 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,2,0,0,0,0|0,0,2]=4 1936 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,2,0,0,0,0|0,0,2]=4 1937 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,2,0,0,0,0|0,0,2]=4 1938 B12R1.30 CN(C/C=C/Cl)c1ccccc1 a5c5c9e7990707ebd7d1846363494855 [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.30 CN(C/C=C\Cl)c1ccccc1 cb8ec4d5dcd9d90c0da8eb81b2b93b42 [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.30 CN(C/C=C\O)c1ccccc1 5869f46023496a4fc7e5076d759ace60 [0,2,0,0,0,0|1,0,1]=4 1941 B12R1.30 CN(CCC=O)c1ccccc1 9715602a2b8ce4ca6f6ceb5c71eca01f [0,2,0,0,0,0|1,0,0]=3 1942 B12R1.30 CN(CCC=O)c1ccccn1 0466960b9cd011959e32d459076398f7 [0,2,0,0,0,0|2,0,0]=4 1943 B12R1.30 CN(CCC=O)c1cccnc1 3fa0e1a755dc12aff0ca6b20bd3cd5bb [0,2,0,0,0,0|2,0,0]=4 1944 B12R1.30 CN(CCC=O)c1ccncc1 88a10a55d4a98f59ec12cd6c0f664940 [0,2,0,0,0,0|2,0,0]=4 1945 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,2,0,0,0,0|0,0,2]=4 1946 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,2,0,0,0,0|0,0,2]=4 1947 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,2,0,0,0,0|0,0,2]=4 1948 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [0,2,0,0,0,0|0,0,2]=4 1949 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [0,2,0,0,0,0|0,0,2]=4 1950 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [0,2,0,0,0,0|0,0,2]=4 1951 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [0,2,0,0,0,0|0,1,1]=4 1952 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [0,2,0,0,0,0|0,1,1]=4 1953 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [0,2,0,0,0,0|0,1,1]=4 1954 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [0,2,0,0,0,0|0,1,1]=4 1955 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [0,2,0,0,0,0|0,1,1]=4 1956 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [0,2,0,0,0,0|0,1,1]=4 1957 B12R1.30 C[C@@H](CNC=O)c1ccccc1 4fd65e091e214d9221c262810e411c80 [0,2,0,0,0,0|0,0,0]=2 1958 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [0,2,0,0,0,0|1,0,1]=4 1959 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [0,2,0,0,0,0|0,0,2]=4 1960 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [0,2,0,0,0,0|0,0,2]=4 1961 B12R1.30 C[C@@H](NCC#N)c1ccccc1 79a0e920b4d897eb15d12e8b6b71cbe9 [0,2,0,0,0,0|1,0,1]=4 1962 B12R1.30 C[C@@H](NCC=O)c1ccccc1 de3c0d8a847d9265ee59861806469e38 [0,2,0,0,0,0|0,0,0]=2 1963 B12R1.30 C[C@@H](NCC=O)c1ccccn1 3847a7eda354f4e826d96e4c676fbe2c [0,2,0,0,0,0|1,0,0]=3 1964 B12R1.30 C[C@@H](NCC=O)c1cccnc1 05c714ae7545358441cfe68ba338a12a [0,2,0,0,0,0|1,0,0]=3 1965 B12R1.30 C[C@@H](NCC=O)c1ccncc1 05749d3fa13ae2238032af43db340e4a [0,2,0,0,0,0|1,0,0]=3 1966 B12R1.30 C[C@@H](NCC=O)c1cncnc1 ec2fb6a29dbbc77287d54622ea22393b [0,2,0,0,0,0|2,0,0]=4 1967 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [0,2,0,0,0,0|1,0,1]=4 1968 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [0,2,0,0,0,0|0,0,2]=4 1969 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [0,2,0,0,0,0|0,1,1]=4 1970 B12R1.30 C[C@@H](OCC#N)c1ccccc1 b7bf8cbcee7c14c575bc4d4a84868d53 [0,2,0,0,0,0|1,0,1]=4 1971 B12R1.30 C[C@@H](OCC=O)c1ccccc1 2ac21f5d0549ec288424cc0d2265d67c [0,2,0,0,0,0|0,0,0]=2 1972 B12R1.30 C[C@@H](OCC=O)c1ccccn1 98b7f4428e1a69c9c42b110085c0725b [0,2,0,0,0,0|1,0,0]=3 1973 B12R1.30 C[C@@H](OCC=O)c1cccnc1 bd8951b6dc711dfc03d58571a895d792 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.30 C[C@@H](OCC=O)c1cccnn1 bb3b77026faae348d420f4a450a1f526 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.30 C[C@@H](OCC=O)c1ccncc1 7fc7a1d7fc23ea0f570d969235a93f56 [0,2,0,0,0,0|1,0,0]=3 1976 B12R1.30 C[C@@H](OCC=O)c1cnccn1 8636b456bc8e22fa59a18c574ac735fb [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.30 C[C@@H](OCC=O)c1ncccn1 10f03b98438b67040a3b076e2b2f2f9d [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.30 C[C@@H](OCCF)c1ccccc1 203a44e775c1adfe6a43ad6321e3d4aa [0,2,0,0,0,0|1,0,1]=4 1979 B12R1.30 C[C@@H](OCCS)c1ccccc1 831161e77b199edd57098275b43b0190 [0,2,0,0,0,0|0,1,1]=4 1980 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [0,2,0,0,0,0|1,0,1]=4 1981 B12R1.30 C[C@H](CNC=O)c1ccccc1 d012ad42959d735a95ee99ba7191a36d [0,2,0,0,0,0|0,0,0]=2 1982 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [0,2,0,0,0,0|1,0,1]=4 1983 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [0,2,0,0,0,0|0,0,2]=4 1984 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [0,2,0,0,0,0|0,0,2]=4 1985 B12R1.30 C[C@H](NCC#N)c1ccccc1 04ab453e311f4e57bddb16b9d73b093d [0,2,0,0,0,0|1,0,1]=4 1986 B12R1.30 C[C@H](NCC=O)c1ccccc1 a3dc214a4fba86b355b0ede6b011be4e [0,2,0,0,0,0|0,0,0]=2 1987 B12R1.30 C[C@H](NCC=O)c1ccccn1 6cfb7096cc21c976fe37a2003ccb317e [0,2,0,0,0,0|1,0,0]=3 1988 B12R1.30 C[C@H](NCC=O)c1cccnc1 4982a853b823f7a8d46eb7656e93215a [0,2,0,0,0,0|1,0,0]=3 1989 B12R1.30 C[C@H](NCC=O)c1ccncc1 f6f0348ab75fe4ed59fb4023467944d2 [0,2,0,0,0,0|1,0,0]=3 1990 B12R1.30 C[C@H](NCC=O)c1cncnc1 e460ae2b739633fb04c3c4b852f89a79 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [0,2,0,0,0,0|1,0,1]=4 1992 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [0,2,0,0,0,0|0,0,2]=4 1993 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [0,2,0,0,0,0|0,1,1]=4 1994 B12R1.30 C[C@H](OCC#N)c1ccccc1 dec9f32ff56faa2d18e3e3c1709f800a [0,2,0,0,0,0|1,0,1]=4 1995 B12R1.30 C[C@H](OCC=O)c1ccccc1 00d569f48b2d6afec7a482be4dffe552 [0,2,0,0,0,0|0,0,0]=2 1996 B12R1.30 C[C@H](OCC=O)c1ccccn1 ff146c9da6176c3232b99f0229582805 [0,2,0,0,0,0|1,0,0]=3 1997 B12R1.30 C[C@H](OCC=O)c1cccnc1 6617dda1a7d57f98c273575fd1bc7689 [0,2,0,0,0,0|1,0,0]=3 1998 B12R1.30 C[C@H](OCC=O)c1ccncc1 53771e29745498e86d209ccadb6f9ca1 [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.30 C[C@H](OCC=O)c1ccncn1 a379b26f9b689beefdf7139484a5eee6 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.30 C[C@H](OCC=O)c1cnccn1 758ddda1a5a31d226630583ccddfbadb [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.30 C[C@H](OCC=O)c1ncccn1 b5eb90883c371db8ab0d2c29b6388f32 [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.30 C[C@H](OCCF)c1ccccc1 c0748435be7f607898a504b3471e7402 [0,2,0,0,0,0|1,0,1]=4 2003 B12R1.30 C[C@H](OCCS)c1ccccc1 37922141bea6d1cffd84b12460e94096 [0,2,0,0,0,0|0,1,1]=4 2004 B12R1.30 O=CNCC(=O)c1ccccc1 3d692fdbbd985de7bb8ce4ed3be15af5 [0,2,0,0,0,0|1,0,1]=4 2005 B12R1.30 O=CNCC(O)c1ccccc1 bd6972d51445a44c3965cbebc4bd5db7 [0,2,0,0,0,0|1,0,0]=3 2006 B12R1.30 O=CNCC(O)c1ccccn1 f74fbe719d6356bfc273d26f7795d584 [0,2,0,0,0,0|2,0,0]=4 2007 B12R1.30 O=CNCC(O)c1cccnc1 649ef114aa6b94c66d68f5702aa02ff0 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.30 O=CNCC(O)c1ccncc1 84598c4a8b9207c0e76a904644972bf2 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.30 O=CNC[C@@H](O)c1ccccc1 d65458916acffc3e27ffc1f7d36d329e [0,2,0,0,0,0|1,0,0]=3 2010 B12R1.30 O=CNC[C@H](O)c1ccccc1 f93baa496dc07ecacf88304e0a316c36 [0,2,0,0,0,0|1,0,0]=3 2011 B12R1.107 C=C(Br)CN(C)c1ccccc1 06c8fb625d99bb5fbb827e22684091ba [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.107 C=C(C)CN(C)c1ccccc1 892f6b3ce1ea7a9b6cd32d9e819b4a96 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.107 CC(=O)NC(C)c1ccccc1 5ac270090224b04d6e18bd0f40247bab [0,2,0,0,0,0|0,0,0]=2 2014 B12R1.107 CC(=O)NC(C)c1ccccn1 9f2410e3ed5d3dedf6c6d0d1d301442e [0,2,0,0,0,0|1,0,0]=3 2015 B12R1.107 CC(=O)NC(C)c1cccnc1 bd3e42a6def30cb8723774fd29dfd160 [0,2,0,0,0,0|1,0,0]=3 2016 B12R1.107 CC(=O)NC(C)c1cccnn1 b8f763e9ee4414149953894acde2afa1 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.107 CC(=O)NC(C)c1ccncc1 c0286e2a14d5d3a09435b90d3ea8035c [0,2,0,0,0,0|1,0,0]=3 2018 B12R1.107 CC(=O)NC(C)c1ccncn1 cdfc6bb21fcff83f8836cc0ffa0e98f6 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.107 CC(=O)NC(C)c1ccnnc1 dbe4da15fa705dce5368135f73738848 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.107 CC(=O)NC(C)c1cnccn1 a09cd08937deccf4150a561bb950c630 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.107 CC(=O)NC(C)c1cncnc1 4a47c45db29a80b83e0a3fde090b5f48 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.107 CC(=O)NC(C)c1ncccn1 f401c9d566dbf6e6bc556727bef0eb8f [0,2,0,0,0,0|2,0,0]=4 2023 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 83a412c49d00ac7737895652e0438906 [0,2,0,0,0,0|0,0,0]=2 2024 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 bbfb864aee062a617392dbd043149f2d [0,2,0,0,0,0|1,0,0]=3 2025 B12R1.107 CC(=O)N[C@@H](C)c1cccnc1 053abbdf2a9a3a050db980212be86e97 [0,2,0,0,0,0|1,0,0]=3 2026 B12R1.107 CC(=O)N[C@@H](C)c1ccncc1 e6d5d6c9d8ffc57e06bb54ddb1f511e9 [0,2,0,0,0,0|1,0,0]=3 2027 B12R1.107 CC(=O)N[C@@H](C)c1cncnc1 8fa88f5a01fb1cff7165868c4b7fe58f [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 6af9f7af8ede42291806b12f353a29c9 [0,2,0,0,0,0|0,0,0]=2 2029 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 c6420d1df4c62b07acb66dd07c94413a [0,2,0,0,0,0|1,0,0]=3 2030 B12R1.107 CC(=O)N[C@H](C)c1cccnc1 6f5e2b5e5c3e848b6c8230b33688a8e9 [0,2,0,0,0,0|1,0,0]=3 2031 B12R1.107 CC(=O)N[C@H](C)c1ccncc1 434ca703e8c14bed1fd8b31e47f0d354 [0,2,0,0,0,0|1,0,0]=3 2032 B12R1.107 CC(=O)N[C@H](C)c1cncnc1 681669b70a32b369a750a93d829d168a [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [0,2,0,0,0,0|1,0,1]=4 2034 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [0,2,0,0,0,0|1,0,1]=4 2035 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [0,2,0,0,0,0|1,0,1]=4 2036 B12R1.107 CN(CC(=O)N)c1ccccc1 75a7fbfa9e6f8caba6a47338e3098cbb [0,2,0,0,0,0|1,0,0]=3 2037 B12R1.107 CN(CC(=O)N)c1ccccn1 3e820a4ddf4138d28fbf552f229ee1c0 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.107 CN(CC(=O)N)c1cccnc1 e8370b4d09e11178fecd7e7eec54a25a [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.107 CN(CC(=O)N)c1ccncc1 2e06add487ce4c9a1f26639816f5936b [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.107 CN(CC(=O)O)c1ccccc1 858f8808a1d727235e14bdbf7ff6ac3d [0,2,0,0,0,0|1,0,0]=3 2041 B12R1.107 CN(CC(=O)O)c1ccccn1 b858050342c0cd6e6ffe7fc9ce59e005 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.107 CN(CC(=O)O)c1cccnc1 a068ea195e7c4e5a6506887dbd106203 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.107 CN(CC(=O)O)c1ccncc1 6fee849cce3d22ba8d7627ec46bd540a [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 f433ba4cb13febaf0c3c3ea79a1db300 [0,2,0,0,0,0|1,0,1]=4 2045 B12R1.308 C=CCN(C)c1ccccc1Br 8d8c3cd73d43417ec60dbf94f11e1fff [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.308 C=CCN(C)c1ccccc1C 7353fa78f83b5b018caa1bddf9891ee9 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.308 C=CCN(C)c1ccccc1Cl eba94dd7934d544214fa8f22d8d450c1 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.308 C=CCN(C)c1ccccc1F c4f76da332b4a0cd84b6a4311517380c [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.308 CC(NC=O)c1ccccc1Br 7de257f1f741e929b35388a5f288133c [0,2,0,0,0,0|0,0,0]=2 2050 B12R1.308 CC(NC=O)c1ccccc1Cl 5b22478d980821b1af4ef6bb00ce9913 [0,2,0,0,0,0|0,0,0]=2 2051 B12R1.308 CC(NC=O)c1ccccc1F 6de6ee4cdf3140e48d58e02c34c99749 [0,2,0,0,0,0|0,0,0]=2 2052 B12R1.308 CC(NC=O)c1ccccc1I f21f3c43c62e9347b4bdb2169f7236ad [0,2,0,0,0,0|0,0,0]=2 2053 B12R1.308 CC(NC=O)c1cccnc1Br 4d1ab95ed174c25cc089dc47a8a4654c [0,2,0,0,0,0|1,0,0]=3 2054 B12R1.308 CC(NC=O)c1ccncc1Br 544edb26088dd11e3cb8ada09fe88942 [0,2,0,0,0,0|1,0,0]=3 2055 B12R1.308 CC(NC=O)c1ccncc1Cl a4bf9a56e4eb9c21cebb7984e3a43990 [0,2,0,0,0,0|1,0,0]=3 2056 B12R1.308 CC(NC=O)c1ccncc1F 487f615d35d76652d25608b32aa7ef73 [0,2,0,0,0,0|1,0,0]=3 2057 B12R1.308 CC(NC=O)c1ncccc1Br 2a1c56ea684a5c69b3abb0277f9a82ce [0,2,0,0,0,0|1,0,0]=3 2058 B12R1.308 CC(NCF)c1ccccc1Cl 9e9fe0e13e013eac062b2d8b7a7dd641 [0,2,0,0,0,0|1,0,1]=4 2059 B12R1.308 CC(NCF)c1ccccc1F bc7168c780dd1f426d40f4f1ad262276 [0,2,0,0,0,0|1,0,1]=4 2060 B12R1.308 CC(NCO)c1ccccc1Cl 1f0c401b4ac09588d0873e8556a15d9b [0,2,0,0,0,0|0,0,2]=4 2061 B12R1.308 CC(NCO)c1ccccc1F f8af624e28cef3667af96d9d540bf774 [0,2,0,0,0,0|0,0,2]=4 2062 B12R1.308 CC(NCO)c1ccccc1I 38352b05097a6498f9c6f5e041497e5f [0,2,0,0,0,0|0,0,2]=4 2063 B12R1.308 CCNC(C)c1ccccc1C 0883f4cb3ceebac2afc1d8b1d74757fe [0,2,0,0,0,0|1,0,1]=4 2064 B12R1.308 CCNC(C)c1ccccc1Cl e4c014f93d31b2cbe46d458b32f53e09 [0,2,0,0,0,0|1,0,1]=4 2065 B12R1.308 CCNC(C)c1ccccc1F f7d95a3361fedbbb65f99a2acb41e413 [0,2,0,0,0,0|1,0,1]=4 2066 B12R1.308 CCNC(C)c1ccccc1I 644333e054a6c1bf2e43ef800eb6ccf0 [0,2,0,0,0,0|1,0,1]=4 2067 B12R1.308 CCN[C@@H](C)c1ccccc1C 8d3fac06d9fd721c033cdce6debd1b11 [0,2,0,0,0,0|1,0,1]=4 2068 B12R1.308 CCN[C@@H](C)c1ccccc1Cl 099142b233a887b54f0becdabd5e841f [0,2,0,0,0,0|1,0,1]=4 2069 B12R1.308 CCN[C@@H](C)c1ccccc1F d09734bb90b2604a0ef3d53cf89c9061 [0,2,0,0,0,0|1,0,1]=4 2070 B12R1.308 CCN[C@H](C)c1ccccc1C 932b5a6a4e53b1370f118a04ec8aea7a [0,2,0,0,0,0|1,0,1]=4 2071 B12R1.308 CCN[C@H](C)c1ccccc1Cl 638f0775df6296d8f14ee24c8a8e2394 [0,2,0,0,0,0|1,0,1]=4 2072 B12R1.308 CCN[C@H](C)c1ccccc1F 769010e7a9b6e656b36dc7b095841e4f [0,2,0,0,0,0|1,0,1]=4 2073 B12R1.308 CCOC(C)c1ccccc1Cl 41900255e15d067e87f6ea562416138f [0,2,0,0,0,0|1,0,1]=4 2074 B12R1.308 CCO[C@@H](C)c1ccccc1Cl 0d253b912a6e6c7137bdc641619c139f [0,2,0,0,0,0|1,0,1]=4 2075 B12R1.308 CCO[C@H](C)c1ccccc1Cl fec58acae71ef20f9f3b3ae583319a6c [0,2,0,0,0,0|1,0,1]=4 2076 B12R1.308 CN(CC=O)c1ccccc1Br 0f2fd3bb658879d5a8b6596d1b5e87dc [0,2,0,0,0,0|1,0,0]=3 2077 B12R1.308 CN(CC=O)c1ccccc1Cl 1dd750d1d363ed762d9d2244c8019d68 [0,2,0,0,0,0|1,0,0]=3 2078 B12R1.308 CN(CC=O)c1ccccc1F 522a2e2446d57ada3524a2ff5c90eb48 [0,2,0,0,0,0|1,0,0]=3 2079 B12R1.308 CN(CC=O)c1cccnc1Br 818bb8fd3f72f26a0ac31fbae0222eac [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.308 CN(CC=O)c1cccnc1Cl 4984bbde6377c2ff878b36fca6a161d6 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.308 CN(CC=O)c1cccnc1F a8f004e33197de2337a210a4cfbe21fb [0,2,0,0,0,0|2,0,0]=4 2082 B12R1.308 CN(CC=O)c1ccncc1Br 603c2d5a3c998f2685af6c15d4fb8e99 [0,2,0,0,0,0|2,0,0]=4 2083 B12R1.308 CN(CC=O)c1ccncc1Cl ca0113f3a1ad56bee8b24d500d651eeb [0,2,0,0,0,0|2,0,0]=4 2084 B12R1.308 CN(CC=O)c1ccncc1I 99368c7881f58af53bff6f49db03e154 [0,2,0,0,0,0|2,0,0]=4 2085 B12R1.308 CN(CC=O)c1cnccc1Cl 431fbe39cd9477cfe3e78f52bec6b0a7 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.308 CN(CC=O)c1cnccc1F 23369cc76ea2666f63e40b9e54da70ce [0,2,0,0,0,0|2,0,0]=4 2087 B12R1.308 CN(CC=O)c1ncccc1Br 987ee4605f7ab0efde07c2259577adff [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.308 CN(CC=O)c1ncccc1Cl d05544a8ee6f72ab2dc15567a64cf4f5 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.308 CN(CC=O)c1ncccc1F bf7a09286ea6833895d4c4d7deb8f3eb [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.308 CN(CC=O)c1ncccc1I 1140606cbe2088d818218e7221e48c35 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.308 C[C@@H](NC=O)c1ccccc1Br 14ac92223d54c1fef8592a3a81304e23 [0,2,0,0,0,0|0,0,0]=2 2092 B12R1.308 C[C@@H](NC=O)c1ccccc1Cl 2f4bf32a9a919e775ee8bbc3adc47eba [0,2,0,0,0,0|0,0,0]=2 2093 B12R1.308 C[C@@H](NC=O)c1ccccc1F 0f572c711e99cc8a1872c777a329f37b [0,2,0,0,0,0|0,0,0]=2 2094 B12R1.308 C[C@@H](NCF)c1ccccc1Cl 51642ddac9d75373cd8664448de5d444 [0,2,0,0,0,0|1,0,1]=4 2095 B12R1.308 C[C@@H](NCF)c1ccccc1F b81aeb75f26e45e22f353f1bd6575e41 [0,2,0,0,0,0|1,0,1]=4 2096 B12R1.308 C[C@@H](NCO)c1ccccc1Cl 68a5f9299e56d3cba8de039d6c35a0ca [0,2,0,0,0,0|0,0,2]=4 2097 B12R1.308 C[C@@H](NCO)c1ccccc1F b0e26e577d860ef89a5b9152b45e88a6 [0,2,0,0,0,0|0,0,2]=4 2098 B12R1.308 C[C@H](NC=O)c1ccccc1Br 105061d16bdf78f9338f6d8caf383d6d [0,2,0,0,0,0|0,0,0]=2 2099 B12R1.308 C[C@H](NC=O)c1ccccc1Cl 30ec0d37f6a0b0a9e861642f4468c4c5 [0,2,0,0,0,0|0,0,0]=2 2100 B12R1.308 C[C@H](NC=O)c1ccccc1F 139750b141369245159fb13f5fa01ced [0,2,0,0,0,0|0,0,0]=2 2101 B12R1.308 C[C@H](NC=O)c1ncccc1Br 8e2f5820e1e411a2a74cbdc3c7d421ef [0,2,0,0,0,0|1,0,0]=3 2102 B12R1.308 C[C@H](NCF)c1ccccc1Cl 094e58320907c1b0aa41fb5b0fe49532 [0,2,0,0,0,0|1,0,1]=4 2103 B12R1.308 C[C@H](NCF)c1ccccc1F 46b0c636a8e762dba88dbd01f126e091 [0,2,0,0,0,0|1,0,1]=4 2104 B12R1.308 C[C@H](NCO)c1ccccc1Cl 6721150152565c45045c8d7226931c07 [0,2,0,0,0,0|0,0,2]=4 2105 B12R1.308 C[C@H](NCO)c1ccccc1F 843364a70a090624fe16305422e066fd [0,2,0,0,0,0|0,0,2]=4 2106 B12R1.308 Cc1ccccc1C(C)NC=O 3dbc5b1eca13ab889cd5b986d3a933f9 [0,2,0,0,0,0|0,0,0]=2 2107 B12R1.308 Cc1ccccc1C(C)NCF 712d68dc5be0f64eecf9aa66b715e0c2 [0,2,0,0,0,0|1,0,1]=4 2108 B12R1.308 Cc1ccccc1C(C)NCO 6c3894b72e4dae93ee5dc306d60ad36c [0,2,0,0,0,0|0,0,2]=4 2109 B12R1.308 Cc1ccccc1N(C)CC=O 1b3b7a0fcfe6e14922255a9bc05376ca [0,2,0,0,0,0|1,0,0]=3 2110 B12R1.308 Cc1ccccc1[C@@H](C)NC=O 1e480558b0b49cb08fba6cc0cd3799ef [0,2,0,0,0,0|0,0,0]=2 2111 B12R1.308 Cc1ccccc1[C@@H](C)NCF 6cf924335d2b2f2d251ce6315911000f [0,2,0,0,0,0|1,0,1]=4 2112 B12R1.308 Cc1ccccc1[C@@H](C)NCO b8dd4b9d69a2c456fde4fd3e7fd35a7b [0,2,0,0,0,0|0,0,2]=4 2113 B12R1.308 Cc1ccccc1[C@H](C)NC=O 1c5a9aff2b2e566578c04adb612011c0 [0,2,0,0,0,0|0,0,0]=2 2114 B12R1.308 Cc1ccccc1[C@H](C)NCF f232a12683e4a16bb4cd1a09dc433efa [0,2,0,0,0,0|1,0,1]=4 2115 B12R1.308 Cc1ccccc1[C@H](C)NCO 7e8be47cb87e472d5897ef53423fefc4 [0,2,0,0,0,0|0,0,2]=4 2116 B12R1.308 Cc1cccnc1C(C)NC=O d9c70b46873e1573f10f64599fd77ed3 [0,2,0,0,0,0|1,0,0]=3 2117 B12R1.308 Cc1cccnc1N(C)CC=O b7a208691d8e0d11a799383cfbb28699 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.308 Cc1cccnc1[C@@H](C)NC=O 4bd68d804afec6d1e7e6fa7c82e96fcd [0,2,0,0,0,0|1,0,0]=3 2119 B12R1.308 Cc1ccncc1N(C)CC=O 4462a439df96538515a02299c2058d3d [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.308 Cc1ncccc1C(C)NC=O b44d08e64e1e947c480ef3f970c58802 [0,2,0,0,0,0|1,0,0]=3 2121 B12R1.308 Cc1ncccc1N(C)CC=O c87a83c88eb37e9d80ffa21da837308e [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.5 C#Cc1ccc(cc1)N(C)C=O 864611e02d5d1055fe4802d6e2187ea4 [0,2,0,0,0,0|1,0,0]=3 2123 B12R1.5 C#Cc1ccc(nc1)N(C)C=O bf305e803db282f7ec80fd737a7b36fe [0,2,0,0,0,0|2,0,0]=4 2124 B12R1.5 CN(C=O)c1ccc(cc1)C#N c11dc10ade21db18120bf5a00a75e24b [0,2,0,0,0,0|1,0,0]=3 2125 B12R1.5 CN(C=O)c1ccc(cc1)CO 4b23626adf970e3b6af26fbf287ac0c8 [0,2,0,0,0,0|1,0,0]=3 2126 B12R1.5 CN(C=O)c1ccc(cn1)C#N 511d533eda30bc0187d66d51d0e35206 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.5 CN(C=O)c1ccc(cn1)C=O a6b6d5d98c26fe3eee87d5cf07796183 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.5 CN(C=O)c1ccc(nc1)C#N 4d33d7b511e0417a0de38c3453007809 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.5 COc1ccc(cc1)N(C)C=O 5bb0b6faea39a06966152d934d5acd3b [0,2,0,0,0,0|1,0,0]=3 2130 B12R1.5 COc1ccc(cn1)N(C)C=O cd9b938131a0ffc6e237c42eb4fea898 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.5 COc1ccc(nc1)N(C)C=O cadcdb8e3c358807a8cabf0bc3b8fa44 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.5 CSc1ccc(cc1)N(C)C=O bdbbb0e5bdf03b7900c9da3e0833e74d [0,2,0,0,0,0|1,0,0]=3 2133 B12R1.20 CC(=O)N(C)c1ccc(cc1)C bcc16cd28e7607a6ed49651a98525a59 [0,2,0,0,0,0|1,0,0]=3 2134 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 4527b0d13f503bbb045589a99edc841a [0,2,0,0,0,0|1,0,0]=3 2135 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 37d34db01fbe3b47709ae105489b99d9 [0,2,0,0,0,0|1,0,0]=3 2136 B12R1.20 CC(=O)N(C)c1ccc(cc1)S 2ad77fe8a37a5fd09eac6ab3959987a9 [0,2,0,0,0,0|1,0,0]=3 2137 B12R1.20 CC(=O)N(C)c1ccc(cn1)Br 01da8a4ebc80d487db86be4051987cdc [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.20 CC(=O)N(C)c1ccc(cn1)C 1dc8982ac5c2b79d81f058ce71167b40 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.20 CC(=O)N(C)c1ccc(cn1)Cl 39d0778b62399f82923a24e42d285563 [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.20 CC(=O)N(C)c1ccc(cn1)F 5777a6aac9216fb8f2f511dc9e2b5d6c [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.20 CC(=O)N(C)c1ccc(cn1)I b9544feea09a544696f1af28d9325224 [0,2,0,0,0,0|2,0,0]=4 2142 B12R1.20 CC(=O)N(C)c1ccc(nc1)C 3899a623cacbb1ea46b2d8abfc4c3a16 [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.20 CC(=O)N(C)c1ccc(nc1)Cl 24b5f184de66d378ce0bdab705ccf38a [0,2,0,0,0,0|2,0,0]=4 2144 B12R1.20 CC(=O)N(C)c1ccc(nc1)F 63bbbad269689440ac7fb7b2fe8092ed [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.367 CN(C=O)c1ccc(c(c1)Br)Cl 699478fbab1544dc7515deb73a69cfbe [0,2,0,0,0,0|1,0,0]=3 2146 B12R1.367 CN(C=O)c1ccc(c(c1)Br)F e9ac86a3f62085a6a15be87d626493c3 [0,2,0,0,0,0|1,0,0]=3 2147 B12R1.367 CN(C=O)c1ccc(c(c1)Cl)Cl 728eb637540028933919e55cb870a65d [0,2,0,0,0,0|1,0,0]=3 2148 B12R1.367 CN(C=O)c1ccc(c(c1)Cl)F a19e43f7981ebc488ea7569a2022fc15 [0,2,0,0,0,0|1,0,0]=3 2149 B12R1.367 CN(C=O)c1ccc(c(c1)Cl)I 3e978cfbbcf5ad5a638511a8778319b2 [0,2,0,0,0,0|1,0,0]=3 2150 B12R1.367 CN(C=O)c1ccc(c(c1)F)Br 29707f2d305d300d884fd43c01c49db3 [0,2,0,0,0,0|1,0,0]=3 2151 B12R1.367 CN(C=O)c1ccc(c(c1)F)F 2b5679b121907250214e632b000bf76d [0,2,0,0,0,0|1,0,0]=3 2152 B12R1.367 CN(C=O)c1ccc(c(c1)F)I 662773ff825b4431545148f031ce03ed [0,2,0,0,0,0|1,0,0]=3 2153 B12R1.367 Cc1cc(ccc1F)N(C)C=O 07b9bcd47629ce5326108f2a2ebdc648 [0,2,0,0,0,0|1,0,0]=3 2154 B12R1.367 Cc1ccc(cc1Br)N(C)C=O 77a85240d82405de04fe25938d0866d9 [0,2,0,0,0,0|1,0,0]=3 2155 B12R1.367 Cc1ccc(cc1Cl)N(C)C=O cf3a5b1a96296132af2a3774e178268b [0,2,0,0,0,0|1,0,0]=3 2156 B12R1.367 Cc1ccc(cc1F)N(C)C=O 9a7c2ead1e1994935dbfc421891fdf47 [0,2,0,0,0,0|1,0,0]=3 2157 B12R1.367 Cc1ccc(cc1O)N(C)C=O c8ad0fc6f463c760f678160497914bd6 [0,2,0,0,0,0|1,0,0]=3 2158 B12R1.1703 CN(C=O)c1ccc(cc1Br)F 67548eaf3585a8aee8367ba51cee60f4 [0,2,0,0,0,0|1,0,0]=3 2159 B12R1.1703 CN(C=O)c1ccc(cc1Cl)Cl a7d5afdf4ec4a1896eb221099ecdec3f [0,2,0,0,0,0|1,0,0]=3 2160 B12R1.1703 CN(C=O)c1ccc(cc1Cl)F 3af620dc16f8913d8619753e24f613f4 [0,2,0,0,0,0|1,0,0]=3 2161 B12R1.1703 CN(C=O)c1ccc(cc1F)Br c1a20d06d3152f8ce1fd8083d2318f67 [0,2,0,0,0,0|1,0,0]=3 2162 B12R1.1703 CN(C=O)c1ccc(cc1F)F 31c5c798bd82e64727d495072545f9ba [0,2,0,0,0,0|1,0,0]=3 2163 B12R1.1703 CN(C=O)c1ccc(nc1F)I e1c0ec99fe5a0c55ee8343a5d88bf132 [0,2,0,0,0,0|2,0,0]=4 2164 B12R1.1703 CN(C=O)c1cnc(cc1I)Cl 90221a2ad007bd29d43ac32066401bcb [0,2,0,0,0,0|2,0,0]=4 2165 B12R1.1703 CN(C=O)c1ncc(cc1Cl)Cl a5ecbe3ef6992df92a3715f1de9bea3f [0,2,0,0,0,0|2,0,0]=4 2166 B12R1.1703 CN(C=O)c1ncc(cc1F)Cl 7e8258c11b9831ffd0ce70463e80abfa [0,2,0,0,0,0|2,0,0]=4 2167 B12R1.1703 CN(C=O)c1ncc(cc1F)F 967b2f50fd6649df2986194cd8418448 [0,2,0,0,0,0|2,0,0]=4 2168 B12R1.1703 Cc1cc(ccc1N(C)C=O)I 02671d246d1e879e810f77eefa7f684a [0,2,0,0,0,0|1,0,0]=3 2169 B12R1.1703 Cc1ccc(c(c1)F)N(C)C=O b977dfc72b1cc616e937adca0188dd57 [0,2,0,0,0,0|1,0,0]=3 2170 B12R1.24 CN(C=O)c1cccc(c1Cl)Cl 52b0ea784245161c2293dcc135113e22 [0,2,0,0,0,0|1,0,0]=3 2171 B12R1.24 CN(C=O)c1cccc(c1F)Br 90114b1526854c39d25e114dab7a68b6 [0,2,0,0,0,0|1,0,0]=3 2172 B12R1.24 CN(C=O)c1cccc(c1F)F 72a4b2fa8c448da329afff95239639be [0,2,0,0,0,0|1,0,0]=3 2173 B12R1.24 CN(C=O)c1ccnc(c1F)Cl e2f56e33c830464ca5436a848a692d01 [0,2,0,0,0,0|2,0,0]=4 2174 B12R1.24 Cc1c(cccc1N(C)C=O)Cl c9a3d43db70cfbf6e1d1aadf91de480e [0,2,0,0,0,0|1,0,0]=3 2175 B12R1.225 CC(=O)N(C)c1cc(ccn1)Br 6073a6d2a4ea9dfbe1d4cf24efe905a4 [0,2,0,0,0,0|2,0,0]=4 2176 B12R1.225 CC(=O)N(C)c1cc(ccn1)C 524b4f7a01500de2322e8a376ea07663 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.225 CC(=O)N(C)c1cc(ccn1)Cl 985a990cfb22e9588e7942471f5363ca [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.225 CC(=O)N(C)c1cc(ccn1)F 4a1c91a5a6a5287fcf70db1f332ee2f4 [0,2,0,0,0,0|2,0,0]=4 2179 B12R1.225 CC(=O)N(C)c1cc(ccn1)I 0dfae7fd9b1debc0eaa4f1f1b37761b7 [0,2,0,0,0,0|2,0,0]=4 2180 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 64794c11f4bcff23ac7fdeabc1b6598e [0,2,0,0,0,0|1,0,0]=3 2181 B12R1.225 CC(=O)N(C)c1cccc(c1)C 25e03f335071a4176e7ef8eb1a8a6f73 [0,2,0,0,0,0|1,0,0]=3 2182 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 8454b9cdc79f9e939cfc5ab746b2ea7e [0,2,0,0,0,0|1,0,0]=3 2183 B12R1.225 CC(=O)N(C)c1cccc(c1)F 01f2a6a014d460bc794c1e1448e898ac [0,2,0,0,0,0|1,0,0]=3 2184 B12R1.225 CC(=O)N(C)c1cccc(c1)I 50dec21c842a8245edd9079a1314da5c [0,2,0,0,0,0|1,0,0]=3 2185 B12R1.225 CC(=O)N(C)c1cccc(c1)O b62a2062012b8a05a602a75783662fb9 [0,2,0,0,0,0|1,0,0]=3 2186 B12R1.225 CC(=O)N(C)c1cccc(n1)Br acc68345222417123ce7c9b0e302f809 [0,2,0,0,0,0|2,0,0]=4 2187 B12R1.225 CC(=O)N(C)c1cccc(n1)C 8beaec740278c5fb56d559ac02fd83c8 [0,2,0,0,0,0|2,0,0]=4 2188 B12R1.225 CC(=O)N(C)c1cccc(n1)Cl dc347b24da342e892347bbac94db8d27 [0,2,0,0,0,0|2,0,0]=4 2189 B12R1.225 CC(=O)N(C)c1cccc(n1)F 9fb0284a95b5b989596f5b82055ac306 [0,2,0,0,0,0|2,0,0]=4 2190 B12R1.225 CC(=O)N(C)c1ccnc(c1)Br 63bd074ef1ad1909398b0686c389dff5 [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.225 CC(=O)N(C)c1ccnc(c1)Cl 366c9b143cd336231bd8cd51cfa4c32e [0,2,0,0,0,0|2,0,0]=4 2192 B12R1.225 CC(=O)N(C)c1ccnc(c1)F 488db76945c50dc9b764949dcad9ddd4 [0,2,0,0,0,0|2,0,0]=4 2193 B12R1.354 CN(C=O)c1cc(ccc1Br)F e7f4a436117e4f8d3b8c508e019fc352 [0,2,0,0,0,0|1,0,0]=3 2194 B12R1.354 CN(C=O)c1cc(ccc1F)Br b78351001831b4d08c4b8750526d5a3c [0,2,0,0,0,0|1,0,0]=3 2195 B12R1.354 CN(C=O)c1cc(ccc1F)F 69500752a77340d5690fdb1d100dffee [0,2,0,0,0,0|1,0,0]=3 2196 B12R1.354 Cc1ccc(c(c1)N(C)C=O)C f96efc94a6016672423206467dec1ca8 [0,2,0,0,0,0|1,0,0]=3 2197 B12R1.354 Cc1ccc(cc1N(C)C=O)Cl e74a79f83a10380a5ab277a94f89d6be [0,2,0,0,0,0|1,0,0]=3 2198 B12R1.354 Cc1ccc(cc1N(C)C=O)F 669ea88c248387ea104126014d973d21 [0,2,0,0,0,0|1,0,0]=3 2199 B12R1.354 Cc1ccc(cc1N(C)C=O)O 1855467a2ef15c303cda365fdc4ca46c [0,2,0,0,0,0|1,0,0]=3 2200 B12R1.358 CN(C=O)c1cc(cc(c1)Br)Cl 07eab64aaf46db82f58f830bc3ab3407 [0,2,0,0,0,0|1,0,0]=3 2201 B12R1.358 CN(C=O)c1cc(cc(c1)Br)F fabcb8511319514b73ab67d614fbddf7 [0,2,0,0,0,0|1,0,0]=3 2202 B12R1.358 CN(C=O)c1cc(cc(c1)Cl)Cl 6d96d2513ba22462cf3406de0f4ac62a [0,2,0,0,0,0|1,0,0]=3 2203 B12R1.358 CN(C=O)c1cc(cc(c1)F)F 1cd1e265c4a98a0e1e8fe6de11e4ccda [0,2,0,0,0,0|1,0,0]=3 2204 B12R1.358 CN(C=O)c1cc(cc(n1)Cl)Cl 3ad85c31892fe67d29ee2748d883227d [0,2,0,0,0,0|2,0,0]=4 2205 B12R1.358 CN(C=O)c1cc(nc(c1)Cl)Cl f11de704afff5639b5cf45fcd40abc00 [0,2,0,0,0,0|2,0,0]=4 2206 B12R1.358 Cc1cc(cc(c1)N(C)C=O)Br 20865248c5ef0a71ac6e81c057ee2ce2 [0,2,0,0,0,0|1,0,0]=3 2207 B12R1.358 Cc1cc(cc(c1)N(C)C=O)C 1f1fa58eee807ebe9e0ce5f54741f579 [0,2,0,0,0,0|1,0,0]=3 2208 B12R1.435 C#Cc1cccc(c1)N(C)C=O 78d50dc05b99839f74280632b54aa7a3 [0,2,0,0,0,0|1,0,0]=3 2209 B12R1.435 CCc1cccc(c1)N(C)C=O ba0e46fef3be2b0db24bfbeb89fc04c4 [0,2,0,0,0,0|1,0,0]=3 2210 B12R1.435 CCc1cccc(n1)N(C)C=O c14c1d066a85f3fd747e206d1dcf8b1b [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.435 CN(C=O)c1cc(ccn1)CO 4039e5ff2b613d2c6ee9c1db11320f2a [0,2,0,0,0,0|2,0,0]=4 2212 B12R1.435 CN(C=O)c1cccc(c1)C#N 82ad868b6925814e376ce8b609aa870a [0,2,0,0,0,0|1,0,0]=3 2213 B12R1.435 CN(C=O)c1cccc(c1)CO 96f6952b83a920bfb43e55c60d19ab52 [0,2,0,0,0,0|1,0,0]=3 2214 B12R1.435 COc1cc(ccn1)N(C)C=O 6711c310ec799a85c0c7c7f6aedb12bc [0,2,0,0,0,0|2,0,0]=4 2215 B12R1.435 COc1cccc(c1)N(C)C=O e26b6fb206f443ff9af50b90ef925989 [0,2,0,0,0,0|1,0,0]=3 2216 B12R1.435 COc1ccnc(c1)N(C)C=O 17441503c28f4a5c84806d36484c7ebb [0,2,0,0,0,0|2,0,0]=4 2217 B12R1.435 CSc1cccc(c1)N(C)C=O d44c3c3ccc58da03dcfe31b407f85179 [0,2,0,0,0,0|1,0,0]=3 2218 B12R1.124 CC(=O)N(C)c1ccccc1C dfb7d842cace5ab71c1c02ce9fdfdfa9 [0,2,0,0,0,0|1,0,0]=3 2219 B12R1.124 CC(=O)N(C)c1ccccc1Cl 8bfa575054bce485f7a6a7adf6803bda [0,2,0,0,0,0|1,0,0]=3 2220 B12R1.124 CC(=O)N(C)c1ccccc1F cc0ada72302170b4c32878f29081bae9 [0,2,0,0,0,0|1,0,0]=3 2221 B12R1.124 CC(=O)N(C)c1ccccc1O 39c38263e4fc85e1027f287a26a8bd39 [0,2,0,0,0,0|1,0,0]=3 2222 B12R1.124 CC(=O)N(C)c1cccnc1Br 8b63ca70fcabd9e5f6a30b4e0e021b74 [0,2,0,0,0,0|2,0,0]=4 2223 B12R1.124 CC(=O)N(C)c1cccnc1C 2096c3c85dfb9914fd30d045f506b080 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.124 CC(=O)N(C)c1cccnc1Cl d58a9b45e074f22fbec287888502f3ee [0,2,0,0,0,0|2,0,0]=4 2225 B12R1.124 CC(=O)N(C)c1cccnc1F 86f442a82892fe486f5891c2eba517ae [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.124 CC(=O)N(C)c1ccncc1Br 319e7df60f0602dc9489781fed5d7af9 [0,2,0,0,0,0|2,0,0]=4 2227 B12R1.124 CC(=O)N(C)c1ccncc1Cl 011b0a3a7c5fb98f78e169136487a179 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.124 CC(=O)N(C)c1ccncc1I 3174199c76772f659c30afa6083b8511 [0,2,0,0,0,0|2,0,0]=4 2229 B12R1.124 CC(=O)N(C)c1cnccc1C 2e48bc0717f6a9286d84b3444f3d0474 [0,2,0,0,0,0|2,0,0]=4 2230 B12R1.124 CC(=O)N(C)c1cnccc1Cl 47049aa805a3677f1b80ea8c1f0e58a8 [0,2,0,0,0,0|2,0,0]=4 2231 B12R1.124 CC(=O)N(C)c1cnccc1F 69076ed51fa202e02e05757e7740b5d2 [0,2,0,0,0,0|2,0,0]=4 2232 B12R1.124 CC(=O)N(C)c1ncccc1C 577fa07dd2db85ff151aa3a7b3fe8ef4 [0,2,0,0,0,0|2,0,0]=4 2233 B12R1.124 CC(=O)N(C)c1ncccc1Cl 7d9adf88b25c547c2084d4517a6405b4 [0,2,0,0,0,0|2,0,0]=4 2234 B12R1.124 CC(=O)N(C)c1ncccc1F 148ffb1b55d37232076e8b02ac8b2721 [0,2,0,0,0,0|2,0,0]=4 2235 B12R1.124 CC(=O)N(C)c1ncccc1I bafbcc80cf510ace01b0777c2980d47a [0,2,0,0,0,0|2,0,0]=4 2236 B12R1.77 CN(C=O)c1ccccc1C#N 71ff76bcf1cbcb15efaff7b4eb5a6015 [0,2,0,0,0,0|1,0,0]=3 2237 B12R1.77 CN(C=O)c1ccccc1C=O cd922dbb460fa7d4d1f00b1614a29368 [0,2,0,0,0,0|1,0,0]=3 2238 B12R1.77 CN(C=O)c1ccccc1CO 33b9761b76a0ad5428caca9639a49664 [0,2,0,0,0,0|1,0,0]=3 2239 B12R1.77 CN(C=O)c1ncccc1C=O bb0e54878ed2e11a5fdc0e169cfdd4bb [0,2,0,0,0,0|2,0,0]=4 2240 B12R1.77 CN(C=O)c1ncccc1CO 643587d9136f5520a2a11a0a10f73511 [0,2,0,0,0,0|2,0,0]=4 2241 B12R1.77 COc1ccccc1N(C)C=O 4af8c019a4275dbca8d5be3630675a44 [0,2,0,0,0,0|1,0,0]=3 2242 B12R1.3441 CN(C=O)c1c(cccc1F)F a797259e1c06582a29361e5ce547d9d3 [0,2,0,0,0,0|1,0,0]=3 2243 B12R1.3441 Cc1cccc(c1N(C)C=O)C 93d69d11ae0d886d14fc9caca46914be [0,2,0,0,0,0|1,0,0]=3 2244 B12R1.3441 Cc1cccc(c1N(C)C=O)Cl 457e31bc8d9f71dbb2a026b9e2650f60 [0,2,0,0,0,0|1,0,0]=3 2245 B12R1.3441 Cc1cccc(c1N(C)C=O)F eca602165056d1e3ae6f19d1b0a9a480 [0,2,0,0,0,0|1,0,0]=3 2246 B12R1.3441 Cc1ccnc(c1N(C)C=O)F 31aeb2bd37bf9d1fe581faa9bdf966dc [0,2,0,0,0,0|2,0,0]=4 2247 B10R1.27 CC(C=O)Nc1cccs1 7379279bea2ff0cb31c5730c7b728258 [0,0,1,1,0,0|2,0,0]=4 2248 B10R1.27 CC(C=O)Nc1ccsc1 8ad8a011ef1d254fa19262ae1d5d744e [0,0,1,1,0,0|2,0,0]=4 2249 B10R1.27 CC(C=O)Oc1ccco1 135f5d833c8d42c9644f16e573ebe678 [0,0,1,1,0,0|2,0,0]=4 2250 B10R1.27 CC(C=O)Oc1cccs1 10ebe9c7137d665df269537ffb13543c [0,0,1,1,0,0|2,0,0]=4 2251 B10R1.27 CC(C=O)Oc1ccsc1 bc885738f762a58cf68ebdc299a01a63 [0,0,1,1,0,0|2,0,0]=4 2252 B10R1.27 C[C@H](C=O)Nc1cccs1 ae02474b765b84e7ec793db927e1dc57 [0,0,1,1,0,0|2,0,0]=4 2253 B10R1.27 C[C@H](C=O)Nc1ccsc1 9a4f5a5b0b2c4ceab93bf06ffdf5123d [0,0,1,1,0,0|2,0,0]=4 2254 B10R1.27 C[C@H](C=O)Oc1ccco1 5bdca6620ba06d658d5ddbf85a11061b [0,0,1,1,0,0|2,0,0]=4 2255 B10R1.27 C[C@H](C=O)Oc1cccs1 045ffed072fb5b406aa66d23a75a781e [0,0,1,1,0,0|2,0,0]=4 2256 B10R1.27 C[C@H](C=O)Oc1ccsc1 1c3e4fba6471b6d9dd0f296ef84e5a7b [0,0,1,1,0,0|2,0,0]=4 2257 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [0,0,0,1,0,1|1,0,1]=4 2258 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccc2 25c07123a823d9ea2969aff7da72cef4 [0,0,0,1,0,1|1,0,1]=4 2259 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccc2 b0efbced164dabbe532e6255951097b4 [0,0,0,1,0,1|1,0,1]=4 2260 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccc2 e610ffc6a467ed241d6c7f91606b201b [0,0,0,1,0,1|1,0,1]=4 2261 B12R2.27 O=CN1CC1c2ccccc2 762f19a034f772a367d3e7ac6806d5e0 [0,0,0,1,0,1|1,0,0]=3 2262 B12R2.27 O=CN1C[C@@H]1c2ccccc2 3cd739dd6b25e8af9413dc2836c79b56 [0,0,0,1,0,1|1,0,0]=3 2263 B12R2.32 O=CN1Cc2ccccc2C1 fa4bd7c2785a013e903c97186977b026 [0,0,0,1,0,1|1,0,0]=3 2264 B12R2.32 O=CN1Cc2cccnc2C1 1f4bf6851ed9c560f3b39735c49c0112 [0,0,0,1,0,1|2,0,0]=4 2265 B12R2.32 O=CN1Cc2ccncc2C1 43ab0b1c2e4ed932b475d0c7eeb96d13 [0,0,0,1,0,1|2,0,0]=4 2266 B12R2.2058 c1ccc(cc1)NC2COC2 638d2081ed3e07246cd09300ecb8f6dc [0,0,0,1,0,1|0,0,2]=4 2267 B12R2.1 O=CN1CCc2c1cccc2 952fb58dcbced8913394c41c3e29378e [0,1,0,1,0,0|1,0,0]=3 2268 B12R2.1 O=CN1CCc2c1cccn2 d2dcd13cafbd9713f3325443b770875f [0,1,0,1,0,0|2,0,0]=4 2269 B12R2.1 O=CN1CCc2c1ccnc2 2e0b92775838ffc53aae45498b831cce [0,1,0,1,0,0|2,0,0]=4 2270 B12R2.1 O=CN1CCc2c1cncc2 1b052413b23f1c3e48b9b6dcd0ea0849 [0,1,0,1,0,0|2,0,0]=4 2271 B12R2.1 O=CN1CCc2c1nccc2 6d4df3c1b7ebbfc1a8390e263c834cd5 [0,1,0,1,0,0|2,0,0]=4 2272 B12R2.931 CCOC1Cc2c1cccc2 3c89ff4e209e0c2fdac6354471a794bb [0,1,0,1,0,0|1,0,1]=4 2273 B12R2.931 FCOC1Cc2c1cccc2 8a2a59b07ef62954890e5ca9132b929f [0,1,0,1,0,0|1,0,1]=4 2274 B12R2.931 N#CNC1Cc2c1cccc2 4acf83ea777f3f4bc9a4041ee13e4a3e [0,1,0,1,0,0|1,0,1]=4 2275 B8R1.8 O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [1,0,0,0,1,0|2,0,0]=4 2276 B8R1.8 O=CNc1ccsc1 0a6858906ba6a8fe50b8bca40778ed89 [1,0,0,0,1,0|2,0,0]=4 2277 B10R0.29 C=CCC(C=C)OC(C)C=O 59135b4517e005b625ab1c291091d46b [0,0,1,0,0,1|0,0,2]=4 2278 B10R0.29 C=CCC(C=C)O[C@H](C)C=O 4d19df7baaf929517355950bcce8d3eb [0,0,1,0,0,1|0,0,2]=4 2279 B12R1.27 C#CC(C)NCc1ccccc1 0c823c8410acc72523ada4697880703b [0,0,0,0,0,2|1,0,1]=4 2280 B12R1.27 C#CC(C)OCc1ccccc1 f6359202a87cde289007d81369eaa165 [0,0,0,0,0,2|1,0,1]=4 2281 B12R1.27 C#C[C@@H](C)NCc1ccccc1 51fd06b5dc99f337c53516eb04becf75 [0,0,0,0,0,2|1,0,1]=4 2282 B12R1.27 C#C[C@@H](C)OCc1ccccc1 5a1f683c3ddc74682e7065902596ab4b [0,0,0,0,0,2|1,0,1]=4 2283 B12R1.27 C#C[C@H](C)NCc1ccccc1 5c0b47a0f6d5613da204666041aaf216 [0,0,0,0,0,2|1,0,1]=4 2284 B12R1.27 C#C[C@H](C)OCc1ccccc1 760d62af860bc17bf4194987b15f5245 [0,0,0,0,0,2|1,0,1]=4 2285 B12R1.27 C=C(C=O)OCc1ccccc1 d9facb3ea82832fcb2b7bb0a7ba08bec [0,0,0,0,0,2|0,0,2]=4 2286 B12R1.27 C=CC(C)NCc1ccccc1 a2d84df39e96bf4d63bb9a0f31cf21bd [0,0,0,0,0,2|1,0,0]=3 2287 B12R1.27 C=CC(C)NCc1ccccn1 c2585ccce6fd2359aaa73835bf2cf65d [0,0,0,0,0,2|2,0,0]=4 2288 B12R1.27 C=CC(C)NCc1cccnc1 7cec8fd02050ec361d8281c4552c4fe2 [0,0,0,0,0,2|2,0,0]=4 2289 B12R1.27 C=CC(C)NCc1ccncc1 fd7a18089a5ba7430cb92b6d8f32ee57 [0,0,0,0,0,2|2,0,0]=4 2290 B12R1.27 C=CC(C)OCc1ccccc1 5eba3aa739773a1c08ab0c58859512d1 [0,0,0,0,0,2|1,0,0]=3 2291 B12R1.27 C=CC(C)OCc1ccccn1 bbdfd69ebb8ab53913fa15d4b2825809 [0,0,0,0,0,2|2,0,0]=4 2292 B12R1.27 C=CC(C)OCc1cccnc1 0e2ae91440488b0d8d3e25a4e88da374 [0,0,0,0,0,2|2,0,0]=4 2293 B12R1.27 C=CC(C)OCc1ccncc1 e24f5025453a289dfa949961b31f46dd [0,0,0,0,0,2|2,0,0]=4 2294 B12R1.27 C=CC(O)CNc1ccccc1 e6108fb7cfe75301d4d656a5d5d31162 [0,0,0,0,0,2|2,0,0]=4 2295 B12R1.27 C=C[C@H](C)OCc1ccccc1 723c5fd60a5c4ba97fa272fb1c420579 [0,0,0,0,0,2|1,0,0]=3 2296 B12R1.27 C=C[C@H](C)OCc1ccccn1 9eb6fc20ae0d5afdfad18379d27f9f8b [0,0,0,0,0,2|2,0,0]=4 2297 B12R1.27 C=C[C@H](C)OCc1cccnc1 06e7b3e5ebf7969bdca7cd59c31810f0 [0,0,0,0,0,2|2,0,0]=4 2298 B12R1.27 CC(C#N)CNc1ccccc1 bca83eb9ab77da1cbd259e8c3d4283ee [0,0,0,0,0,2|1,0,1]=4 2299 B12R1.27 CC(C#N)NCc1ccccc1 a297cbe65f4070e0226da02d61e71151 [0,0,0,0,0,2|1,0,1]=4 2300 B12R1.27 CC(C=O)NCc1ccccc1 52acbe8f861a146c2fae15c546c154ce [0,0,0,0,0,2|0,0,0]=2 2301 B12R1.27 CC(C=O)NCc1ccccn1 0951a0ee01d1b16bb17c0f8e58213b1e [0,0,0,0,0,2|1,0,0]=3 2302 B12R1.27 CC(C=O)NCc1cccnc1 355f37186fa2df6a1fe0c1b99c16c994 [0,0,0,0,0,2|1,0,0]=3 2303 B12R1.27 CC(C=O)NCc1cccnn1 f7914194e335d384b13fecaa58dee496 [0,0,0,0,0,2|2,0,0]=4 2304 B12R1.27 CC(C=O)NCc1ccncc1 265f47f3a9987f7cd704262036405d38 [0,0,0,0,0,2|1,0,0]=3 2305 B12R1.27 CC(C=O)NCc1ccncn1 0ffc28381cafa30bf6a686b3f8307a3f [0,0,0,0,0,2|2,0,0]=4 2306 B12R1.27 CC(C=O)NCc1ccnnc1 52b349a4763579658bdc30f4bde2e0bd [0,0,0,0,0,2|2,0,0]=4 2307 B12R1.27 CC(C=O)NCc1cnccn1 fafdb43f2983d03f73f0520daec21fcc [0,0,0,0,0,2|2,0,0]=4 2308 B12R1.27 CC(C=O)NCc1cncnc1 33619c76650c2d7e10da97c61483ea1f [0,0,0,0,0,2|2,0,0]=4 2309 B12R1.27 CC(C=O)NCc1ncccn1 3f786525937af98c2061621cf76f531c [0,0,0,0,0,2|2,0,0]=4 2310 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [0,0,0,0,0,2|0,0,0]=2 2311 B12R1.27 CC(C=O)OCc1ccccn1 1cd8eadb46df6e59cb4a04a39c1e77c7 [0,0,0,0,0,2|1,0,0]=3 2312 B12R1.27 CC(C=O)OCc1cccnc1 51ede6b99e44af095a1dfaa30f3ea80e [0,0,0,0,0,2|1,0,0]=3 2313 B12R1.27 CC(C=O)OCc1cccnn1 21123c033370273565f926229effccf6 [0,0,0,0,0,2|2,0,0]=4 2314 B12R1.27 CC(C=O)OCc1ccncc1 82db9291823d6d4efb135b517d9dc049 [0,0,0,0,0,2|1,0,0]=3 2315 B12R1.27 CC(C=O)OCc1ccncn1 cdca3498916abcc66b90440aaa61702e [0,0,0,0,0,2|2,0,0]=4 2316 B12R1.27 CC(C=O)OCc1ccnnc1 01995c46ed0068289e44318f7b6f16cf [0,0,0,0,0,2|2,0,0]=4 2317 B12R1.27 CC(C=O)OCc1cnccn1 a6bf276b7123bc8a9730bc60a4ba9730 [0,0,0,0,0,2|2,0,0]=4 2318 B12R1.27 CC(C=O)OCc1cncnc1 873c7d55de57e0e879e212bf7698f9be [0,0,0,0,0,2|2,0,0]=4 2319 B12R1.27 CC(C=O)OCc1ncccn1 c686780fab0ce6d674d8f8b5fbbc06e9 [0,0,0,0,0,2|2,0,0]=4 2320 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [0,0,0,0,0,2|1,0,1]=4 2321 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [0,0,0,0,0,2|0,0,2]=4 2322 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [0,0,0,0,0,2|0,0,2]=4 2323 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [0,0,0,0,0,2|0,1,1]=4 2324 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [0,0,0,0,0,2|1,0,1]=4 2325 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [0,0,0,0,0,2|1,0,1]=4 2326 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [0,0,0,0,0,2|1,0,1]=4 2327 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [0,0,0,0,0,2|1,0,1]=4 2328 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [0,0,0,0,0,2|1,0,1]=4 2329 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [0,0,0,0,0,2|1,0,1]=4 2330 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [0,0,0,0,0,2|1,0,1]=4 2331 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [0,0,0,0,0,2|1,0,1]=4 2332 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [0,0,0,0,0,2|1,0,1]=4 2333 B12R1.27 CN(C=O)CCc1ccccc1 9fb02e1cb373d4704048d9ef6c04ee21 [0,0,0,0,0,2|1,0,0]=3 2334 B12R1.27 CN(C=O)CCc1ccccn1 16a2ece4ff1bacf526fae60eca9f8ffa [0,0,0,0,0,2|2,0,0]=4 2335 B12R1.27 CN(C=O)CCc1cccnc1 ccdb98ff89857da134ddd0f017e9db4f [0,0,0,0,0,2|2,0,0]=4 2336 B12R1.27 CN(C=O)CCc1ccncc1 f145a26c0f8191f8592a6b75153f43a0 [0,0,0,0,0,2|2,0,0]=4 2337 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [0,0,0,0,0,2|2,0,0]=4 2338 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [0,0,0,0,0,2|2,0,0]=4 2339 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [0,0,0,0,0,2|2,0,0]=4 2340 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [0,0,0,0,0,2|0,0,2]=4 2341 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [0,0,0,0,0,2|0,0,2]=4 2342 B12R1.27 C[C@H](C=O)NCc1ccccc1 645b627cd889138b5240bcb1ce686b72 [0,0,0,0,0,2|0,0,0]=2 2343 B12R1.27 C[C@H](C=O)NCc1ccccn1 03bdbd8da67049c2d2c33d47db20e2fa [0,0,0,0,0,2|1,0,0]=3 2344 B12R1.27 C[C@H](C=O)NCc1cccnc1 47cfbb35f7e7c7b0499ef97765177bd2 [0,0,0,0,0,2|1,0,0]=3 2345 B12R1.27 C[C@H](C=O)NCc1cccnn1 657071ba38b6ea55f45a9b75d84e4c25 [0,0,0,0,0,2|2,0,0]=4 2346 B12R1.27 C[C@H](C=O)NCc1ccncc1 ccea8fe7d65d626f79faa41d0215f7ff [0,0,0,0,0,2|1,0,0]=3 2347 B12R1.27 C[C@H](C=O)NCc1ccncn1 2ff71016de2465e0e088d4646675cf16 [0,0,0,0,0,2|2,0,0]=4 2348 B12R1.27 C[C@H](C=O)NCc1ccnnc1 30bbe09a0e1bf762a9f45548cdf600ee [0,0,0,0,0,2|2,0,0]=4 2349 B12R1.27 C[C@H](C=O)NCc1cnccn1 00a48b8902f9721f5a3d11f6dee664fc [0,0,0,0,0,2|2,0,0]=4 2350 B12R1.27 C[C@H](C=O)NCc1cncnc1 01df7ca352bd706abbb7ccfad7fc8a21 [0,0,0,0,0,2|2,0,0]=4 2351 B12R1.27 C[C@H](C=O)NCc1ncccn1 e9aeda99371a6cb1c1b0cc534ac8735b [0,0,0,0,0,2|2,0,0]=4 2352 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [0,0,0,0,0,2|0,0,0]=2 2353 B12R1.27 C[C@H](C=O)OCc1ccccn1 77e036a149c9b895f58a4f79f65d470f [0,0,0,0,0,2|1,0,0]=3 2354 B12R1.27 C[C@H](C=O)OCc1cccnc1 56d6eb81a4dd63eb667314ef58479328 [0,0,0,0,0,2|1,0,0]=3 2355 B12R1.27 C[C@H](C=O)OCc1cccnn1 65266623877ef171e93c3c92f1781a12 [0,0,0,0,0,2|2,0,0]=4 2356 B12R1.27 C[C@H](C=O)OCc1ccncc1 4516527db7ccfbd7ba68d2eb1b2efd9c [0,0,0,0,0,2|1,0,0]=3 2357 B12R1.27 C[C@H](C=O)OCc1ccncn1 9cfb53ab0921ae94da9c12afa06e5666 [0,0,0,0,0,2|2,0,0]=4 2358 B12R1.27 C[C@H](C=O)OCc1ccnnc1 94e75e6c1ab8851d21e971f511695336 [0,0,0,0,0,2|2,0,0]=4 2359 B12R1.27 C[C@H](C=O)OCc1cnccn1 a1de2c21d85cbf557f40a4ba5e6a0c0d [0,0,0,0,0,2|2,0,0]=4 2360 B12R1.27 C[C@H](C=O)OCc1cncnc1 419007f6b3ca08c358af5b7dc07b657a [0,0,0,0,0,2|2,0,0]=4 2361 B12R1.27 C[C@H](C=O)OCc1ncccn1 4e06b65e0320c112989734747d3db285 [0,0,0,0,0,2|2,0,0]=4 2362 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [0,0,0,0,0,2|0,0,2]=4 2363 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [0,0,0,0,0,2|0,0,2]=4 2364 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [0,0,0,0,0,2|0,1,1]=4 2365 B12R1.27 O=CC(=O)NCc1ccccc1 970d8ad05ab6cb0901c43fa67531a907 [0,0,0,0,0,2|1,0,1]=4