0 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 CCN(C)c1ccncn1 d3188d994a55f552daffb246c4de2ff9 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 CCN(C)c1ccnnc1 1ac91ab60a635fb5329291a771fa3c6f [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 CCN(C)c1ncccn1 2190b05b172124b2ca945163c4e222f5 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CN(CF)c1ccccn1 1bdd19ff0d205b3af825ce3149dae35a [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 CN(CF)c1cccnn1 87ccbbd311af984b471e31f39b7d88c9 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.15 CN(CF)c1ccncc1 ce40ba3bf88af1d1b771c6b7bb26d1be [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 CN(CF)c1ccncn1 dd35d7d4b1ae5a94e3a96155d3ddf989 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.15 CN(CF)c1ccnnc1 0c9da5c6da60c83529fa5fe8b531fc7e [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 CN(CF)c1cnccn1 a9fa5c6bd903856b36188b1f0c8b1c0b [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 CN(CF)c1ncccn1 b1999854f0746572e7784887c3a97b9c [0,0,0,0,0,0|4,0,0]=4 18 B10R1.15 CN(CO)c1ccccn1 a93cc933fdb4d1c91563e07701d40cda [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 CN(CO)c1cccnn1 be811b1cf960929fa458e0250d378c6f [0,0,0,0,0,0|4,0,0]=4 21 B10R1.15 CN(CO)c1ccncc1 80b84f29ca23cc8379579376d55abff3 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.15 CN(CO)c1ccncn1 a0ce77c92dad4b75e71448a3bf35bb62 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 CN(CO)c1ccnnc1 3ebc8b69df9d99c700bae61759c92f97 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.15 CN(CO)c1cnccn1 789c6aa6696e30e272870a4861e371ee [0,0,0,0,0,0|4,0,0]=4 25 B10R1.15 CN(CO)c1ncccn1 1d0259c5924bbad417fbb3fa93be26d3 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 FCNc1ccncc1 b2ec03e01efad68d3352b8bfa837899b [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 FCOc1ccncc1 ac9d070deb144d6d363d1c265a3b25fa [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 OCNc1ccncc1 25e64b963b18028da179c82ed337c929 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.12 CCN(C#N)c1ccccc1 0a33bcc251eace95a09e2548bafab86c [0,1,0,0,0,0|1,0,2]=4 45 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.12 CCN(CC)c1cccnc1 52601769ca231e644678fff005cbe4b5 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.12 CCN(CC)c1ccncc1 bf026ae365b27c547be52cfeb1478f62 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.12 CCN(CF)c1ccccc1 64bfdf9f1ec7c91dbb7909bf38760f4f [0,1,0,0,0,0|2,0,0]=3 49 B11R1.12 CCN(CF)c1cccnc1 0312fe3f0e237cbe2838982475b5dabc [0,1,0,0,0,0|3,0,0]=4 50 B11R1.12 CCN(CF)c1ccncc1 c298427cc541b05e46a8143cd765c6fe [0,1,0,0,0,0|3,0,0]=4 51 B11R1.12 CCN(CO)c1cccnc1 f2903e21d817aefbbc8f3b43452e9503 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.12 CCN(CO)c1ccncc1 9a2bb89d1d15d0db5baaf2e0ee929a17 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.12 N#CN(CO)c1ccccc1 a68ba6ef8e1f16dac15967f291cfe801 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.16 C#CCN(C)c1ccccc1 3ca89e194431e8e98a41325339f135b2 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.16 C#CCN(C)c1ccccn1 937eb3ef8ac60b7b7c8decf7a07eab7f [0,1,0,0,0,0|3,0,0]=4 56 B11R1.16 C#CCN(C)c1cccnc1 677bb9d321a9264925fa484ec0ca7af7 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.16 C#CCN(C)c1ccncc1 109221ae4e47a38047129689549ea7d2 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.16 C=CCN(C)c1ccccc1 cb57bdb31a063701918aa00f058638bf [0,1,0,0,0,0|2,0,0]=3 59 B11R1.16 C=CCN(C)c1ccccn1 d1965239475cc8283ac27acb48b569ca [0,1,0,0,0,0|3,0,0]=4 60 B11R1.16 C=CCN(C)c1cccnc1 4d9cbfab931614ef9e9cc7b0df80f0bd [0,1,0,0,0,0|3,0,0]=4 61 B11R1.16 C=CCN(C)c1ccncc1 2a2b78024b7b5bc063fdf9902cf860ae [0,1,0,0,0,0|3,0,0]=4 62 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.16 CC(NC=O)c1ccccn1 2d9ff4713c5fb2a2245e54b6347c7c9e [0,1,0,0,0,0|2,0,1]=4 64 B11R1.16 CC(NC=O)c1cccnc1 8993d9f42ad801a00b7dbd874864f118 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.16 CC(NC=O)c1ccncc1 5faf024cdfd5434d1564838bc71dc42c [0,1,0,0,0,0|2,0,1]=4 66 B11R1.16 CC(NCF)c1ccccn1 0905269fa9a0af5b89b0863135e0ba86 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.16 CC(NCF)c1cccnn1 7e30e545e3f71f315947713193d28c00 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.16 CC(NCF)c1ccncc1 52244c9bda4d3b96fb892679ba84673a [0,1,0,0,0,0|2,0,0]=3 70 B11R1.16 CC(NCF)c1ccncn1 2b6efc8c9e99fb99e4141e7af05e3c65 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.16 CC(NCF)c1ccnnc1 aa021968e8b143531c7c8ee9afac5e7f [0,1,0,0,0,0|3,0,0]=4 72 B11R1.16 CC(NCF)c1cnccn1 98fa7db5c4884fbbbdf1607e1137c7e9 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.16 CC(NCF)c1cncnc1 e952069764cad51edd561617bd999dbd [0,1,0,0,0,0|3,0,0]=4 74 B11R1.16 CC(NCF)c1ncccn1 a8ef8cc11827c1c234dc0dbaebe73977 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.16 CC(NCO)c1ccccn1 92e2d7a3e5eb4a0cf656a3abd8120ca1 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.16 CC(NCO)c1cccnn1 cdc5021fcca39b3957422f2e8bcf1270 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.16 CC(NCO)c1ccncc1 c1d5cc5db08b36fc1a8cd8b573f9e139 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.16 CC(NCO)c1ccncn1 cb7e7ea8a01294c466ca538217d18891 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.16 CC(NCO)c1ccnnc1 2e101848f31fcf97ba612ab1eb7820fa [0,1,0,0,0,0|3,0,0]=4 81 B11R1.16 CC(NCO)c1cnccn1 dd375ba3f51181f3178a09958c46ca97 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.16 CC(NCO)c1cncnc1 9fc9ecc98a1b748cf2370860194d8dc5 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.16 CC(NCO)c1ncccn1 3265212dd8f0014d8897c4c2333ba145 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.16 CC(OCF)c1cccnn1 64ac9fb3bf5386ac880364342f37e543 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.16 CC(OCF)c1ccncc1 6bf0979779201a0d2383a11ee6cede62 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.16 CC(OCF)c1cnccn1 edaa78b62734f3603bd18d85f98d58c9 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.16 CC(OCF)c1cncnc1 e7955bbada7d31c4fe415a4f864b365e [0,1,0,0,0,0|3,0,0]=4 91 B11R1.16 CC(OCF)c1ncccn1 3be8fce151d8c4aa29e24030e3bad42d [0,1,0,0,0,0|3,0,0]=4 92 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [0,1,0,0,0,0|2,0,0]=3 93 B11R1.16 CCCN(C)c1ccccn1 8ff1db8620efe8553f2af13d547cf9e1 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.16 CCCN(C)c1cccnc1 28cb54c9c808eaf7ba52852976110e8a [0,1,0,0,0,0|3,0,0]=4 95 B11R1.16 CCCN(C)c1ccncc1 f3869aa81991c685d55848e048247f3e [0,1,0,0,0,0|3,0,0]=4 96 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [0,1,0,0,0,0|2,0,0]=3 98 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,1,0,0,0,0|2,0,0]=3 99 B11R1.16 CCNC(C)c1cccnn1 efc02f97da2becc35b8d266864811e35 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [0,1,0,0,0,0|2,0,0]=3 101 B11R1.16 CCNC(C)c1ccncn1 22930201dd5caefefa3309491753d9e9 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.16 CCNC(C)c1ccnnc1 0713f69abf6a393210781cec459513ed [0,1,0,0,0,0|3,0,0]=4 103 B11R1.16 CCNC(C)c1cnccn1 3027041055109ccfc9487eb2dd1789f2 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.16 CCNC(C)c1cncnc1 ab3fa3d22d74a84898be02b87f8fd66a [0,1,0,0,0,0|3,0,0]=4 105 B11R1.16 CCNC(C)c1ncccn1 112a21bda09e683bb3edc0c3fc56d505 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [0,1,0,0,0,0|1,0,0]=2 107 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [0,1,0,0,0,0|2,0,0]=3 108 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [0,1,0,0,0,0|2,0,0]=3 110 B11R1.16 CCN[C@@H](C)c1cncnc1 a5c49eac43efe2289be51d06c11c7575 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.16 CCN[C@H](C)c1cncnc1 186d78fcf30dda4d736d86a57c2d1693 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,0|1,0,0]=2 117 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [0,1,0,0,0,0|2,0,0]=3 118 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.16 CCOC(C)c1cccnn1 b45ba464b06ee6bdc1c736a50ffd8553 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [0,1,0,0,0,0|2,0,0]=3 121 B11R1.16 CCOC(C)c1cnccn1 c43729a6fd74b4ab221ba3a8754f47ca [0,1,0,0,0,0|3,0,0]=4 122 B11R1.16 CCOC(C)c1ncccn1 1fedda22cfecf8948662f3eef3f690f9 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [0,1,0,0,0,0|2,0,0]=3 127 B11R1.16 CCO[C@@H](C)c1ccncn1 ecda7948a20662ef60b97d1988299e8d [0,1,0,0,0,0|3,0,0]=4 128 B11R1.16 CCO[C@@H](C)c1cnccn1 8a6e3a914bc27167363a585a0aa27251 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.16 CCO[C@@H](C)c1ncccn1 4240750fe2b64fee8772620e302ddfbe [0,1,0,0,0,0|3,0,0]=4 130 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.16 CCO[C@H](C)c1cccnn1 5e113335bfa1da5c764374cee09167f3 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [0,1,0,0,0,0|2,0,0]=3 135 B11R1.16 CCO[C@H](C)c1cnccn1 5d3b5896b879729f1ffbe4449af13432 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.16 CCO[C@H](C)c1ncccn1 f16129f9fc3238ad0c96779a2995a1df [0,1,0,0,0,0|3,0,0]=4 137 B11R1.16 CN(CC#N)c1ccccc1 e4996d8d05652ac5f69757d7a543c8c3 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.16 CN(CC#N)c1ccccn1 904f8a3c510f5b22b95a0a16cacb3d59 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.16 CN(CC#N)c1cccnc1 e1d558f0b036ef6c10e97a630c12b31f [0,1,0,0,0,0|2,0,1]=4 140 B11R1.16 CN(CC#N)c1ccncc1 2d2e87564e60d0e9086dae2dc71c96d7 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.16 CN(CC=O)c1ccccc1 669b7315010cb1229c9893a5bac75e38 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.16 CN(CC=O)c1ccccn1 8eeacaea1098a53010acec6d489e7e31 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.16 CN(CC=O)c1cccnc1 4e735c7da6851d8cd391939506ab7153 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.16 CN(CC=O)c1ccncc1 4f1a5e470d242783af0cc78d9b673eed [0,1,0,0,0,0|3,0,0]=4 145 B11R1.16 CN(CCF)c1ccccc1 10541e2e32dac0db7a85ea44620c0e3e [0,1,0,0,0,0|2,0,0]=3 146 B11R1.16 CN(CCF)c1cccnc1 0c417327f73403e17ed488303ca6b0c4 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.16 CN(CCF)c1ccncc1 bd3fbcee4c8d75fe9f1ec4c8807aa902 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.16 CN(CCO)c1ccccc1 4b734b8d391d02ddf47f0308fb1d22c8 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.16 CN(CCO)c1ccccn1 e37523a54a1bd0bac80e99fe2cbc8f05 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.16 CN(CCO)c1cccnc1 47cb1f96fe61f8c7bd838cc6c9d317ed [0,1,0,0,0,0|3,0,0]=4 151 B11R1.16 CN(CCO)c1ccncc1 3a6a0ee6c83dc5948a0c721338083c57 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.16 CN(CCS)c1ccccn1 de84abbd40dd1eead0c63b1f2ba48791 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.16 CN(CCS)c1cccnc1 5bb9078bc645c6a66ca8b72acfaf15de [0,1,0,0,0,0|3,0,0]=4 154 B11R1.16 CN(CCS)c1ccncc1 6b7a6f86f0d58bddc30bb09414ed45b7 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [0,1,0,0,0,0|2,0,0]=3 156 B11R1.16 COCN(C)c1ccccn1 66cbdeedae67899dab62ab4e4b9abfe2 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.16 COCN(C)c1ccncc1 844858b0bf6accc4b68ce8147d0d88ed [0,1,0,0,0,0|3,0,0]=4 159 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [0,1,0,0,0,0|2,0,0]=3 160 B11R1.16 CSCN(C)c1ccccn1 b50faf9300869282fdd09bc9d262195a [0,1,0,0,0,0|3,0,0]=4 161 B11R1.16 CSCN(C)c1cccnc1 85210a97edc62a2031929b5c7394c57b [0,1,0,0,0,0|3,0,0]=4 162 B11R1.16 CSCN(C)c1ccncc1 4f774618b2036be44522889267e87b2f [0,1,0,0,0,0|3,0,0]=4 163 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.16 C[C@@H](NC=O)c1ccccn1 cab0a06ffe0df70443a13b7bf3f0f929 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.16 C[C@@H](NC=O)c1cccnc1 ac95236c8efa48d11de85080c1ed1da7 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.16 C[C@@H](NC=O)c1ccncc1 8f84254a89086749004a481ae3d5fd96 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.16 C[C@@H](NCF)c1ccccn1 99b97b5aa9cfaef5c750c0b6f424a155 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,1,0,0,0,0|2,0,0]=3 169 B11R1.16 C[C@@H](NCF)c1ccncc1 7c723b81de2f22629dc13a66a3539cc2 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.16 C[C@@H](NCF)c1cncnc1 d2556980dc263894fd6ad9dce0e55681 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.16 C[C@@H](NCO)c1ccccn1 06a1df171fb3e867c231d94d30fe4c59 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.16 C[C@@H](NCO)c1ccncc1 7d10d857a4fd7fe5ca5ccba46504091e [0,1,0,0,0,0|2,0,0]=3 174 B11R1.16 C[C@@H](NCO)c1cncnc1 1c0554ba6fa8c60365eaf20efc996e54 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.16 C[C@@H](OCF)c1cccnn1 3bd1e0f6c80525dfebefd4823c4e201f [0,1,0,0,0,0|3,0,0]=4 179 B11R1.16 C[C@@H](OCF)c1ccncc1 1ab9725f241037c368e977085ea4a520 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.16 C[C@@H](OCF)c1cnccn1 4ec1a495205071e6cae2957a86acc99e [0,1,0,0,0,0|3,0,0]=4 181 B11R1.16 C[C@@H](OCF)c1ncccn1 4ef5d7d7be4b61507d3fe34c1cbe860b [0,1,0,0,0,0|3,0,0]=4 182 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.16 C[C@H](NC=O)c1ccccn1 353a0771be422f9d7abafb8a3ade0569 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.16 C[C@H](NC=O)c1cccnc1 03b40f19b3a9bf3d85026c98e0fcf432 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.16 C[C@H](NC=O)c1ccncc1 a397d98d692b7c5c0acb296625e84080 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.16 C[C@H](NCF)c1ccccn1 3f81f6af69df7aaa916f5a60f5ffdf6c [0,1,0,0,0,0|2,0,0]=3 187 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.16 C[C@H](NCF)c1ccncc1 01b512844ac187d8e5e90b8a3d251ae9 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.16 C[C@H](NCF)c1cncnc1 7fe79e612bc0b48ae8a80ef31a10a3fc [0,1,0,0,0,0|3,0,0]=4 190 B11R1.16 C[C@H](NCO)c1ccccn1 d98746896574333cf45787ddae8ffaa8 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.16 C[C@H](NCO)c1ccncc1 6f6a1ba3773069295a22e913e615ab17 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.16 C[C@H](NCO)c1cncnc1 5bbbb0b60e6c2ff1d740a2b5c5c4b1bf [0,1,0,0,0,0|3,0,0]=4 194 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [0,1,0,0,0,0|1,0,0]=2 195 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.16 C[C@H](OCF)c1ccncc1 1ba2b2d00b1ff65d044471b9d6a9a89a [0,1,0,0,0,0|2,0,0]=3 198 B11R1.16 C[C@H](OCF)c1ccncn1 26bd6104abadfb12494f6a186c29cea4 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.16 C[C@H](OCF)c1cnccn1 3a4066349d3d9540ab63cf5616e22030 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.16 C[C@H](OCF)c1ncccn1 fefd2fdae544c7c875bfd9c11d18795f [0,1,0,0,0,0|3,0,0]=4 201 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [0,1,0,0,0,0|2,0,0]=3 203 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [0,1,0,0,0,0|2,0,0]=3 204 B11R1.22 CCN(C)c1ccc(cn1)C 09e547625bc47d07ffa7b31de636862b [0,1,0,0,0,0|3,0,0]=4 205 B11R1.22 CCN(C)c1ccc(cn1)Cl c558c548bcbb0876eff9f96eddc564c3 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.22 CCN(C)c1ccc(cn1)F 48c4bff180c1cecc4a421b3eb0d4f7ed [0,1,0,0,0,0|3,0,0]=4 207 B11R1.22 CCN(C)c1ccc(cn1)I 5a436a740647170bba1c52d7e65abc74 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.22 CCN(C)c1ccc(nc1)Br b6445fecc0c7fd88b71c31623fcd006b [0,1,0,0,0,0|3,0,0]=4 209 B11R1.22 CCN(C)c1ccc(nc1)Cl 98116e0be953dec717bcac000adb9db0 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.22 CCN(C)c1ccc(nc1)F 5c2f83595d7ddc2f36ec5baf4ef48449 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.22 CN(C=O)c1ccc(cc1)Br 9862ed13c945c79fb65fa51787bd2093 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.22 CN(C=O)c1ccc(cc1)Cl d432c23837319192897a660c45f339ba [0,1,0,0,0,0|2,0,1]=4 213 B11R1.22 CN(C=O)c1ccc(cc1)F f939c668a8e6f39bb7cc93a9ebd979dd [0,1,0,0,0,0|2,0,1]=4 214 B11R1.22 CN(C=O)c1ccc(cc1)I 86b31576c767147a57657625de6a4cf6 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.22 CN(C=O)c1ccc(cc1)O 71050cca6cc6c2a34d54c8525596398a [0,1,0,0,0,0|2,0,1]=4 216 B11R1.22 CN(C=O)c1ccc(cc1)S f07b31b3eaa976c4ece94ae29131a1b8 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.22 CN(CF)c1ccc(cc1)Br 6b91b8da88ddbfb295c2dccdb6cb4076 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.22 CN(CF)c1ccc(cc1)Cl 0c4cb302bade12f5a411b01a9042b3ea [0,1,0,0,0,0|2,0,0]=3 219 B11R1.22 CN(CF)c1ccc(cc1)F 7a7162e57e22a4f5e6a55d2c6d204d3d [0,1,0,0,0,0|2,0,0]=3 220 B11R1.22 CN(CF)c1ccc(cc1)I 6d998585b1c8e8e7964bc459bdd74230 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.22 CN(CF)c1ccc(cc1)S 790104648dfcde077abfb3f2fb190f26 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.22 CN(CF)c1ccc(cn1)Br 0accf49f3daf3c795b1f0da487ab4307 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.22 CN(CF)c1ccc(cn1)Cl dcc085381966ce850057a4adb6e9f7db [0,1,0,0,0,0|3,0,0]=4 224 B11R1.22 CN(CF)c1ccc(cn1)F 6645e51484b4b157daff5a282067e501 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.22 CN(CF)c1ccc(cn1)I 7289be608978ceac22e435cd15997bfa [0,1,0,0,0,0|3,0,0]=4 226 B11R1.22 CN(CF)c1ccc(nc1)Br 4bb225af42653459b0654367fa893ce4 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.22 CN(CF)c1ccc(nc1)Cl 8246b6410577b0c0799a8aff1ab8065d [0,1,0,0,0,0|3,0,0]=4 228 B11R1.22 CN(CF)c1ccc(nc1)F a0cadd87a21dc88c3f98977df6903909 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.22 CN(CO)c1ccc(cc1)Br a0ee612d9ade0f057f40eda0edee63d6 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.22 CN(CO)c1ccc(cc1)Cl 2c0dfaf13b4e02b467d222656644d816 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.22 CN(CO)c1ccc(cc1)F c1ecf99a3d9f55a2562607c88c44d1b8 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.22 CN(CO)c1ccc(cc1)I 148086324dd93cd760089e4e94a122ba [0,1,0,0,0,0|2,0,0]=3 233 B11R1.22 CN(CO)c1ccc(cc1)S 7e6f64a1230a5e349b82adbdac7f2cd1 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.22 CN(CO)c1ccc(cn1)Br 441f0e6a18ca996438954e2345eace58 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.22 CN(CO)c1ccc(cn1)Cl b1a15170f64128ed2e55add1d787c49d [0,1,0,0,0,0|3,0,0]=4 236 B11R1.22 CN(CO)c1ccc(cn1)F 79bd91f3def1e2c00a9b5706b9b52659 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.22 CN(CO)c1ccc(cn1)I 21b41dcbbc9caba9e412349c996dabb9 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.22 CN(CO)c1ccc(nc1)Br 5c0340a31595aefc3641bad2ceba5b5e [0,1,0,0,0,0|3,0,0]=4 239 B11R1.22 CN(CO)c1ccc(nc1)Cl 3f68dd1ab859b8583535f7e17ec0b0b9 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.22 CN(CO)c1ccc(nc1)F 251eb8b660b995afa2064258cc123443 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [0,1,0,0,0,0|2,0,1]=4 242 B11R1.22 Cc1ccc(cc1)N(C)CF d9ca75efcf22688224e11802328b1cd1 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.22 Cc1ccc(cc1)N(C)CO 3f90488aa46443ae7ceb46a9828e79d3 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.22 Cc1ccc(cn1)N(C)CF 2546e77743898b53bffb42ed8663c755 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.22 Cc1ccc(nc1)N(C)CF 87b56741bfd3e97e56f977017007d6d4 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.22 Cc1ccc(nc1)N(C)CO 70554dbd3962e7f10de375b087560d11 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.23 CCN(C)c1cc(ccn1)Br 04e0ce28cf290558a1b5ef23009381b2 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.23 CCN(C)c1cc(ccn1)C a3fb3d506e0aa8bc01390f436b3f57fb [0,1,0,0,0,0|3,0,0]=4 249 B11R1.23 CCN(C)c1cc(ccn1)Cl 3d23dc5ff3e66bd32817f92db7d45321 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.23 CCN(C)c1cc(ccn1)F acdf0fc420fc80413aa8e17060c46482 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.23 CCN(C)c1cc(ccn1)I b295003db51738a864f3881b26ca4115 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.23 CCN(C)c1ccc[n+](c1)[O-] aa3e5a266f6ebeec9cbabc1cd2da24fc [0,1,0,0,0,0|3,0,0]=4 253 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [0,1,0,0,0,0|2,0,0]=3 254 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.23 CCN(C)c1ccnc(c1)Br 76e6dea3cc6c864be672b3ebb03629f4 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.23 CCN(C)c1ccnc(c1)Cl e1de3c06386e1978d0ddc6f1228b4b70 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.23 CCN(C)c1cncc(c1)Br 4e8a54f314758cec6db1d44208066fb3 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.23 CCN(C)c1cncc(c1)C c586f1c7bab338ac78be772791134673 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.23 CCN(C)c1cncc(c1)F 9ab7e09f4c927efd8d017c75c729608f [0,1,0,0,0,0|3,0,0]=4 260 B11R1.23 CN(C=O)c1cccc(c1)Br 04e2b42b796ef8d05d5e843c6bfac7b3 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.23 CN(C=O)c1cccc(c1)Cl 6a133c007011cf0443d8614b42cd9db1 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.23 CN(C=O)c1cccc(c1)F d6a1f4912d17ef5b2ef6dd6e9a7cc16c [0,1,0,0,0,0|2,0,1]=4 263 B11R1.23 CN(C=O)c1cccc(c1)I 0412fe6299fa843b927c099de9b2eca3 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.23 CN(C=O)c1cccc(c1)O 61c55a3ac80552d55fb98f08b327401d [0,1,0,0,0,0|2,0,1]=4 265 B11R1.23 CN(CF)c1cc(ccn1)Br d3327e80ca90967bac58c5dbfb790bc9 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.23 CN(CF)c1cc(ccn1)Cl 14cfbe0ad4cfd26b5110f3195eb648c5 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.23 CN(CF)c1cc(ccn1)F 9a68ceeca4aa724c80334740a5ababbe [0,1,0,0,0,0|3,0,0]=4 268 B11R1.23 CN(CF)c1cc(ccn1)I 96b6d376303e94650836db1e2f46b720 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.23 CN(CF)c1cccc(c1)Br 7a123ee73cafbdd957621bfb9faccc3f [0,1,0,0,0,0|2,0,0]=3 270 B11R1.23 CN(CF)c1cccc(c1)Cl 3c5b88557b8c81a0b3c7ed9ad71bde08 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.23 CN(CF)c1cccc(c1)F 222030735d42d27fe394bc21ac4ac2c3 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.23 CN(CF)c1cccc(c1)I a4932831bd90a86126da38899926fb81 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.23 CN(CF)c1ccnc(c1)Br 679ccad09618ae826f5b76db8916bcaf [0,1,0,0,0,0|3,0,0]=4 274 B11R1.23 CN(CF)c1ccnc(c1)Cl f085f5516d15ee9cec3e5f92a69a0924 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.23 CN(CF)c1ccnc(c1)F de060a009155b761d0d671c6eea8e984 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.23 CN(CF)c1cncc(c1)Br 9ef50a3a3c8848435ec59e9659ee2da0 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.23 CN(CO)c1cc(ccn1)Br d42a4adc808f3fe53410bdd01fd34e77 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.23 CN(CO)c1cc(ccn1)Cl ba22244b0b209c33c31063873d0debb3 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.23 CN(CO)c1cc(ccn1)F 17452976f28924d26e52a7db4ce0bc1e [0,1,0,0,0,0|3,0,0]=4 280 B11R1.23 CN(CO)c1cc(ccn1)I a68ebd4a2d0395f3585a421749baa45b [0,1,0,0,0,0|3,0,0]=4 281 B11R1.23 CN(CO)c1cccc(c1)Br 338387980ae1b5bd1aeb8f0f3d8c21d1 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.23 CN(CO)c1cccc(c1)Cl cddd29b5bf9afdf9ebf4b5b2535c5ce6 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.23 CN(CO)c1cccc(c1)F 0413508efd514c5105c44e46cec3cac8 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.23 CN(CO)c1cccc(c1)I 1efe9cbcfb545c4004f668bff7e82fc4 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.23 CN(CO)c1ccnc(c1)Br c315a6efb9013c7816fc12853e052bcd [0,1,0,0,0,0|3,0,0]=4 286 B11R1.23 CN(CO)c1ccnc(c1)Cl 1b939757e29dd366744303ceb9eae384 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.23 CN(CO)c1ccnc(c1)F 4b8f62bba665328ec222f28cd53ed24b [0,1,0,0,0,0|3,0,0]=4 288 B11R1.23 CN(CO)c1cncc(c1)Br db23f607a81ba65a023618f3fa5645fb [0,1,0,0,0,0|3,0,0]=4 289 B11R1.23 Cc1cccc(c1)N(C)C=O 8d3d604d6ddb9f04039aac9ce5e10e5e [0,1,0,0,0,0|2,0,1]=4 290 B11R1.23 Cc1cccc(n1)N(C)CO 6226fae6684289047a69c3a02aa3e8bd [0,1,0,0,0,0|3,0,0]=4 291 B11R1.23 Cc1ccnc(c1)N(C)CF e59bf6ca54b6bb82192da0b42b6746e3 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.23 Cc1ccnc(c1)N(C)CO ccee6f35dde2a703240c4d9eda0c11b2 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.23 Cc1cncc(c1)N(C)CF e39e3154ae7dd424a122334133e1845b [0,1,0,0,0,0|3,0,0]=4 294 B11R1.23 Cc1cncc(c1)N(C)CO a9dc5d3a4f411de95b028d7301a04961 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.222 CCN(C)c1c[nH]ccc1=O 6abf9d241073cc2f75f27abcbd05cc80 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.222 CCN(C)c1c[nH]ccc1=S 3b8bfde396fba92e7eb31b571ef2cfc9 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.222 CCN(C)c1ccccc1C 9f04b12bb5b89a6592eb728905a01c8b [0,1,0,0,0,0|2,0,0]=3 298 B11R1.222 CCN(C)c1ccccc1F f232548c9b2f85032dbceb393dfbf769 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.222 CCN(C)c1cccnc1Br 2a9bac7653109ad7cb22a369e9423ffb [0,1,0,0,0,0|3,0,0]=4 300 B11R1.222 CCN(C)c1cccnc1C 0ddb97fac4b005bf5151e63b04814336 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.222 CCN(C)c1cccnc1Cl 583cec184083a5a308a72f647a6e90c8 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.222 CCN(C)c1cccnc1F 60886e25b7b16c0395a71018cc5328fb [0,1,0,0,0,0|3,0,0]=4 303 B11R1.222 CCN(C)c1ccncc1Br ccb3e872aa001b849f57f7f1c95acc2c [0,1,0,0,0,0|3,0,0]=4 304 B11R1.222 CCN(C)c1ccncc1Cl 77b156bc59a171c6b8d2f72d43f0a7f0 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.222 CCN(C)c1ccncc1F e76df267d7ee7f820b7c04ff35842c24 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.222 CCN(C)c1ccncc1I 6cb3319af68be9f3f92d0a5d3981f1a8 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.222 CCN(C)c1cnccc1C 15650ab426688eaaa83948de77c329f3 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.222 CCN(C)c1cnccc1Cl 7d79648c65c6505b388546f3ddc49f07 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.222 CCN(C)c1cnccc1F fe6028fb3ed3222dd3d425a51ab84bcb [0,1,0,0,0,0|3,0,0]=4 310 B11R1.222 CCN(C)c1ncccc1C 1e30fac82468209390e0b5f96fc3f6e5 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.222 CCN(C)c1ncccc1Cl 83cf3b72625659b2ba48d78213030296 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.222 CCN(C)c1ncccc1F 00a0e1fae815648efad6bba19128001c [0,1,0,0,0,0|3,0,0]=4 313 B11R1.222 CCN(C)c1ncccc1I adae5b28a255cf01c9ab2ebaac117c29 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.222 CN(C=O)c1ccccc1Br 3426899914cb277130ea1a231941052f [0,1,0,0,0,0|2,0,1]=4 315 B11R1.222 CN(C=O)c1ccccc1Cl 135f44500c6825a6172cd53bd209f325 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.222 CN(C=O)c1ccccc1F b02bb0760d6e84d207ae27e31e461504 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.222 CN(C=O)c1ccccc1O 4c3e44ceba918ddfd6ff42ad51415b5c [0,1,0,0,0,0|2,0,1]=4 318 B11R1.222 CN(CF)c1ccccc1F 664f2d950c125d3a1fa31610e43e1d60 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.222 CN(CF)c1cccnc1Br f1141014772045993efee3a74cc600d3 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.222 CN(CF)c1cccnc1Cl 14c2cd2b2e079fa656bf72819f7359ce [0,1,0,0,0,0|3,0,0]=4 321 B11R1.222 CN(CF)c1cccnc1F 2c8f4b66361503e7617d74f0b827167b [0,1,0,0,0,0|3,0,0]=4 322 B11R1.222 CN(CF)c1ccncc1Br 526561309139574da3982fbb3f8c6dbd [0,1,0,0,0,0|3,0,0]=4 323 B11R1.222 CN(CF)c1ccncc1Cl bdc29d39951997f472728333cff3dd6d [0,1,0,0,0,0|3,0,0]=4 324 B11R1.222 CN(CF)c1ccncc1I f8f86485fda1aea8e44fd621d1751736 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.222 CN(CF)c1cnccc1Cl 1ba2f6465a062a2c0a0d3243ed979595 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.222 CN(CF)c1cnccc1F 00a509980801e2dca241301de10e1ea7 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.222 CN(CF)c1ncccc1Cl b14e32b3b8c866d3453ebaae21634ff0 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.222 CN(CF)c1ncccc1F 2ea695e72b78983fe102e299b389a42b [0,1,0,0,0,0|3,0,0]=4 329 B11R1.222 CN(CF)c1ncccc1I 669d05d850d9de1085ef5f892c66e923 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.222 CN(CO)c1ccccc1Cl 93c8a0a05d68ffe0b62289d5206a4d45 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.222 CN(CO)c1ccccc1F 37525b3659f76f6cb84994c550b2f6ca [0,1,0,0,0,0|2,0,0]=3 332 B11R1.222 CN(CO)c1cccnc1Br 340c9897d8b3c2114eef4e935f3c39fe [0,1,0,0,0,0|3,0,0]=4 333 B11R1.222 CN(CO)c1cccnc1Cl 947e3bedd93c807491120bbaac9423f9 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.222 CN(CO)c1cccnc1F cb868a01723c893ad09ec57cd87427ee [0,1,0,0,0,0|3,0,0]=4 335 B11R1.222 CN(CO)c1ccncc1Br d957936970de3674da875f34e85e36dd [0,1,0,0,0,0|3,0,0]=4 336 B11R1.222 CN(CO)c1ccncc1Cl 89bab2c997b2d4b436d08750c653c71a [0,1,0,0,0,0|3,0,0]=4 337 B11R1.222 CN(CO)c1ccncc1I c37c27b867e01e27306c7a974f89ce0a [0,1,0,0,0,0|3,0,0]=4 338 B11R1.222 CN(CO)c1cnccc1Cl 118f63190fa72552acbe59f19dcea564 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.222 CN(CO)c1cnccc1F f3601bf39d16035d778442bb8335e2f0 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.222 CN(CO)c1ncccc1Br 7fa7621f17505925459f6254b356f992 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.222 CN(CO)c1ncccc1Cl 9a1b052c513ea413c3430ed5a3bbed0d [0,1,0,0,0,0|3,0,0]=4 342 B11R1.222 CN(CO)c1ncccc1F 1831ba6dcc95c19ef2c552bb793305ec [0,1,0,0,0,0|3,0,0]=4 343 B11R1.222 CN(CO)c1ncccc1I bcd05541a56071ffd9029bf6afc6ebe4 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.222 Cc1ccccc1N(C)C=O 0cbd91f766c6614fd036ecf6c5c52ea2 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.222 Cc1ccccc1N(C)CF 151ec0fcc79157784dd7bc5d5aa488f4 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.222 Cc1ccccc1N(C)CO 360a66e6984b8285375a37f5a2a3ef94 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.222 Cc1cccnc1N(C)CF 6c6f510c5aa23c19d673269cd23c0192 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.222 Cc1cccnc1N(C)CO 1ca69ec5fd7fe0ef43893eca23a9c2af [0,1,0,0,0,0|3,0,0]=4 349 B11R1.222 Cc1ccncc1N(C)CF 5328569ab3c4550dc482307693b6ed12 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.222 Cc1ccncc1N(C)CO 3a13fb7fbb6b652e271886038778c016 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.222 Cc1ncccc1N(C)CF 454196da5ac185c13a6fe51bdca0ce20 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.222 Cc1ncccc1N(C)CO a6cff45c2e0229235d921297d1fe2795 [0,1,0,0,0,0|3,0,0]=4 353 B9R0.8 C=C/C=C/C(=O)N(C)CC ec3e555b40e82de44f5e5a3d078284ef [0,0,1,0,0,0|3,0,0]=4 354 B9R0.8 C=C/C=C\C(=O)N(C)CC 851984728626a978c34b494a58a8a489 [0,0,1,0,0,0|3,0,0]=4 355 B9R0.8 C=CC=CC(=O)N(C)CC f787229ea7ff1771d61092ded6fc9777 [0,0,1,0,0,0|3,0,0]=4 356 B9R1.11 CCN(C)c1ccsc1 9d7f231018bb5b4ffa353066f71ec39b [0,0,0,0,1,0|3,0,0]=4 357 B9R1.11 CN(CF)c1ccsc1 8d26dfd9676dc2c25e1ea84f82099c29 [0,0,0,0,1,0|3,0,0]=4 358 B9R1.11 CN(CO)c1ccsc1 0525eea34431aa8545e48856315746d1 [0,0,0,0,1,0|3,0,0]=4 359 B11R1.40 C#CC(C)Nc1cccnc1 cfbe38280031a5b1bea7126930aebd77 [0,0,0,0,0,1|2,0,1]=4 360 B11R1.40 C=CC(C)Nc1ccccc1 11c4f91eafeb8b3d7c22c97a0ea92d57 [0,0,0,0,0,1|1,0,1]=3 361 B11R1.40 C=CC(C)Nc1ccccn1 02b1b752c7d8a18090185a0c6f05b98f [0,0,0,0,0,1|2,0,1]=4 362 B11R1.40 C=CC(C)Nc1cccnc1 103a7e1883d7a333825583600980cdee [0,0,0,0,0,1|2,0,1]=4 363 B11R1.40 C=CC(C)Nc1ccncc1 c4fde850a7b9aca67a9b7913a57f482d [0,0,0,0,0,1|2,0,1]=4 364 B11R1.40 C=CC(C)Oc1ccccn1 2070ac1050b132c193a90ece39692aa1 [0,0,0,0,0,1|2,0,1]=4 365 B11R1.40 C=CC(C)Oc1cccnc1 d79b86e283fff567ebdcf80f360890ce [0,0,0,0,0,1|2,0,1]=4 366 B11R1.40 C=CC(C)Oc1ccncc1 079ad53e8dd52e53df82424bb261b798 [0,0,0,0,0,1|2,0,1]=4 367 B11R1.40 CC(C#N)Nc1cccnc1 da7dd839df2b3e32656f7151ae7c86a2 [0,0,0,0,0,1|1,0,2]=4 368 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [0,0,0,0,0,1|1,0,1]=3 369 B11R1.40 CC(C=O)Nc1ccccn1 f6323f482ea726d65853ab7cc1b45bb4 [0,0,0,0,0,1|2,0,1]=4 370 B11R1.40 CC(C=O)Nc1cccnc1 d9c7b2b4935781413d4a985313466b9b [0,0,0,0,0,1|2,0,1]=4 371 B11R1.40 CC(C=O)Nc1ccncc1 9d1dbf134f97c66b59956ef2739d0216 [0,0,0,0,0,1|2,0,1]=4 372 B11R1.40 CC(C=O)Oc1ccccn1 6964fdd9e0bc6b530d4dd7a3a2376b4c [0,0,0,0,0,1|2,0,1]=4 373 B11R1.40 CC(C=O)Oc1cccnc1 e37888c7c991d828e39da1a6807dceaa [0,0,0,0,0,1|2,0,1]=4 374 B11R1.40 CC(C=O)Oc1ccncc1 e75558d3547ed47505abf1a4004897c0 [0,0,0,0,0,1|2,0,1]=4 375 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [0,0,0,0,0,1|1,0,0]=2 376 B11R1.40 CC(CO)Nc1ccccn1 2e21620844440b7bb083395c24fa5d12 [0,0,0,0,0,1|2,0,0]=3 377 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,0,0,0,0,1|2,0,0]=3 378 B11R1.40 CC(CO)Nc1cccnn1 fb9d6dc59f436ead150c6d9d000776a9 [0,0,0,0,0,1|3,0,0]=4 379 B11R1.40 CC(CO)Nc1ccncc1 014df859a1aaecd67e68db71b7c7ef69 [0,0,0,0,0,1|2,0,0]=3 380 B11R1.40 CC(CO)Nc1ccncn1 17796906879bf0ae2e98e2bf5752eab1 [0,0,0,0,0,1|3,0,0]=4 381 B11R1.40 CC(CO)Nc1ccnnc1 a72883531d0bea58a80b868b64a69708 [0,0,0,0,0,1|3,0,0]=4 382 B11R1.40 CC(CO)Nc1cnccn1 bca12c198f8b3dcf3474883c473e477a [0,0,0,0,0,1|3,0,0]=4 383 B11R1.40 CC(CO)Nc1ncccn1 4d59a1eb8aab40cf3c337bc82e555d91 [0,0,0,0,0,1|3,0,0]=4 384 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,0,0,0,0,1|1,0,0]=2 385 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [0,0,0,0,0,1|2,0,0]=3 386 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [0,0,0,0,0,1|2,0,0]=3 387 B11R1.40 CCC(C)Nc1cccnn1 ff06696cf74f270fdba143978c62ac27 [0,0,0,0,0,1|3,0,0]=4 388 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [0,0,0,0,0,1|2,0,0]=3 389 B11R1.40 CCC(C)Nc1ccncn1 cdc50b843b9c714cbb9488ee87e2e9f4 [0,0,0,0,0,1|3,0,0]=4 390 B11R1.40 CCC(C)Nc1ccnnc1 b2cd78b0e4e493fc8fc7fd660daa28ea [0,0,0,0,0,1|3,0,0]=4 391 B11R1.40 CCC(C)Nc1cnccn1 218f39b97d2fc8b56d7c106256492dff [0,0,0,0,0,1|3,0,0]=4 392 B11R1.40 CCC(C)Nc1cncnc1 c613a4573f5f5c49698cbf707a287ecf [0,0,0,0,0,1|3,0,0]=4 393 B11R1.40 CCC(C)Nc1ncccn1 11b2ce1094fd36a470194aa0ea19a19c [0,0,0,0,0,1|3,0,0]=4 394 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [0,0,0,0,0,1|2,0,0]=3 395 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,0,0,0,0,1|2,0,0]=3 396 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [0,0,0,0,0,1|2,0,0]=3 397 B11R1.40 CCC(C)Oc1ccnnc1 2c1374a060c2205ba338192573bcdf4f [0,0,0,0,0,1|3,0,0]=4 398 B11R1.40 CCC(C)Oc1cnccn1 259d43a94fcc1396cf4ed5279619bad5 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.40 CCC(C)Oc1cncnc1 1927eda9da52994d7329db955284990c [0,0,0,0,0,1|3,0,0]=4 400 B11R1.40 CCC(C)Oc1ncccn1 2c3f480730b3d8e77d38029021131efd [0,0,0,0,0,1|3,0,0]=4 401 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,0,0,0,0,1|2,0,0]=3 402 B11R1.40 CCN(C)Cc1ccccn1 e347cf6623c9ce49a1c94570b5d3844c [0,0,0,0,0,1|3,0,0]=4 403 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [0,0,0,0,0,1|3,0,0]=4 404 B11R1.40 CCN(C)Cc1ccncc1 ebfb44d53a95f23536771c3c1b41adfd [0,0,0,0,0,1|3,0,0]=4 405 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,0,0,0,0,1|1,0,0]=2 406 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [0,0,0,0,0,1|2,0,0]=3 407 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,0,0,0,0,1|1,0,0]=2 408 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [0,0,0,0,0,1|2,0,0]=3 409 B11R1.40 CN(C=O)Cc1ccccc1 701ed8237afa851586621908f176512f [0,0,0,0,0,1|2,0,1]=4 410 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [0,0,0,0,0,1|2,0,0]=3 411 B11R1.40 CN(CF)Cc1ccccn1 0fb6d4fca1ae3b36d4aab61bd5289947 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.40 CN(CF)Cc1cccnc1 da4d9171379b3361244699d43a3a0472 [0,0,0,0,0,1|3,0,0]=4 413 B11R1.40 CN(CF)Cc1ccncc1 81b0e7813544135aff8022710b2af4c1 [0,0,0,0,0,1|3,0,0]=4 414 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [0,0,0,0,0,1|2,0,0]=3 415 B11R1.40 CN(CO)Cc1ccccn1 a4ef6b4247ef0972f7871752389806bb [0,0,0,0,0,1|3,0,0]=4 416 B11R1.40 CN(CO)Cc1cccnc1 bdae5dd3c0107b4a15ddef98331c4b4c [0,0,0,0,0,1|3,0,0]=4 417 B11R1.40 CN(CO)Cc1ccncc1 82d474736717cd4ad3b664282e77f89c [0,0,0,0,0,1|3,0,0]=4 418 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [0,0,0,0,0,1|1,0,0]=2 419 B11R1.40 C[C@@H](CO)Nc1ccccn1 9ac7427612f5553e5180ee81712e35fd [0,0,0,0,0,1|2,0,0]=3 420 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,0,0,0,0,1|2,0,0]=3 421 B11R1.40 C[C@@H](CO)Nc1cccnn1 9f042c1373662f7bcf04444b6615ba81 [0,0,0,0,0,1|3,0,0]=4 422 B11R1.40 C[C@@H](CO)Nc1ccncc1 495de922b28b07b689b24b08a715b1b6 [0,0,0,0,0,1|2,0,0]=3 423 B11R1.40 C[C@@H](CO)Nc1ccncn1 f1c1e7e380ed6f20077393c2ea15133a [0,0,0,0,0,1|3,0,0]=4 424 B11R1.40 C[C@@H](CO)Nc1ccnnc1 315cca37f2c47b9fb75c2b878b513097 [0,0,0,0,0,1|3,0,0]=4 425 B11R1.40 C[C@@H](CO)Nc1cnccn1 54f606e098d7069b6301fbd7ff24023c [0,0,0,0,0,1|3,0,0]=4 426 B11R1.40 C[C@@H](CO)Nc1ncccn1 988a0651b7d8579b146b11e4192aa15f [0,0,0,0,0,1|3,0,0]=4 427 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [0,0,0,0,0,1|1,0,1]=3 428 B11R1.40 C[C@H](C=O)Nc1ccccn1 46e94b05d4e4c715a9e5400c929646b9 [0,0,0,0,0,1|2,0,1]=4 429 B11R1.40 C[C@H](C=O)Nc1cccnc1 fedeaeec69f602e704c38cd1adea1d8e [0,0,0,0,0,1|2,0,1]=4 430 B11R1.40 C[C@H](C=O)Nc1ccncc1 2f11c12f5ae2a4a34554194fcc005f15 [0,0,0,0,0,1|2,0,1]=4 431 B11R1.40 C[C@H](C=O)Oc1ccccn1 0be2b7848388ea049450b4a9fa6678e7 [0,0,0,0,0,1|2,0,1]=4 432 B11R1.40 C[C@H](C=O)Oc1cccnc1 55db0365e7488258d11fe983dbcaf255 [0,0,0,0,0,1|2,0,1]=4 433 B11R1.40 C[C@H](C=O)Oc1ccncc1 0569f754c55d1898e8e0bee53c4f5433 [0,0,0,0,0,1|2,0,1]=4 434 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [0,0,0,0,0,1|1,0,0]=2 435 B11R1.40 C[C@H](CO)Nc1ccccn1 01d2d5e2403842048f8ac810f41680f1 [0,0,0,0,0,1|2,0,0]=3 436 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,0,0,0,0,1|2,0,0]=3 437 B11R1.40 C[C@H](CO)Nc1cccnn1 d9e3b155afcba651747dae7b699586f7 [0,0,0,0,0,1|3,0,0]=4 438 B11R1.40 C[C@H](CO)Nc1ccncc1 12aec410035ef0ee1b8933a8e56e1a8b [0,0,0,0,0,1|2,0,0]=3 439 B11R1.40 C[C@H](CO)Nc1ccncn1 954fbcce3b9b09c9016cc6cd2015a51e [0,0,0,0,0,1|3,0,0]=4 440 B11R1.40 C[C@H](CO)Nc1ccnnc1 3563e889d7f294b8bea1b38e886331c4 [0,0,0,0,0,1|3,0,0]=4 441 B11R1.40 C[C@H](CO)Nc1cnccn1 ad67c5623bc833af0ed62e39411a7055 [0,0,0,0,0,1|3,0,0]=4 442 B11R1.40 C[C@H](CO)Nc1ncccn1 96711dc91f089457a6603118d153ab8c [0,0,0,0,0,1|3,0,0]=4 443 B10R0.18 C=C/C=C/C(=O)NC(C)CC f7929a6f188b8b0b87e78ad5b9b6db05 [0,1,1,0,0,0|2,0,0]=4 444 B10R0.18 C=C/C=C/C(=O)NC(C)CO 71b3fb1eba3886a8772e91c4741e895f [0,1,1,0,0,0|2,0,0]=4 445 B10R0.18 C=C/C=C/C(=O)N[C@@H](C)CC 677627fd6e113406be86334259255312 [0,1,1,0,0,0|2,0,0]=4 446 B10R0.18 C=C/C=C/C(=O)N[C@@H](C)CO 750a0c06d9553b6b9cbc0b4b778eee81 [0,1,1,0,0,0|2,0,0]=4 447 B10R0.18 C=C/C=C/C(=O)N[C@H](C)CC fd7352e1618c6c30c92fb832128b37f8 [0,1,1,0,0,0|2,0,0]=4 448 B10R0.18 C=C/C=C/C(=O)N[C@H](C)CO 70bc13920c5c6b3b335ef7f8949365eb [0,1,1,0,0,0|2,0,0]=4 449 B10R0.18 C=C/C=C\C(=O)NC(C)CC abb6e6ba56b03eccd78540b41633f63a [0,1,1,0,0,0|2,0,0]=4 450 B10R0.18 C=C/C=C\C(=O)NC(C)CO 8e693ba09cd7100b887b6dd9e9476638 [0,1,1,0,0,0|2,0,0]=4 451 B10R0.18 C=C/C=C\C(=O)N[C@@H](C)CC fe07a6299cdd4599d8010c083c580eec [0,1,1,0,0,0|2,0,0]=4 452 B10R0.18 C=C/C=C\C(=O)N[C@@H](C)CO 3ea0365a52c7af13891058596e4727d5 [0,1,1,0,0,0|2,0,0]=4 453 B10R0.18 C=C/C=C\C(=O)N[C@H](C)CC 54afe1e4d1a7dc74f6ca4a5c5ec6fc32 [0,1,1,0,0,0|2,0,0]=4 454 B10R0.18 C=C/C=C\C(=O)N[C@H](C)CO 1122fe1be6c9e40038ea3b75c2c1d843 [0,1,1,0,0,0|2,0,0]=4 455 B10R0.18 C=CC=CC(=O)NC(C)CC eaa6f791176d36dce23515637c416706 [0,1,1,0,0,0|2,0,0]=4 456 B10R0.18 C=CC=CC(=O)NC(C)CO 0439602b84c5f914ffd3481573ead334 [0,1,1,0,0,0|2,0,0]=4 457 B10R0.18 C=CC=CC(=O)N[C@@H](C)CC 52594acbdd583ca757ce6c003e947412 [0,1,1,0,0,0|2,0,0]=4 458 B10R0.18 C=CC=CC(=O)N[C@@H](C)CO ef5febfdb9edfd35bc008191ad8b5be8 [0,1,1,0,0,0|2,0,0]=4 459 B10R0.18 C=CC=CC(=O)N[C@H](C)CC 9bbe7467ddaebdcd48b827ccba4ff8e6 [0,1,1,0,0,0|2,0,0]=4 460 B10R0.18 C=CC=CC(=O)N[C@H](C)CO c1f8e8aa5885ea9985cac21ce3e208bc [0,1,1,0,0,0|2,0,0]=4 461 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,1,0,0,0,0|2,0,0]=4 465 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,1,0,0,0,0|2,0,0]=4 466 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,1,0,0,0,0|2,0,0]=4 469 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,1,0,0,0,0|2,0,0]=4 471 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,1,0,0,0,0|2,0,0]=4 472 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,1,0,0,0,0|2,0,0]=4 476 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [1,1,0,0,0,0|2,0,0]=4 479 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [1,1,0,0,0,0|2,0,0]=4 481 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,1,0,0,0,0|2,0,0]=4 483 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,1,0,0,0,0|2,0,0]=4 484 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,1,0,0,0,0|2,0,0]=4 486 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,1,0,0,0,0|2,0,0]=4 487 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,1,0,0,0,0|2,0,0]=4 490 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [1,1,0,0,0,0|2,0,0]=4 494 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [1,1,0,0,0,0|2,0,0]=4 496 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [1,1,0,0,0,0|2,0,0]=4 497 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [1,1,0,0,0,0|2,0,0]=4 498 B10R1.4 Cc1ccccc1OCF 8baad2379a58970c56de2a8d01203209 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.4 FCNc1ccccc1Cl d9b123aca09542405b035cbfc7a3c90b [1,1,0,0,0,0|2,0,0]=4 500 B10R1.4 FCNc1ccccc1F 0a7d0fadca34184ec755df42efe17064 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.4 FCNc1ccccc1I 5959339ca8fbd24d83e04ddfbe0e0157 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.4 FCNc1ccccc1S d634255285ab47bb94c2bca0b3757d2a [1,1,0,0,0,0|2,0,0]=4 503 B10R1.4 FCOc1ccccc1Cl a5299ee9d2e64e316b2aa5d3a27153e6 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.4 FCOc1ccccc1F 5806cc0111f0c8f01c1e2cf9018d81c2 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.4 FCOc1ccccc1I decd9faac1634980fd9c104b6a434168 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.4 OCNc1ccccc1I 10ade089d4f881d90e5208c43f98902f [1,1,0,0,0,0|2,0,0]=4 507 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [1,1,0,0,0,0|2,0,0]=4 508 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [1,1,0,0,0,0|2,0,0]=4 509 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [1,1,0,0,0,0|2,0,0]=4 510 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [1,1,0,0,0,0|2,0,0]=4 513 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [1,1,0,0,0,0|2,0,0]=4 516 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [1,1,0,0,0,0|2,0,0]=4 518 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [1,1,0,0,0,0|2,0,0]=4 519 B10R1.10 Cc1cccc(c1)NCF f51cf3458817b85dd255a9237b903e6d [1,1,0,0,0,0|2,0,0]=4 520 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [1,1,0,0,0,0|2,0,0]=4 521 B10R1.10 Cc1cccc(c1)OCF 44a22e926d5d6090dde9bff2fda50b6b [1,1,0,0,0,0|2,0,0]=4 522 B10R1.10 FCNc1cccc(c1)Br c9704cbdbb1fdbdf56d8ebff639cbd91 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.10 FCNc1cccc(c1)Cl b872f9905f1be884c21a425e188a3799 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.10 FCNc1cccc(c1)F 7d4f26ca413cdb267cd9918eadc7e27c [1,1,0,0,0,0|2,0,0]=4 525 B10R1.10 FCNc1cccc(c1)I e0561328f6c898e6107a8b27b3024339 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.10 FCNc1cccc(c1)S 086bce0acd48689019a74b3e6fa25e44 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.10 FCOc1cccc(c1)Br 80d2510913f89b70a700b0a85c7b5f8c [1,1,0,0,0,0|2,0,0]=4 528 B10R1.10 FCOc1cccc(c1)Cl 923cd2deba2a91f957f577166c83db17 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.10 FCOc1cccc(c1)F 32af0f234c8dc4ce890ff812ba75b297 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.10 FCOc1cccc(c1)I 162f72df4c690124de0a310faac4bb60 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.10 FCOc1cccc(c1)S 89704a073d3d1c53c665a8dc23513f21 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [1,1,0,0,0,0|2,0,0]=4 533 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [1,1,0,0,0,0|2,0,0]=4 534 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.17 BrCCNc1ccccn1 3e3884def368abe14a8394ce1a1093e4 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.17 BrCCNc1cccnc1 2d13be8c88ebb7269676c6abc03a383d [1,1,0,0,0,0|2,0,0]=4 540 B10R1.17 BrCCNc1ccncc1 aa3f433af4f4f2183977f3124b404d50 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.17 CCCNc1ccccn1 d0e3424364e1c8a55b80e6e83d3696ba [1,1,0,0,0,0|2,0,0]=4 545 B10R1.17 CCCNc1cccnc1 54f0ece250e78709faf1eb2fd4dc869b [1,1,0,0,0,0|2,0,0]=4 546 B10R1.17 CCCNc1ccncc1 d6095b2a5c05617a6cec49b81fb053c5 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.17 CCCOc1ccccn1 6e04423b9fd777130a88eaa9fd38fe0c [1,1,0,0,0,0|2,0,0]=4 548 B10R1.17 CCCOc1cccnc1 a97f517fc793a805aaab3ac7468bbd26 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.17 CCCOc1ccncc1 f349ca52270425380eacc7a2a158cca4 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.17 CCNCc1ccccn1 18cfef8413e038075fdfe85720c8bb60 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.17 CCNCc1ccncc1 2e26d8de78e71e06bcd28df387653244 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,1,0,0,0,0|1,0,0]=3 555 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [1,1,0,0,0,0|2,0,0]=4 556 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [1,1,0,0,0,0|2,0,0]=4 560 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.17 FCCNc1ccccn1 6ab197fb6cbd8dea7ad6d85c80356b58 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.17 FCCNc1cccnc1 948881de1f8cebdb00d3305a89cccf21 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.17 FCCNc1ccncc1 261e26a80d82936049687c2cbf67d868 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.17 FCCOc1ccccn1 06b65dfb48082d4779fc37c34dadb476 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.17 FCCOc1cccnc1 7a88b89adbe5c70a007fa3204bf675ab [1,1,0,0,0,0|2,0,0]=4 566 B10R1.17 FCCOc1ccncc1 7674fd5219d4fad9f3b2390ff6ade4b7 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [1,1,0,0,0,0|1,0,0]=3 568 B10R1.17 FCNCc1ccccn1 14327276004818c05fc55a3ce987673c [1,1,0,0,0,0|2,0,0]=4 569 B10R1.17 FCNCc1cccnc1 303a68c3e72902076a5285aac654492a [1,1,0,0,0,0|2,0,0]=4 570 B10R1.17 FCNCc1ccncc1 f86a74e0d1d92929ce958fb624476f4c [1,1,0,0,0,0|2,0,0]=4 571 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,1,0,0,0,0|1,0,0]=3 572 B10R1.17 FCOCc1ccccn1 52de5aacdb8cde16edb0cbea31183c40 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.17 FCOCc1cccnc1 d58467b55ec7fcb175961d4ef6210edb [1,1,0,0,0,0|2,0,0]=4 574 B10R1.17 FCOCc1ccncc1 90104d817a6745d762aa8ebc5bd6efa2 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.17 ICCNc1cccnc1 bd2873fb4e8705ac6b2391510b61aca0 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [1,1,0,0,0,0|0,0,2]=4 578 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [1,1,0,0,0,0|0,0,2]=4 579 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [1,1,0,0,0,0|1,0,1]=4 581 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,1,0,0,0,0|1,0,0]=3 582 B10R1.17 OCCNc1ccccn1 14d1f9671b0391e7cf5b318b74673aa8 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.17 OCCNc1cccnc1 528072d5adbbf320415662e70c05db36 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.17 OCCNc1ccncc1 2d153fc0224e0960cc8e262d108ccf9f [1,1,0,0,0,0|2,0,0]=4 585 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.17 OCNCc1ccccn1 9488b9a65408dc593594baac432012ff [1,1,0,0,0,0|2,0,0]=4 587 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.17 OCNCc1ccncc1 31d693e5cbaa1006fa13d8924b3493eb [1,1,0,0,0,0|2,0,0]=4 589 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [1,1,0,0,0,0|1,0,0]=3 590 B10R1.17 SCCNc1ccccn1 de2447df01f4514b4267a28db291424f [1,1,0,0,0,0|2,0,0]=4 591 B10R1.17 SCCNc1cccnc1 d7661b93dffeb3e5de5eb3930ee71345 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.17 SCCNc1ccncc1 577353449c24c89c4540584279fd2c55 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.17 SCCOc1ccccn1 80884e7103538d273738856f1f9d4222 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.17 SCCOc1cccnc1 84b759d60311f3e5695c1f1ffc5005e0 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.17 SCCOc1ccncc1 bcb2c22e459aa7ecd2660e818a75429e [1,1,0,0,0,0|2,0,0]=4 596 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [1,1,0,0,0,0|2,0,0]=4 597 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [0,1,0,0,1,0|2,0,0]=4 598 B10R1.11 CC(NCF)c1cccs1 538db975b17beb16d09c569873cd1017 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.11 CC(NCF)c1ccoc1 24f4495ae7b84bf3e81bf715ae4a6f30 [0,1,0,0,1,0|2,0,0]=4 600 B10R1.11 CC(NCF)c1ccsc1 82a12347fe817c9954ad69dc6889c20b [0,1,0,0,1,0|2,0,0]=4 601 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [0,1,0,0,1,0|2,0,0]=4 602 B10R1.11 CC(NCO)c1cccs1 57f1df017ba61f98516629346c2ff8bc [0,1,0,0,1,0|2,0,0]=4 603 B10R1.11 CC(NCO)c1ccoc1 66a7792dbb080076fcfa4132d4649f7a [0,1,0,0,1,0|2,0,0]=4 604 B10R1.11 CC(NCO)c1ccsc1 7ca094de61a6ebe4b467e6f765526a6e [0,1,0,0,1,0|2,0,0]=4 605 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.11 CC(OCF)c1cccs1 5b9b19dbade8c35451c1c58ea48ca5f8 [0,1,0,0,1,0|2,0,0]=4 607 B10R1.11 CC(OCF)c1ccoc1 f2d8b89af5384f689359e1fe9c47d22e [0,1,0,0,1,0|2,0,0]=4 608 B10R1.11 CC(OCF)c1ccsc1 b05308d5596bd41a729e9c3f3904ff88 [0,1,0,0,1,0|2,0,0]=4 609 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,1,0,0,1,0|2,0,0]=4 610 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [0,1,0,0,1,0|2,0,0]=4 611 B10R1.11 CCNC(C)c1ccoc1 51f91e7819ff70ad589a19783d2d1e7f [0,1,0,0,1,0|2,0,0]=4 612 B10R1.11 CCNC(C)c1ccsc1 da7e9bdf27e108bf068594aa9e1ae5c7 [0,1,0,0,1,0|2,0,0]=4 613 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [0,1,0,0,1,0|2,0,0]=4 614 B10R1.11 CCN[C@@H](C)c1ccoc1 75425dbf96352882f156e81d62516f84 [0,1,0,0,1,0|2,0,0]=4 615 B10R1.11 CCN[C@@H](C)c1ccsc1 ecd13388917411273807ea58bccd8785 [0,1,0,0,1,0|2,0,0]=4 616 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,1,0,0,1,0|2,0,0]=4 617 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [0,1,0,0,1,0|2,0,0]=4 618 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,1,0,0,1,0|2,0,0]=4 619 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [0,1,0,0,1,0|2,0,0]=4 620 B10R1.11 CCOC(C)c1ccoc1 b62fd210eab0f455e78a5ca427ee9550 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.11 CCOC(C)c1ccsc1 5d15722a3738ca4ca2fd2a1a16b34eaf [0,1,0,0,1,0|2,0,0]=4 622 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [0,1,0,0,1,0|2,0,0]=4 623 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,1,0,0,1,0|2,0,0]=4 624 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [0,1,0,0,1,0|2,0,0]=4 625 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [0,1,0,0,1,0|2,0,0]=4 626 B10R1.11 C[C@@H](NCF)c1cccs1 1c720c02f6baa0f5262fb0f2cb2f15eb [0,1,0,0,1,0|2,0,0]=4 627 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.11 C[C@@H](NCO)c1cccs1 d8a308363d883f0d052036fc489c8b20 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.11 C[C@@H](OCF)c1cccs1 bcd98948f5e8dc8098aaeb4e37474db9 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.11 C[C@H](NCF)c1cccs1 ac6bf8c5071a01ff5d1c8c419011645d [0,1,0,0,1,0|2,0,0]=4 632 B10R1.11 C[C@H](NCF)c1ccoc1 d5e07d253af578bf077fb448869ed03b [0,1,0,0,1,0|2,0,0]=4 633 B10R1.11 C[C@H](NCF)c1ccsc1 ad0d59ab27b02f84c24c789ccb890136 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.11 C[C@H](NCO)c1cccs1 6e24574b17ea4cff857ea41b549a952c [0,1,0,0,1,0|2,0,0]=4 635 B10R1.11 C[C@H](NCO)c1ccoc1 318928d6ca97dc12d4ced0438597e8cb [0,1,0,0,1,0|2,0,0]=4 636 B10R1.11 C[C@H](NCO)c1ccsc1 3ccce1869e969f1cb106df8a99200c89 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.11 C[C@H](OCF)c1cccs1 eb659903705b1dadf6a4c506eb098d02 [0,1,0,0,1,0|2,0,0]=4 638 B12R1.32 C#CCN(C)Cc1ccccc1 e56580931f8cdab6398e6e077f7d4a03 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.32 C=CCN(C)Cc1ccccc1 f858c6ed41b995ef747d3394b7bc7ac3 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.32 CC(CC#N)Nc1ccccc1 9d497ef86eee6b3cf19732b73151dfc5 [0,1,0,0,0,1|0,0,1]=3 641 B12R1.32 CC(CC#N)Nc1ccccn1 c0975d61d9d4bf949e198e459316e5ac [0,1,0,0,0,1|1,0,1]=4 642 B12R1.32 CC(CC#N)Nc1cccnc1 85e1a1944bb090848679d4a1ae0ed26c [0,1,0,0,0,1|1,0,1]=4 643 B12R1.32 CC(CC#N)Nc1ccncc1 c07d4ea4065fe94b77936f09606cb343 [0,1,0,0,0,1|1,0,1]=4 644 B12R1.32 CC(CC#N)Oc1ccccn1 fe6032779d6cdf64ba95d6c8168ddd56 [0,1,0,0,0,1|1,0,1]=4 645 B12R1.32 CC(CC#N)Oc1cccnc1 a300d4d03a3b3651e671d8cc577bbfa0 [0,1,0,0,0,1|1,0,1]=4 646 B12R1.32 CC(CC#N)Oc1ccncc1 735080172ac3c65b282aff4b4823efd5 [0,1,0,0,0,1|1,0,1]=4 647 B12R1.32 CC(CCO)Nc1ccccc1 9bf70c52b6fbdda0acbad0fbf8bda5d0 [0,1,0,0,0,1|1,0,0]=3 648 B12R1.32 CC(CCO)Nc1cccnc1 c7b8a995c73abbf3a7b86a5a39f02f1b [0,1,0,0,0,1|2,0,0]=4 649 B12R1.32 CC(CCO)Nc1ccncc1 e7559995cfc95ed911e5a498afe30c74 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.32 CC(Cc1ccccn1)NCF d5fdd6b98c347b6317b5d0d8cf3c28b6 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.32 CC(Cc1ccccn1)NCO eb641c414d0b15108bf9321647b7890c [0,1,0,0,0,1|2,0,0]=4 652 B12R1.32 CC(Cc1ccccn1)OCF d6c424851ea201f763a1418247a6eb34 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.32 CC(Cc1cccnc1)NCF 0a8331e6b65f8d98e5c22c4682170fe6 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.32 CC(Cc1cccnc1)NCO 2d1e9d214ab4e58b5282fe30111314e4 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.32 CC(Cc1ccncc1)NCF 552d22a85f958469339986039ae7dce3 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.32 CC(Cc1ccncc1)NCO def23991f96c3f6436149b61afb90490 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [0,1,0,0,0,1|1,0,0]=3 658 B12R1.32 CCCC(C)Nc1ccccn1 2669f8567b938ac2a918e85bd69bb770 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.32 CCCC(C)Nc1cccnc1 af2a7472e895c61981327f4b8de00ee9 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.32 CCCC(C)Nc1ccncc1 bc7c26623f29f55d18fe6bfa5e660a5e [0,1,0,0,0,1|2,0,0]=4 661 B12R1.32 CCCC(C)Oc1ccccn1 f14a322e30e4491e36792a6fd64a30e7 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.32 CCCC(C)Oc1cccnc1 16283b7b4266224a92efdc8338a94776 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.32 CCCC(C)Oc1ccncc1 b9d7beb71b6c3dd797277820c00f9552 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.32 CCCN(C)Cc1ccccc1 4eed5f3692a34dc05deac3e14f757f4f [0,1,0,0,0,1|2,0,0]=4 665 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [0,1,0,0,0,1|1,0,0]=3 666 B12R1.32 CCNC(C)Cc1ccccn1 3f739570fdaf944ffb41444c69149a83 [0,1,0,0,0,1|2,0,0]=4 667 B12R1.32 CCNC(C)Cc1cccnc1 1c73ce06501092b14624237b8eaa830e [0,1,0,0,0,1|2,0,0]=4 668 B12R1.32 CCNC(C)Cc1ccncc1 1ac39eab33f6c8633237d01993a17382 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,1,0,0,0,1|1,0,0]=3 670 B12R1.32 CCOC(C)Cc1ccccn1 144eae020541eabb52d7b3534ceef0a4 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,1,0,0,0,1|1,0,0]=3 672 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,1,0,0,0,1|1,0,0]=3 673 B12R1.32 CN(CC#N)Cc1ccccc1 5c32846a8b8f40e8ba55bc3d3a77884c [0,1,0,0,0,1|1,0,1]=4 674 B12R1.32 CN(CC=O)Cc1ccccc1 7580b9a13b83ef7e7f2ffe8dfb9a649a [0,1,0,0,0,1|2,0,0]=4 675 B12R1.32 CN(CCF)Cc1ccccc1 c2bce3f6897fd6361961da43db186c6c [0,1,0,0,0,1|2,0,0]=4 676 B12R1.32 CN(CCO)Cc1ccccc1 757bf36fdf4b02517da3241e86467be6 [0,1,0,0,0,1|2,0,0]=4 677 B12R1.32 CN(CCS)Cc1ccccc1 8e8f744accb260bbf35bc2715f513a4e [0,1,0,0,0,1|2,0,0]=4 678 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [0,1,0,0,0,1|1,0,0]=3 679 B12R1.32 COCC(C)Nc1ccccn1 b87c4274a798014c5caa22801a140abd [0,1,0,0,0,1|2,0,0]=4 680 B12R1.32 COCC(C)Nc1cccnc1 b812752e64d8737319fd6f3db07b6bc1 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.32 COCC(C)Nc1ccncc1 33b554ac3febbeb05911740b59f936a4 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.32 COCC(C)Oc1ccccn1 668fa5e1f0515f975b72eaca09bba005 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.32 COCC(C)Oc1cccnc1 e8657e7fea231a3cbb0976e5d4a5b3d8 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.32 COCC(C)Oc1ccncc1 971ee2e47f6b711ed0fcda630805e921 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.32 COCN(C)Cc1ccccc1 4d05c3d6ddf3ecec9a6b681c1068023b [0,1,0,0,0,1|2,0,0]=4 686 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [0,1,0,0,0,1|1,0,0]=3 687 B12R1.32 COC[C@@H](C)Nc1cccnc1 516207c81acf2dd1d4472d7b45572390 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [0,1,0,0,0,1|1,0,0]=3 689 B12R1.32 COC[C@H](C)Nc1cccnc1 0cec544e296a1ace9f6fb9794ec8ae21 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.32 CSCN(C)Cc1ccccc1 d9791fc92d257d5436d9d59fe9a2c04e [0,1,0,0,0,1|2,0,0]=4 691 B12R1.32 C[C@@H](CCO)Nc1ccccc1 fc83b26b05d5bb1e6a4de978429a6aa3 [0,1,0,0,0,1|1,0,0]=3 692 B12R1.32 C[C@@H](CCO)Nc1cccnc1 c87bea4e8a4cfebb37b775d259b404cc [0,1,0,0,0,1|2,0,0]=4 693 B12R1.32 C[C@H](CCO)Nc1ccccc1 83604672ebfdf7df8b733c8cb4f2aa8a [0,1,0,0,0,1|1,0,0]=3 694 B12R1.32 C[C@H](CCO)Nc1cccnc1 ea70f12899bf83773b62a2d4a165c5b7 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.32 NOCC(=O)Nc1ccccc1 c5d51d2b3f28976c6bd3c98cfe9f6a86 [0,1,0,0,0,1|1,0,1]=4 696 B12R1.34 C=CC(C)N(C)c1ccccc1 867a73c44cbcf2d99abc1ebb4318c0f8 [0,1,0,0,0,1|1,0,1]=4 697 B12R1.34 CC(C=O)N(C)c1ccccc1 f5d6d04ee745621ff9b8dd29884dcf19 [0,1,0,0,0,1|1,0,1]=4 698 B12R1.34 CC(CO)N(C)c1ccccc1 a7ee7abf471efad76d65ff005aacf1dd [0,1,0,0,0,1|1,0,0]=3 699 B12R1.34 CC(CO)N(C)c1cccnc1 7fab529fa88240be5b7c65c3182910e1 [0,1,0,0,0,1|2,0,0]=4 700 B12R1.34 CC(CO)N(C)c1ccncc1 18977910eec3c1bbadd3eb21abf44651 [0,1,0,0,0,1|2,0,0]=4 701 B12R1.34 CCC(C)N(C)c1cccnc1 707e066f5f77e29216e51fa77aa6ca79 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.34 CCC(C)N(C)c1ccncc1 628de20d8e2aadb9b61c93e1ee94b466 [0,1,0,0,0,1|2,0,0]=4 703 B12R1.34 CCN(C)C(=O)c1ccccc1 ec42892db6b620c971271a983914a3d4 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.34 C[C@@H](CO)N(C)c1ccccc1 96b24e6691fa0d3459c276c6ca2c2615 [0,1,0,0,0,1|1,0,0]=3 705 B12R1.34 C[C@@H](CO)N(C)c1cccnc1 b1c6c5f782ac21b7f9a8a54582e4c438 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.34 C[C@H](C=O)N(C)c1ccccc1 18aecb36d80866d7598cb9bc61f9cefb [0,1,0,0,0,1|1,0,1]=4 707 B12R1.34 C[C@H](CO)N(C)c1ccccc1 a37c707a1c025793f08fdf6588fbc88b [0,1,0,0,0,1|1,0,0]=3 708 B12R1.34 C[C@H](CO)N(C)c1cccnc1 0aa06d0f54ef124a8bab95122479b46c [0,1,0,0,0,1|2,0,0]=4 709 B12R1.43 CC(=O)C(C)Nc1ccccc1 a5a89e613210df479342158a0b1bf72b [0,1,0,0,0,1|1,0,1]=4 710 B12R1.43 CC(C)C(C)Nc1ccccc1 48093fab6ce2f9bea5eaf7557d6a555a [0,1,0,0,0,1|1,0,0]=3 711 B12R1.43 CC(C)C(C)Nc1ccccn1 56417f300787c21b824e0c0aa0c41aee [0,1,0,0,0,1|2,0,0]=4 712 B12R1.43 CC(C)C(C)Nc1cccnc1 d9c105ac720d93c173804a1a7215f55a [0,1,0,0,0,1|2,0,0]=4 713 B12R1.43 CC(C)C(C)Nc1ccncc1 f569432198f25ecd4f5fab536aa2585a [0,1,0,0,0,1|2,0,0]=4 714 B12R1.43 CC(C)C(C)Oc1ccccn1 0d1f1b8bafc8f4ae0cafc9a3a285e8fd [0,1,0,0,0,1|2,0,0]=4 715 B12R1.43 CC(C)C(C)Oc1cccnc1 7dd98d846884613a0fa0dacf726d609e [0,1,0,0,0,1|2,0,0]=4 716 B12R1.43 CC(C)C(C)Oc1ccncc1 e9f09d2447e1596ae903cb10648aeae2 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.43 CC(C)N(C)Cc1ccccc1 d5edd43e495581ab07d4c878cf7efc6a [0,1,0,0,0,1|2,0,0]=4 718 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 638de983f09ad8573a19e829866f679b [0,1,0,0,0,1|1,0,0]=3 719 B12R1.43 CC(C)[C@@H](C)Nc1cccnc1 8cc5cb560100920359a30d0b936931d0 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 37a4cc2968d8598e2dd44bb0f3ee65d4 [0,1,0,0,0,1|1,0,0]=3 721 B12R1.43 CC(C)[C@H](C)Nc1cccnc1 a0486500948362bfb0f4d9c857b8c881 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.43 CC(Nc1ccccc1)C(=O)N a13620d692f52ceee273ee15e9b75ad1 [0,1,0,0,0,1|0,0,1]=3 723 B12R1.43 CC(Nc1ccccn1)C(=O)N f83bf2ff7dcfd3b110f9f3b0a97115db [0,1,0,0,0,1|1,0,1]=4 724 B12R1.43 CC(Nc1cccnc1)C(=O)N d63e56dbb828c942fcfc8fb45d074de3 [0,1,0,0,0,1|1,0,1]=4 725 B12R1.43 CC(Nc1ccncc1)C(=O)N ba90507220ccfe6fc756bda09ed3e108 [0,1,0,0,0,1|1,0,1]=4 726 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [0,1,0,0,0,1|1,0,0]=3 727 B12R1.43 CC(O)C(C)Nc1cccnc1 16f61952065d032141860c15b03f12c0 [0,1,0,0,0,1|2,0,0]=4 728 B12R1.43 CC(Oc1ccccn1)C(=O)N 1624b15c09b35f1a52e54d4f07893733 [0,1,0,0,0,1|1,0,1]=4 729 B12R1.43 CC(Oc1cccnc1)C(=O)N c93ec9cffe861f7d5419e273b281c733 [0,1,0,0,0,1|1,0,1]=4 730 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)N a6160bd3305aa260e6d958f111f59293 [0,1,0,0,0,1|0,0,1]=3 731 B12R1.43 C[C@@H](Nc1ccccc1)C(F)F 0725725b1a04a0d41d2316c9b2ed73b0 [0,1,0,0,0,1|1,0,0]=3 732 B12R1.43 C[C@@H](Nc1cccnc1)C(=O)N a37c586a2b9dbf1de69a084cd0cef09c [0,1,0,0,0,1|1,0,1]=4 733 B12R1.43 C[C@@H](Nc1cccnc1)C(F)F 9f055549f7a1b8602a4aa87678ade496 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.43 C[C@@H](Nc1ccncc1)C(=O)N 1f374cd009e907959e7de09765803968 [0,1,0,0,0,1|1,0,1]=4 735 B12R1.43 C[C@H](Nc1ccccc1)C(=O)N 52675762c748ff349487a045ecd2d147 [0,1,0,0,0,1|0,0,1]=3 736 B12R1.43 C[C@H](Nc1ccccc1)C(F)F 14231ae717c62ec767200c948d4825fd [0,1,0,0,0,1|1,0,0]=3 737 B12R1.43 C[C@H](Nc1cccnc1)C(=O)N cffa85eeee0554dd18a262517da3feb0 [0,1,0,0,0,1|1,0,1]=4 738 B12R1.43 C[C@H](Nc1cccnc1)C(F)F 634e78ba16a8b1f2eb21096e468bb1d8 [0,1,0,0,0,1|2,0,0]=4 739 B12R1.43 C[C@H](Nc1ccncc1)C(=O)N ad266badea115df3b4f5bccb0d59b70d [0,1,0,0,0,1|1,0,1]=4 740 B12R1.43 NC(=O)C(F)Nc1ccccc1 299f6d190577b4cf14ee619179561a19 [0,1,0,0,0,1|1,0,1]=4 741 B12R1.49 C=CC(C)Nc1ccc(cc1)Br 403d06842376d037cebe35821a017868 [0,1,0,0,0,1|1,0,1]=4 742 B12R1.49 C=CC(C)Nc1ccc(cc1)C 0488a2d9d6404f33ce90d4230eb23cab [0,1,0,0,0,1|1,0,1]=4 743 B12R1.49 C=CC(C)Nc1ccc(cc1)Cl f4d81ae23d343863a96b2fb96899b76a [0,1,0,0,0,1|1,0,1]=4 744 B12R1.49 C=CC(C)Nc1ccc(cc1)F 65bd88cdd491a5e75767b399fffd908a [0,1,0,0,0,1|1,0,1]=4 745 B12R1.49 C=CC(C)Nc1ccc(cc1)I eb64d4ea5e2eafff82bdf3cbc45d4407 [0,1,0,0,0,1|1,0,1]=4 746 B12R1.49 C=CC(C)Nc1ccc(cc1)O 3cc58842ae566312961afddeb6065735 [0,1,0,0,0,1|1,0,1]=4 747 B12R1.49 C=CC(C)Nc1ccc(cc1)S e8fcf7b2d5ac4b2a56cb6d0c7b61aaae [0,1,0,0,0,1|1,0,1]=4 748 B12R1.49 C=CC(C)Oc1ccc(cc1)Br 8b58fa56c68a51d29f696130d4c93c91 [0,1,0,0,0,1|1,0,1]=4 749 B12R1.49 C=CC(C)Oc1ccc(cc1)C 23b50949d0ed4622ff3350a650649a98 [0,1,0,0,0,1|1,0,1]=4 750 B12R1.49 C=CC(C)Oc1ccc(cc1)Cl 9fff9b33ca18eda00f3f594df3fd81dc [0,1,0,0,0,1|1,0,1]=4 751 B12R1.49 C=CC(C)Oc1ccc(cc1)F cb1256648bbcacf84b4a83bcfab217ba [0,1,0,0,0,1|1,0,1]=4 752 B12R1.49 C=CC(C)Oc1ccc(cc1)I 577f46f1638e304f2fc082cd6cb84434 [0,1,0,0,0,1|1,0,1]=4 753 B12R1.49 C=CC(C)Oc1ccc(cc1)S 964461676dd4d8d84788fee04bcd67f0 [0,1,0,0,0,1|1,0,1]=4 754 B12R1.49 CC(C#N)Nc1ccc(cc1)S ac71b703962a1a844719a45f86f016b5 [0,1,0,0,0,1|0,0,2]=4 755 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 0ebdbbe895ac26954af91805adb881c1 [0,1,0,0,0,1|0,0,2]=4 756 B12R1.49 CC(C=O)Nc1ccc(cc1)Br 0b5aa495fe35d339e0a42d586abdd9e9 [0,1,0,0,0,1|1,0,1]=4 757 B12R1.49 CC(C=O)Nc1ccc(cc1)Cl 4e5b79d1ad83a88f8820fd2e86f0fb86 [0,1,0,0,0,1|1,0,1]=4 758 B12R1.49 CC(C=O)Nc1ccc(cc1)F 5684754fe181f7994ecf244d7faa13bf [0,1,0,0,0,1|1,0,1]=4 759 B12R1.49 CC(C=O)Nc1ccc(cc1)I ccff2f2e9987c01434a0f0fdad935e2c [0,1,0,0,0,1|1,0,1]=4 760 B12R1.49 CC(C=O)Nc1ccc(cc1)S 4ed1c3cd9e4fa22f3944755b2442a838 [0,1,0,0,0,1|1,0,1]=4 761 B12R1.49 CC(C=O)Oc1ccc(cc1)Br 95e95ee3a48905ba5f9045bfec61520c [0,1,0,0,0,1|1,0,1]=4 762 B12R1.49 CC(C=O)Oc1ccc(cc1)Cl f1b9ef83945eb43116fda33fc5f1d9c5 [0,1,0,0,0,1|1,0,1]=4 763 B12R1.49 CC(C=O)Oc1ccc(cc1)F 6d7985a64825be68afd5f733eb20e88f [0,1,0,0,0,1|1,0,1]=4 764 B12R1.49 CC(C=O)Oc1ccc(cc1)I 5c06b2f5f60433bfdbc232af800e78a4 [0,1,0,0,0,1|1,0,1]=4 765 B12R1.49 CC(C=O)Oc1ccc(cc1)S 5313ec236558d5ec496e77bc1ae8f1ff [0,1,0,0,0,1|1,0,1]=4 766 B12R1.49 CC(CO)Nc1ccc(=O)[nH]c1 ac371798df64003805918789f0e6bec8 [0,1,0,0,0,1|2,0,0]=4 767 B12R1.49 CC(CO)Nc1ccc(cc1)Br 592ef5953e06db03ec99416b117263ef [0,1,0,0,0,1|1,0,0]=3 768 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 6e245977f2eddb60c0247b5c843b676d [0,1,0,0,0,1|1,0,0]=3 769 B12R1.49 CC(CO)Nc1ccc(cc1)F 4b0578096f484cca12cad3c022131099 [0,1,0,0,0,1|1,0,0]=3 770 B12R1.49 CC(CO)Nc1ccc(cc1)I 774ceb747df2f9a4ee3d7a744cbb4ea7 [0,1,0,0,0,1|1,0,0]=3 771 B12R1.49 CC(CO)Nc1ccc(cc1)S 6476a5e0718364a34b1792ef13298738 [0,1,0,0,0,1|1,0,0]=3 772 B12R1.49 CC(CO)Nc1ccc(cn1)Br 94606cb94945a2ef3e8ee090cfd9fb45 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.49 CC(CO)Nc1ccc(cn1)Cl 961bd8aa0a2ddf29f9396ecadb7fd2f5 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.49 CC(CO)Nc1ccc(cn1)F a1103ee0673aa700a41ed9a8336c78cf [0,1,0,0,0,1|2,0,0]=4 775 B12R1.49 CC(CO)Nc1ccc(cn1)I a28e0745d894d147daa75862cd393987 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.49 CC(CO)Nc1ccc(nc1)Br bd6e16e1b752fd73e2d385bb2f7b3038 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.49 CC(CO)Nc1ccc(nc1)Cl 46ed51a7bc0497c3b455e7dba1811d7f [0,1,0,0,0,1|2,0,0]=4 778 B12R1.49 CC(CO)Nc1ccc(nc1)F 2417f7f246cf00a750eee1b638f68700 [0,1,0,0,0,1|2,0,0]=4 779 B12R1.49 CCC(C)Nc1ccc(=O)[nH]c1 9c3a051318b69b42c506acf71baaab78 [0,1,0,0,0,1|2,0,0]=4 780 B12R1.49 CCC(C)Nc1ccc(cc1)Br 4d1c483cf4afbfba9a2f8d3db94bec3f [0,1,0,0,0,1|1,0,0]=3 781 B12R1.49 CCC(C)Nc1ccc(cc1)C 3b1fa0514d720f4b3db404292b778124 [0,1,0,0,0,1|1,0,0]=3 782 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 76d63efd5fc59378ea17379a47e7b19f [0,1,0,0,0,1|1,0,0]=3 783 B12R1.49 CCC(C)Nc1ccc(cc1)F e00a92636e95efc27604581ea177b931 [0,1,0,0,0,1|1,0,0]=3 784 B12R1.49 CCC(C)Nc1ccc(cc1)I 442f4ce893379ae3f70afc3980567446 [0,1,0,0,0,1|1,0,0]=3 785 B12R1.49 CCC(C)Nc1ccc(cc1)S d4e426a89d91db8144c9fb2dff511b9d [0,1,0,0,0,1|1,0,0]=3 786 B12R1.49 CCC(C)Nc1ccc(cn1)Br aaca4ce415a7931961931f78f98ab278 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.49 CCC(C)Nc1ccc(cn1)C 3974fbee8e41b47cf8e28862ad4333fe [0,1,0,0,0,1|2,0,0]=4 788 B12R1.49 CCC(C)Nc1ccc(cn1)Cl 66ff8b89026469a8e38c6095deb6d916 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.49 CCC(C)Nc1ccc(cn1)F 1726cfb6c29c4023149de22239fc486c [0,1,0,0,0,1|2,0,0]=4 790 B12R1.49 CCC(C)Nc1ccc(cn1)I 34f181f4c3129e8b65847ab4adfa052b [0,1,0,0,0,1|2,0,0]=4 791 B12R1.49 CCC(C)Nc1ccc(nc1)Br d54c0572efadfb4c8f4847bf437a2c7d [0,1,0,0,0,1|2,0,0]=4 792 B12R1.49 CCC(C)Nc1ccc(nc1)C d6ad82578c876ee968feac0cec45d888 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.49 CCC(C)Nc1ccc(nc1)Cl 518238fe62da44e7f2bfc38c3bdbfb29 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.49 CCC(C)Nc1ccc(nc1)F d59e4f4e8b2b0114fd8798e34fba4a26 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.49 CCC(C)Nc1ccc(nc1)I 766aa3865a62312e75c4abba9187c088 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.49 CCC(C)Oc1ccc(cc1)Br e9ac760eb966c46626ad8cc78ce8ab95 [0,1,0,0,0,1|1,0,0]=3 797 B12R1.49 CCC(C)Oc1ccc(cc1)C 7e96b7f640ec60a64eac66e0769be3a7 [0,1,0,0,0,1|1,0,0]=3 798 B12R1.49 CCC(C)Oc1ccc(cc1)Cl e4591e0baef7f8d77d4837bf4d9fdb37 [0,1,0,0,0,1|1,0,0]=3 799 B12R1.49 CCC(C)Oc1ccc(cc1)F c16cd2d17d48a9601c3d676d21db62eb [0,1,0,0,0,1|1,0,0]=3 800 B12R1.49 CCC(C)Oc1ccc(cc1)I 1f03b3dddba16cff63099651f2c3fd3b [0,1,0,0,0,1|1,0,0]=3 801 B12R1.49 CCC(C)Oc1ccc(cc1)S d9f5a2f73690dbd57408915a8a39b443 [0,1,0,0,0,1|1,0,0]=3 802 B12R1.49 CCC(C)Oc1ccc(cn1)C 86885d95e1bb6039e358749c7fcfdfa1 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 595bbd3cd42cdab404b4be664ed271c9 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.49 CCC(C)Oc1ccc(cn1)F a952b0d45add5cc8619832f121e6479a [0,1,0,0,0,1|2,0,0]=4 805 B12R1.49 CCC(C)Oc1ccc(cn1)I 59c9a3e88e3dcecd675196783f853b2e [0,1,0,0,0,1|2,0,0]=4 806 B12R1.49 CCC(C)Oc1ccc(nc1)Br 516eff06c3a3a1ff8c5f0f3c5810da98 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.49 CCC(C)Oc1ccc(nc1)C 1854083619ec73eee9198b834003b342 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.49 CCC(C)Oc1ccc(nc1)Cl e1bf6ecb1ecdae647567f976542296a9 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.49 CCC(C)Oc1ccc(nc1)F 89b79d90d644d22250fbc4a007feb1fb [0,1,0,0,0,1|2,0,0]=4 810 B12R1.49 CCC(C)Oc1ccc(nc1)I 8b1b0ad039b58415fb42dcc3a01e22b2 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.49 CCN(C)Cc1ccc(cc1)Br 1cd45e4ca45fae9e98f9fb1c46e39cc6 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.49 CCN(C)Cc1ccc(cc1)C 055291017524f626e0726902d4240145 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 44a860069a7f680293c76e814fd41a95 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.49 CCN(C)Cc1ccc(cc1)F 54dace8f30df290c27637058b77ffe21 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.49 CCN(C)Cc1ccc(cc1)I 5d72761060d288ad1c94906cd08bd152 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.49 CC[C@@H](C)Nc1ccc(cc1)S cbd8e9c1c5acf2775569733e10999d98 [0,1,0,0,0,1|1,0,0]=3 817 B12R1.49 CC[C@H](C)Nc1ccc(cc1)S fffd6af76aaef88a5e0ba51aece02cfc [0,1,0,0,0,1|1,0,0]=3 818 B12R1.49 CN(CF)Cc1ccc(cc1)Br 1c98aaf588285d3dd9f73536ec902634 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 1a19e37accbfa35c145aa7afd68f1e35 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.49 CN(CF)Cc1ccc(cc1)F cb4a8bfaf28fb4375125182c6f95b1a1 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.49 CN(CF)Cc1ccc(cc1)I a40135575e4a37cd9b5d74c27cd08e30 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.49 CN(CO)Cc1ccc(cc1)Br 5e55a925cd3dce7e6241436ae8c54919 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.49 CN(CO)Cc1ccc(cc1)Cl dab1af0d42fcee1a60d38378d8e8efce [0,1,0,0,0,1|2,0,0]=4 824 B12R1.49 CN(CO)Cc1ccc(cc1)F 7fd3b80fbdb09310d5fe39719fff8ba6 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.49 CN(CO)Cc1ccc(cc1)I 586b1a870616a315f891e0fa55e04ab9 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.49 C[C@@H](CO)Nc1ccc(=O)[nH]c1 2663dcff7243bbde6f1002066411c077 [0,1,0,0,0,1|2,0,0]=4 827 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Br 81ff9fcc021a132282f1894c27228443 [0,1,0,0,0,1|1,0,0]=3 828 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Cl 895f70fe0dbe38715df711db55f41f0c [0,1,0,0,0,1|1,0,0]=3 829 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)F 9b79cc3b0525c5fa5f4e86071dc6a6d4 [0,1,0,0,0,1|1,0,0]=3 830 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)I f030c452e948f44d3d2e91d60b707da3 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)S 43c8b001202cbd567805dbe271a67550 [0,1,0,0,0,1|1,0,0]=3 832 B12R1.49 C[C@@H](CO)Nc1ccc(cn1)Cl e67bfa07435b47ff49285cb7e422b815 [0,1,0,0,0,1|2,0,0]=4 833 B12R1.49 C[C@@H](CO)Nc1ccc(cn1)F b9faaf94908e1ba89b64f00f41c0cafd [0,1,0,0,0,1|2,0,0]=4 834 B12R1.49 C[C@@H](CO)Nc1ccc(cn1)I 9e756c7f0a06e4bbfa5760c604f5a5bf [0,1,0,0,0,1|2,0,0]=4 835 B12R1.49 C[C@@H](CO)Nc1ccc(nc1)Br 1d611bd564105e97cbd0259527821676 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.49 C[C@@H](CO)Nc1ccc(nc1)Cl b77dff8cd1b17c732de7b206cd349050 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.49 C[C@@H](CO)Nc1ccc(nc1)F 262d9176e479e4661b0a3722c72670d9 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)Br 9da1a3f2799b259fc8798e33e4adf1a1 [0,1,0,0,0,1|1,0,1]=4 839 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)Cl 96c63f81bc7272c644b26eb6861d4c24 [0,1,0,0,0,1|1,0,1]=4 840 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)F 246dadd31bc41ec3cb154bdd64b1a18e [0,1,0,0,0,1|1,0,1]=4 841 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)I 2811cf92fdee54c8c73288e50e4d3dbb [0,1,0,0,0,1|1,0,1]=4 842 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)S 663aec2f6d763e5eb9a4c4f0db443af7 [0,1,0,0,0,1|1,0,1]=4 843 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)Br a777615056b6692a116ec18ff9c7f468 [0,1,0,0,0,1|1,0,1]=4 844 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)Cl 0d8070db8ae5d2faf82c0d769d05c05f [0,1,0,0,0,1|1,0,1]=4 845 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)F 98f105ec555d1332e10eeda2b0eaf3dd [0,1,0,0,0,1|1,0,1]=4 846 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)I 3b12be3364e785f902e909b21ef03699 [0,1,0,0,0,1|1,0,1]=4 847 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)S a7b779cddd8f944bb9b2c44c3d55bb15 [0,1,0,0,0,1|1,0,1]=4 848 B12R1.49 C[C@H](CO)Nc1ccc(=O)[nH]c1 a8690a44285a7a47632cbd2aa0dce9ce [0,1,0,0,0,1|2,0,0]=4 849 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Br af8120a15198da801643963289e3f0b4 [0,1,0,0,0,1|1,0,0]=3 850 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Cl 356f51342fc5e10d8fb2b3371a2ed97a [0,1,0,0,0,1|1,0,0]=3 851 B12R1.49 C[C@H](CO)Nc1ccc(cc1)F 1f77c87bbae95423a93fe876d033eefc [0,1,0,0,0,1|1,0,0]=3 852 B12R1.49 C[C@H](CO)Nc1ccc(cc1)I a3869a49772cee44011ad8dc480d5c9d [0,1,0,0,0,1|1,0,0]=3 853 B12R1.49 C[C@H](CO)Nc1ccc(cc1)S 85732fce8faa73b572919e248911292a [0,1,0,0,0,1|1,0,0]=3 854 B12R1.49 C[C@H](CO)Nc1ccc(cn1)Cl fa103daf569fee75f32b9a3bdc0e5351 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.49 C[C@H](CO)Nc1ccc(cn1)F fb7a7b0eb34e8e21554f2fa3ea8e01da [0,1,0,0,0,1|2,0,0]=4 856 B12R1.49 C[C@H](CO)Nc1ccc(cn1)I 679ff13e01eb0f3278882532678b4245 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.49 C[C@H](CO)Nc1ccc(nc1)Br 6d5dc0fe5b65d516b515946ef3b064d3 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.49 C[C@H](CO)Nc1ccc(nc1)Cl f149fed0c54e3e712d60892921e0ca81 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.49 C[C@H](CO)Nc1ccc(nc1)F ee221ccdcacb36804e1f2682ae351155 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.49 Cc1ccc(cc1)CN(C)CF c0df0a0174bffac791963bd2047037d3 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.49 Cc1ccc(cc1)CN(C)CO ed474c07bd59a560c88e17955d9c9bb2 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.49 Cc1ccc(cc1)NC(C)C=O 25523a11e24587143b71fa6a3b27ffb2 [0,1,0,0,0,1|1,0,1]=4 863 B12R1.49 Cc1ccc(cc1)NC(C)CO 3a65f703743c7582d59d27c4b911a046 [0,1,0,0,0,1|1,0,0]=3 864 B12R1.49 Cc1ccc(cc1)N[C@@H](C)CO 2d26d3567e3cf630da5665d889609cd2 [0,1,0,0,0,1|1,0,0]=3 865 B12R1.49 Cc1ccc(cc1)N[C@H](C)C=O 28e4bee698edd08666ae4838a95d94b8 [0,1,0,0,0,1|1,0,1]=4 866 B12R1.49 Cc1ccc(cc1)N[C@H](C)CO ef5026ef31ef684c9c9940edc6a6ea55 [0,1,0,0,0,1|1,0,0]=3 867 B12R1.49 Cc1ccc(cc1)OC(C)C=O af87facb189cc757d2705aa9fa4da122 [0,1,0,0,0,1|1,0,1]=4 868 B12R1.49 Cc1ccc(cc1)O[C@H](C)C=O 5a6244d0de0cff008d52114aada8a1de [0,1,0,0,0,1|1,0,1]=4 869 B12R1.49 Cc1ccc(cn1)NC(C)CO fe8736593649ae0fdf850768d2fd4a83 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.49 Cc1ccc(cn1)N[C@@H](C)CO e06793396685fbfa84e56a22fcc772f6 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.49 Cc1ccc(cn1)N[C@H](C)CO b235f37c2a175e982f955356bf8fcc48 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.49 Cc1ccc(nc1)NC(C)CO 8be71426a89f9b3fc19771a9bea3710c [0,1,0,0,0,1|2,0,0]=4 873 B12R1.49 Cc1ccc(nc1)N[C@@H](C)CO 1200aaaac454694027214749085732b8 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.49 Cc1ccc(nc1)N[C@H](C)CO d86670f1ba12ed4085cdf6903f8b6525 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.50 C#CC(C)Oc1cccc(c1)F 20467f815808b2c16526287a6f576b12 [0,1,0,0,0,1|1,0,1]=4 876 B12R1.50 C=CC(C)Nc1cccc(c1)Br 5d0d292438f9fb80ee1d9349af7481d9 [0,1,0,0,0,1|1,0,1]=4 877 B12R1.50 C=CC(C)Nc1cccc(c1)C 85440b7448d0fdce9f2aa1b9dab583bd [0,1,0,0,0,1|1,0,1]=4 878 B12R1.50 C=CC(C)Nc1cccc(c1)Cl 92e556d6a18c6783b805767b4898a78d [0,1,0,0,0,1|1,0,1]=4 879 B12R1.50 C=CC(C)Nc1cccc(c1)F d1790bc00c4c3ae3a59918aca510c916 [0,1,0,0,0,1|1,0,1]=4 880 B12R1.50 C=CC(C)Nc1cccc(c1)I d2ed66f95138c6998ff4923ac40d93dd [0,1,0,0,0,1|1,0,1]=4 881 B12R1.50 C=CC(C)Nc1cccc(c1)O bacbd9d3a5511a3444e0064010a063ef [0,1,0,0,0,1|1,0,1]=4 882 B12R1.50 C=CC(C)Nc1cccc(c1)S ec9a39ad45f6c77d1301409ea5bbbac2 [0,1,0,0,0,1|1,0,1]=4 883 B12R1.50 C=CC(C)Oc1cccc(c1)Br 061aa384811fe6874f4354a54489993a [0,1,0,0,0,1|1,0,1]=4 884 B12R1.50 C=CC(C)Oc1cccc(c1)C 6fc5d680b8a7b77ca09c7ac2e734d59b [0,1,0,0,0,1|1,0,1]=4 885 B12R1.50 C=CC(C)Oc1cccc(c1)Cl e1bc7c6ea2bf46439ff866e30aecdf8a [0,1,0,0,0,1|1,0,1]=4 886 B12R1.50 C=CC(C)Oc1cccc(c1)F ee8ea19a93f332c5650bb3d76d153ac4 [0,1,0,0,0,1|1,0,1]=4 887 B12R1.50 C=CC(C)Oc1cccc(c1)I d2692cc9d9ab858286dea370e7653ffa [0,1,0,0,0,1|1,0,1]=4 888 B12R1.50 C=CC(C)Oc1cccc(c1)S 733b099411120456231bd7839dc39257 [0,1,0,0,0,1|1,0,1]=4 889 B12R1.50 CC(C#N)Oc1cccc(c1)F 44fccd68f1e0194c7caa821a35a9394a [0,1,0,0,0,1|0,0,2]=4 890 B12R1.50 CC(C=O)Nc1cccc(c1)Br f2452a2cbd15eaf5283760e9e1a5079a [0,1,0,0,0,1|1,0,1]=4 891 B12R1.50 CC(C=O)Nc1cccc(c1)Cl af9d201da575efbff8bc9d5c1ede0d73 [0,1,0,0,0,1|1,0,1]=4 892 B12R1.50 CC(C=O)Nc1cccc(c1)F 4ca02bf8e4fa8b4098f4df1fcabc1da7 [0,1,0,0,0,1|1,0,1]=4 893 B12R1.50 CC(C=O)Nc1cccc(c1)I 6208b1fe44def5d7972460fdcfa448fa [0,1,0,0,0,1|1,0,1]=4 894 B12R1.50 CC(C=O)Nc1cccc(c1)S 4db8eb15336fbb500a0bc9f22e5d5f99 [0,1,0,0,0,1|1,0,1]=4 895 B12R1.50 CC(C=O)Oc1cccc(c1)Br a9c2f4881a7c0f000c1fe302f4c5b143 [0,1,0,0,0,1|1,0,1]=4 896 B12R1.50 CC(C=O)Oc1cccc(c1)Cl e1123cf33b3159cabbda7653b84fb60a [0,1,0,0,0,1|1,0,1]=4 897 B12R1.50 CC(C=O)Oc1cccc(c1)F 2829650fa397b4918f6e2f3d5c5eb02a [0,1,0,0,0,1|1,0,1]=4 898 B12R1.50 CC(C=O)Oc1cccc(c1)I 966ae7a85a7961d21909b80d93ea7491 [0,1,0,0,0,1|1,0,1]=4 899 B12R1.50 CC(C=O)Oc1cccc(c1)S 2aca820ba62d9164093a11f2d93e9a74 [0,1,0,0,0,1|1,0,1]=4 900 B12R1.50 CC(CO)Nc1cc(ccn1)Br 2db262ee0de2e007f8a5dec2eb9292a5 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.50 CC(CO)Nc1cc(ccn1)Cl 6b823c91ff296c296a64a30b8f5b3e62 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.50 CC(CO)Nc1cc(ccn1)F 62e1b4be9c844ddeeed8f04265df3073 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.50 CC(CO)Nc1cc(ccn1)I 5660c296509b0f04f2a652236d75a831 [0,1,0,0,0,1|2,0,0]=4 904 B12R1.50 CC(CO)Nc1cc[nH]c(=S)c1 ab9922629ae5f6878290baa4fa5c137e [0,1,0,0,0,1|2,0,0]=4 905 B12R1.50 CC(CO)Nc1cccc(c1)Br 576ec4f6677be1f0394edeaf258b38fe [0,1,0,0,0,1|1,0,0]=3 906 B12R1.50 CC(CO)Nc1cccc(c1)Cl bd22220cbe1e26dbecd73c43bc0875f8 [0,1,0,0,0,1|1,0,0]=3 907 B12R1.50 CC(CO)Nc1cccc(c1)F 61b69c3784d43bb9b9681ef8141ee922 [0,1,0,0,0,1|1,0,0]=3 908 B12R1.50 CC(CO)Nc1cccc(c1)I 6634a846fe603d296254a7ec9e7b692c [0,1,0,0,0,1|1,0,0]=3 909 B12R1.50 CC(CO)Nc1cccc(n1)I 31b2740522a5abc0b28216a96a08f828 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.50 CC(CO)Nc1ccnc(c1)Br 4ca01050bdcb1d13ec38353364a49280 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.50 CC(CO)Nc1ccnc(c1)Cl bd274ba12ef1ab2e584cacd15d1af4e3 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.50 CC(CO)Nc1ccnc(c1)F 74ef6597f750eb0da3175b3242f8907b [0,1,0,0,0,1|2,0,0]=4 913 B12R1.50 CC(CO)Nc1ccnc(c1)I b92810927a9d85f2a94eab6ab4ce8138 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.50 CC(CO)Nc1cncc(c1)Br 35101df469554e4f4e3dccffffcd7598 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.50 CC(CO)Nc1cncc(c1)Cl 9cd6dd7ce678ed3c9777339923035391 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.50 CC(CO)Nc1cncc(c1)F bce7a232ec681d20b05074d852fdb4d3 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.50 CC(CO)Nc1cncc(c1)I 82f9a79820c9539597abe5327cff4234 [0,1,0,0,0,1|2,0,0]=4 918 B12R1.50 CCC(C)Nc1cc(ccn1)Br 594e6ed63689a65d4a0c6fc159c9e517 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.50 CCC(C)Nc1cc(ccn1)C 81ee07239cb203358014a073f1e632ff [0,1,0,0,0,1|2,0,0]=4 920 B12R1.50 CCC(C)Nc1cc(ccn1)Cl 8093c1dc42b9a1ce87c476e26f12f224 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.50 CCC(C)Nc1cc(ccn1)F a49a6f9aca7266ce3f010141e3df96cd [0,1,0,0,0,1|2,0,0]=4 922 B12R1.50 CCC(C)Nc1cc(ccn1)I 9a8c8d9b737531a6388ece43ef69dbcd [0,1,0,0,0,1|2,0,0]=4 923 B12R1.50 CCC(C)Nc1cc[nH]c(=S)c1 4ee5ef530c2ed0339494c6b0ef0f7b05 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.50 CCC(C)Nc1cccc(c1)Br 1d66578ce06ff9734ac9091e085e6a07 [0,1,0,0,0,1|1,0,0]=3 925 B12R1.50 CCC(C)Nc1cccc(c1)C d7cf6e3b62030f874de6f1eb9d16cf4f [0,1,0,0,0,1|1,0,0]=3 926 B12R1.50 CCC(C)Nc1cccc(c1)Cl 08bdcd143bf3141bf35886f1a7a48241 [0,1,0,0,0,1|1,0,0]=3 927 B12R1.50 CCC(C)Nc1cccc(c1)F abc1ee7f668b8358dc6ca8fd4a50a6d5 [0,1,0,0,0,1|1,0,0]=3 928 B12R1.50 CCC(C)Nc1cccc(c1)I bc6d04f9805b80597b81c6888c542900 [0,1,0,0,0,1|1,0,0]=3 929 B12R1.50 CCC(C)Nc1cccc(c1)S 2cd18a9ced79be6a90be5bf41232bef9 [0,1,0,0,0,1|1,0,0]=3 930 B12R1.50 CCC(C)Nc1cccc(n1)Br 1b80b2884dc3ef58e1e29baaa3fced62 [0,1,0,0,0,1|2,0,0]=4 931 B12R1.50 CCC(C)Nc1cccc(n1)C 02f6945e301e5f640cb0c4d8447bbcde [0,1,0,0,0,1|2,0,0]=4 932 B12R1.50 CCC(C)Nc1cccc(n1)F ce3dbcda0cb4b82b1a9c3eb4b0fca195 [0,1,0,0,0,1|2,0,0]=4 933 B12R1.50 CCC(C)Nc1cccc(n1)I af587b2d186b1981e1db504b2936c2d3 [0,1,0,0,0,1|2,0,0]=4 934 B12R1.50 CCC(C)Nc1ccnc(c1)Br 6f28fcb279a24cbf0723c3ad126b5941 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.50 CCC(C)Nc1ccnc(c1)C 0fe84843b27eab06f2f1e487cf4c5dbb [0,1,0,0,0,1|2,0,0]=4 936 B12R1.50 CCC(C)Nc1ccnc(c1)Cl d909c294ad81982105b2f5496a876878 [0,1,0,0,0,1|2,0,0]=4 937 B12R1.50 CCC(C)Nc1ccnc(c1)F a2d446064d16153865ba1c1a21ff763b [0,1,0,0,0,1|2,0,0]=4 938 B12R1.50 CCC(C)Nc1ccnc(c1)I 4aec7e4ac43f5e4de2fd256b20cd4672 [0,1,0,0,0,1|2,0,0]=4 939 B12R1.50 CCC(C)Nc1cncc(c1)Br 11ee3a83ff17a0c950f87cd89392d758 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.50 CCC(C)Nc1cncc(c1)C 6a45679c027d7e3c7aa59f2b33b76ccf [0,1,0,0,0,1|2,0,0]=4 941 B12R1.50 CCC(C)Nc1cncc(c1)Cl b7b671f873787bb176c2918252d6cb15 [0,1,0,0,0,1|2,0,0]=4 942 B12R1.50 CCC(C)Nc1cncc(c1)F 1a6f9d9f00290d056a9867015deda6c3 [0,1,0,0,0,1|2,0,0]=4 943 B12R1.50 CCC(C)Nc1cncc(c1)I aea7fe4404ff9ed6b9767ef9464031cf [0,1,0,0,0,1|2,0,0]=4 944 B12R1.50 CCC(C)Oc1cc(ccn1)Br 028aeba17a276b5d68e0c3910a92a015 [0,1,0,0,0,1|2,0,0]=4 945 B12R1.50 CCC(C)Oc1cc(ccn1)C 0c59f69bf438fad3881c8cf68db492f1 [0,1,0,0,0,1|2,0,0]=4 946 B12R1.50 CCC(C)Oc1cc(ccn1)Cl b70af3679db70e9128636896a00fd4fc [0,1,0,0,0,1|2,0,0]=4 947 B12R1.50 CCC(C)Oc1cc(ccn1)F 03ae7f5980d0b550991f1275c0cafacb [0,1,0,0,0,1|2,0,0]=4 948 B12R1.50 CCC(C)Oc1ccc[n+](c1)[O-] a8e4f7d8b49eb67b533cc522852da09f [0,1,0,0,0,1|2,0,0]=4 949 B12R1.50 CCC(C)Oc1cccc(=O)[nH]1 2f2f4d448d4abe1030945ebab86c3839 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.50 CCC(C)Oc1cccc(c1)Br 11f5b596601cd571c59ff2afebc8ce7a [0,1,0,0,0,1|1,0,0]=3 951 B12R1.50 CCC(C)Oc1cccc(c1)C 9cbbc47209d16c8e877df0d39e5bcab2 [0,1,0,0,0,1|1,0,0]=3 952 B12R1.50 CCC(C)Oc1cccc(c1)Cl 3dfa34a86dfbb1225b2fc77d38aaa045 [0,1,0,0,0,1|1,0,0]=3 953 B12R1.50 CCC(C)Oc1cccc(c1)F 11c1cebedbe6e61c8d433bebe0c72b96 [0,1,0,0,0,1|1,0,0]=3 954 B12R1.50 CCC(C)Oc1cccc(c1)I 7ed5e0b105802053e06ca681572fa199 [0,1,0,0,0,1|1,0,0]=3 955 B12R1.50 CCC(C)Oc1cccc(c1)S 4218a788a21d0fc160d2648a272c1309 [0,1,0,0,0,1|1,0,0]=3 956 B12R1.50 CCC(C)Oc1cccc(n1)Br 5e51c0ee115824bdb7404a2b4678fc74 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.50 CCC(C)Oc1cccc(n1)C 378f6d8983d81f2e553e3ceddf6f5528 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.50 CCC(C)Oc1cccc(n1)F 46239b9700f039405da1d416ed1cb61b [0,1,0,0,0,1|2,0,0]=4 959 B12R1.50 CCC(C)Oc1ccnc(c1)Br 86da4322aa67dc2f0dfae3729964d95c [0,1,0,0,0,1|2,0,0]=4 960 B12R1.50 CCC(C)Oc1ccnc(c1)C 082e769eb9d051269da6762ff8315229 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.50 CCC(C)Oc1ccnc(c1)Cl 7ca9f6bc04d64bd46ca08b56b3a2c210 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.50 CCC(C)Oc1ccnc(c1)F bd8549b1a5cfdc2591f214ee620f4027 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.50 CCC(C)Oc1cncc(c1)C 0aad02547d755d9761e20ef29077a45d [0,1,0,0,0,1|2,0,0]=4 964 B12R1.50 CCC(C)Oc1cncc(c1)Cl 0fd4f84080d21e745abce5d5e3c89a32 [0,1,0,0,0,1|2,0,0]=4 965 B12R1.50 CCC(C)Oc1cncc(c1)F 7d9b909a57c676f99056261286b82d07 [0,1,0,0,0,1|2,0,0]=4 966 B12R1.50 CCC(C)Oc1cncc(c1)I 05c43e2aff453430b5123e3d78482718 [0,1,0,0,0,1|2,0,0]=4 967 B12R1.50 CCN(C)Cc1cccc(c1)Br 0cfb611857c5cb7cc30f39c3873140b0 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.50 CCN(C)Cc1cccc(c1)C 53ad3a118e4ee122b8b7018696871a03 [0,1,0,0,0,1|2,0,0]=4 969 B12R1.50 CCN(C)Cc1cccc(c1)Cl e6a716bb03372171d841e30f8f33fb19 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.50 CCN(C)Cc1cccc(c1)F f82e676ee923805ac44e861b9bf86187 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.50 CCN(C)Cc1cccc(c1)I e43924ee04038b2970f0d94ad73ebdd0 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.50 CC[C@@H](C)Nc1cccc(c1)C 45d939f81c7b7d38cc39ca453cc6d8b9 [0,1,0,0,0,1|1,0,0]=3 973 B12R1.50 CC[C@H](C)Nc1cccc(c1)C 5181036d0ad680b57bb138220216ae0c [0,1,0,0,0,1|1,0,0]=3 974 B12R1.50 CN(CF)Cc1cccc(c1)Br 6775fcdab4ed66eef72cf962bfbcd2bd [0,1,0,0,0,1|2,0,0]=4 975 B12R1.50 CN(CF)Cc1cccc(c1)Cl 47b8e773794dda913d7489d774847e23 [0,1,0,0,0,1|2,0,0]=4 976 B12R1.50 CN(CF)Cc1cccc(c1)F fddef7f62e811634383c4be44d3ad4c2 [0,1,0,0,0,1|2,0,0]=4 977 B12R1.50 CN(CF)Cc1cccc(c1)I ba46f25f84a9adbaee66606d056f8d9f [0,1,0,0,0,1|2,0,0]=4 978 B12R1.50 CN(CO)Cc1cccc(c1)Br 598209607c72aa6d8108b132f4b46d7e [0,1,0,0,0,1|2,0,0]=4 979 B12R1.50 CN(CO)Cc1cccc(c1)Cl 2945da4e469cee97956e9210dfcdfe64 [0,1,0,0,0,1|2,0,0]=4 980 B12R1.50 CN(CO)Cc1cccc(c1)F 6a7f560609911b9b7b05731cdc2a168a [0,1,0,0,0,1|2,0,0]=4 981 B12R1.50 CN(CO)Cc1cccc(c1)I f120238df6abba66af1a68aaee18110e [0,1,0,0,0,1|2,0,0]=4 982 B12R1.50 C[C@@H](CO)Nc1cc(ccn1)Br ad61851c051c125d5694d6a575c498ad [0,1,0,0,0,1|2,0,0]=4 983 B12R1.50 C[C@@H](CO)Nc1cc(ccn1)F b5b2f8636267af7c9663189207d797c9 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.50 C[C@@H](CO)Nc1cc(ccn1)I 32f7d49c7fdb0f6ee00927febb40e03c [0,1,0,0,0,1|2,0,0]=4 985 B12R1.50 C[C@@H](CO)Nc1cc[nH]c(=S)c1 83087698439216ddbf013aecc7de49d6 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Br e12c135b7138e7c817f229b4b8639d64 [0,1,0,0,0,1|1,0,0]=3 987 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Cl b6aa20cbf8f24853667a022c40a8057e [0,1,0,0,0,1|1,0,0]=3 988 B12R1.50 C[C@@H](CO)Nc1cccc(c1)F c93de07c16abf3a73ffced01d0a7bfc9 [0,1,0,0,0,1|1,0,0]=3 989 B12R1.50 C[C@@H](CO)Nc1cccc(c1)I 63762b133b4c8dcbd72ab2f4bdb23f98 [0,1,0,0,0,1|1,0,0]=3 990 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)Br bb58d96af3bce423c93af1e19272e820 [0,1,0,0,0,1|2,0,0]=4 991 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)Cl 0f3a6c1c87562e3cffc82f4c2ced67f5 [0,1,0,0,0,1|2,0,0]=4 992 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)F dab6bd86fdc403c75d5277ad94aa75a5 [0,1,0,0,0,1|2,0,0]=4 993 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)I c1df10b1f0783445f904e00e661f8245 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.50 C[C@@H](CO)Nc1cncc(c1)Br 2c0a4f9edab83f035549f092863a7a06 [0,1,0,0,0,1|2,0,0]=4 995 B12R1.50 C[C@@H](CO)Nc1cncc(c1)Cl bba7a81e53611335195b3c14cb4a3c79 [0,1,0,0,0,1|2,0,0]=4 996 B12R1.50 C[C@@H](CO)Nc1cncc(c1)F b1958567279506ec38d63307d2a97d8a [0,1,0,0,0,1|2,0,0]=4 997 B12R1.50 C[C@@H](CO)Nc1cncc(c1)I 9f3f266bfef0f259410d5b43cf657169 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.50 C[C@H](C=O)Nc1cccc(c1)Br 083601a8b5d1468987a5fe1a05f529aa [0,1,0,0,0,1|1,0,1]=4 999 B12R1.50 C[C@H](C=O)Nc1cccc(c1)Cl 032dff0b15fdb585d7922a79bffbc562 [0,1,0,0,0,1|1,0,1]=4 1000 B12R1.50 C[C@H](C=O)Nc1cccc(c1)F eb63d3b593067c2ccb99e1c9d5ffa6ce [0,1,0,0,0,1|1,0,1]=4 1001 B12R1.50 C[C@H](C=O)Nc1cccc(c1)I bb10bc6fc96a9c8917286b83e5ad4952 [0,1,0,0,0,1|1,0,1]=4 1002 B12R1.50 C[C@H](C=O)Nc1cccc(c1)S 36abae26da95bc764c748d120882e1e3 [0,1,0,0,0,1|1,0,1]=4 1003 B12R1.50 C[C@H](C=O)Oc1cccc(c1)Br 6c41dd25360830863ab22820c77d7a3a [0,1,0,0,0,1|1,0,1]=4 1004 B12R1.50 C[C@H](C=O)Oc1cccc(c1)Cl dc463853b8988ce2d5693baeb1e4cec3 [0,1,0,0,0,1|1,0,1]=4 1005 B12R1.50 C[C@H](C=O)Oc1cccc(c1)F 9836fe66edbb8107689dea18a60ad543 [0,1,0,0,0,1|1,0,1]=4 1006 B12R1.50 C[C@H](C=O)Oc1cccc(c1)I ff214e29b24c8d9ed5da5db7b46e5329 [0,1,0,0,0,1|1,0,1]=4 1007 B12R1.50 C[C@H](C=O)Oc1cccc(c1)S ddfedaf23551abf86e0b90e82f9c9fe7 [0,1,0,0,0,1|1,0,1]=4 1008 B12R1.50 C[C@H](CO)Nc1cc(ccn1)Br d99999c237948d766fb7d5fdc8e6adbc [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.50 C[C@H](CO)Nc1cc(ccn1)F d90d1d34a7312c3add16362237114a7f [0,1,0,0,0,1|2,0,0]=4 1010 B12R1.50 C[C@H](CO)Nc1cc(ccn1)I d7fb66eb22eb6d55215ed51cece958c1 [0,1,0,0,0,1|2,0,0]=4 1011 B12R1.50 C[C@H](CO)Nc1cc[nH]c(=S)c1 857be84da7963d963226818a366cd801 [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.50 C[C@H](CO)Nc1cccc(c1)Br caa603dbf3d611872408e6a5a99c2208 [0,1,0,0,0,1|1,0,0]=3 1013 B12R1.50 C[C@H](CO)Nc1cccc(c1)Cl d80340fe9b92189a6899bc5d360147f0 [0,1,0,0,0,1|1,0,0]=3 1014 B12R1.50 C[C@H](CO)Nc1cccc(c1)F 8c3d08c899d303dc21916719c2ded833 [0,1,0,0,0,1|1,0,0]=3 1015 B12R1.50 C[C@H](CO)Nc1cccc(c1)I e332daa1e085ab96b6afa02650eceef0 [0,1,0,0,0,1|1,0,0]=3 1016 B12R1.50 C[C@H](CO)Nc1ccnc(c1)Br 734b74ac500fe54e9734862a91066ceb [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.50 C[C@H](CO)Nc1ccnc(c1)Cl 4739a4fb977c2de6a7df25c67fe250b2 [0,1,0,0,0,1|2,0,0]=4 1018 B12R1.50 C[C@H](CO)Nc1ccnc(c1)F 856eb7184b84c5f208a53d2f32f39adf [0,1,0,0,0,1|2,0,0]=4 1019 B12R1.50 C[C@H](CO)Nc1ccnc(c1)I 2e6ea6a287c6113fb422f73eef8a2056 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.50 C[C@H](CO)Nc1cncc(c1)Br ade9b85c451a03158ed181312036d6fc [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.50 C[C@H](CO)Nc1cncc(c1)Cl f0064f0121e93ff558e0e513bf24b5c0 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.50 C[C@H](CO)Nc1cncc(c1)F 25251bdf059cd98bede35bc957def282 [0,1,0,0,0,1|2,0,0]=4 1023 B12R1.50 C[C@H](CO)Nc1cncc(c1)I 93b02cec2b28c25913d991da4ccee97e [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.50 Cc1cc(ccn1)NC(C)CO 2ac4636e4bbc1085e4fc56d2304387de [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.50 Cc1cc(ccn1)N[C@@H](C)CO e23eb371aeb3e72e31f73352402809b8 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.50 Cc1cc(ccn1)N[C@H](C)CO 7269fb2696030224225b518a6c2af004 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.50 Cc1cccc(c1)CN(C)CF 609d411a38c58a3e2228564e503d49d3 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.50 Cc1cccc(c1)CN(C)CO 9ce835e7a7f8a76d68ac785fdcc22b43 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.50 Cc1cccc(c1)NC(C)C#N 4bd8056079d7da9e28c790c42218480c [0,1,0,0,0,1|0,0,2]=4 1030 B12R1.50 Cc1cccc(c1)NC(C)C=O eca6f76da047c93133bb245dabe5fccb [0,1,0,0,0,1|1,0,1]=4 1031 B12R1.50 Cc1cccc(c1)NC(C)CO c23f82ac252bf3ee5441826bde19dba5 [0,1,0,0,0,1|1,0,0]=3 1032 B12R1.50 Cc1cccc(c1)N[C@@H](C)CO b575cd99ac56e48b2608cbaccd98fff4 [0,1,0,0,0,1|1,0,0]=3 1033 B12R1.50 Cc1cccc(c1)N[C@H](C)C=O c0883182e06d03226ebddbbf9cf0d21c [0,1,0,0,0,1|1,0,1]=4 1034 B12R1.50 Cc1cccc(c1)N[C@H](C)CO 8c38b6b94b7f7840ff18f43638e4f1b0 [0,1,0,0,0,1|1,0,0]=3 1035 B12R1.50 Cc1cccc(c1)OC(C)C=O 14ed5d138f551f09a5df132aed282b02 [0,1,0,0,0,1|1,0,1]=4 1036 B12R1.50 Cc1cccc(c1)O[C@H](C)C=O 456d5631144eafb2228656abebd5c525 [0,1,0,0,0,1|1,0,1]=4 1037 B12R1.50 Cc1cccc(n1)NC(C)CO 45bab502bddd24a4fe806c81b040a3c6 [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.50 Cc1ccnc(c1)NC(C)CO e96b903edfe1b8f4df8295dcfd62c601 [0,1,0,0,0,1|2,0,0]=4 1039 B12R1.50 Cc1ccnc(c1)N[C@@H](C)CO 5fafaaeda45da0ad3cefa424d4e6e230 [0,1,0,0,0,1|2,0,0]=4 1040 B12R1.50 Cc1ccnc(c1)N[C@H](C)CO 2323fcbf1c7dc53f44ee76c516b12bc5 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.50 Cc1cncc(c1)NC(C)CO ef6faecefc32627c2a505f235efd3f9d [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.50 Cc1cncc(c1)N[C@@H](C)CO d4eba8ee68b5a8f0739a160b2c450602 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.50 Cc1cncc(c1)N[C@H](C)CO 7b0f504278d2e19e98afab563e91dd77 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.118 C=C[C@@H](CO)Nc1ccccc1 1f3da2dad53331dc21e491e025398272 [0,1,0,0,0,1|1,0,1]=4 1045 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,1,0,0,0,1|1,0,1]=4 1046 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [0,1,0,0,0,1|1,0,0]=3 1047 B12R1.118 CCC(CC)Nc1ccccn1 f49e7f296a5962a94c0c5ee1a9955043 [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.118 CCC(CC)Nc1cccnc1 9d074fe2d03393afaa8a1f416d06c27c [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.118 CCC(CC)Nc1ccncc1 e92afb62d5152fa888d91281ef827321 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.118 CCC(CC)Oc1ccccn1 f5c416138eaed35a265a3babf42f340b [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.118 CCC(CC)Oc1cccnc1 8b905fcc9a0926c38970cda9cd15fb7e [0,1,0,0,0,1|2,0,0]=4 1052 B12R1.118 CCC(CC)Oc1ccncc1 8468a86458c76ca321270d5385e3c580 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [0,1,0,0,0,1|1,0,0]=3 1054 B12R1.118 CCC(CO)Nc1ccccn1 2181b4d61311c9e330e2e4a095a20d89 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.118 CCC(CO)Nc1cccnc1 ab690edd9c53b8ad72b7a2f868d4b9cb [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.118 CCC(CO)Nc1ccncc1 8aab547416d07b24f651f076f2925f6a [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [0,1,0,0,0,1|1,0,0]=3 1058 B12R1.118 CC[C@@H](CO)Nc1cccnc1 f05c3f8431351c797a7cca5153cca11c [0,1,0,0,0,1|2,0,0]=4 1059 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [0,1,0,0,0,1|1,0,0]=3 1060 B12R1.118 CC[C@H](CO)Nc1cccnc1 7165d8fd3e622da53cd91836a6210b4c [0,1,0,0,0,1|2,0,0]=4 1061 B12R1.118 OCC(CO)Nc1ccccc1 c6d188a322ff4dea1d0ad1799b765f49 [0,1,0,0,0,1|1,0,0]=3 1062 B12R1.118 OCC(CO)Nc1ccccn1 f8671496cdd0b9ae31b2e86215c96510 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.118 OCC(CO)Nc1cccnc1 1c3e06491a2ecd20c68a2060ccf00f2b [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.118 OCC(CO)Nc1ccncc1 17073c744f98e1922427e8132e3d47d2 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.118 OCC(CO)Oc1ccccn1 cb1ffcdcac9e8fd5fe395e88ed50b040 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.118 OCC(CO)Oc1cccnc1 56f2e8a9cfa225dc92bf293f1fc04855 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.118 OCC(CO)Oc1ccncc1 9d0e5a08e7dc9069f5893f93c23d12e0 [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.194 CC(C)(CF)Nc1ccccc1 b6beb5eadcdeb337f0158c8ad0d8b555 [0,1,0,0,0,1|1,0,0]=3 1069 B12R1.194 CC(C)(CF)Nc1cccnc1 529569956c5ca9f3b54a7b3c9691fdbc [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.194 CC(C)(CO)Nc1ccccc1 30670d11326256bdda695fca46d82a64 [0,1,0,0,0,1|1,0,0]=3 1071 B12R1.194 CC(C)(CO)Nc1cccnc1 1f0639d7c8fc136873e0aeb22496de83 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.194 CCC(C)(C)Nc1ccccc1 17a09be9f9cdec5da28d382a8493f798 [0,1,0,0,0,1|1,0,0]=3 1073 B12R1.194 CCC(C)(C)Nc1cccnc1 8aca00507b17dbddb1ede8afa8bba163 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.371 C#CC(C)Oc1ccccc1Cl c499b2c268b344f7f39d17baa4e75222 [0,1,0,0,0,1|1,0,1]=4 1075 B12R1.371 C=CC(C)Nc1ccccc1Br 9aa7dcdb979f22631ed342e430b7eb29 [0,1,0,0,0,1|1,0,1]=4 1076 B12R1.371 C=CC(C)Nc1ccccc1C 3819244229258fc301aca1e6a88a588f [0,1,0,0,0,1|1,0,1]=4 1077 B12R1.371 C=CC(C)Nc1ccccc1Cl 4faf2b0f4270d1b890d93fbfbd7a3518 [0,1,0,0,0,1|1,0,1]=4 1078 B12R1.371 C=CC(C)Nc1ccccc1F e8e45126e3231c429310853e310aabff [0,1,0,0,0,1|1,0,1]=4 1079 B12R1.371 C=CC(C)Nc1ccccc1I d8537acd5e833b5d3791dc157f4ad423 [0,1,0,0,0,1|1,0,1]=4 1080 B12R1.371 C=CC(C)Nc1ccccc1S 1f429ddb4b31c1001534d7e703b3d027 [0,1,0,0,0,1|1,0,1]=4 1081 B12R1.371 C=CC(C)Oc1ccccc1Br 8dcca159fbb61e4a344d69a3981e34af [0,1,0,0,0,1|1,0,1]=4 1082 B12R1.371 C=CC(C)Oc1ccccc1C 043759c37eef23fd2bf2eb8a4b22c32a [0,1,0,0,0,1|1,0,1]=4 1083 B12R1.371 C=CC(C)Oc1ccccc1Cl a019e71f21cf74b52e8f51c45248bc02 [0,1,0,0,0,1|1,0,1]=4 1084 B12R1.371 C=CC(C)Oc1ccccc1F 02a050bc69e47c567b343d8df83e4bbc [0,1,0,0,0,1|1,0,1]=4 1085 B12R1.371 C=CC(C)Oc1ccccc1I 015f953c185df466cf4d49fd03f53ee8 [0,1,0,0,0,1|1,0,1]=4 1086 B12R1.371 C=CC(C)Oc1ccccc1S 6d184217ec2fc06b4de65358fa4e0851 [0,1,0,0,0,1|1,0,1]=4 1087 B12R1.371 CC(C#N)Oc1ccccc1Cl 40850be110f3b9249bd2a9451adce98a [0,1,0,0,0,1|0,0,2]=4 1088 B12R1.371 CC(C=O)Nc1ccccc1Br 0cffe9ce083ad01ecf385a83da6c200f [0,1,0,0,0,1|1,0,1]=4 1089 B12R1.371 CC(C=O)Nc1ccccc1Cl 94a6e578a67300a8601c42320c754c06 [0,1,0,0,0,1|1,0,1]=4 1090 B12R1.371 CC(C=O)Nc1ccccc1F 533c8c478388a885e9d06d70a9926a45 [0,1,0,0,0,1|1,0,1]=4 1091 B12R1.371 CC(C=O)Nc1ccccc1I 5ae49e49ea287523fd5480ea70ade2c3 [0,1,0,0,0,1|1,0,1]=4 1092 B12R1.371 CC(C=O)Nc1ccccc1S 2dd5e99b71f9daa64e39383f96ce35ed [0,1,0,0,0,1|1,0,1]=4 1093 B12R1.371 CC(C=O)Oc1ccccc1Br cca8e9cd4bff0dc78a128bcd4e77e4aa [0,1,0,0,0,1|1,0,1]=4 1094 B12R1.371 CC(C=O)Oc1ccccc1Cl 02bc34f35e679902ac410d784bea8377 [0,1,0,0,0,1|1,0,1]=4 1095 B12R1.371 CC(C=O)Oc1ccccc1F 1a987f41c326b4210c8178eee1e3ac7b [0,1,0,0,0,1|1,0,1]=4 1096 B12R1.371 CC(C=O)Oc1ccccc1I f3a806c69a736bcff0c96d6f5130b667 [0,1,0,0,0,1|1,0,1]=4 1097 B12R1.371 CC(C=O)Oc1ccccc1S 4af2e6ec03ec861160b91a990d876eb5 [0,1,0,0,0,1|1,0,1]=4 1098 B12R1.371 CC(CO)Nc1c[nH]ccc1=O 321f196e2e776ccc2900ff309758121d [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.371 CC(CO)Nc1c[nH]ccc1=S 41f5c5199c2ede36ed20c07e37caf245 [0,1,0,0,0,1|2,0,0]=4 1100 B12R1.371 CC(CO)Nc1cccc[n+]1[O-] 23888e15eb2ed4a36bfb52afe9030080 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.371 CC(CO)Nc1ccccc1F ab9abc3c7ad63ce6e7fb98c9c85f3edf [0,1,0,0,0,1|1,0,0]=3 1102 B12R1.371 CC(CO)Nc1ccccc1I 8db44cdfb97be4fe1b6791bb92fd08be [0,1,0,0,0,1|1,0,0]=3 1103 B12R1.371 CC(CO)Nc1cccnc1Br 4206efbd810086848465bb19821fa646 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.371 CC(CO)Nc1cccnc1Cl a47c452cda368ccadee093edfe71eaa0 [0,1,0,0,0,1|2,0,0]=4 1105 B12R1.371 CC(CO)Nc1cccnc1F 582cc3d4867769ec24ce0209b0b0d73f [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.371 CC(CO)Nc1cccnc1I 44cdbbb32665f3e0eb76bddb8b1ce46a [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.371 CC(CO)Nc1ccncc1Br 72f97ef8acdbdb22383bc3c6b9ab1bfc [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.371 CC(CO)Nc1ccncc1Cl f8333347331cdfbaf6f1d8ad677a6239 [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.371 CC(CO)Nc1ccncc1F 620e989eb04475868ee8ea227ac90b55 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.371 CC(CO)Nc1ccncc1I 97682b16c12e692769ad3133ec772905 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.371 CC(CO)Nc1cnccc1Br b19333d3c7cf19402552fb8563c2563c [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.371 CC(CO)Nc1cnccc1Cl 99d51db6abcd307736eea9856ba6d401 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.371 CC(CO)Nc1cnccc1F abfcfb71348f83f221521200795b2f19 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.371 CC(CO)Nc1cnccc1I b9bd0901c4993ed13ffc4291db07305c [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.371 CC(CO)Nc1ncccc1Br 0d2154c32e4dc4c3a1d0dbf22eaa816a [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.371 CC(CO)Nc1ncccc1Cl c3c0d5c8b8379cb408946d600babf9d8 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.371 CC(CO)Nc1ncccc1F c21375de0e5c4e333dd2c7b3e972651f [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.371 CC(CO)Nc1ncccc1I dc78d6f52d6882ea4a9a559957391067 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.371 CCC(C)Nc1c[nH]ccc1=O c2bd7b571a74a6d57ce8d60d072a5190 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.371 CCC(C)Nc1ccc[nH]c1=S 368de1ca7dc374d001ee6648d4f77fac [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.371 CCC(C)Nc1cccc[n+]1[O-] 96d26cc8fc0c47ab85568b0a768d417f [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.371 CCC(C)Nc1ccccc1Cl de4bf505a5bbedeb31e8a75347207b67 [0,1,0,0,0,1|1,0,0]=3 1123 B12R1.371 CCC(C)Nc1ccccc1I cd67cc2bf7f4f6d6c61e47b710e1bb55 [0,1,0,0,0,1|1,0,0]=3 1124 B12R1.371 CCC(C)Nc1ccccc1S ecd9db41f3061f567fc7308b02ebdeed [0,1,0,0,0,1|1,0,0]=3 1125 B12R1.371 CCC(C)Nc1cccnc1Br 05665b32dd64c7ae5c5d1b204615ea1a [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.371 CCC(C)Nc1cccnc1C 69bdadafe895488d0a0a00a5113c4ce5 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.371 CCC(C)Nc1cccnc1Cl addbd46ce2d8bf652236f6af07791860 [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.371 CCC(C)Nc1cccnc1F 86776cb828a8411f498af86bf48f5666 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.371 CCC(C)Nc1cccnc1I c824747a50c87a7afb1d272abc64c318 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.371 CCC(C)Nc1ccncc1Br b1b27e66e3a65977875648c66a1b2b34 [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.371 CCC(C)Nc1ccncc1C 5391ae7fc3e7ad06c5ddf7dd024dfab1 [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.371 CCC(C)Nc1ccncc1Cl deb250393e15963a63fb6432f633cc5d [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.371 CCC(C)Nc1ccncc1F 8ff9baa31fbe175f81c58342169fa074 [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.371 CCC(C)Nc1ccncc1I 20a34ef54425659fdd36a0563b664900 [0,1,0,0,0,1|2,0,0]=4 1135 B12R1.371 CCC(C)Nc1cnccc1Br be5c526def45f85b78701f9c364d6941 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.371 CCC(C)Nc1cnccc1C d27518f8439192787b0708e4ab3d13c2 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.371 CCC(C)Nc1cnccc1Cl e90478fa0b65ce55c439c0b1c8006b30 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.371 CCC(C)Nc1cnccc1F 6ac19dd3e4360bff6b8ca24903e41a4d [0,1,0,0,0,1|2,0,0]=4 1139 B12R1.371 CCC(C)Nc1cnccc1I aff4ff6560012d41a1561eb3ff7ddc09 [0,1,0,0,0,1|2,0,0]=4 1140 B12R1.371 CCC(C)Nc1cnccc1S 875cdd65e289b4072dc22abcd6eb587d [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.371 CCC(C)Nc1ncccc1Br fbb051f4e66e0b9d73cb5f6e2897342d [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.371 CCC(C)Nc1ncccc1C 6bda26dd06cca79da4887c577174f95d [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.371 CCC(C)Nc1ncccc1Cl f0b62e4fb467f95ad24224f169682733 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.371 CCC(C)Nc1ncccc1F b039468387a6c53ec865f9b4e39c3865 [0,1,0,0,0,1|2,0,0]=4 1145 B12R1.371 CCC(C)Nc1ncccc1I b6fdb25a4fdb352b2b974198fb23da2a [0,1,0,0,0,1|2,0,0]=4 1146 B12R1.371 CCC(C)Oc1ccc[nH]c1=S 1edb3b7c94c955c0f6bb6b8e37c06528 [0,1,0,0,0,1|2,0,0]=4 1147 B12R1.371 CCC(C)Oc1cccc[n+]1[O-] 194a2e1d3ccdaec10afca683ac5ba809 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.371 CCC(C)Oc1ccccc1C a9f8caaebcb535b77e0f35c5ea074362 [0,1,0,0,0,1|1,0,0]=3 1149 B12R1.371 CCC(C)Oc1ccccc1Cl 6f598d947434a44e209cdf34b797bf91 [0,1,0,0,0,1|1,0,0]=3 1150 B12R1.371 CCC(C)Oc1ccccc1F b533bd9cc207ae92fa5d1dd0e1595cbc [0,1,0,0,0,1|1,0,0]=3 1151 B12R1.371 CCC(C)Oc1ccccc1I 35e6ee1db321949fbb0c54358fea5b12 [0,1,0,0,0,1|1,0,0]=3 1152 B12R1.371 CCC(C)Oc1ccccc1S 430f323aec7886fe8f11d201c4780b84 [0,1,0,0,0,1|1,0,0]=3 1153 B12R1.371 CCC(C)Oc1cccnc1Br 17ade39b89ae2e472cfddf9f69d94e5d [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.371 CCC(C)Oc1cccnc1C fe15051a6bd5aaedc8a649111b9ec1b4 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.371 CCC(C)Oc1cccnc1Cl e999631a6145695341485be94bff93f5 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.371 CCC(C)Oc1cccnc1F e467cf8b9fbd5f0e2071fb47ae22bab6 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.371 CCC(C)Oc1cccnc1I 74d7b0aa04aed7e7e3f4b2f7bbe48cec [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.371 CCC(C)Oc1cccoc1=O 8ab19b07cd3846476105eb33401c096c [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.371 CCC(C)Oc1ccncc1Br 3471e7677a4ad5a90d226d132f116282 [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.371 CCC(C)Oc1ccncc1C a6f6771a98fb0e0a078f2555eff60847 [0,1,0,0,0,1|2,0,0]=4 1161 B12R1.371 CCC(C)Oc1ccncc1Cl b57d163e5782cba0f851b2a2f07bb9a4 [0,1,0,0,0,1|2,0,0]=4 1162 B12R1.371 CCC(C)Oc1ccncc1F 26ce4cbb1e8bb5640da39edb0460b546 [0,1,0,0,0,1|2,0,0]=4 1163 B12R1.371 CCC(C)Oc1cnccc1Br 54a4b999a8d7696e8efe64135f2ef53b [0,1,0,0,0,1|2,0,0]=4 1164 B12R1.371 CCC(C)Oc1cnccc1C 272e47027479d9121397120e6585370c [0,1,0,0,0,1|2,0,0]=4 1165 B12R1.371 CCC(C)Oc1cnccc1Cl d71a4703f9a17a848b4eb5ffe8ed1db1 [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.371 CCC(C)Oc1cnccc1F f55bcc4d7fe5dc38aaf8f86596f07c4f [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.371 CCC(C)Oc1cnccc1I dfb1da60b3ddb7bdb30209d05ea27899 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.371 CCC(C)Oc1coccc1=O e3af58d878f2178e5a2470ad6660cfa0 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.371 CCC(C)Oc1ncccc1Br b6613f73c3384f08e0b3850d4b67c10a [0,1,0,0,0,1|2,0,0]=4 1170 B12R1.371 CCC(C)Oc1ncccc1C 0b77a9663b4b9ad1dcca90b8ca41ba15 [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.371 CCC(C)Oc1ncccc1Cl fd2b11af8f8930f31b50edcdf7c67969 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.371 CCC(C)Oc1ncccc1F 88fd04e0122f2adda4feb1271f6b1dc0 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.371 CCC(C)On1ccccc1=N aaf1ad408274c9213c3f43eaa888f299 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.371 CCC(C)On1ccccc1=O e3a03f15a88cd1b8fe5c2c7671b9e4c9 [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.371 CCC(C)On1ccccc1=S 058ebf3627eb4546510da078560f6ff4 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.371 CCN(C)Cc1ccccc1Cl e51c361dfc91d5636e1e5a4513a1b110 [0,1,0,0,0,1|2,0,0]=4 1177 B12R1.371 CCN(C)Cc1ccccc1F 7c051a9a85266df48aaa13dcfa2254cd [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.371 CCN(C)Cc1ccccc1I 83032bc0e16de05a0971afc60500c87f [0,1,0,0,0,1|2,0,0]=4 1179 B12R1.371 CC[C@@H](C)Nc1c[nH]ccc1=O 31d6009ee69a5222219443c4bc01d780 [0,1,0,0,0,1|2,0,0]=4 1180 B12R1.371 CC[C@H](C)Nc1c[nH]ccc1=O f420a58c38eb5041c85c1af5028e4024 [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.371 CN(CF)Cc1ccccc1Cl 6ed036767b7fb14071dacefe6e13d31c [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.371 CN(CF)Cc1ccccc1F a8bd67ba066085685e654ad08e1c2328 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.371 CN(CF)Cc1ccccc1I 3f50ee944367b71e9fe1367ce96f9fad [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.371 CN(CO)Cc1ccccc1Br 9ac13c39fec83267043e3355bc9d3c6e [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.371 CN(CO)Cc1ccccc1Cl 2fb26837977d5eacf5cb47738766ffa1 [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.371 CN(CO)Cc1ccccc1F 661f3a9dbe61fe63a175ae38e8094802 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.371 CN(CO)Cc1ccccc1I fd2e6b3f5dd3915c1a3ff85b0c15f004 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.371 C[C@@H](CO)Nc1c[nH]ccc1=O 7810a1b63ffe35a9ff772efbb8e01bc9 [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.371 C[C@@H](CO)Nc1c[nH]ccc1=S 8e8ca1a6258cce2612613812fae01a3b [0,1,0,0,0,1|2,0,0]=4 1190 B12R1.371 C[C@@H](CO)Nc1cccc[n+]1[O-] 788c9f9e795394d9b0b85ec475f1fff3 [0,1,0,0,0,1|2,0,0]=4 1191 B12R1.371 C[C@@H](CO)Nc1ccccc1F bc7a17b0246c7bfaa6b92e68ea47eff7 [0,1,0,0,0,1|1,0,0]=3 1192 B12R1.371 C[C@@H](CO)Nc1ccccc1I 4e52463ff6b81e76a206c779e1fbf0a0 [0,1,0,0,0,1|1,0,0]=3 1193 B12R1.371 C[C@@H](CO)Nc1cccnc1Br 24aa745af7e142700d0a9ae82fef0c92 [0,1,0,0,0,1|2,0,0]=4 1194 B12R1.371 C[C@@H](CO)Nc1cccnc1Cl 3a158f99af71bde69cf4b3700326f46d [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.371 C[C@@H](CO)Nc1cccnc1F bb7c41784fb9989e3c0c52c7ab03d625 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.371 C[C@@H](CO)Nc1cccnc1I 9f52320e20d31b8cbbd09c2e9f3666a8 [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.371 C[C@@H](CO)Nc1ccncc1Br b294070918a888c6c2218df94098f074 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.371 C[C@@H](CO)Nc1ccncc1Cl df29eb9ed2824b54f00c394459453a94 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.371 C[C@@H](CO)Nc1ccncc1F 5cdd9eb864d432090917bf0b27da833c [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.371 C[C@@H](CO)Nc1ccncc1I 82d80fec6e8a03b45a86dd9cf9b5f19a [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.371 C[C@@H](CO)Nc1cnccc1Br 68bd4b22d7b10850e2fbb2b1f923dd6a [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.371 C[C@@H](CO)Nc1cnccc1Cl c018d48e5f71dfcfca16bc355b1c532b [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.371 C[C@@H](CO)Nc1cnccc1F cad0e8353ad35717ae0d259787d986b7 [0,1,0,0,0,1|2,0,0]=4 1204 B12R1.371 C[C@@H](CO)Nc1cnccc1I 29832140efef6c9c316346d339b28a43 [0,1,0,0,0,1|2,0,0]=4 1205 B12R1.371 C[C@@H](CO)Nc1ncccc1Br 017cd05d431390be839fb3cc52e09b3d [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.371 C[C@@H](CO)Nc1ncccc1Cl fe08519a870112c7bd81db5a28b7c9df [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.371 C[C@@H](CO)Nc1ncccc1F 19206a97545c27f362d4924a75300e0a [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.371 C[C@@H](CO)Nc1ncccc1I 136819d4b70145070292091b149e8fd3 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.371 C[C@H](C=O)Nc1ccccc1Br a1864457ce0dffa2f0da6ecc10ab5fbf [0,1,0,0,0,1|1,0,1]=4 1210 B12R1.371 C[C@H](C=O)Nc1ccccc1Cl 5ceb64dae13b86d46fe3ec23f86f66f5 [0,1,0,0,0,1|1,0,1]=4 1211 B12R1.371 C[C@H](C=O)Nc1ccccc1F 4f51f7da0ff8191f9d5f946ccf93c5e3 [0,1,0,0,0,1|1,0,1]=4 1212 B12R1.371 C[C@H](C=O)Nc1ccccc1I 65ced1e76ac77c60c97b59c031303fa5 [0,1,0,0,0,1|1,0,1]=4 1213 B12R1.371 C[C@H](C=O)Nc1ccccc1S 8f49bcddd44cf23841dee8754a5c45fd [0,1,0,0,0,1|1,0,1]=4 1214 B12R1.371 C[C@H](C=O)Oc1ccccc1Br 9bc9c79f423a4b1ff83beede1e97d920 [0,1,0,0,0,1|1,0,1]=4 1215 B12R1.371 C[C@H](C=O)Oc1ccccc1Cl 9733f9dc4bc31efbce368eade2b3b3b8 [0,1,0,0,0,1|1,0,1]=4 1216 B12R1.371 C[C@H](C=O)Oc1ccccc1F aa4d032ebc4a94923d8e83d87e69f804 [0,1,0,0,0,1|1,0,1]=4 1217 B12R1.371 C[C@H](C=O)Oc1ccccc1I ffcaef81a183b5cfef236dbbc12ae67b [0,1,0,0,0,1|1,0,1]=4 1218 B12R1.371 C[C@H](C=O)Oc1ccccc1S 2b8f3f3eb6842effff4e3edc6332fa7b [0,1,0,0,0,1|1,0,1]=4 1219 B12R1.371 C[C@H](CO)Nc1c[nH]ccc1=O 345d2d48e1b1e18627a40f9cda7b6bc9 [0,1,0,0,0,1|2,0,0]=4 1220 B12R1.371 C[C@H](CO)Nc1c[nH]ccc1=S 90f7bc531c4ebfc391a209921baf149a [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.371 C[C@H](CO)Nc1cccc[n+]1[O-] fe6641bf1731d15db79c5d61e1e755f9 [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.371 C[C@H](CO)Nc1ccccc1F 636c9c06865906a75d3375bd72489d82 [0,1,0,0,0,1|1,0,0]=3 1223 B12R1.371 C[C@H](CO)Nc1ccccc1I aa96d8a3924e58569f2c3ab4fed9a92f [0,1,0,0,0,1|1,0,0]=3 1224 B12R1.371 C[C@H](CO)Nc1cccnc1Br acd550c245392c716c32ad2be2a6be06 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.371 C[C@H](CO)Nc1cccnc1Cl 83aa3e6845006824faaa3d57649128e2 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.371 C[C@H](CO)Nc1cccnc1F f8f79e4454dfaaa6b0b449961b593d41 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.371 C[C@H](CO)Nc1cccnc1I c104c5f6f5c3f912195ac0e1b4b12e43 [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.371 C[C@H](CO)Nc1ccncc1Br 32f372bb35a5dc21b771e079b5a5b38e [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.371 C[C@H](CO)Nc1ccncc1Cl 24e6ffc42a92bae0b8a942d4950db27f [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.371 C[C@H](CO)Nc1ccncc1F f0b78977cd0f4259c22fd79ec9d037a5 [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.371 C[C@H](CO)Nc1ccncc1I 96add5b899242164cb58251ccc6e7740 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.371 C[C@H](CO)Nc1cnccc1Br c2165ca874ba408d1063254d8c7208a7 [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.371 C[C@H](CO)Nc1cnccc1Cl a89a2924800a44bb2016498b4fb660f3 [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.371 C[C@H](CO)Nc1cnccc1F 45443282ceaf000126126539fac6711d [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.371 C[C@H](CO)Nc1cnccc1I 4fd2687202a5a6aba254ebbe10f70c2f [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.371 C[C@H](CO)Nc1ncccc1Br 59b244a11f38fc7402356973b49f9bdd [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.371 C[C@H](CO)Nc1ncccc1Cl d87b6b51986bda935d95d1dff9ee4980 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.371 C[C@H](CO)Nc1ncccc1F 1c78156be14948ed5ff0b8dacdadcf5a [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.371 C[C@H](CO)Nc1ncccc1I 47f602a2e27648b592334f3c311d61d5 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.371 Cc1ccccc1CN(C)CF c4adb1d2d43ad8f4548a4d1e53228779 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.371 Cc1ccccc1CN(C)CO 63199def7303a7d9eb3beb52a0338d30 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.371 Cc1ccccc1NC(C)C=O dd79d441edb1e3a3181ba2ed607f6b52 [0,1,0,0,0,1|1,0,1]=4 1243 B12R1.371 Cc1ccccc1NC(C)CO d135b508699b5774eadc8e5bb668b2c9 [0,1,0,0,0,1|1,0,0]=3 1244 B12R1.371 Cc1ccccc1N[C@@H](C)CO ca1b58b1899397ab399e5320d36d8569 [0,1,0,0,0,1|1,0,0]=3 1245 B12R1.371 Cc1ccccc1N[C@H](C)C=O 5359de32e5c8c0aedf2f1f753b4de24e [0,1,0,0,0,1|1,0,1]=4 1246 B12R1.371 Cc1ccccc1N[C@H](C)CO e0d94c7afbeca89e50d0334be68e4a7b [0,1,0,0,0,1|1,0,0]=3 1247 B12R1.371 Cc1ccccc1OC(C)C=O 811c89abb96a03e1911431f1a9795e27 [0,1,0,0,0,1|1,0,1]=4 1248 B12R1.371 Cc1ccccc1O[C@H](C)C=O b74429b71cdeb808aaa8ec87c3af4333 [0,1,0,0,0,1|1,0,1]=4 1249 B12R1.371 Cc1cccnc1NC(C)CO 7f255753bb1c89a254ef796b4f882827 [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.371 Cc1cccnc1N[C@@H](C)CO babcec4b79b7f1dea63ab1ae42ac667a [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.371 Cc1cccnc1N[C@H](C)CO 39948e51144728145513b0ea6ba22677 [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.371 Cc1ccncc1NC(C)CO a6aa25f37fabf51f6ef3ddf4ceb40fa2 [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.371 Cc1ccncc1N[C@@H](C)CO 6ef02d04834754f51b94d7313bca761e [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.371 Cc1ccncc1N[C@H](C)CO a48fc52e32a72d0ae6388a59332be89b [0,1,0,0,0,1|2,0,0]=4 1255 B12R1.371 Cc1cnccc1NC(C)CO 838519b0a4b438f50acb65698ad95171 [0,1,0,0,0,1|2,0,0]=4 1256 B12R1.371 Cc1cnccc1N[C@@H](C)CO 2cacf9709ba36ae4d18adb002835ef20 [0,1,0,0,0,1|2,0,0]=4 1257 B12R1.371 Cc1cnccc1N[C@H](C)CO 7c217feac6f842713593f8941f4244e2 [0,1,0,0,0,1|2,0,0]=4 1258 B12R1.371 Cc1ncccc1NC(C)CO 0a7c12e91115c1b45d7ae4e356970fc1 [0,1,0,0,0,1|2,0,0]=4 1259 B12R1.371 Cc1ncccc1N[C@@H](C)CO 7de9eebb40b8cef235e9005db18a568e [0,1,0,0,0,1|2,0,0]=4 1260 B12R1.371 Cc1ncccc1N[C@H](C)CO e3a38a589aca8ac1df731739aa516f6c [0,1,0,0,0,1|2,0,0]=4 1261 B12R1.39 CC(C)(NCF)c1ccccc1 edbd04c0a40b008dee076ea6123b2a3a [0,2,0,0,0,0|1,0,0]=3 1262 B12R1.39 CC(C)(NCF)c1ccccn1 770e756d1e95332e3499421034c15536 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.39 CC(C)(NCF)c1cccnc1 c9dbbd59cc94392086f34460b5dff467 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.39 CC(C)(NCF)c1ccncc1 aaec32bbd5ad2a42caea09ce0fe50de7 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.39 CC(C)(NCO)c1ccccc1 fb4c7e5860e9a5887317ede564ff1468 [0,2,0,0,0,0|1,0,0]=3 1266 B12R1.39 CC(C)(NCO)c1ccccn1 8e966f859b47b6b8d8f78feee4d9e37c [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.39 CC(C)(NCO)c1cccnc1 7a518b0e55c2e5095ce0833402b0f463 [0,2,0,0,0,0|2,0,0]=4 1268 B12R1.39 CC(C)(NCO)c1ccncc1 9519e1f3be0eb480db7074aecfedb810 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.39 CC(C)(OCF)c1ccccc1 4b3fad123409f56f69ec037047272502 [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.39 CC(C)(OCF)c1ccccn1 d33424fe1fcd17b8c4ebe203face6d56 [0,2,0,0,0,0|2,0,0]=4 1271 B12R1.39 CC(C)(OCF)c1cccnc1 2eb9f2f7f642dba2ea43db14704c79b3 [0,2,0,0,0,0|2,0,0]=4 1272 B12R1.39 CC(C)(OCF)c1ccncc1 13f2eaf1042fa52cf89f5215472a7cb5 [0,2,0,0,0,0|2,0,0]=4 1273 B12R1.39 CCNC(C)(C)c1ccccc1 2e6683f6142d34cb9ce8cfe15a82fe01 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.39 CCNC(C)(C)c1ccccn1 4f6e0d079cc2a9cc0f86d96102abf7e8 [0,2,0,0,0,0|2,0,0]=4 1275 B12R1.39 CCNC(C)(C)c1cccnc1 b4e4ae1c20585deb8ffb975d2bc492ed [0,2,0,0,0,0|2,0,0]=4 1276 B12R1.39 CCNC(C)(C)c1ccncc1 312eb57bb5eb67467275597e9da26aa8 [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.39 CCOC(C)(C)c1ccccc1 5bcc79794e808b87e35ba44c1bb3e6b7 [0,2,0,0,0,0|1,0,0]=3 1278 B12R1.39 CCOC(C)(C)c1ccccn1 797ca043724e54c07f165e71f181676c [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.39 CCOC(C)(C)c1cccnc1 f88c29388ee67774182c76accb219923 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.39 CCOC(C)(C)c1ccncc1 d72f4ee0e30cb7d699c48c3671419299 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,2,0,0,0,0|1,0,1]=4 1282 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,2,0,0,0,0|1,0,1]=4 1283 B12R1.3 C#CCN(CC)c1ccccc1 0e69b4312a2da0ecbf19f904c88229b5 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.3 C#CCN(CF)c1ccccc1 3117bd1d971901de76dc9aa519903292 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.3 C#CCN(CO)c1ccccc1 b46bd69fab400d8cd80b42a43cead3cb [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,2,0,0,0,0|1,0,1]=4 1287 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,2,0,0,0,0|1,0,1]=4 1288 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,2,0,0,0,0|1,0,1]=4 1289 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,2,0,0,0,0|1,0,1]=4 1290 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,2,0,0,0,0|1,0,1]=4 1291 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [0,2,0,0,0,0|1,0,1]=4 1292 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [0,2,0,0,0,0|1,0,1]=4 1293 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,2,0,0,0,0|1,0,1]=4 1294 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,2,0,0,0,0|1,0,1]=4 1295 B12R1.3 C=CCN(CC)c1ccccc1 2bf94e98a6e871d2b0d4e7e5382e5a7a [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.3 C=CCN(CF)c1ccccc1 7940366e8b8c93a3602e4b52172c37f4 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.3 C=CCN(CO)c1ccccc1 4e766be109ae162891a851d1f2c36317 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,2,0,0,0,0|1,0,1]=4 1299 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [0,2,0,0,0,0|1,0,1]=4 1300 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [0,2,0,0,0,0|1,0,1]=4 1301 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,2,0,0,0,0|1,0,1]=4 1302 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [0,2,0,0,0,0|1,0,1]=4 1303 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [0,2,0,0,0,0|1,0,1]=4 1304 B12R1.3 CCC(NC#N)c1ccccc1 0a2ef7e390ad9e10cb2f8cc5101ed59a [0,2,0,0,0,0|0,0,2]=4 1305 B12R1.3 CCC(NC=O)c1ccccc1 f35c5a1e32ab8921cb0fd5e08b4f1f33 [0,2,0,0,0,0|1,0,1]=4 1306 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,2,0,0,0,0|1,0,0]=3 1307 B12R1.3 CCC(NCF)c1ccccn1 029363a63cdc73d43d382c017127f3b2 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.3 CCC(NCF)c1cccnc1 050a1d083b10f03fb450419c81be8ae1 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.3 CCC(NCF)c1ccncc1 9bf5261489e42a982668f9a02bc785b3 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,2,0,0,0,0|1,0,0]=3 1311 B12R1.3 CCC(NCO)c1ccccn1 53926739b5891202cd48ad9d7851078d [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.3 CCC(NCO)c1cccnc1 fc7ff5ecddc71c25db8fb93cf06fa985 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.3 CCC(NCO)c1ccncc1 84ba64a663164f99367cb5a402dca926 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,2,0,0,0,0|1,0,0]=3 1315 B12R1.3 CCCN(CC)c1ccccc1 5ea19e4bc735ea7f3069a2089b17f98f [0,2,0,0,0,0|2,0,0]=4 1316 B12R1.3 CCCN(CF)c1ccccc1 09c2a5c50e06a77cf23cd7a11292cbb8 [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.3 CCCN(CO)c1ccccc1 332945179d143a8b0cba1e51c0b9da9c [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.3 CCN(CC#N)c1ccccc1 0f7d3e664fdae693d0242f80ad595317 [0,2,0,0,0,0|1,0,1]=4 1319 B12R1.3 CCN(CC=O)c1ccccc1 009c4a484e3ac4577aa247993a08c21a [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.3 CCN(CCCl)c1ccccc1 47212d52e7418dc451bee3761dbb1919 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.3 CCN(CCF)c1ccccc1 1f9535ebcbb04abfa8a63a91ce467760 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.3 CCN(CCO)c1ccccc1 1d2e59911dbe6dcca81bb0f2ddfcbc0f [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.3 CCN(CCS)c1ccccc1 44ac60c76caf5f87f5e7ad1379af23fc [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [0,2,0,0,0,0|0,0,2]=4 1325 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,2,0,0,0,0|1,0,0]=3 1326 B12R1.3 CCNC(CC)c1ccccn1 d1e9b5de2ccb0e4722c0772533316408 [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.3 CCNC(CC)c1cccnc1 183e03f7f6827f9f25dce9a8d81e707c [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.3 CCNC(CC)c1ccncc1 677ee2285d647e3f30ca8e6c526afe68 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,2,0,0,0,0|1,0,0]=3 1330 B12R1.3 CCNC(CO)c1ccccn1 7c75e7d21cbf3f1bb68a797af059f8a4 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.3 CCNC(CO)c1cccnc1 1611098aa815e5f3bafc4941a732cc5c [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.3 CCNC(CO)c1ccncc1 fa7feecfc3f2ec48a823921b5334bdd1 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.3 CCN[C@@H](CC)c1ccccn1 c2e742d207a0e06763cd9384a5387e76 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.3 CCN[C@@H](CC)c1ccncc1 ec2d00a048bef655edcca69146cce022 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,2,0,0,0,0|1,0,0]=3 1337 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,2,0,0,0,0|1,0,0]=3 1338 B12R1.3 CCN[C@@H](CO)c1cccnc1 b65190046efd29122e4a14e052d5a8a3 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.3 CCN[C@H](CC)c1ccccn1 2dbd84955b60e7af57981642eed8719d [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.3 CCN[C@H](CO)c1cccnc1 38d2f9781b2db206eb43cce912c664e2 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.3 CCN[C@H](CO)c1ccncc1 b2ba922e90c1ed40b231b487e8a29113 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,2,0,0,0,0|0,0,2]=4 1345 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,2,0,0,0,0|1,0,0]=3 1346 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,2,0,0,0,0|0,0,2]=4 1348 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,2,0,0,0,0|1,0,0]=3 1349 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,2,0,0,0,0|1,0,0]=3 1351 B12R1.3 CC[C@@H](NC=O)c1ccccc1 ebbf73246fa5e055d14598ff73ee74b9 [0,2,0,0,0,0|1,0,1]=4 1352 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.3 CC[C@@H](NCF)c1ccccn1 10677ba56a17a7bcc6c8818a24cccc80 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.3 CC[C@@H](NCO)c1ccccn1 a746d9485bf61fd67aed410025514b7c [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,2,0,0,0,0|1,0,0]=3 1357 B12R1.3 CC[C@H](NC=O)c1ccccc1 5b95454d2846027c7fee198531e3fbcd [0,2,0,0,0,0|1,0,1]=4 1358 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,2,0,0,0,0|1,0,0]=3 1359 B12R1.3 CC[C@H](NCF)c1ccccn1 70748b7f02b35732101746d92177e009 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.3 CC[C@H](NCF)c1ccncc1 80c3d958d92a857f6bd5be5b5e586ab9 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.3 CC[C@H](NCO)c1ccccn1 b9aba8abff04e6b3b6b4a248c7495edb [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.3 CC[C@H](NCO)c1ccncc1 ae2c34c80c5c8add8ece2f5037ec56a1 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.3 FCCN(CF)c1ccccc1 870013bb646c4a0af032a557e0685de1 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.3 FCN[C@@H](CF)c1ccccc1 7653dba4c4786a42a01c43c68d5b04cc [0,2,0,0,0,0|1,0,0]=3 1367 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,2,0,0,0,0|1,0,0]=3 1368 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,2,0,0,0,0|1,0,0]=3 1369 B12R1.3 N#CC(NCF)c1ccccc1 f98eb0c12cea160e611c8a32cf94e460 [0,2,0,0,0,0|0,0,2]=4 1370 B12R1.3 N#CC(NCO)c1ccccc1 3a25592688f62e9e2e1c0aa1965a0e6e [0,2,0,0,0,0|0,0,2]=4 1371 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,2,0,0,0,0|0,0,2]=4 1372 B12R1.3 N#CCN(CF)c1ccccc1 23b7c8ea61aa9b7d4a19ab899a7415cf [0,2,0,0,0,0|1,0,1]=4 1373 B12R1.3 N#CCN(CO)c1ccccc1 24977ebbd6adf9886104c688d69ed05d [0,2,0,0,0,0|1,0,1]=4 1374 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,2,0,0,0,0|0,0,2]=4 1375 B12R1.3 O=CNC(CO)c1ccccc1 eab85ec6bc58124fc0a34b21c2ead22e [0,2,0,0,0,0|1,0,1]=4 1376 B12R1.3 O=CN[C@@H](CF)c1ccccc1 0ff261ab74fd1bb17f257b9fa0c61993 [0,2,0,0,0,0|1,0,1]=4 1377 B12R1.3 O=CN[C@@H](CO)c1ccccc1 2914095b931483c8867faf13c06219d2 [0,2,0,0,0,0|1,0,1]=4 1378 B12R1.3 O=CN[C@H](CO)c1ccccc1 5b2542d815db0af521344638e8200526 [0,2,0,0,0,0|1,0,1]=4 1379 B12R1.3 OCC(NCF)c1ccccc1 eaf7d36725e016b8868e5ee278bca73b [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.3 OCC(NCF)c1ccccn1 6bed1c8e3a9368f4853e51f8cd064c3a [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.3 OCC(NCF)c1cccnc1 6aace6bc5258ce15f8c60ba8bc6f161a [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.3 OCC(NCF)c1ccncc1 9831ff916883a70ee548ac66db65f10a [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.3 OCCN(CO)c1ccccc1 ba6a8be47efc1ec0016eed9d3b57ce03 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.3 OCN(CCF)c1ccccc1 4f6774c80c8828d0150a0cdf480a2cd9 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.3 OCNC(CO)c1ccccc1 a3cd377c07e89cc8008c00850413e2fa [0,2,0,0,0,0|1,0,0]=3 1386 B12R1.3 OCNC(CO)c1ccccn1 b142262ac051c80247b7d90b7a9ed6e5 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.3 OCNC(CO)c1cccnc1 bf33a438ee347f0f7457f3bfdd9019db [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.3 OCNC(CO)c1ccncc1 c6fa817ce42068fb81b41813f4cf2a14 [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.3 OCN[C@@H](CF)c1ccccc1 c48dbb78e8705925b437f732da4df883 [0,2,0,0,0,0|1,0,0]=3 1390 B12R1.3 OCN[C@@H](CO)c1ccccc1 47e5ec93da6df8b6056499be137dbc47 [0,2,0,0,0,0|1,0,0]=3 1391 B12R1.3 OCN[C@@H](CO)c1cccnc1 1851bdd345aa50a3f28742cd74bcba2d [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.3 OCN[C@H](CO)c1ccccc1 a68f9bf02ebd1849a27bc4bc05035ca2 [0,2,0,0,0,0|1,0,0]=3 1393 B12R1.3 OCN[C@H](CO)c1cccnc1 2c03644208700645b39f92fc88c3ee2f [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.3 OCN[C@H](CO)c1ccncc1 117751597b15fa3e6b121e4d7a330da1 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.3 OC[C@@H](NCF)c1ccccc1 0ac5a4dce202f249594459f5d60bcf4f [0,2,0,0,0,0|1,0,0]=3 1396 B12R1.3 OC[C@@H](NCF)c1cccnc1 dfa00b3c04d10d9e935f08c5987d6990 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.3 OC[C@@H](NCF)c1ccncc1 5cf4a5e239683abb48caa01e6aa63a14 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.3 OC[C@H](NCF)c1ccccc1 590aacd64b7799646c86138b9bcd2be8 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.3 OC[C@H](NCF)c1cccnc1 8634d21714f26f15203f3b2deb24c556 [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.12 CCN(CC)c1ccc(cc1)C c612c057fef47b52c489959a7dfea2da [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.12 CCN(CC)c1ccc(cc1)F 808c9830441596fbaaebad45efdd35d1 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.12 CCN(CF)c1ccc(cc1)Br 9e406a562612e0654fa8cf4724ea7f32 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.12 CCN(CF)c1ccc(cc1)C 497133c7d33382f6ad45732e446045f0 [0,2,0,0,0,0|2,0,0]=4 1404 B12R1.12 CCN(CF)c1ccc(cc1)F 8811927ab5d51afe373bbced291a69b7 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.13 CCN(CC)c1cccc(c1)Br 2f591c99eb595375d8bc1fb2a9455a44 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.13 CCN(CC)c1cccc(c1)F 1612a8108c027fe8ced6cd18fac67730 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.13 CCN(CF)c1cccc(c1)Br 0beef7a63c7e78248ed8f65042f3264e [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.13 CCN(CF)c1cccc(c1)Cl a063cdf6dbec2009a13a3a27f27d3184 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.13 CCN(CF)c1cccc(c1)F 00494da242ed8c05c74df41b2bc8289b [0,2,0,0,0,0|2,0,0]=4 1410 B12R1.13 CCN(CO)c1cccc(c1)Br 49746d53646e2fa10cdb4761a0a666c0 [0,2,0,0,0,0|2,0,0]=4 1411 B12R1.13 CCN(CO)c1cccc(c1)F 105e4373ca7e83835dff5bbc4b7bdf24 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.16 C#CCN(C)c1ccc(cc1)Br 9b1015c58f919f516efac1ff01195f44 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.16 C#CCN(C)c1ccc(cc1)C 2ce01b199d51e24c59e3f824aee01921 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.16 C#CCN(C)c1ccc(cc1)Cl e885413776c5ff08872f8cabee76d4ca [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.16 C#CCN(C)c1ccc(cc1)F d658a765bd799582dbe8c12a7bb2f5e2 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.16 C#CCN(C)c1ccc(cc1)I 3e7d61dd62ce5642d0d0e0119f1b7032 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.16 C#CCN(C)c1ccc(cc1)S 289362028618b883f45c7be055094fa1 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.16 C=CCN(C)c1ccc(cc1)Br 0f962247116e092c1b399484166ccf60 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.16 C=CCN(C)c1ccc(cc1)C f5ade8376799a16a02cb89f83a85e6c0 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 96e8ed0df6368814e7763049eb1baa9f [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.16 C=CCN(C)c1ccc(cc1)F 7a862f3dbe88231930f96da7250091a5 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.16 C=CCN(C)c1ccc(cc1)I 2821acf7aaf4013581c1365bc190257b [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.16 C=CCN(C)c1ccc(cc1)S 5f5645310da21e2beba1a033523459c6 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.16 CC(NC#N)c1ccc(cc1)F 9baef143f786d148605e366765ab0810 [0,2,0,0,0,0|0,0,2]=4 1425 B12R1.16 CC(NC=O)c1ccc(cc1)Br cec71a2e12deb71965cf35d5a231fc60 [0,2,0,0,0,0|1,0,1]=4 1426 B12R1.16 CC(NC=O)c1ccc(cc1)Cl 62e65df99c635fd0849e029d2b9d82e7 [0,2,0,0,0,0|1,0,1]=4 1427 B12R1.16 CC(NC=O)c1ccc(cc1)F 0f9fe39f998705faa24ec3c466127abc [0,2,0,0,0,0|1,0,1]=4 1428 B12R1.16 CC(NC=O)c1ccc(cc1)I d1de771e1351186285cef45bafc743a8 [0,2,0,0,0,0|1,0,1]=4 1429 B12R1.16 CC(NC=O)c1ccc(cc1)O 780ccb482900816d5583401c25a067a8 [0,2,0,0,0,0|1,0,1]=4 1430 B12R1.16 CC(NCF)c1ccc(cc1)F e3184fa4c42ae84d1c9ef936216c69a2 [0,2,0,0,0,0|1,0,0]=3 1431 B12R1.16 CC(NCF)c1ccc(cc1)I f2151bf5edf37061e6e1092a8c2147a8 [0,2,0,0,0,0|1,0,0]=3 1432 B12R1.16 CC(NCF)c1ccc(cn1)Cl 47e65d2bbac148729e3fc0d7edc63734 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.16 CC(NCF)c1ccc(cn1)F d056d6a1c2dd8ce7fc8836a63ea3bf53 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.16 CC(NCF)c1ccc(nc1)Cl 0a0aa076b3f5413f3c7c35690d5c2d76 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.16 CC(NCF)c1ccc(nc1)F 9405e905dbe0dcf1b3ce45d63e920501 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.16 CC(NCO)c1ccc(cc1)Br e264284758536dfc8fd891f61c9a75cc [0,2,0,0,0,0|1,0,0]=3 1437 B12R1.16 CC(NCO)c1ccc(cc1)Cl 50ceb9a6f3e8c24248339e2481d8c9af [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.16 CC(NCO)c1ccc(cc1)F 23a029e032bb878119d4a3308cec3264 [0,2,0,0,0,0|1,0,0]=3 1439 B12R1.16 CC(NCO)c1ccc(cc1)I 5b775b5cd3bc6f45567774a49e261411 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.16 CC(NCO)c1ccc(cn1)Br 716a5b826ecc6e3bda6128879c75410e [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.16 CC(NCO)c1ccc(cn1)Cl 01d92ac18b87f7ab788ece321e2a59b8 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.16 CC(NCO)c1ccc(cn1)F 357bad0a70866eafe2f91270772a041a [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.16 CC(NCO)c1ccc(nc1)Cl 5b71e3ed43d4288d22193639ae701e7f [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.16 CC(NCO)c1ccc(nc1)F b274d47eada08398a458007f432b1507 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.16 CC(OCF)c1ccc(cc1)Br 236b3907feecec97ec17720249b19928 [0,2,0,0,0,0|1,0,0]=3 1446 B12R1.16 CC(OCF)c1ccc(cc1)Cl 83333c6b37c7786b1791b8fe58d88452 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.16 CC(OCF)c1ccc(cc1)F 8c37a0b4d137a61dd127c7f36d203962 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.16 CC(OCF)c1ccc(cc1)I bdda7360c180e4619e05145b589292de [0,2,0,0,0,0|1,0,0]=3 1449 B12R1.16 CC(OCF)c1ccc(cn1)Cl 23d0be7b0419ee4360fa0054e3ca7d8f [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.16 CC(OCF)c1ccc(cn1)F b9a6293c32b48c82eeac2a6d40ff5e85 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.16 CC(OCF)c1ccc(nc1)Cl f3969ae7967958bd646dae06f4e8824c [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.16 CC(OCF)c1ccc(nc1)F 5f6acaa50ef15ded6c5487dc05f562e1 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.16 CCCN(C)c1ccc(cc1)Br e61bdd8a108f27231a2f1e4f464a0449 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.16 CCCN(C)c1ccc(cc1)Cl 8843e79cc118a8b39cb7a4677c22e893 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.16 CCCN(C)c1ccc(cc1)F b2f2c1c375300f70a9f9d3af7ea22019 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.16 CCCN(C)c1ccc(cc1)I b6bdb6a0f5c52c6e29ef784cbc5fe7ee [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.16 CCCN(C)c1ccc(cc1)S ed9ea5c5681310eb4dd3a9ca34a4baf1 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.16 CCNC(C)c1ccc(cc1)C a50a292b0f9ab98a935a045bf6f5df18 [0,2,0,0,0,0|1,0,0]=3 1459 B12R1.16 CCNC(C)c1ccc(cc1)F 90b07bc2b2295f4c41db42242c518735 [0,2,0,0,0,0|1,0,0]=3 1460 B12R1.16 CCNC(C)c1ccc(cc1)I 08a361f82931829d0267b9a6741fe60a [0,2,0,0,0,0|1,0,0]=3 1461 B12R1.16 CCNC(C)c1ccc(cn1)C 7582b34058d0f19ca08d4776c6092ae6 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.16 CCNC(C)c1ccc(cn1)Cl 27c991b0f89dfe1cce36d9d68cd40ab5 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.16 CCNC(C)c1ccc(cn1)F 7ea87963b5657184f4504bf5dd0e1125 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.16 CCNC(C)c1ccc(nc1)C 80240cb538b58165965ecaa9c78afec2 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.16 CCNC(C)c1ccc(nc1)Cl c96d717ee98ef07f5a9cee9293a58b72 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.16 CCNC(C)c1ccc(nc1)F b9c43d1045d7a2d38a4eba49d07e3f67 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C 0ed8e55d6183d258b51cdca6296060eb [0,2,0,0,0,0|1,0,0]=3 1468 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 1cdeff47614cd0408e972403b21ec1f4 [0,2,0,0,0,0|1,0,0]=3 1469 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I d8251c0e8ba76150b133d569aa22ac48 [0,2,0,0,0,0|1,0,0]=3 1470 B12R1.16 CCN[C@@H](C)c1ccc(cn1)Cl cb2a0c73e3f4c5076256e0a5299658b8 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.16 CCN[C@@H](C)c1ccc(cn1)F 878f6be3785d875a5231875d36b787ad [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.16 CCN[C@@H](C)c1ccc(nc1)C 8633f2fb71f4c8b42ce378ceb1b78ae2 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.16 CCN[C@@H](C)c1ccc(nc1)Cl 1d8f7935f7e15b1aca2b1403df443ad5 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 156165d95a1b59d54961645431890c7a [0,2,0,0,0,0|1,0,0]=3 1475 B12R1.16 CCN[C@H](C)c1ccc(cc1)F ae87029077c5b327ded4690eccde6389 [0,2,0,0,0,0|1,0,0]=3 1476 B12R1.16 CCN[C@H](C)c1ccc(cc1)I 2a878af2411beb0b90eb41ee2af406ec [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.16 CCN[C@H](C)c1ccc(cn1)C 9176b80f2623f562fbfb7c8e68a6653f [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.16 CCN[C@H](C)c1ccc(nc1)C 4ce1ce2efd35559ffdeb293db8293165 [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.16 CCN[C@H](C)c1ccc(nc1)Cl bacdc5b213e0fcd547efdb85a18a3b7c [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.16 CCOC(C)c1ccc(cc1)Br 982b0de4fe585ef0ed4de9a2ad175c76 [0,2,0,0,0,0|1,0,0]=3 1481 B12R1.16 CCOC(C)c1ccc(cc1)C 396c60b3d54a12f6e40154fa61bed9a2 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.16 CCOC(C)c1ccc(cc1)Cl f3e42c6226de75401fcbe78959e283b4 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.16 CCOC(C)c1ccc(cc1)F aa2360b399b3a087ca1f4c68307ca7f9 [0,2,0,0,0,0|1,0,0]=3 1484 B12R1.16 CCOC(C)c1ccc(cc1)I df7946fcea9073fd52039fd14b542186 [0,2,0,0,0,0|1,0,0]=3 1485 B12R1.16 CCOC(C)c1ccc(cn1)C 02dda4a55432f0b1eb0f6877ebf0e6f2 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.16 CCOC(C)c1ccc(cn1)Cl a3bc45856657deb07b5eec56773abf74 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.16 CCOC(C)c1ccc(cn1)F aed7e17ccf9557f8c1d9bf0adb0a3472 [0,2,0,0,0,0|2,0,0]=4 1488 B12R1.16 CCOC(C)c1ccc(nc1)C 3682fa812228a33fcb267066adb5661b [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.16 CCOC(C)c1ccc(nc1)Cl 513604a48a9cd9c919d40ce2079cde4a [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.16 CCOC(C)c1ccc(nc1)F 03fd8abf716de40087b07cb83cd93d3e [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Br baebd2a419f28b0a8d634bb2e1beabd2 [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.16 CCO[C@@H](C)c1ccc(cc1)C 4b30f3a8366a8fb2f9c8e9aab05e6a26 [0,2,0,0,0,0|1,0,0]=3 1493 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl b58e0ece298e7501aaf1b8b3f7a60aa4 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.16 CCO[C@@H](C)c1ccc(cc1)F 4ecc8dc42f537f03870cfcf5e10780d9 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.16 CCO[C@@H](C)c1ccc(cc1)I c1b200e42035110d73ed51b5e0160363 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.16 CCO[C@@H](C)c1ccc(nc1)Cl 123ebbdce6ac15c0af894eb187aeb5e4 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.16 CCO[C@H](C)c1ccc(cc1)Br ad3a9b113cf467bd3633b78e4753cf67 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 2b0a96f73189e636184d743f74d1f9b2 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.16 CCO[C@H](C)c1ccc(cc1)Cl 733a1736cadd5d822b040a3bf9e6e663 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.16 CCO[C@H](C)c1ccc(cc1)F b784fadab1e81279e11581819d36414a [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.16 CCO[C@H](C)c1ccc(cc1)I 1b18a984c01fe648b9af7b33a1359669 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.16 CCO[C@H](C)c1ccc(cn1)F d0f466c073da58a3a4ae9e3fbc880001 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.16 CCO[C@H](C)c1ccc(nc1)Cl 9141c0ac876285c7e84a26f3727f6e0b [0,2,0,0,0,0|2,0,0]=4 1504 B12R1.16 CN(CC#N)c1ccc(cc1)Br 928988a416c479676aeac718a0f51ede [0,2,0,0,0,0|1,0,1]=4 1505 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 56dbe933e7b99e867641e13bd205e475 [0,2,0,0,0,0|1,0,1]=4 1506 B12R1.16 CN(CC#N)c1ccc(cc1)F 1bcd95b07a0676d595370654f537d7f3 [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.16 CN(CC#N)c1ccc(cc1)I 190b58659abbfbf871081e6b981cd68b [0,2,0,0,0,0|1,0,1]=4 1508 B12R1.16 CN(CC#N)c1ccc(cc1)S 2b74f4c46f2c69b34e6fce0d4b7b4b37 [0,2,0,0,0,0|1,0,1]=4 1509 B12R1.16 CN(CC=O)c1ccc(cc1)Br b2253658ebf9495bf3aa8a66ce8004e3 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 6f82cfc4c98b3d8f1fdea20562a0c1da [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.16 CN(CC=O)c1ccc(cc1)F 3dd0cfee2af7b819e09eac9c0710d924 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.16 CN(CC=O)c1ccc(cc1)I f8ce3023c5b408882a0ecb66a733e0a5 [0,2,0,0,0,0|2,0,0]=4 1513 B12R1.16 CN(CC=O)c1ccc(cc1)S 67c6f66320a72c9c50fce3815233c732 [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.16 CN(CCF)c1ccc(cc1)Br 822558f1ba369b6f99edf8db7845cca0 [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.16 CN(CCF)c1ccc(cc1)Cl cf5d167dc50dc94d37e643c35cd673ee [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.16 CN(CCF)c1ccc(cc1)F bfa2dad64eb734bf9a45a9aa83b5bdcb [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.16 CN(CCF)c1ccc(cc1)I 4437dd8850c053cde1fe0f16dcb300d9 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.16 CN(CCF)c1ccc(cc1)S f374de2366c8e8d89127c310dc39d02e [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.16 CN(CCO)c1ccc(cc1)F 5b0804e8d676760fc0cf47e7aff03c16 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.16 CN(CCO)c1ccc(cc1)I 2fb77c962cd3219ae72876e08c3e5a94 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.16 CN(CCO)c1ccc(cc1)S 9089b70beb90b73f4598074855976a7c [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.16 CN(CCS)c1ccc(cc1)Br 489ac502c3dea07c4fa90f816fd3f097 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.16 CN(CCS)c1ccc(cc1)Cl 846e4400d279cfb0a90d194758cf1a57 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.16 CN(CCS)c1ccc(cc1)F d7f1b06c18d4f6bb0d61ffd689652208 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.16 CN(CCS)c1ccc(cc1)I fbd10d703de3a180071b8336256d895c [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.16 CN(CCS)c1ccc(cc1)S 16504f40226b9f16c1cbdbcb9b0fb164 [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.16 COCN(C)c1ccc(cc1)Br 5c3d79f8c883333efa3e489e535b8121 [0,2,0,0,0,0|2,0,0]=4 1528 B12R1.16 COCN(C)c1ccc(cc1)C 260a9b4be5f588be4c5cb528cb614c98 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.16 COCN(C)c1ccc(cc1)Cl 414d21cc2de4691930f611c0fc20992c [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.16 COCN(C)c1ccc(cc1)F 1014ccace74e2a32c2b4daac55daf6ce [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.16 COCN(C)c1ccc(cc1)I fa26c64233841ba8e1240eb81e88c955 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.16 COCN(C)c1ccc(cc1)S 780cd73c99e79417e165649842ab3742 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.16 CSCN(C)c1ccc(cc1)Br bb70e9c062394c04a8b3a95ef61fd0f1 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.16 CSCN(C)c1ccc(cc1)C 4795340d58f6ab15f6b51f3965e940df [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.16 CSCN(C)c1ccc(cc1)Cl ed7b121c4e32ac4e8ef90b5ef10dbf54 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.16 CSCN(C)c1ccc(cc1)F ac19d1d5c40a194c4232c5721c0b70f9 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.16 CSCN(C)c1ccc(cc1)I 17db1b2626f4f373d290e9cef040215c [0,2,0,0,0,0|2,0,0]=4 1538 B12R1.16 CSCN(C)c1ccc(cc1)S f36f517d4ebd372f801e64a425b8a1d3 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Br d8cd2d0f202e812d46c79a98bbb605a5 [0,2,0,0,0,0|1,0,1]=4 1540 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Cl f8ea50f9bfe9365c99981d786edec9ea [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)F 364ed9bf4d394113c9a722efda88774d [0,2,0,0,0,0|1,0,1]=4 1542 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)I 6943534d6332bfef5b4540520bab5a4e [0,2,0,0,0,0|1,0,1]=4 1543 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)O 8ddca235e244438dd47aa40b48c86cd2 [0,2,0,0,0,0|1,0,1]=4 1544 B12R1.16 C[C@@H](NCF)c1ccc(cc1)F 2c2720ca35eedaa74ba98bd126a7b434 [0,2,0,0,0,0|1,0,0]=3 1545 B12R1.16 C[C@@H](NCF)c1ccc(cc1)I 63e69ab8ae3622f8a20bb2d4249ee750 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.16 C[C@@H](NCF)c1ccc(nc1)Cl 29e22d5bc8f91d336b3dc64cfa31ebf6 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Br c6b6a70a9b2dd44f9426c662be2d9c9c [0,2,0,0,0,0|1,0,0]=3 1548 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Cl 277abe0b1b70407116a774272f8f041f [0,2,0,0,0,0|1,0,0]=3 1549 B12R1.16 C[C@@H](NCO)c1ccc(cc1)F 3ccc055b9e8bf808e9a760cdb1260a44 [0,2,0,0,0,0|1,0,0]=3 1550 B12R1.16 C[C@@H](NCO)c1ccc(cc1)I 2ef404df7004faa0f0c6fdd986814320 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.16 C[C@@H](NCO)c1ccc(cn1)Br 880f72b495747140fda463fee7c1fb53 [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.16 C[C@@H](NCO)c1ccc(nc1)Cl 358d960326c341b7d783e4a5e9fb24f8 [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Br a559ccb2f0b3df3219b286e8b79a2f55 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Cl 6d6b455e74677e915c3fb0b91a4e0c0d [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.16 C[C@@H](OCF)c1ccc(cc1)F 10dabee5a34917a287411d72a32ff354 [0,2,0,0,0,0|1,0,0]=3 1556 B12R1.16 C[C@@H](OCF)c1ccc(cc1)I 2c2f78576465480dc40f2fc0df0c2a0e [0,2,0,0,0,0|1,0,0]=3 1557 B12R1.16 C[C@@H](OCF)c1ccc(cn1)F fe87cc84ea9b4c566c0e67e736286dc4 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.16 C[C@@H](OCF)c1ccc(nc1)Cl f2ecd21fb02c1e2e8a1e0a62f1c3fa48 [0,2,0,0,0,0|2,0,0]=4 1559 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Br 2b80ae29ecdd4076f4f5249ff743ea74 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Cl 6cedc228bdb04fde67af32200068cea2 [0,2,0,0,0,0|1,0,1]=4 1561 B12R1.16 C[C@H](NC=O)c1ccc(cc1)F daf6ac4c823126d2fbb6db18061b56cc [0,2,0,0,0,0|1,0,1]=4 1562 B12R1.16 C[C@H](NC=O)c1ccc(cc1)I 65b879518ec9b87f725b84c739a60426 [0,2,0,0,0,0|1,0,1]=4 1563 B12R1.16 C[C@H](NC=O)c1ccc(cc1)O 89da72b6ae407036db86e3fe7542cc39 [0,2,0,0,0,0|1,0,1]=4 1564 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 8349596821e8c5f0a9f3ecaa613ee363 [0,2,0,0,0,0|1,0,0]=3 1565 B12R1.16 C[C@H](NCF)c1ccc(cc1)I d016577ede5e80390b1cac6bf8279b8b [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.16 C[C@H](NCF)c1ccc(cn1)Cl 19e360a521160b6472479dc9a646bbd6 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.16 C[C@H](NCF)c1ccc(cn1)F 12efe59ea33e6e0f78f6b396dc8b3b8c [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.16 C[C@H](NCF)c1ccc(nc1)Cl 975ebf47d83b8a8f5b63e0721833668e [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.16 C[C@H](NCO)c1ccc(cc1)Br c112b1ab773d0ee6c20418ed7c378e51 [0,2,0,0,0,0|1,0,0]=3 1570 B12R1.16 C[C@H](NCO)c1ccc(cc1)Cl 8aca1f606b786514917b510d66c1fab5 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.16 C[C@H](NCO)c1ccc(cc1)F 223505081048da9ae4e8d6a9b94d01a9 [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.16 C[C@H](NCO)c1ccc(cc1)I a08bb1bb1f3e3d6214e12b19fda00f9d [0,2,0,0,0,0|1,0,0]=3 1573 B12R1.16 C[C@H](NCO)c1ccc(cn1)Br 81127c90c0e6a796e57f984979295e0e [0,2,0,0,0,0|2,0,0]=4 1574 B12R1.16 C[C@H](NCO)c1ccc(cn1)Cl b11d24def764c7eebc8315f0b73ff44b [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.16 C[C@H](NCO)c1ccc(cn1)F d9653656d737dab8d4f200ced80fcb91 [0,2,0,0,0,0|2,0,0]=4 1576 B12R1.16 C[C@H](NCO)c1ccc(nc1)Cl 4616028d795d162df82202e6a1f5c483 [0,2,0,0,0,0|2,0,0]=4 1577 B12R1.16 C[C@H](OCF)c1ccc(cc1)Br 7aabaa75140816c96ee3928e62b15dd9 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 4e81ce6cd9d962c868d57129bdae2a9e [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.16 C[C@H](OCF)c1ccc(cc1)F 289cf3b0de93cb59c2ff0b7ab2420e05 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.16 C[C@H](OCF)c1ccc(cc1)I 65c70a6662e664ad837470f8fd4fa259 [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.16 C[C@H](OCF)c1ccc(nc1)Cl e92b5c860888069f7cb520ea33ee336c [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.16 Cc1ccc(cc1)C(C)NC=O 4445dae333f700acf8229460410d7a46 [0,2,0,0,0,0|1,0,1]=4 1583 B12R1.16 Cc1ccc(cc1)C(C)NCF 1d5731703f4077c8ef67df98d3c94f4e [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.16 Cc1ccc(cc1)C(C)NCO 6e45f6689dbe224a21e83db0dd19e6de [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.16 Cc1ccc(cc1)C(C)OCF e9d60b83476771ae90e246ba316a36fb [0,2,0,0,0,0|1,0,0]=3 1586 B12R1.16 Cc1ccc(cc1)N(C)CC#N 10456e59bb547ebd63d1a132a4cf58b3 [0,2,0,0,0,0|1,0,1]=4 1587 B12R1.16 Cc1ccc(cc1)N(C)CC=O f338b4b27d8d005a35695138d65e3bf4 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.16 Cc1ccc(cc1)N(C)CCO 39042d771df47b8469e33261b483f64a [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.16 Cc1ccc(cc1)N(C)CCS 2d7f2cfe06740aa0e23780f43bb310ae [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.16 Cc1ccc(cc1)[C@@H](C)NC=O 5f78b07bded280584507dffb0d576dae [0,2,0,0,0,0|1,0,1]=4 1591 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 0a0cd8cc9b79ef2fcf8f9739269f827c [0,2,0,0,0,0|1,0,0]=3 1592 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCO 6ad3623e107a53b7c7c6d36133d94314 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 13a5bd08c8932589c6d7751c4d108245 [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.16 Cc1ccc(cc1)[C@H](C)NC=O ea7c4fbe59767ff43724e5251e9552d4 [0,2,0,0,0,0|1,0,1]=4 1595 B12R1.16 Cc1ccc(cc1)[C@H](C)NCF 2390ee34e9a21252d067df59327a8866 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.16 Cc1ccc(cc1)[C@H](C)NCO 3620253068391a97254572594e674572 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.16 Cc1ccc(cc1)[C@H](C)OCF 0f88a2e92752d13fef78fe01f4ed8f81 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.16 Cc1ccc(cn1)C(C)NCF 59a95b7c0dcdd9e2f4ab58b64e427df5 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.16 Cc1ccc(cn1)[C@@H](C)NCF 0b0c4a836dba43a70dc09a0dd3aa01d2 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.16 Cc1ccc(cn1)[C@H](C)NCF fc556d46765e9dbb9a3387c1594ceabf [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.16 Cc1ccc(nc1)C(C)NCF f8f7b43ffa2c4ca9e67d11b209578545 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.16 Cc1ccc(nc1)C(C)NCO 815a59a3482ead3c1d64cff523afb224 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.16 Cc1ccc(nc1)[C@@H](C)NCF f2228dd1776df3b304c798043ecfe589 [0,2,0,0,0,0|2,0,0]=4 1604 B12R1.16 Cc1ccc(nc1)[C@@H](C)NCO 01421659ca0f80eae84f14754c4597b0 [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.17 C#CCN(C)c1cccc(c1)Br 1b8976bb43f045148b0c1c446ff7d944 [0,2,0,0,0,0|2,0,0]=4 1606 B12R1.17 C#CCN(C)c1cccc(c1)C 9521fa826ff639f2694d0200f95ed1c6 [0,2,0,0,0,0|2,0,0]=4 1607 B12R1.17 C#CCN(C)c1cccc(c1)Cl 9d03938f89eac097c33583b93353be43 [0,2,0,0,0,0|2,0,0]=4 1608 B12R1.17 C#CCN(C)c1cccc(c1)F 47c5a0fcdd6e9e85daac253d307cea6b [0,2,0,0,0,0|2,0,0]=4 1609 B12R1.17 C#CCN(C)c1cccc(c1)I 4559703825b394efc0444e43df3dc362 [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.17 C=CCN(C)c1cccc(c1)Br 208d11e7e77be4b3bfe71ee8b2914f01 [0,2,0,0,0,0|2,0,0]=4 1611 B12R1.17 C=CCN(C)c1cccc(c1)C 82493503f7868e233a8e1c13e06aa26f [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.17 C=CCN(C)c1cccc(c1)Cl 9cfc093e92494ec1a0d3e5ab22edf8be [0,2,0,0,0,0|2,0,0]=4 1613 B12R1.17 C=CCN(C)c1cccc(c1)F e602343eb174a39d39c38a56805e75ab [0,2,0,0,0,0|2,0,0]=4 1614 B12R1.17 C=CCN(C)c1cccc(c1)I 5d25c621d67ed452aa99f39011a4957f [0,2,0,0,0,0|2,0,0]=4 1615 B12R1.17 C=CCN(C)c1cccc(c1)O b2f2ef5ecbd5593bb729a5e0e49d0c58 [0,2,0,0,0,0|2,0,0]=4 1616 B12R1.17 C=CCN(C)c1cccc(c1)S 9e6f9b745e3bdf602c9dd60a2e096983 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.17 CC(NC#N)c1cccc(c1)Cl 3bda30ca5c387462bfe11f25ad29b733 [0,2,0,0,0,0|0,0,2]=4 1618 B12R1.17 CC(NC#N)c1cccc(c1)F fb62a8e9caec6ecbd6517dc88168746e [0,2,0,0,0,0|0,0,2]=4 1619 B12R1.17 CC(NC=O)c1cccc(c1)Br 097d75d4e414cf41a004bcc82a8470d6 [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.17 CC(NC=O)c1cccc(c1)Cl d77dc28070cdddd314b9cb5faee6a2da [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.17 CC(NC=O)c1cccc(c1)F b0d58d69768f99597ae969e0072a905b [0,2,0,0,0,0|1,0,1]=4 1622 B12R1.17 CC(NC=O)c1cccc(c1)O 2c8a8b6d99b918ad5a3f4b13f5fefc68 [0,2,0,0,0,0|1,0,1]=4 1623 B12R1.17 CC(NCF)c1cc(ccn1)Cl 818c2b9aaa2f9888dccc50d7f6f7ca88 [0,2,0,0,0,0|2,0,0]=4 1624 B12R1.17 CC(NCF)c1cccc(c1)Br a2bf6ac8599b4fdc533428a0a167007b [0,2,0,0,0,0|1,0,0]=3 1625 B12R1.17 CC(NCF)c1cccc(c1)Cl 4c7f84cd6c39a51029b777465c7d6c95 [0,2,0,0,0,0|1,0,0]=3 1626 B12R1.17 CC(NCF)c1cccc(c1)F 9494b4cbaacf534daa070aaa11205da8 [0,2,0,0,0,0|1,0,0]=3 1627 B12R1.17 CC(NCF)c1cccc(n1)Br a07da82a782f0abb3e8aa95159c665ee [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.17 CC(NCF)c1cccc(n1)Cl fbed5a3ecc9f2d4ddb9c504011e049ae [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.17 CC(NCF)c1cccc(n1)F 5ff08c5a26dedce7998399a17ec76310 [0,2,0,0,0,0|2,0,0]=4 1630 B12R1.17 CC(NCF)c1cncc(c1)F 9693816b4855a6c8732fdfdce04f373c [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.17 CC(NCO)c1cc(ccn1)Cl b7e140075399d0d9549172dda681de21 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.17 CC(NCO)c1cccc(c1)Br 922e64f914a2d632d7487974626feb20 [0,2,0,0,0,0|1,0,0]=3 1633 B12R1.17 CC(NCO)c1cccc(c1)Cl 73fe839960baaaa01e59634dd685dbb1 [0,2,0,0,0,0|1,0,0]=3 1634 B12R1.17 CC(NCO)c1cccc(c1)F f0652a3f82e27702014e62d0566a1de9 [0,2,0,0,0,0|1,0,0]=3 1635 B12R1.17 CC(NCO)c1cccc(n1)Br 330bc7041ccb88e2d9dcc16c0a1671e3 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.17 CC(NCO)c1cccc(n1)Cl c8b87a739cf63b5fe7468946f39b4c1a [0,2,0,0,0,0|2,0,0]=4 1637 B12R1.17 CC(NCO)c1cccc(n1)F 2d93ae8191cbd761fd34e84a1a330079 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.17 CC(NCO)c1cncc(c1)Br ea12ec63c4233d96cefb053126293636 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.17 CC(NCO)c1cncc(c1)F 97b619b76552b230a356051d0aa3d1d5 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.17 CC(OCF)c1cc(ccn1)Br 9b58b8eb2fa31b6d055a75c0af6e4b34 [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.17 CC(OCF)c1cc(ccn1)Cl 151a673cd71521a3dcdd80e97333dbbb [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.17 CC(OCF)c1cccc(c1)Br 01ca5a07dd81c7a95fe1bcc746ec9e7d [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.17 CC(OCF)c1cccc(c1)Cl 779988336410abd4eac123ce57f5e2f3 [0,2,0,0,0,0|1,0,0]=3 1644 B12R1.17 CC(OCF)c1cccc(c1)F b9dd2c50cb926ad35e251041562dcc7e [0,2,0,0,0,0|1,0,0]=3 1645 B12R1.17 CC(OCF)c1cccc(c1)I 47eaf0683a1d125a502deea14ce1bd87 [0,2,0,0,0,0|1,0,0]=3 1646 B12R1.17 CC(OCF)c1cccc(n1)F a6abbaeb781750d2bde6298bd0ce8591 [0,2,0,0,0,0|2,0,0]=4 1647 B12R1.17 CC(OCF)c1ccnc(c1)Br 8c69b24d60db513c6a5eee7cd9c60baf [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.17 CC(OCF)c1ccnc(c1)Cl 55cb6354088a08746e3398cda4635527 [0,2,0,0,0,0|2,0,0]=4 1649 B12R1.17 CC(OCF)c1cncc(c1)Cl 0e131d1025d8c407a8694d131e96836f [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.17 CC(OCF)c1cncc(c1)F 86fef78d1838c4e380537be37bfcc23c [0,2,0,0,0,0|2,0,0]=4 1651 B12R1.17 CCCN(C)c1cccc(c1)Br 7eb75a8250f95c9697df4917ec6489ae [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.17 CCCN(C)c1cccc(c1)Cl 07e726c51710591c3cf839ae947b1a42 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.17 CCCN(C)c1cccc(c1)F af9295ec07040c2649b20d250b5d0681 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.17 CCCN(C)c1cccc(c1)I 91e551f84de58d84b25877bbf8b8f4e6 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.17 CCNC(C)c1cc(ccn1)C 1f94d2a14f726f2428ecc36f9ffe69a1 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.17 CCNC(C)c1cc(ccn1)Cl a992ccb35ff8fd73a86df25718cf32cd [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.17 CCNC(C)c1cccc(c1)Br e6c9fd584e7feb4e758a650f51e22ccc [0,2,0,0,0,0|1,0,0]=3 1658 B12R1.17 CCNC(C)c1cccc(c1)C db8e6428335d8b366ee39d6e277943db [0,2,0,0,0,0|1,0,0]=3 1659 B12R1.17 CCNC(C)c1cccc(c1)Cl 51c25d2dceca4ad868198756d2f3ea90 [0,2,0,0,0,0|1,0,0]=3 1660 B12R1.17 CCNC(C)c1cccc(c1)F 6a89435cbf3436c2764f23c876d831b5 [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.17 CCNC(C)c1cccc(n1)Br 10e156865ccfdfe6a38badab6cd7b131 [0,2,0,0,0,0|2,0,0]=4 1662 B12R1.17 CCNC(C)c1cccc(n1)C c1de50a89d1e47eeaf8c39ac465c5417 [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.17 CCNC(C)c1cccc(n1)Cl 059aec13aacc3af4f9e8187a6fa63a2c [0,2,0,0,0,0|2,0,0]=4 1664 B12R1.17 CCNC(C)c1cccc(n1)F 520cb338cf21a3c3a1fc3835411a9927 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.17 CCNC(C)c1ccnc(c1)C 7bd12feee6d3020d1cf79db57fc84664 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.17 CCNC(C)c1cncc(c1)F 21009179f1a3b5aa51a0b19f09793acd [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.17 CCN[C@@H](C)c1cccc(c1)Br 6882c062be643e6f1479c43382a1f97e [0,2,0,0,0,0|1,0,0]=3 1668 B12R1.17 CCN[C@@H](C)c1cccc(c1)C ad1678c586d84563b274dd5bcfd4c65b [0,2,0,0,0,0|1,0,0]=3 1669 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl 85c185ae290690f3266862442a2473d8 [0,2,0,0,0,0|1,0,0]=3 1670 B12R1.17 CCN[C@@H](C)c1cccc(c1)F 0dedb0b66bba28f84038e5ae70474542 [0,2,0,0,0,0|1,0,0]=3 1671 B12R1.17 CCN[C@@H](C)c1cccc(c1)I e0c90057fd046352ca9827408e1c3425 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.17 CCN[C@@H](C)c1cccc(n1)Br 5b56083d1aaf9811dbde5ebfc87691e3 [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.17 CCN[C@@H](C)c1cccc(n1)C 96979970b630776922d0e71f65967eb9 [0,2,0,0,0,0|2,0,0]=4 1674 B12R1.17 CCN[C@@H](C)c1ccnc(c1)C df1530a23431a84682dd600d85a63391 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.17 CCN[C@@H](C)c1ccnc(c1)Cl dcd9a4fdeaa8306a6df60bc7ca12081a [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.17 CCN[C@@H](C)c1cncc(c1)Cl b401bc887d927f830d9bb05572ac16a0 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.17 CCN[C@@H](C)c1cncc(c1)F 4f3d9a5cc06a4db565a76ebf3263450a [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.17 CCN[C@H](C)c1cccc(c1)Br 5c6dbc44b6f3f8ec6a8c3fa96245bb1d [0,2,0,0,0,0|1,0,0]=3 1679 B12R1.17 CCN[C@H](C)c1cccc(c1)C bb6f09b8be3dec841bef80f5325226bf [0,2,0,0,0,0|1,0,0]=3 1680 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl 07473dd26a362400745fd7b6b88adc2a [0,2,0,0,0,0|1,0,0]=3 1681 B12R1.17 CCN[C@H](C)c1cccc(c1)F e235faf6f177090ebbe131406ad51bf5 [0,2,0,0,0,0|1,0,0]=3 1682 B12R1.17 CCN[C@H](C)c1cccc(n1)Br 3fdbd9f85516688afe2b7f8811654f26 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.17 CCN[C@H](C)c1ccnc(c1)Br a17ae4bfaa117723f54c7193cd5b3449 [0,2,0,0,0,0|2,0,0]=4 1684 B12R1.17 CCN[C@H](C)c1ccnc(c1)C 5560da2e9aa57d6b97253f0269dce767 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.17 CCN[C@H](C)c1ccnc(c1)Cl fa565aa88134a678e7b22d247775bdf8 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.17 CCN[C@H](C)c1cncc(c1)Cl ac7676bed51c4a4dc48ab035d4aef7d6 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.17 CCOC(C)c1cc(ccn1)Br 6b71f13d2997d8f9b2de5f99177fb2bf [0,2,0,0,0,0|2,0,0]=4 1688 B12R1.17 CCOC(C)c1cc(ccn1)C 076bc8afc76015d2cb361cf7255c0012 [0,2,0,0,0,0|2,0,0]=4 1689 B12R1.17 CCOC(C)c1cc(ccn1)Cl bbb2f7852a335754be8e7937f7d2eace [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.17 CCOC(C)c1cccc(c1)Br 42ca494baf4aa0a38e9fb3366b773268 [0,2,0,0,0,0|1,0,0]=3 1691 B12R1.17 CCOC(C)c1cccc(c1)C 77489ca20b0c159fdffd29d1744d738a [0,2,0,0,0,0|1,0,0]=3 1692 B12R1.17 CCOC(C)c1cccc(c1)Cl d76065522f99861b8f31d7f88c32d628 [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.17 CCOC(C)c1cccc(c1)F 724570a61f9c9797e61dce1db0386846 [0,2,0,0,0,0|1,0,0]=3 1694 B12R1.17 CCOC(C)c1cccc(c1)I d454d6b1d8844d9b454c0363645bbb70 [0,2,0,0,0,0|1,0,0]=3 1695 B12R1.17 CCOC(C)c1cccc(n1)Br 14d6c4cc42250a34d9f6f4e59d7d5cc9 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.17 CCOC(C)c1cccc(n1)C 2309eb9b1e8048a4f7d5de22b3c0cc8e [0,2,0,0,0,0|2,0,0]=4 1697 B12R1.17 CCOC(C)c1cccc(n1)F a693f89002c5084658be0ce90f1810ff [0,2,0,0,0,0|2,0,0]=4 1698 B12R1.17 CCOC(C)c1ccnc(c1)Br f47ca24ece6b9f508486e0c358087e50 [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.17 CCOC(C)c1ccnc(c1)C 36f7eb4d13acaad51a6aafe9e6f4daba [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.17 CCOC(C)c1ccnc(c1)Cl 585f687a7648e69416e9b3d7fdc6ae69 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.17 CCOC(C)c1cncc(c1)Cl b4776e8ad85105121bec5d01d4958ee4 [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.17 CCOC(C)c1cncc(c1)F 8c42fc6131de3f014072e1968ec8a7e4 [0,2,0,0,0,0|2,0,0]=4 1703 B12R1.17 CCO[C@@H](C)c1cccc(c1)Br a6bcaa4e35963ce1794b8e13e8f20ac9 [0,2,0,0,0,0|1,0,0]=3 1704 B12R1.17 CCO[C@@H](C)c1cccc(c1)C 33dd0e36ecc47e9d30382124af23bb72 [0,2,0,0,0,0|1,0,0]=3 1705 B12R1.17 CCO[C@@H](C)c1cccc(c1)Cl a0cb09592617352d4e52595d42a99fc5 [0,2,0,0,0,0|1,0,0]=3 1706 B12R1.17 CCO[C@@H](C)c1cccc(c1)F dc0d46b451aae28446975dff011877bb [0,2,0,0,0,0|1,0,0]=3 1707 B12R1.17 CCO[C@H](C)c1cc(ccn1)C b8bf25f46ac19845c170f83379aba18c [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.17 CCO[C@H](C)c1cccc(c1)Br b1e5cf473b6a64a7764f8f222a9041d3 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.17 CCO[C@H](C)c1cccc(c1)C f495253381fbba7e8b85f8c69e274296 [0,2,0,0,0,0|1,0,0]=3 1710 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 0ea8aa6694bd99a0876fd9dc9ea2a396 [0,2,0,0,0,0|1,0,0]=3 1711 B12R1.17 CCO[C@H](C)c1cccc(c1)F e6c9bbadd74036f7f872059480f0031e [0,2,0,0,0,0|1,0,0]=3 1712 B12R1.17 CCO[C@H](C)c1cccc(n1)Br 02fa82bb1e619255a1f77019279a9dbd [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.17 CCO[C@H](C)c1cccc(n1)C 17759eb69fecf54b3ee196ad49b0176d [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.17 CN(CC#N)c1cccc(c1)Br 7315b9bb707ef68aa59fbc031b0235f0 [0,2,0,0,0,0|1,0,1]=4 1715 B12R1.17 CN(CC#N)c1cccc(c1)Cl f5bfa881ed6ab27644ef90d29a45d0da [0,2,0,0,0,0|1,0,1]=4 1716 B12R1.17 CN(CC#N)c1cccc(c1)F f662f438c2f9687b39d7eca3adca1118 [0,2,0,0,0,0|1,0,1]=4 1717 B12R1.17 CN(CC#N)c1cccc(c1)I b4dca846dd4daa18bc2a4b91d690b3af [0,2,0,0,0,0|1,0,1]=4 1718 B12R1.17 CN(CC=O)c1cccc(c1)Br 6db038b0abc52891849cdfa23da9524d [0,2,0,0,0,0|2,0,0]=4 1719 B12R1.17 CN(CC=O)c1cccc(c1)Cl 80cca0a463dc60d932fa8da323377a65 [0,2,0,0,0,0|2,0,0]=4 1720 B12R1.17 CN(CC=O)c1cccc(c1)F e2880487ef33602948b78c5deaf912ac [0,2,0,0,0,0|2,0,0]=4 1721 B12R1.17 CN(CC=O)c1cccc(c1)I 06861d7736167c00077e2ca78d0f942d [0,2,0,0,0,0|2,0,0]=4 1722 B12R1.17 CN(CCF)c1cccc(c1)Br 1eaf9c4181adbd967212440571b63008 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.17 CN(CCF)c1cccc(c1)Cl cbcb7740d169c0c913c076593b480cfc [0,2,0,0,0,0|2,0,0]=4 1724 B12R1.17 CN(CCF)c1cccc(c1)F 83c9da60dd03b3b5da8cd4ae59ee58f0 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.17 CN(CCF)c1cccc(c1)I e41371a3eeade0126ef6a01f975e53c8 [0,2,0,0,0,0|2,0,0]=4 1726 B12R1.17 CN(CCO)c1cccc(c1)Br 20c2812752b1ce00e3d71fccb80c7aa1 [0,2,0,0,0,0|2,0,0]=4 1727 B12R1.17 CN(CCO)c1cccc(c1)Cl 88465db1fd69d56d6deff614fef03275 [0,2,0,0,0,0|2,0,0]=4 1728 B12R1.17 CN(CCO)c1cccc(c1)F a8bbe18437d5b67c291304f6e51174e1 [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.17 CN(CCO)c1cccc(c1)I d744b91b919c38643f6814695e418d73 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.17 CN(CCS)c1cccc(c1)Br 6276545855ec60555b5ea66978905a02 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.17 CN(CCS)c1cccc(c1)Cl d6af42fa463d9692229bcb79ff28abc9 [0,2,0,0,0,0|2,0,0]=4 1732 B12R1.17 CN(CCS)c1cccc(c1)F 322e8c9340cbb2f9afbd3b83b310b4aa [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.17 CN(CCS)c1cccc(c1)I c5da5a4c1631eccf7f5ec6f9a07b4855 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.17 COCN(C)c1cccc(c1)Br a0b6a01e8a8e903112d08a0ad1b791c6 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.17 COCN(C)c1cccc(c1)C 2630b7af0f24b4920d1bb44ad2a618b8 [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.17 COCN(C)c1cccc(c1)Cl c412e0aedf878ea54434f0cf1a2ff9d0 [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.17 COCN(C)c1cccc(c1)F 1625ecf140c7f5483d83bb16cd4a78c2 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.17 COCN(C)c1cccc(c1)I 783d0176762cb36e227b85f37b36850b [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.17 CSCN(C)c1cccc(c1)Br 795a330043d197d455a0dbb4dd1faaeb [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.17 CSCN(C)c1cccc(c1)C 188b9968f6619e59b627ae3886714e8c [0,2,0,0,0,0|2,0,0]=4 1741 B12R1.17 CSCN(C)c1cccc(c1)Cl efd04b0516ef59374bbc13602c9800ea [0,2,0,0,0,0|2,0,0]=4 1742 B12R1.17 CSCN(C)c1cccc(c1)F e8614a48c46dd0af03a86d07738bdaa7 [0,2,0,0,0,0|2,0,0]=4 1743 B12R1.17 CSCN(C)c1cccc(c1)I 255d6996cb175d8309fe361d85d8aa1e [0,2,0,0,0,0|2,0,0]=4 1744 B12R1.17 C[C@@H](NC=O)c1cccc(c1)Br a183672b7c61cc3a3878e0c98ffa9d85 [0,2,0,0,0,0|1,0,1]=4 1745 B12R1.17 C[C@@H](NC=O)c1cccc(c1)Cl 8e52f0b299c9ead061d7fa130456a44a [0,2,0,0,0,0|1,0,1]=4 1746 B12R1.17 C[C@@H](NC=O)c1cccc(c1)F a7562fcb2b9d022817fc067b9234eb27 [0,2,0,0,0,0|1,0,1]=4 1747 B12R1.17 C[C@@H](NC=O)c1cccc(c1)O bb164cc9a9d0db21437c3f39f1bc5b59 [0,2,0,0,0,0|1,0,1]=4 1748 B12R1.17 C[C@@H](NCF)c1cccc(c1)Br b6f8c9bd09110a695ab69e835a11528f [0,2,0,0,0,0|1,0,0]=3 1749 B12R1.17 C[C@@H](NCF)c1cccc(c1)Cl 51273893323908f404d0771452cfa891 [0,2,0,0,0,0|1,0,0]=3 1750 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 8e7cfaa12936ce28fa901d54b1a42650 [0,2,0,0,0,0|1,0,0]=3 1751 B12R1.17 C[C@@H](NCF)c1cccc(n1)Br e77c80c3088e1568493dbe597c13a9e2 [0,2,0,0,0,0|2,0,0]=4 1752 B12R1.17 C[C@@H](NCF)c1ccnc(c1)Br b677c42480667ef091b6b776d6a2fdec [0,2,0,0,0,0|2,0,0]=4 1753 B12R1.17 C[C@@H](NCF)c1ccnc(c1)Cl 507d5a11a80498984aaf05dcf5fbacd3 [0,2,0,0,0,0|2,0,0]=4 1754 B12R1.17 C[C@@H](NCF)c1cncc(c1)Cl ae09575f80af251c022c43a687b47bfa [0,2,0,0,0,0|2,0,0]=4 1755 B12R1.17 C[C@@H](NCO)c1cccc(c1)Br f4e23e99bc0af39389f5e820105091c6 [0,2,0,0,0,0|1,0,0]=3 1756 B12R1.17 C[C@@H](NCO)c1cccc(c1)Cl 66919fef6442a963feb11c547bf0f444 [0,2,0,0,0,0|1,0,0]=3 1757 B12R1.17 C[C@@H](NCO)c1cccc(c1)F af0a186842d46dc3d160d1d73b074e17 [0,2,0,0,0,0|1,0,0]=3 1758 B12R1.17 C[C@@H](NCO)c1cccc(n1)Br d04f7ecde07e9686ae3f8569d61db551 [0,2,0,0,0,0|2,0,0]=4 1759 B12R1.17 C[C@@H](NCO)c1ccnc(c1)Br bf0a4f47f3e5f801fd7bc978d55c9416 [0,2,0,0,0,0|2,0,0]=4 1760 B12R1.17 C[C@@H](NCO)c1ccnc(c1)Cl 974ef1b05998a83317217ba39855c960 [0,2,0,0,0,0|2,0,0]=4 1761 B12R1.17 C[C@@H](NCO)c1cncc(c1)Br 7baf3bfccf17d6f7e82f9bbcd34dd601 [0,2,0,0,0,0|2,0,0]=4 1762 B12R1.17 C[C@@H](NCO)c1cncc(c1)Cl af81bccd4f42912f214f0e51a77d8257 [0,2,0,0,0,0|2,0,0]=4 1763 B12R1.17 C[C@@H](OCF)c1cccc(c1)Br 3635f89a50b809c06e2b3cdfa5d2c51c [0,2,0,0,0,0|1,0,0]=3 1764 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl ce1b56b0348a5f75a7d08f4ba9a2645e [0,2,0,0,0,0|1,0,0]=3 1765 B12R1.17 C[C@@H](OCF)c1cccc(c1)F db90468b8247fcc2691f8c1eae8f3170 [0,2,0,0,0,0|1,0,0]=3 1766 B12R1.17 C[C@H](NC=O)c1cccc(c1)Br d855ef663fb29eb5f3bb7898b524d921 [0,2,0,0,0,0|1,0,1]=4 1767 B12R1.17 C[C@H](NC=O)c1cccc(c1)Cl 7cef89c5bd4340a2172d87ccc457214c [0,2,0,0,0,0|1,0,1]=4 1768 B12R1.17 C[C@H](NC=O)c1cccc(c1)F a38e9085a53bff285f5340550e2da66c [0,2,0,0,0,0|1,0,1]=4 1769 B12R1.17 C[C@H](NC=O)c1cccc(c1)I 3a8b5f517440b8ad1ced902a5448d32a [0,2,0,0,0,0|1,0,1]=4 1770 B12R1.17 C[C@H](NC=O)c1cccc(c1)O ac64b60170e17222c81c7148f30e63e8 [0,2,0,0,0,0|1,0,1]=4 1771 B12R1.17 C[C@H](NCF)c1cccc(c1)Br db0a4e2e6a3386ecd680ff15bbff55b6 [0,2,0,0,0,0|1,0,0]=3 1772 B12R1.17 C[C@H](NCF)c1cccc(c1)Cl 78a93a48938be6d811aa015374bd3a25 [0,2,0,0,0,0|1,0,0]=3 1773 B12R1.17 C[C@H](NCF)c1cccc(c1)F cb191264be636045c991bc9d5d685235 [0,2,0,0,0,0|1,0,0]=3 1774 B12R1.17 C[C@H](NCF)c1cccc(c1)I 963cc0fd84e434cdb5fe81b0537c5306 [0,2,0,0,0,0|1,0,0]=3 1775 B12R1.17 C[C@H](NCF)c1cccc(n1)Br 41211a7ec232caf39e655844b0da2d01 [0,2,0,0,0,0|2,0,0]=4 1776 B12R1.17 C[C@H](NCF)c1ccnc(c1)Cl 46ae518921a161d5c0b79c90259f21ea [0,2,0,0,0,0|2,0,0]=4 1777 B12R1.17 C[C@H](NCF)c1cncc(c1)Cl c2ef22149ea5e2ec1bc4505e85734b12 [0,2,0,0,0,0|2,0,0]=4 1778 B12R1.17 C[C@H](NCF)c1cncc(c1)F 8c98f44d4a7e293a953432a40870584c [0,2,0,0,0,0|2,0,0]=4 1779 B12R1.17 C[C@H](NCO)c1cccc(c1)Br 7ca4ed875cb62977d0b3495961086da4 [0,2,0,0,0,0|1,0,0]=3 1780 B12R1.17 C[C@H](NCO)c1cccc(c1)Cl 4a94abc52fcba40074ffa13791de35e2 [0,2,0,0,0,0|1,0,0]=3 1781 B12R1.17 C[C@H](NCO)c1cccc(c1)F 26286d84a69bcd3442b2384f5cacf4e4 [0,2,0,0,0,0|1,0,0]=3 1782 B12R1.17 C[C@H](NCO)c1cccc(c1)I 427d824bfdf0564f5453d07d6cb7fc73 [0,2,0,0,0,0|1,0,0]=3 1783 B12R1.17 C[C@H](NCO)c1cccc(n1)Br 333b57939c008a15f22f1c2a8cac0fbf [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.17 C[C@H](NCO)c1ccnc(c1)Cl 85b1dd44982385cc479a33120c6f0a08 [0,2,0,0,0,0|2,0,0]=4 1785 B12R1.17 C[C@H](NCO)c1cncc(c1)Br db823556f41682991545fcc999885d61 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.17 C[C@H](NCO)c1cncc(c1)Cl 0855c4a997a7e767bd90115b6de923d9 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.17 C[C@H](NCO)c1cncc(c1)F 0c38c7d6654fb9821e73b5c7bc4e88cf [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.17 C[C@H](OCF)c1cccc(c1)Br e07701f3eb8039891a25d9669ca4f86f [0,2,0,0,0,0|1,0,0]=3 1789 B12R1.17 C[C@H](OCF)c1cccc(c1)Cl d4085536390541eae57a7cc1f385cabd [0,2,0,0,0,0|1,0,0]=3 1790 B12R1.17 C[C@H](OCF)c1cccc(c1)F c4be0bb49a60701d42d09cbffc2347d5 [0,2,0,0,0,0|1,0,0]=3 1791 B12R1.17 Cc1cc(ccn1)C(C)NCF 74271c0e64f43555e8515a9024bc8a4f [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.17 Cc1cc(ccn1)C(C)NCO 91870d5be54dc72df168e8e5ca4a33cc [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.17 Cc1cc(ccn1)C(C)OCF ec3faffe63e97f97d3d9f7573319325b [0,2,0,0,0,0|2,0,0]=4 1794 B12R1.17 Cc1cc(ccn1)[C@@H](C)NCF 170967752dfa74c73d02a937e708d93b [0,2,0,0,0,0|2,0,0]=4 1795 B12R1.17 Cc1cc(ccn1)[C@@H](C)NCO 4419bece8009b6038ed3c155b7c1d844 [0,2,0,0,0,0|2,0,0]=4 1796 B12R1.17 Cc1cc(ccn1)[C@H](C)NCF 7c5fdc6fb5f6533f6dbb3ffbf34ed875 [0,2,0,0,0,0|2,0,0]=4 1797 B12R1.17 Cc1cc(ccn1)[C@H](C)NCO 891e1f8758bc9d4a438917777f749514 [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.17 Cc1cccc(c1)C(C)NC=O 9c68d6a0cf8e9d8618e1113f06ecf91a [0,2,0,0,0,0|1,0,1]=4 1799 B12R1.17 Cc1cccc(c1)C(C)NCF 7e3116c712611fefcdfd513800603318 [0,2,0,0,0,0|1,0,0]=3 1800 B12R1.17 Cc1cccc(c1)C(C)NCO 484ffc2c296fe00c0d77539815bedf5c [0,2,0,0,0,0|1,0,0]=3 1801 B12R1.17 Cc1cccc(c1)C(C)OCF 963db7b78a9268c2604a30dfb5ebd6c7 [0,2,0,0,0,0|1,0,0]=3 1802 B12R1.17 Cc1cccc(c1)N(C)CC#N 9565aaa7b77a570accb39f22e7e31353 [0,2,0,0,0,0|1,0,1]=4 1803 B12R1.17 Cc1cccc(c1)N(C)CC=O fbf6a6e22784a7c92b503de5c31a1c8f [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.17 Cc1cccc(c1)N(C)CCO 57169823c45689d92231ab04b18b1e3d [0,2,0,0,0,0|2,0,0]=4 1805 B12R1.17 Cc1cccc(c1)[C@@H](C)NC=O da8a6aa98c97a59af144d47673921011 [0,2,0,0,0,0|1,0,1]=4 1806 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF c486091fb8f9b65be6016b6eb85006ad [0,2,0,0,0,0|1,0,0]=3 1807 B12R1.17 Cc1cccc(c1)[C@@H](C)NCO 63ebfbb9109d04da9ae1a8c4632dbbee [0,2,0,0,0,0|1,0,0]=3 1808 B12R1.17 Cc1cccc(c1)[C@@H](C)OCF 1e508f4bbd9fe6fc7b8df0aa50acdaed [0,2,0,0,0,0|1,0,0]=3 1809 B12R1.17 Cc1cccc(c1)[C@H](C)NC=O 658f60e6193e2ff5526a80211a62dc8e [0,2,0,0,0,0|1,0,1]=4 1810 B12R1.17 Cc1cccc(c1)[C@H](C)NCF 0e7eb695a786eb23f0b219255d4a875f [0,2,0,0,0,0|1,0,0]=3 1811 B12R1.17 Cc1cccc(c1)[C@H](C)NCO 815974376dfce3e8219bd556a1e15106 [0,2,0,0,0,0|1,0,0]=3 1812 B12R1.17 Cc1cccc(c1)[C@H](C)OCF 936eb812ed1a822378b352f4016df5fc [0,2,0,0,0,0|1,0,0]=3 1813 B12R1.17 Cc1cccc(n1)C(C)NCF 16e6b9c8f2baa86f85166c3aeff4cb47 [0,2,0,0,0,0|2,0,0]=4 1814 B12R1.17 Cc1cccc(n1)C(C)NCO c626a1005ccc75aa609ecac0371342da [0,2,0,0,0,0|2,0,0]=4 1815 B12R1.17 Cc1cccc(n1)[C@H](C)NCF d429f731fc3e7c7392be2c72917ab8c7 [0,2,0,0,0,0|2,0,0]=4 1816 B12R1.17 Cc1cccc(n1)[C@H](C)NCO a655850c04184eba0eba00c1972b7490 [0,2,0,0,0,0|2,0,0]=4 1817 B12R1.17 Cc1ccnc(c1)C(C)NCF af4210da19cf1fed71a8dbd49fb6fc81 [0,2,0,0,0,0|2,0,0]=4 1818 B12R1.17 Cc1ccnc(c1)C(C)NCO 72c9f40dc6e13732ac73eb2315724b7c [0,2,0,0,0,0|2,0,0]=4 1819 B12R1.17 Cc1ccnc(c1)C(C)OCF 282eae8218c4187a89aadc168d67d331 [0,2,0,0,0,0|2,0,0]=4 1820 B12R1.17 Cc1ccnc(c1)[C@@H](C)OCF 2b352a2a804cfa5729074356011fa357 [0,2,0,0,0,0|2,0,0]=4 1821 B12R1.30 C#CCCN(C)c1ccccc1 26c0497305b10abd73ca8cb441cc00c7 [0,2,0,0,0,0|2,0,0]=4 1822 B12R1.30 C#CCNC(C)c1ccccc1 8ed5828c2e258c30367c2a46a0344f1e [0,2,0,0,0,0|1,0,0]=3 1823 B12R1.30 C#CCNC(C)c1ccccn1 4298989a128b5a6841bac7e23a0354aa [0,2,0,0,0,0|2,0,0]=4 1824 B12R1.30 C#CCNC(C)c1cccnc1 6ebe0dd03d736579935a567552ceea44 [0,2,0,0,0,0|2,0,0]=4 1825 B12R1.30 C#CCNC(C)c1ccncc1 104668a9ea4f40854c97edbd8d393f60 [0,2,0,0,0,0|2,0,0]=4 1826 B12R1.30 C#CCN[C@@H](C)c1ccccc1 c2e57a43b39094fb9cc8c5d89eda2aec [0,2,0,0,0,0|1,0,0]=3 1827 B12R1.30 C#CCN[C@@H](C)c1ccccn1 341a7b97c54032ef6cc5876956ea059f [0,2,0,0,0,0|2,0,0]=4 1828 B12R1.30 C#CCN[C@@H](C)c1cccnc1 8f573fe768361e3d7c0a88b9dea1ffc9 [0,2,0,0,0,0|2,0,0]=4 1829 B12R1.30 C#CCN[C@@H](C)c1ccncc1 c319a4179f5e36f7701e5fb020357b77 [0,2,0,0,0,0|2,0,0]=4 1830 B12R1.30 C#CCN[C@H](C)c1ccccc1 0027d86dcd1350148f8559798567d252 [0,2,0,0,0,0|1,0,0]=3 1831 B12R1.30 C#CCN[C@H](C)c1ccccn1 6dc8aa600cebb97d8f32894292c6e305 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.30 C#CCN[C@H](C)c1cccnc1 2610035a3d9c472ce43c3e6cfb235316 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.30 C#CCN[C@H](C)c1ccncc1 4828225d1ab8b3f66ed7eeeced04658f [0,2,0,0,0,0|2,0,0]=4 1834 B12R1.30 C#CCOC(C)c1ccccc1 29a457d91187748bd9fba937b2dce22a [0,2,0,0,0,0|1,0,0]=3 1835 B12R1.30 C#CCOC(C)c1ccccn1 8def24808c4348444663c62ba62bb945 [0,2,0,0,0,0|2,0,0]=4 1836 B12R1.30 C#CCOC(C)c1cccnc1 1031bae6a744c2674fe153a0be096d49 [0,2,0,0,0,0|2,0,0]=4 1837 B12R1.30 C#CCOC(C)c1ccncc1 45ce7fe3b8085f843f87873e2662af3c [0,2,0,0,0,0|2,0,0]=4 1838 B12R1.30 C#CCO[C@@H](C)c1ccccc1 a17750258d0bbb03a82d71c12a4ef66f [0,2,0,0,0,0|1,0,0]=3 1839 B12R1.30 C#CCO[C@@H](C)c1ccccn1 a1f8da7c5d8064f757b9140efba40b08 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.30 C#CCO[C@@H](C)c1cccnc1 e275418fc7e164614e3ca31d756e8f27 [0,2,0,0,0,0|2,0,0]=4 1841 B12R1.30 C#CCO[C@@H](C)c1ccncc1 70d71652731d1313ac31291597a39a5f [0,2,0,0,0,0|2,0,0]=4 1842 B12R1.30 C#CCO[C@H](C)c1ccccc1 daa23676a75f018b9eb1a615337c3d8a [0,2,0,0,0,0|1,0,0]=3 1843 B12R1.30 C#CCO[C@H](C)c1ccccn1 daa38fa58a128af6d343fb26f391c887 [0,2,0,0,0,0|2,0,0]=4 1844 B12R1.30 C#CCO[C@H](C)c1cccnc1 ea646f6373002ec3a2c6d33539b6863c [0,2,0,0,0,0|2,0,0]=4 1845 B12R1.30 C#CCO[C@H](C)c1ccncc1 134b9b2d7c0f92c79fb88072ac09db40 [0,2,0,0,0,0|2,0,0]=4 1846 B12R1.30 C/C=C/CN(C)c1ccccc1 6aca716f56cd50a3277e1a725da6237c [0,2,0,0,0,0|2,0,0]=4 1847 B12R1.30 C/C=C\CN(C)c1ccccc1 bf0cb6abe4ab1c9a8756fb864f282d12 [0,2,0,0,0,0|2,0,0]=4 1848 B12R1.30 C=CCCN(C)c1ccccc1 a374f5bd2d62273d4657e1e6ebbd42ca [0,2,0,0,0,0|2,0,0]=4 1849 B12R1.30 C=CCNC(C)c1ccccc1 fa2a8c61f42c61d4674c5e223d49122c [0,2,0,0,0,0|1,0,0]=3 1850 B12R1.30 C=CCNC(C)c1ccccn1 c871e35924d1285dbc4ab72286e49e42 [0,2,0,0,0,0|2,0,0]=4 1851 B12R1.30 C=CCNC(C)c1cccnc1 0b32b3808df75ac1abc47e7ee443b912 [0,2,0,0,0,0|2,0,0]=4 1852 B12R1.30 C=CCNC(C)c1ccncc1 457d37e779d21093d016488114dcb381 [0,2,0,0,0,0|2,0,0]=4 1853 B12R1.30 C=CCN[C@@H](C)c1ccccc1 600f83b5cdc08e60e339b69a1a0c1bbe [0,2,0,0,0,0|1,0,0]=3 1854 B12R1.30 C=CCN[C@@H](C)c1ccccn1 0c83b227f7279b700dffa4249ee218bc [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.30 C=CCN[C@@H](C)c1cccnc1 7b67b7d420abac6de0551569def1f471 [0,2,0,0,0,0|2,0,0]=4 1856 B12R1.30 C=CCN[C@@H](C)c1ccncc1 9c49d234b6b866013cfdf56282064412 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.30 C=CCN[C@H](C)c1ccccc1 d607bf8a84d857931725e26673643b18 [0,2,0,0,0,0|1,0,0]=3 1858 B12R1.30 C=CCN[C@H](C)c1ccccn1 5725d2337792d58c3662e47d36012d96 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.30 C=CCN[C@H](C)c1cccnc1 f20826c37a4516ac6b351804865acdcc [0,2,0,0,0,0|2,0,0]=4 1860 B12R1.30 C=CCN[C@H](C)c1ccncc1 cb759c8fd44f0e712177b9f777176885 [0,2,0,0,0,0|2,0,0]=4 1861 B12R1.30 C=CCOC(C)c1ccccc1 8044d3406b23fdabe4ad5833cf2a8d4b [0,2,0,0,0,0|1,0,0]=3 1862 B12R1.30 C=CCOC(C)c1ccccn1 2c53cb9c7cda21871f7c62bd9f43124b [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.30 C=CCOC(C)c1cccnc1 6dc91bf2a16463ee0dd83725dc389eb0 [0,2,0,0,0,0|2,0,0]=4 1864 B12R1.30 C=CCOC(C)c1ccncc1 b8947c80019239dff85d8a1dbcd28cfa [0,2,0,0,0,0|2,0,0]=4 1865 B12R1.30 C=CCO[C@@H](C)c1ccccc1 a727c5edd06769bc0527d3d68934d138 [0,2,0,0,0,0|1,0,0]=3 1866 B12R1.30 C=CCO[C@@H](C)c1ccccn1 5b7bf17d4a8db0cdcc2bae4ca7709554 [0,2,0,0,0,0|2,0,0]=4 1867 B12R1.30 C=CCO[C@@H](C)c1cccnc1 f10302f12c22d21fc261424c5814c83d [0,2,0,0,0,0|2,0,0]=4 1868 B12R1.30 C=CCO[C@@H](C)c1ccncc1 2893ffb7871937e4302f2c98dc192afa [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.30 C=CCO[C@H](C)c1ccccc1 ff3f82ad85551dde7fcd068107420df1 [0,2,0,0,0,0|1,0,0]=3 1870 B12R1.30 C=CCO[C@H](C)c1ccccn1 d9e7624746bfc75b4b233508a3d3ba17 [0,2,0,0,0,0|2,0,0]=4 1871 B12R1.30 C=CCO[C@H](C)c1cccnc1 16db09e3b4a277e657db0a14a938e6cb [0,2,0,0,0,0|2,0,0]=4 1872 B12R1.30 C=CCO[C@H](C)c1ccncc1 0437400eb7314c444380e06acc5edfb1 [0,2,0,0,0,0|2,0,0]=4 1873 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [0,2,0,0,0,0|0,0,0]=2 1874 B12R1.30 CC(CNC=O)c1ccccc1 383885393da95737b5a43ceb7230b818 [0,2,0,0,0,0|0,0,0]=2 1875 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [0,2,0,0,0,0|0,0,0]=2 1876 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [0,2,0,0,0,0|0,0,0]=2 1877 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.30 CC(COCF)c1ccccn1 cadf5699bf3656449a20b6c87901461e [0,2,0,0,0,0|2,0,0]=4 1879 B12R1.30 CC(NCC#N)c1ccccc1 85ca8869c6ae0debccfd66d74dfbe1ee [0,2,0,0,0,0|0,0,1]=3 1880 B12R1.30 CC(NCC#N)c1ccccn1 a9ec91ed37d65c2c6da5622288d0690e [0,2,0,0,0,0|1,0,1]=4 1881 B12R1.30 CC(NCC#N)c1cccnc1 0278633e99d6f7c425c410780262bfe6 [0,2,0,0,0,0|1,0,1]=4 1882 B12R1.30 CC(NCC#N)c1ccncc1 7d4240ca51090bf562a18cef3eb5e5d2 [0,2,0,0,0,0|1,0,1]=4 1883 B12R1.30 CC(NCC=O)c1ccccc1 d9b90894b15660347d656ab520d55286 [0,2,0,0,0,0|1,0,0]=3 1884 B12R1.30 CC(NCC=O)c1ccccn1 e51da0a1ec816ae853b050ab1b623ea4 [0,2,0,0,0,0|2,0,0]=4 1885 B12R1.30 CC(NCC=O)c1cccnc1 ca0dede6269c513afb97e253bec5bc41 [0,2,0,0,0,0|2,0,0]=4 1886 B12R1.30 CC(NCC=O)c1ccncc1 64bd7073cb84e625f86d2e891c518f41 [0,2,0,0,0,0|2,0,0]=4 1887 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [0,2,0,0,0,0|1,0,0]=3 1888 B12R1.30 CC(NCCF)c1ccccn1 e4b3c22db6493feb1d8ba5ab52abe2b7 [0,2,0,0,0,0|2,0,0]=4 1889 B12R1.30 CC(NCCF)c1cccnc1 98453ca856fdce67138eff6b8a58632f [0,2,0,0,0,0|2,0,0]=4 1890 B12R1.30 CC(NCCF)c1ccncc1 d00a6ddb58ca2888baf35eb5f7d83ab7 [0,2,0,0,0,0|2,0,0]=4 1891 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [0,2,0,0,0,0|1,0,0]=3 1892 B12R1.30 CC(NCCO)c1ccccn1 1f2512975bc0cda2de4ebeb90f7dc4c3 [0,2,0,0,0,0|2,0,0]=4 1893 B12R1.30 CC(NCCO)c1cccnc1 835f2191033f26e623aa2f33664ce4a3 [0,2,0,0,0,0|2,0,0]=4 1894 B12R1.30 CC(NCCO)c1ccncc1 406a87a9f7a46ead1517264ef12a0a00 [0,2,0,0,0,0|2,0,0]=4 1895 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [0,2,0,0,0,0|1,0,0]=3 1896 B12R1.30 CC(NCCS)c1ccccn1 bc977812ec4257d304ab2ebe4f44b33d [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.30 CC(NCCS)c1cccnc1 b6e72c7d872edae9d7608a5511e2393b [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.30 CC(NCCS)c1ccncc1 7849a27ddacacf00980844a9b4c95f39 [0,2,0,0,0,0|2,0,0]=4 1899 B12R1.30 CC(OCC#N)c1ccccc1 1ec1dc9da1f2b2c8e841a4b7ee7f537f [0,2,0,0,0,0|0,0,1]=3 1900 B12R1.30 CC(OCC#N)c1ccccn1 55103d5613a0834edea244d4f43155f8 [0,2,0,0,0,0|1,0,1]=4 1901 B12R1.30 CC(OCC#N)c1cccnc1 132525ba6ce124699bcb8c3f526324a2 [0,2,0,0,0,0|1,0,1]=4 1902 B12R1.30 CC(OCC#N)c1ccncc1 3dd1c3ca3acf0d086b40cb16ef5f1f73 [0,2,0,0,0,0|1,0,1]=4 1903 B12R1.30 CC(OCC=O)c1ccccc1 5c4b88cbd6ba661cea0ad67f126d3e82 [0,2,0,0,0,0|1,0,0]=3 1904 B12R1.30 CC(OCC=O)c1ccccn1 5e9193ad7845d8e005dcfb3d336fa9c4 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.30 CC(OCC=O)c1cccnc1 b3097ef83a32db03fdb0e8562b127a75 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.30 CC(OCC=O)c1ccncc1 0aebbf443939188575e26bcf58e13a17 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.30 CC(OCCF)c1ccccc1 296004c8a3c297153de64ff701a708ab [0,2,0,0,0,0|1,0,0]=3 1908 B12R1.30 CC(OCCF)c1ccccn1 1e34d1fd3e0ec6ea60da54fdaef9c85f [0,2,0,0,0,0|2,0,0]=4 1909 B12R1.30 CC(OCCF)c1cccnc1 98746f7ef16d61be172e1b4730ee6c59 [0,2,0,0,0,0|2,0,0]=4 1910 B12R1.30 CC(OCCF)c1ccncc1 2fd99a52aa1b5385b3d4e118d8f00646 [0,2,0,0,0,0|2,0,0]=4 1911 B12R1.30 CC(OCCS)c1ccccc1 8a2d25daddbc7e25b5ea41349af0bdcf [0,2,0,0,0,0|1,0,0]=3 1912 B12R1.30 CC(OCCS)c1ccccn1 6fa6a7898d0d08fa2306db1213a20785 [0,2,0,0,0,0|2,0,0]=4 1913 B12R1.30 CC(OCCS)c1cccnc1 f4e3b8480b601c42b0835714b4b72018 [0,2,0,0,0,0|2,0,0]=4 1914 B12R1.30 CC(OCCS)c1ccncc1 85b5e549ddd47782d9dcd4ed95346b84 [0,2,0,0,0,0|2,0,0]=4 1915 B12R1.30 CCCCN(C)c1ccccc1 5138c426816999d109cc4a6b536acc57 [0,2,0,0,0,0|2,0,0]=4 1916 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,2,0,0,0,0|1,0,0]=3 1917 B12R1.30 CCCNC(C)c1ccccn1 cc14fd04410800b4bd6435a8ddd3bb22 [0,2,0,0,0,0|2,0,0]=4 1918 B12R1.30 CCCNC(C)c1cccnc1 ad711bb62eeb1aee43dc7dd8f93d36ef [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.30 CCCNC(C)c1ccncc1 5bbf0ec17de63181b9f984c6ee459099 [0,2,0,0,0,0|2,0,0]=4 1920 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,2,0,0,0,0|1,0,0]=3 1921 B12R1.30 CCCN[C@@H](C)c1ccccn1 03c5378eb87bcbab461643e14036da7b [0,2,0,0,0,0|2,0,0]=4 1922 B12R1.30 CCCN[C@@H](C)c1cccnc1 ebfd88cd08246c9c4c8dd5665a36e4de [0,2,0,0,0,0|2,0,0]=4 1923 B12R1.30 CCCN[C@@H](C)c1ccncc1 247a85b98e9473b8ba80ebe1aa76666d [0,2,0,0,0,0|2,0,0]=4 1924 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,2,0,0,0,0|1,0,0]=3 1925 B12R1.30 CCCN[C@H](C)c1ccccn1 b254cf125be5ff667ba0c27b98f7399e [0,2,0,0,0,0|2,0,0]=4 1926 B12R1.30 CCCN[C@H](C)c1cccnc1 336ef7d0edfb76e914cc3e6724738449 [0,2,0,0,0,0|2,0,0]=4 1927 B12R1.30 CCCN[C@H](C)c1ccncc1 c38d0e044de489d76af7664dba013771 [0,2,0,0,0,0|2,0,0]=4 1928 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [0,2,0,0,0,0|1,0,0]=3 1929 B12R1.30 CCCOC(C)c1ccccn1 b39d3fe2e04295201526414ffb8b346f [0,2,0,0,0,0|2,0,0]=4 1930 B12R1.30 CCCOC(C)c1cccnc1 b4a5c4f0d8d2d6a3dec1c8ec47f4f20f [0,2,0,0,0,0|2,0,0]=4 1931 B12R1.30 CCCOC(C)c1ccncc1 23b85e46df5ec55325d031745f8d75b2 [0,2,0,0,0,0|2,0,0]=4 1932 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [0,2,0,0,0,0|1,0,0]=3 1933 B12R1.30 CCCO[C@@H](C)c1ccccn1 180a656c513628a596211eb51193e51c [0,2,0,0,0,0|2,0,0]=4 1934 B12R1.30 CCCO[C@@H](C)c1cccnc1 a6442581c5df29535d93cb8f5fa5694f [0,2,0,0,0,0|2,0,0]=4 1935 B12R1.30 CCCO[C@@H](C)c1ccncc1 f346339788fa1f3b54ec1b08208e6598 [0,2,0,0,0,0|2,0,0]=4 1936 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [0,2,0,0,0,0|1,0,0]=3 1937 B12R1.30 CCCO[C@H](C)c1ccccn1 59ae42f1d2cbb8cb8fe36530c47f41d1 [0,2,0,0,0,0|2,0,0]=4 1938 B12R1.30 CCCO[C@H](C)c1cccnc1 fec7058011aa3e2c96cfd1d3b525aa6e [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.30 CCCO[C@H](C)c1ccncc1 cb8ccc8bc89fedd96f0e6231288da52e [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,2,0,0,0,0|1,0,1]=4 1941 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,2,0,0,0,0|0,0,0]=2 1942 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [0,2,0,0,0,0|1,0,0]=3 1943 B12R1.30 CCNCC(O)c1ccccn1 6b1c434bb8a1b8b261ec43b19c8a9bde [0,2,0,0,0,0|2,0,0]=4 1944 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [0,2,0,0,0,0|2,0,0]=4 1945 B12R1.30 CCNCC(O)c1ccncc1 3f7210030fe9a0f2bae5b80e88f85abe [0,2,0,0,0,0|2,0,0]=4 1946 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,2,0,0,0,0|0,0,0]=2 1947 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [0,2,0,0,0,0|1,0,0]=3 1948 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,2,0,0,0,0|0,0,0]=2 1949 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [0,2,0,0,0,0|1,0,0]=3 1950 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,2,0,0,0,0|1,0,0]=3 1951 B12R1.30 CCOCC(C)c1ccccn1 2d50cc0927617393348c2ce87012ad45 [0,2,0,0,0,0|2,0,0]=4 1952 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,2,0,0,0,0|1,0,0]=3 1953 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,2,0,0,0,0|1,0,0]=3 1954 B12R1.30 CN(C/C=C/Cl)c1ccccc1 a5c5c9e7990707ebd7d1846363494855 [0,2,0,0,0,0|2,0,0]=4 1955 B12R1.30 CN(C/C=C\Cl)c1ccccc1 cb8ec4d5dcd9d90c0da8eb81b2b93b42 [0,2,0,0,0,0|2,0,0]=4 1956 B12R1.30 CN(C/C=C\O)c1ccccc1 5869f46023496a4fc7e5076d759ace60 [0,2,0,0,0,0|2,0,0]=4 1957 B12R1.30 CN(CCC#N)c1ccccc1 23b443fbe6fd49c306bece79b166b6d1 [0,2,0,0,0,0|1,0,1]=4 1958 B12R1.30 CN(CCC=O)c1ccccc1 9715602a2b8ce4ca6f6ceb5c71eca01f [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.30 CN(CCCF)c1ccccc1 721389a2fe3a1bc3a7ab8adcc61dc5ff [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.30 CN(CCCO)c1ccccc1 99b9f18cd67ae7ad12fedc7e34599859 [0,2,0,0,0,0|2,0,0]=4 1961 B12R1.30 CN(CCON)c1ccccc1 94cf645c4c77140e45852773a65b7658 [0,2,0,0,0,0|1,0,0]=3 1962 B12R1.30 CN(CCON)c1ccccn1 4ad2f65b6bf22319240009e381b63f09 [0,2,0,0,0,0|2,0,0]=4 1963 B12R1.30 CN(CCON)c1cccnc1 1082a358885b552922d4f121324f5d81 [0,2,0,0,0,0|2,0,0]=4 1964 B12R1.30 COCCN(C)c1ccccc1 f88ab3abd109b8d6e952f5ff5bda6892 [0,2,0,0,0,0|2,0,0]=4 1965 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,2,0,0,0,0|1,0,0]=3 1966 B12R1.30 COCNC(C)c1ccccn1 22800b3ec5673e703cef9baf9917e3d2 [0,2,0,0,0,0|2,0,0]=4 1967 B12R1.30 COCNC(C)c1cccnc1 3b8f3215bb671696fda56e94e8674604 [0,2,0,0,0,0|2,0,0]=4 1968 B12R1.30 COCNC(C)c1ccncc1 557d89b6b89aa64ab92cee16216fefd4 [0,2,0,0,0,0|2,0,0]=4 1969 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,2,0,0,0,0|1,0,0]=3 1970 B12R1.30 COCN[C@@H](C)c1ccccn1 4145c37cf98927207d4b903c5b8dd837 [0,2,0,0,0,0|2,0,0]=4 1971 B12R1.30 COCN[C@@H](C)c1cccnc1 00ed3ee3fdd3eacbaf23a145cc56829b [0,2,0,0,0,0|2,0,0]=4 1972 B12R1.30 COCN[C@@H](C)c1ccncc1 e5771889fddafddb835b8e40a4924887 [0,2,0,0,0,0|2,0,0]=4 1973 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.30 COCN[C@H](C)c1ccccn1 2342d53c6195e8ed5385640c40678800 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.30 COCN[C@H](C)c1cccnc1 221f90621b3face8d5ddf0399a64c75b [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.30 COCN[C@H](C)c1ccncc1 e601f1926d8106e5694f3b267e229bd9 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [0,2,0,0,0,0|1,0,0]=3 1978 B12R1.30 COCOC(C)c1ccccn1 96e3f8673063db846b1328064926b8e5 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.30 COCOC(C)c1cccnc1 643684e61fedf53617fedae92fa75424 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.30 COCOC(C)c1ccncc1 e713cf3a963edba7c0b8cf8e46dda145 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [0,2,0,0,0,0|1,0,0]=3 1982 B12R1.30 COCO[C@@H](C)c1ccccn1 2377670b88698f2edbc70d4e18de68ac [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.30 COCO[C@@H](C)c1cccnc1 17fd6c5b51edf6fabed3ef2792222607 [0,2,0,0,0,0|2,0,0]=4 1984 B12R1.30 COCO[C@@H](C)c1ccncc1 1238319c035b42c93f1000c64c766fa2 [0,2,0,0,0,0|2,0,0]=4 1985 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [0,2,0,0,0,0|1,0,0]=3 1986 B12R1.30 COCO[C@H](C)c1ccccn1 458a21f21c67e992b19f7c56288b02ea [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.30 COCO[C@H](C)c1cccnc1 34e6426da9f6f855e9b1fb3a0535c51c [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.30 COCO[C@H](C)c1ccncc1 c5dbb60f43a9a1932fd8194dbc2609ff [0,2,0,0,0,0|2,0,0]=4 1989 B12R1.30 CSCCN(C)c1ccccc1 e519282dbdf6c8d213fc611d45219205 [0,2,0,0,0,0|2,0,0]=4 1990 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [0,2,0,0,0,0|1,0,0]=3 1991 B12R1.30 CSCNC(C)c1ccccn1 ddb2d3f894b38cfc3c20828a85d8aeba [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.30 CSCNC(C)c1cccnc1 2e0743aa860df3163cd3f12a82516611 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.30 CSCNC(C)c1ccncc1 bfc882e0574003d357950d811bfc98b0 [0,2,0,0,0,0|2,0,0]=4 1994 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [0,2,0,0,0,0|1,0,0]=3 1995 B12R1.30 CSCN[C@@H](C)c1ccccn1 4dfba9ca9a55cc8822f57f2605ede0af [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.30 CSCN[C@@H](C)c1cccnc1 729bc01cb93be8b0ea771ba31754f9b1 [0,2,0,0,0,0|2,0,0]=4 1997 B12R1.30 CSCN[C@@H](C)c1ccncc1 3bcd404ccd396fcd1d4069a1e2a00eaf [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.30 CSCN[C@H](C)c1ccccn1 b34c76b9aa83c7d60db5d09418063e93 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.30 CSCN[C@H](C)c1cccnc1 b29cfc0205d006d4bc36dce8931937fb [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.30 CSCN[C@H](C)c1ccncc1 9076c4b90e14f3ba1dffc47b940741d0 [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [0,2,0,0,0,0|1,0,0]=3 2003 B12R1.30 CSCOC(C)c1ccccn1 3962a04da2204a1cf7830ac87133888a [0,2,0,0,0,0|2,0,0]=4 2004 B12R1.30 CSCOC(C)c1cccnc1 506088ce45beb9c36ff46608da654d32 [0,2,0,0,0,0|2,0,0]=4 2005 B12R1.30 CSCOC(C)c1ccncc1 7ce593b87d9d6445cabbd9c7e4a9cecc [0,2,0,0,0,0|2,0,0]=4 2006 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [0,2,0,0,0,0|1,0,0]=3 2007 B12R1.30 CSCO[C@@H](C)c1ccccn1 e9e6ffeb6ad8c32ddf7c2cb22d9b25ee [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.30 CSCO[C@@H](C)c1cccnc1 6799e68b88695adbe9845652e8cf13f8 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.30 CSCO[C@@H](C)c1ccncc1 3e71fd0162eefef395d929c84a37af2d [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [0,2,0,0,0,0|1,0,0]=3 2011 B12R1.30 CSCO[C@H](C)c1ccccn1 0ecacf74edbb4be90693870fe439bf49 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.30 CSCO[C@H](C)c1cccnc1 730885ff2e1d3d49743ef910d1431b30 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.30 CSCO[C@H](C)c1ccncc1 ffb348d899af6643c368889d3ed9e037 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.30 C[C@@H](CNC=O)c1ccccc1 4fd65e091e214d9221c262810e411c80 [0,2,0,0,0,0|0,0,0]=2 2015 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [0,2,0,0,0,0|0,0,0]=2 2016 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [0,2,0,0,0,0|0,0,0]=2 2017 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [0,2,0,0,0,0|1,0,0]=3 2018 B12R1.30 C[C@@H](NCC#N)c1ccccc1 79a0e920b4d897eb15d12e8b6b71cbe9 [0,2,0,0,0,0|0,0,1]=3 2019 B12R1.30 C[C@@H](NCC#N)c1ccccn1 31e3a4f8ecfc4a47f723a987c48020d8 [0,2,0,0,0,0|1,0,1]=4 2020 B12R1.30 C[C@@H](NCC#N)c1cccnc1 b0aa1f85c57c967de6e4fdb728385c10 [0,2,0,0,0,0|1,0,1]=4 2021 B12R1.30 C[C@@H](NCC#N)c1ccncc1 02535e0fa22f1c5ec78721c5f33befa0 [0,2,0,0,0,0|1,0,1]=4 2022 B12R1.30 C[C@@H](NCC=O)c1ccccc1 de3c0d8a847d9265ee59861806469e38 [0,2,0,0,0,0|1,0,0]=3 2023 B12R1.30 C[C@@H](NCC=O)c1ccccn1 3847a7eda354f4e826d96e4c676fbe2c [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.30 C[C@@H](NCC=O)c1cccnc1 05c714ae7545358441cfe68ba338a12a [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.30 C[C@@H](NCC=O)c1ccncc1 05749d3fa13ae2238032af43db340e4a [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [0,2,0,0,0,0|1,0,0]=3 2027 B12R1.30 C[C@@H](NCCF)c1ccccn1 154a8f5306674b5b4fb86554624d8f02 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.30 C[C@@H](NCCF)c1cccnc1 12f73e5e559ab85e5122e1a81e53b390 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.30 C[C@@H](NCCF)c1ccncc1 f4597ee5de5808cd0436c64921b79837 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [0,2,0,0,0,0|1,0,0]=3 2031 B12R1.30 C[C@@H](NCCO)c1ccccn1 0a16ea94a018ff0b30ce209917ed1b9a [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.30 C[C@@H](NCCO)c1cccnc1 b66a1d2b51096a933fc11fef30758fa0 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.30 C[C@@H](NCCO)c1ccncc1 0c6f3025e3de9b3aae5ed17757ac9746 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [0,2,0,0,0,0|1,0,0]=3 2035 B12R1.30 C[C@@H](NCCS)c1ccccn1 3c328d281ac093addd2e4f5b2a08326f [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.30 C[C@@H](NCCS)c1cccnc1 cdf27954c484f85825d6a106da8327f4 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.30 C[C@@H](NCCS)c1ccncc1 564280d12a7e5487659e2ce4d5b8772c [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.30 C[C@@H](OCC#N)c1ccccc1 b7bf8cbcee7c14c575bc4d4a84868d53 [0,2,0,0,0,0|0,0,1]=3 2039 B12R1.30 C[C@@H](OCC#N)c1ccccn1 5f86adacac72585b16715679bc57ed2b [0,2,0,0,0,0|1,0,1]=4 2040 B12R1.30 C[C@@H](OCC#N)c1cccnc1 c28f0920953fb6afab433614112fd422 [0,2,0,0,0,0|1,0,1]=4 2041 B12R1.30 C[C@@H](OCC#N)c1ccncc1 62783f915f03b8155cc0ca26afbcde5c [0,2,0,0,0,0|1,0,1]=4 2042 B12R1.30 C[C@@H](OCC=O)c1ccccc1 2ac21f5d0549ec288424cc0d2265d67c [0,2,0,0,0,0|1,0,0]=3 2043 B12R1.30 C[C@@H](OCC=O)c1ccccn1 98b7f4428e1a69c9c42b110085c0725b [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.30 C[C@@H](OCC=O)c1cccnc1 bd8951b6dc711dfc03d58571a895d792 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.30 C[C@@H](OCC=O)c1ccncc1 7fc7a1d7fc23ea0f570d969235a93f56 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.30 C[C@@H](OCCF)c1ccccc1 203a44e775c1adfe6a43ad6321e3d4aa [0,2,0,0,0,0|1,0,0]=3 2047 B12R1.30 C[C@@H](OCCF)c1ccccn1 306dcb258e36cc782fdcf000c106db6f [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.30 C[C@@H](OCCF)c1cccnc1 6a3742b6aeb10bfd8630f9322804c184 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.30 C[C@@H](OCCF)c1ccncc1 9ca8f057b584d7865baf30c9804c1471 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.30 C[C@@H](OCCS)c1ccccc1 831161e77b199edd57098275b43b0190 [0,2,0,0,0,0|1,0,0]=3 2051 B12R1.30 C[C@@H](OCCS)c1ccccn1 00966c93f3a32971e22b816f853a389e [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.30 C[C@@H](OCCS)c1cccnc1 d6da99f8c2b9434d3cc09ce712188144 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.30 C[C@@H](OCCS)c1ccncc1 8b78a7064bd055cef5a899538bcf5919 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [0,2,0,0,0,0|0,0,0]=2 2055 B12R1.30 C[C@H](CNC=O)c1ccccc1 d012ad42959d735a95ee99ba7191a36d [0,2,0,0,0,0|0,0,0]=2 2056 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [0,2,0,0,0,0|0,0,0]=2 2057 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [0,2,0,0,0,0|0,0,0]=2 2058 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [0,2,0,0,0,0|1,0,0]=3 2059 B12R1.30 C[C@H](NCC#N)c1ccccc1 04ab453e311f4e57bddb16b9d73b093d [0,2,0,0,0,0|0,0,1]=3 2060 B12R1.30 C[C@H](NCC#N)c1ccccn1 bc5da37c07a0a8a477c4b315b4b99aed [0,2,0,0,0,0|1,0,1]=4 2061 B12R1.30 C[C@H](NCC#N)c1cccnc1 e7f17e5e9f316ee1aa635650165778ec [0,2,0,0,0,0|1,0,1]=4 2062 B12R1.30 C[C@H](NCC#N)c1ccncc1 c3325c6d18c04b7047f0f8ccb8e404bd [0,2,0,0,0,0|1,0,1]=4 2063 B12R1.30 C[C@H](NCC=O)c1ccccc1 a3dc214a4fba86b355b0ede6b011be4e [0,2,0,0,0,0|1,0,0]=3 2064 B12R1.30 C[C@H](NCC=O)c1ccccn1 6cfb7096cc21c976fe37a2003ccb317e [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.30 C[C@H](NCC=O)c1cccnc1 4982a853b823f7a8d46eb7656e93215a [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.30 C[C@H](NCC=O)c1ccncc1 f6f0348ab75fe4ed59fb4023467944d2 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [0,2,0,0,0,0|1,0,0]=3 2068 B12R1.30 C[C@H](NCCF)c1ccccn1 f1507c4498e0ea85ccdeaef26b852927 [0,2,0,0,0,0|2,0,0]=4 2069 B12R1.30 C[C@H](NCCF)c1cccnc1 a8765c66d7cc17b491f189e0f6d31357 [0,2,0,0,0,0|2,0,0]=4 2070 B12R1.30 C[C@H](NCCF)c1ccncc1 818b9216bea5b63acbbe621c04908250 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [0,2,0,0,0,0|1,0,0]=3 2072 B12R1.30 C[C@H](NCCO)c1ccccn1 c2fd11dd9f27b634fcee9eaeb69b256c [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.30 C[C@H](NCCO)c1cccnc1 5061f6c061f5b5de0c552bc3e5115a0f [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.30 C[C@H](NCCO)c1ccncc1 83f16c2381f34da6933a2e2726904426 [0,2,0,0,0,0|2,0,0]=4 2075 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [0,2,0,0,0,0|1,0,0]=3 2076 B12R1.30 C[C@H](NCCS)c1ccccn1 f4973bc66b9f31efb5fdc29911ab6563 [0,2,0,0,0,0|2,0,0]=4 2077 B12R1.30 C[C@H](NCCS)c1cccnc1 6cbc88044740d67f6693a909702392fa [0,2,0,0,0,0|2,0,0]=4 2078 B12R1.30 C[C@H](NCCS)c1ccncc1 be1bb3fedabbd57cd88d469223ee956b [0,2,0,0,0,0|2,0,0]=4 2079 B12R1.30 C[C@H](OCC#N)c1ccccc1 dec9f32ff56faa2d18e3e3c1709f800a [0,2,0,0,0,0|0,0,1]=3 2080 B12R1.30 C[C@H](OCC#N)c1ccccn1 e55e2c0a657d5b5f258de98653eef85d [0,2,0,0,0,0|1,0,1]=4 2081 B12R1.30 C[C@H](OCC#N)c1cccnc1 2c18bfb7f2602df76595cda4a7a02890 [0,2,0,0,0,0|1,0,1]=4 2082 B12R1.30 C[C@H](OCC#N)c1ccncc1 261721f19ec80042cecc8169126e00a2 [0,2,0,0,0,0|1,0,1]=4 2083 B12R1.30 C[C@H](OCC=O)c1ccccc1 00d569f48b2d6afec7a482be4dffe552 [0,2,0,0,0,0|1,0,0]=3 2084 B12R1.30 C[C@H](OCC=O)c1ccccn1 ff146c9da6176c3232b99f0229582805 [0,2,0,0,0,0|2,0,0]=4 2085 B12R1.30 C[C@H](OCC=O)c1cccnc1 6617dda1a7d57f98c273575fd1bc7689 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.30 C[C@H](OCC=O)c1ccncc1 53771e29745498e86d209ccadb6f9ca1 [0,2,0,0,0,0|2,0,0]=4 2087 B12R1.30 C[C@H](OCCF)c1ccccc1 c0748435be7f607898a504b3471e7402 [0,2,0,0,0,0|1,0,0]=3 2088 B12R1.30 C[C@H](OCCF)c1ccccn1 eb41a7ae9bfefe79c79492164ee8d675 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.30 C[C@H](OCCF)c1cccnc1 56b5df1d6daccd65bac8f52b25674d64 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.30 C[C@H](OCCF)c1ccncc1 3c1b0c9b96f911a2c92d45ec8c7e7146 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.30 C[C@H](OCCS)c1ccccc1 37922141bea6d1cffd84b12460e94096 [0,2,0,0,0,0|1,0,0]=3 2092 B12R1.30 C[C@H](OCCS)c1ccccn1 065ed8aaf45ef6ab5be60abd14e2bec7 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.30 C[C@H](OCCS)c1cccnc1 5d1eb8a0b2f3130d914871e9f0d962e5 [0,2,0,0,0,0|2,0,0]=4 2094 B12R1.30 C[C@H](OCCS)c1ccncc1 78167650c274e1c0818cb36619849a6d [0,2,0,0,0,0|2,0,0]=4 2095 B12R1.30 N#CNCC(=O)c1ccccc1 90502f681dd2d0607b0bf27a7287c010 [0,2,0,0,0,0|1,0,1]=4 2096 B12R1.30 N#CNCC(O)c1ccccc1 9720d365060a0fcf7ba83a373e380727 [0,2,0,0,0,0|1,0,0]=3 2097 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,2,0,0,0,0|1,0,1]=4 2098 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,2,0,0,0,0|1,0,1]=4 2099 B12R1.30 O=CNCC(=O)c1ccccc1 3d692fdbbd985de7bb8ce4ed3be15af5 [0,2,0,0,0,0|1,0,1]=4 2100 B12R1.30 O=CNCC(O)c1ccccc1 bd6972d51445a44c3965cbebc4bd5db7 [0,2,0,0,0,0|1,0,0]=3 2101 B12R1.30 O=CNCC(O)c1ccccn1 f74fbe719d6356bfc273d26f7795d584 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.30 O=CNCC(O)c1cccnc1 649ef114aa6b94c66d68f5702aa02ff0 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.30 O=CNCC(O)c1ccncc1 84598c4a8b9207c0e76a904644972bf2 [0,2,0,0,0,0|2,0,0]=4 2104 B12R1.30 O=CNC[C@@H](O)c1ccccc1 d65458916acffc3e27ffc1f7d36d329e [0,2,0,0,0,0|1,0,0]=3 2105 B12R1.30 O=CNC[C@H](O)c1ccccc1 f93baa496dc07ecacf88304e0a316c36 [0,2,0,0,0,0|1,0,0]=3 2106 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [0,2,0,0,0,0|1,0,0]=3 2107 B12R1.30 OC(CNCF)c1ccccn1 28b23d2b21264b95b0a73626d3ab73c9 [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.30 OC(CNCF)c1cccnc1 cf35ee8aac22551332adc042d29300c0 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.30 OC(CNCF)c1ccncc1 0e2adfe79ee4a1ae9e152358d2961a9a [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [0,2,0,0,0,0|1,0,0]=3 2111 B12R1.30 OCNCC(O)c1ccccn1 ec2dcb570a75423958acfe8c8ceb5bda [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.30 OCNCC(O)c1cccnc1 706b32d1f3a3c7b4480e7c94bfb1ff54 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.30 OCNCC(O)c1ccncc1 1f895db4e7084cce9c369909872cb36b [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [0,2,0,0,0,0|1,0,0]=3 2115 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [0,2,0,0,0,0|1,0,0]=3 2116 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [0,2,0,0,0,0|1,0,0]=3 2117 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [0,2,0,0,0,0|1,0,0]=3 2118 B12R1.107 C=C(Br)CN(C)c1ccccc1 06c8fb625d99bb5fbb827e22684091ba [0,2,0,0,0,0|2,0,0]=4 2119 B12R1.107 C=C(C)CN(C)c1ccccc1 892f6b3ce1ea7a9b6cd32d9e819b4a96 [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.107 CC(=O)NC(C)c1ccccc1 5ac270090224b04d6e18bd0f40247bab [0,2,0,0,0,0|1,0,1]=4 2121 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 83a412c49d00ac7737895652e0438906 [0,2,0,0,0,0|1,0,1]=4 2122 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 6af9f7af8ede42291806b12f353a29c9 [0,2,0,0,0,0|1,0,1]=4 2123 B12R1.107 CC(C)CN(C)c1ccccc1 95fef0ba310b862ee7742e989aa00371 [0,2,0,0,0,0|2,0,0]=4 2124 B12R1.107 CC(C)NC(C)c1ccccn1 7a8a49744ff2dc697705e105a4d29b31 [0,2,0,0,0,0|2,0,0]=4 2125 B12R1.107 CC(C)NC(C)c1cccnc1 f83045cb9bb475cbbd0d72c753be3dbb [0,2,0,0,0,0|2,0,0]=4 2126 B12R1.107 CC(C)NC(C)c1ccncc1 4565af1a01c9e3a5c5433e3411958097 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.107 CC(C)N[C@@H](C)c1ccccn1 5a8182a5c2834a1b8d14a1d525ca73eb [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.107 CC(C)N[C@@H](C)c1cccnc1 bba252309d650ecc30069f3dddd1b105 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.107 CC(C)N[C@@H](C)c1ccncc1 775d0cb56d3dd6bc4738e2685aee9f6a [0,2,0,0,0,0|2,0,0]=4 2130 B12R1.107 CC(C)N[C@H](C)c1ccccn1 8a594a7c5da3e31c163d1068dcac9471 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.107 CC(C)N[C@H](C)c1cccnc1 ce94c3a37523dd9db9b3b4f768ea9506 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.107 CC(C)N[C@H](C)c1ccncc1 a8f7ac5675fa91c5d895f344e2b2bc66 [0,2,0,0,0,0|2,0,0]=4 2133 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [0,2,0,0,0,0|1,0,0]=3 2134 B12R1.107 CC(C)OC(C)c1ccccn1 e36bdb169f8c2820d6238217cf2c0c9b [0,2,0,0,0,0|2,0,0]=4 2135 B12R1.107 CC(C)OC(C)c1cccnc1 a720356d264ae2e2bd94268a34af0246 [0,2,0,0,0,0|2,0,0]=4 2136 B12R1.107 CC(C)OC(C)c1ccncc1 dff8cce62d02c112ddba22a89b06b30b [0,2,0,0,0,0|2,0,0]=4 2137 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [0,2,0,0,0,0|1,0,0]=3 2138 B12R1.107 CC(C)O[C@@H](C)c1ccccn1 6a258a3944fb55be34cbeaa329643f08 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.107 CC(C)O[C@@H](C)c1cccnc1 e078965ffd7282aede11459af9dd81de [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.107 CC(C)O[C@@H](C)c1ccncc1 a72003c25fd185808d9c1b428a24fd38 [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [0,2,0,0,0,0|1,0,0]=3 2142 B12R1.107 CC(C)O[C@H](C)c1ccccn1 328ee8bf306075f10d7c4472fab39f5c [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.107 CC(C)O[C@H](C)c1cccnc1 8b46fac7478602a39d5771164fd44ea8 [0,2,0,0,0,0|2,0,0]=4 2144 B12R1.107 CC(C)O[C@H](C)c1ccncc1 0ca354191167bd77b68c3f542b91cfff [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.107 CC(O)CN(C)c1ccccc1 f96f86be852a8f681918c1e7f925b14c [0,2,0,0,0,0|2,0,0]=4 2146 B12R1.107 CN(C)CN(C)c1cccnc1 17000ec11c79f4e844f611d67c0b548d [0,2,0,0,0,0|2,0,0]=4 2147 B12R1.107 CN(CC(=O)N)c1ccccc1 75a7fbfa9e6f8caba6a47338e3098cbb [0,2,0,0,0,0|1,0,0]=3 2148 B12R1.107 CN(CC(=O)N)c1ccccn1 3e820a4ddf4138d28fbf552f229ee1c0 [0,2,0,0,0,0|2,0,0]=4 2149 B12R1.107 CN(CC(=O)N)c1cccnc1 e8370b4d09e11178fecd7e7eec54a25a [0,2,0,0,0,0|2,0,0]=4 2150 B12R1.107 CN(CC(=O)N)c1ccncc1 2e06add487ce4c9a1f26639816f5936b [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.107 CN(CC(=O)O)c1ccccc1 858f8808a1d727235e14bdbf7ff6ac3d [0,2,0,0,0,0|2,0,0]=4 2152 B12R1.107 CN(CC(F)F)c1ccccc1 05f004b3b4c4b69f1581d75ed67c7356 [0,2,0,0,0,0|2,0,0]=4 2153 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 f433ba4cb13febaf0c3c3ea79a1db300 [0,2,0,0,0,0|1,0,1]=4 2154 B12R1.107 C[C@H](O)CN(C)c1ccccc1 623c379093f4d5c87dbfc7a6a5452bce [0,2,0,0,0,0|2,0,0]=4 2155 B12R1.308 C#CCN(C)c1ccccc1Br 942f4e14ecba2b1c5c747b84b8b128eb [0,2,0,0,0,0|2,0,0]=4 2156 B12R1.308 C#CCN(C)c1ccccc1C 2a38030e69fdc0a9e1547c71404235a7 [0,2,0,0,0,0|2,0,0]=4 2157 B12R1.308 C#CCN(C)c1ccccc1Cl 6bf9c0e33c9c2acf733271060f589c9f [0,2,0,0,0,0|2,0,0]=4 2158 B12R1.308 C#CCN(C)c1ccccc1F 96485b01f4ce8a3e422c1462d732ae78 [0,2,0,0,0,0|2,0,0]=4 2159 B12R1.308 C=CCN(C)c1ccccc1Br 8d8c3cd73d43417ec60dbf94f11e1fff [0,2,0,0,0,0|2,0,0]=4 2160 B12R1.308 C=CCN(C)c1ccccc1C 7353fa78f83b5b018caa1bddf9891ee9 [0,2,0,0,0,0|2,0,0]=4 2161 B12R1.308 C=CCN(C)c1ccccc1Cl eba94dd7934d544214fa8f22d8d450c1 [0,2,0,0,0,0|2,0,0]=4 2162 B12R1.308 C=CCN(C)c1ccccc1F c4f76da332b4a0cd84b6a4311517380c [0,2,0,0,0,0|2,0,0]=4 2163 B12R1.308 CC(NC=O)c1ccccc1Br 7de257f1f741e929b35388a5f288133c [0,2,0,0,0,0|1,0,1]=4 2164 B12R1.308 CC(NC=O)c1ccccc1Cl 5b22478d980821b1af4ef6bb00ce9913 [0,2,0,0,0,0|1,0,1]=4 2165 B12R1.308 CC(NC=O)c1ccccc1F 6de6ee4cdf3140e48d58e02c34c99749 [0,2,0,0,0,0|1,0,1]=4 2166 B12R1.308 CC(NC=O)c1ccccc1I f21f3c43c62e9347b4bdb2169f7236ad [0,2,0,0,0,0|1,0,1]=4 2167 B12R1.308 CC(NCF)c1ccccc1Cl 9e9fe0e13e013eac062b2d8b7a7dd641 [0,2,0,0,0,0|1,0,0]=3 2168 B12R1.308 CC(NCF)c1ccccc1F bc7168c780dd1f426d40f4f1ad262276 [0,2,0,0,0,0|1,0,0]=3 2169 B12R1.308 CC(NCF)c1ccncc1Br 9f6a397b26b9ad0aca51796644f54ba7 [0,2,0,0,0,0|2,0,0]=4 2170 B12R1.308 CC(NCF)c1ccncc1Cl da48e0f6d156c67df584d9927ac7356d [0,2,0,0,0,0|2,0,0]=4 2171 B12R1.308 CC(NCF)c1ccncc1F bf89d8a05d0111200d493e786741f426 [0,2,0,0,0,0|2,0,0]=4 2172 B12R1.308 CC(NCO)c1ccccc1Cl 1f0c401b4ac09588d0873e8556a15d9b [0,2,0,0,0,0|1,0,0]=3 2173 B12R1.308 CC(NCO)c1ccccc1F f8af624e28cef3667af96d9d540bf774 [0,2,0,0,0,0|1,0,0]=3 2174 B12R1.308 CC(NCO)c1ccccc1I 38352b05097a6498f9c6f5e041497e5f [0,2,0,0,0,0|1,0,0]=3 2175 B12R1.308 CC(NCO)c1cccnc1Br a25c04dcc964127b383744d3e9c579fb [0,2,0,0,0,0|2,0,0]=4 2176 B12R1.308 CC(NCO)c1ccncc1Br a6315f4413fd0172e417b489eac0e142 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.308 CC(NCO)c1ccncc1Cl 9a26ab0a60511363bf8622c177ce1a42 [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.308 CC(NCO)c1ccncc1F 20a00791a57bad276f50363e4e0e9cdd [0,2,0,0,0,0|2,0,0]=4 2179 B12R1.308 CC(OCF)c1ccncc1Cl 81a496e2e5de39a92efc1d74ec4b09d5 [0,2,0,0,0,0|2,0,0]=4 2180 B12R1.308 CC(OCF)c1ncccc1Cl c81617698da033740e3b01aa537e4ac5 [0,2,0,0,0,0|2,0,0]=4 2181 B12R1.308 CC(OCF)c1ncccc1F bb3c410c2c62cb7d92a71bb10fbd339c [0,2,0,0,0,0|2,0,0]=4 2182 B12R1.308 CCCN(C)c1ccccc1C 73001c2aed106e7b28af99b1d028c245 [0,2,0,0,0,0|2,0,0]=4 2183 B12R1.308 CCCN(C)c1ccccc1F c8eaad67375959ac89e6c1bbf087169d [0,2,0,0,0,0|2,0,0]=4 2184 B12R1.308 CCNC(C)c1ccccc1C 0883f4cb3ceebac2afc1d8b1d74757fe [0,2,0,0,0,0|1,0,0]=3 2185 B12R1.308 CCNC(C)c1ccccc1Cl e4c014f93d31b2cbe46d458b32f53e09 [0,2,0,0,0,0|1,0,0]=3 2186 B12R1.308 CCNC(C)c1ccccc1F f7d95a3361fedbbb65f99a2acb41e413 [0,2,0,0,0,0|1,0,0]=3 2187 B12R1.308 CCNC(C)c1ccccc1I 644333e054a6c1bf2e43ef800eb6ccf0 [0,2,0,0,0,0|1,0,0]=3 2188 B12R1.308 CCNC(C)c1cccnc1Br 38c83c2c5e593a4cbca841234a2ebb1d [0,2,0,0,0,0|2,0,0]=4 2189 B12R1.308 CCNC(C)c1cccnc1C 3735c330d5f4a9c269bf9b5ec6810292 [0,2,0,0,0,0|2,0,0]=4 2190 B12R1.308 CCNC(C)c1ccncc1Br 87a4d9509bb09cd3ee46ef342400b19a [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.308 CCNC(C)c1ccncc1Cl 9d604d6e34f5a177efd8de13b994db30 [0,2,0,0,0,0|2,0,0]=4 2192 B12R1.308 CCNC(C)c1ccncc1F a798ef21008a806d8b5e9e6f921e2e9b [0,2,0,0,0,0|2,0,0]=4 2193 B12R1.308 CCNC(C)c1ncccc1C bea9721c97b8db322c8138e040f13242 [0,2,0,0,0,0|2,0,0]=4 2194 B12R1.308 CCN[C@@H](C)c1ccccc1C 8d3fac06d9fd721c033cdce6debd1b11 [0,2,0,0,0,0|1,0,0]=3 2195 B12R1.308 CCN[C@@H](C)c1ccccc1Cl 099142b233a887b54f0becdabd5e841f [0,2,0,0,0,0|1,0,0]=3 2196 B12R1.308 CCN[C@@H](C)c1ccccc1F d09734bb90b2604a0ef3d53cf89c9061 [0,2,0,0,0,0|1,0,0]=3 2197 B12R1.308 CCN[C@H](C)c1ccccc1C 932b5a6a4e53b1370f118a04ec8aea7a [0,2,0,0,0,0|1,0,0]=3 2198 B12R1.308 CCN[C@H](C)c1ccccc1Cl 638f0775df6296d8f14ee24c8a8e2394 [0,2,0,0,0,0|1,0,0]=3 2199 B12R1.308 CCN[C@H](C)c1ccccc1F 769010e7a9b6e656b36dc7b095841e4f [0,2,0,0,0,0|1,0,0]=3 2200 B12R1.308 CCN[C@H](C)c1ncccc1C 5f7a6753a1990b847940bcb3092a1f8b [0,2,0,0,0,0|2,0,0]=4 2201 B12R1.308 CCOC(C)c1ccccc1Cl 41900255e15d067e87f6ea562416138f [0,2,0,0,0,0|1,0,0]=3 2202 B12R1.308 CCOC(C)c1cccnc1Br fc2c5251d9679351d2fd46ae057755dc [0,2,0,0,0,0|2,0,0]=4 2203 B12R1.308 CCOC(C)c1cccnc1C 918f38d722eb654cc10b57ed25f02f64 [0,2,0,0,0,0|2,0,0]=4 2204 B12R1.308 CCOC(C)c1cccnc1Cl e1cb54086327742dad009f9983efdcdc [0,2,0,0,0,0|2,0,0]=4 2205 B12R1.308 CCOC(C)c1ccncc1C 440298a245d6abbbb029d6a3efd4eed2 [0,2,0,0,0,0|2,0,0]=4 2206 B12R1.308 CCOC(C)c1ccncc1Cl 236d035f63c42762416af00e6828d8d5 [0,2,0,0,0,0|2,0,0]=4 2207 B12R1.308 CCOC(C)c1ncccc1C 5e7304b7717b06f58d2c2a01532b7949 [0,2,0,0,0,0|2,0,0]=4 2208 B12R1.308 CCOC(C)c1ncccc1Cl 8a12aba91d7d59821602e53e86db1156 [0,2,0,0,0,0|2,0,0]=4 2209 B12R1.308 CCOC(C)c1ncccc1F 8554c2e371756e5e9c76b5e0ef4fa286 [0,2,0,0,0,0|2,0,0]=4 2210 B12R1.308 CCO[C@@H](C)c1ccccc1Cl 0d253b912a6e6c7137bdc641619c139f [0,2,0,0,0,0|1,0,0]=3 2211 B12R1.308 CCO[C@H](C)c1ccccc1Cl fec58acae71ef20f9f3b3ae583319a6c [0,2,0,0,0,0|1,0,0]=3 2212 B12R1.308 CCO[C@H](C)c1cccnc1Cl f8fe79e213ecf5c20bc86e7607d7e3ec [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.308 CCO[C@H](C)c1ncccc1C e60884624f0f6dfee8658edd9699b311 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.308 CCO[C@H](C)c1ncccc1F 692d3cd621ee2ec5fb88eeb679804c37 [0,2,0,0,0,0|2,0,0]=4 2215 B12R1.308 CN(CC#N)c1ccccc1Br 9f64f6d2168ab982a2ec58a3182e0bfc [0,2,0,0,0,0|1,0,1]=4 2216 B12R1.308 CN(CC#N)c1ccccc1Cl f5f4a31be789864d8751960d4d45fb88 [0,2,0,0,0,0|1,0,1]=4 2217 B12R1.308 CN(CC#N)c1ccccc1F bb951cc4df0ca53ec583b32678ae1af3 [0,2,0,0,0,0|1,0,1]=4 2218 B12R1.308 CN(CC=O)c1ccccc1Br 0f2fd3bb658879d5a8b6596d1b5e87dc [0,2,0,0,0,0|2,0,0]=4 2219 B12R1.308 CN(CC=O)c1ccccc1Cl 1dd750d1d363ed762d9d2244c8019d68 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.308 CN(CC=O)c1ccccc1F 522a2e2446d57ada3524a2ff5c90eb48 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.308 CN(CCO)c1ccccc1F 37d143c16f186bf80511b9ea0982cdce [0,2,0,0,0,0|2,0,0]=4 2222 B12R1.308 CN(CCS)c1ccccc1Cl 723b6d1b97ecf7334956dea9762e0c24 [0,2,0,0,0,0|2,0,0]=4 2223 B12R1.308 CN(CCS)c1ccccc1F 1f25244699ea49bedb25c68e35e6ff38 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.308 COCN(C)c1ccccc1C f224c9bb5fe23115c7fa370ea3f6470e [0,2,0,0,0,0|2,0,0]=4 2225 B12R1.308 COCN(C)c1ccccc1Cl 1f54d711984a58c2f3926dd45ded75fe [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.308 COCN(C)c1ccccc1F 285cb5429ee8876835de9666442ca7e8 [0,2,0,0,0,0|2,0,0]=4 2227 B12R1.308 CSCN(C)c1ccccc1C 5bd84e2103680c3cc36260fd189b1fa2 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.308 CSCN(C)c1ccccc1Cl 7f57939c15a8a05ae23d364af823fa13 [0,2,0,0,0,0|2,0,0]=4 2229 B12R1.308 CSCN(C)c1ccccc1F c3f0f1779e331775f1251b24adef35a5 [0,2,0,0,0,0|2,0,0]=4 2230 B12R1.308 C[C@@H](NC=O)c1ccccc1Br 14ac92223d54c1fef8592a3a81304e23 [0,2,0,0,0,0|1,0,1]=4 2231 B12R1.308 C[C@@H](NC=O)c1ccccc1Cl 2f4bf32a9a919e775ee8bbc3adc47eba [0,2,0,0,0,0|1,0,1]=4 2232 B12R1.308 C[C@@H](NC=O)c1ccccc1F 0f572c711e99cc8a1872c777a329f37b [0,2,0,0,0,0|1,0,1]=4 2233 B12R1.308 C[C@@H](NCF)c1ccccc1Cl 51642ddac9d75373cd8664448de5d444 [0,2,0,0,0,0|1,0,0]=3 2234 B12R1.308 C[C@@H](NCF)c1ccccc1F b81aeb75f26e45e22f353f1bd6575e41 [0,2,0,0,0,0|1,0,0]=3 2235 B12R1.308 C[C@@H](NCO)c1ccccc1Cl 68a5f9299e56d3cba8de039d6c35a0ca [0,2,0,0,0,0|1,0,0]=3 2236 B12R1.308 C[C@@H](NCO)c1ccccc1F b0e26e577d860ef89a5b9152b45e88a6 [0,2,0,0,0,0|1,0,0]=3 2237 B12R1.308 C[C@@H](OCF)c1ncccc1F f973477988cd889900ff0703a932b907 [0,2,0,0,0,0|2,0,0]=4 2238 B12R1.308 C[C@H](NC=O)c1ccccc1Br 105061d16bdf78f9338f6d8caf383d6d [0,2,0,0,0,0|1,0,1]=4 2239 B12R1.308 C[C@H](NC=O)c1ccccc1Cl 30ec0d37f6a0b0a9e861642f4468c4c5 [0,2,0,0,0,0|1,0,1]=4 2240 B12R1.308 C[C@H](NC=O)c1ccccc1F 139750b141369245159fb13f5fa01ced [0,2,0,0,0,0|1,0,1]=4 2241 B12R1.308 C[C@H](NCF)c1ccccc1Cl 094e58320907c1b0aa41fb5b0fe49532 [0,2,0,0,0,0|1,0,0]=3 2242 B12R1.308 C[C@H](NCF)c1ccccc1F 46b0c636a8e762dba88dbd01f126e091 [0,2,0,0,0,0|1,0,0]=3 2243 B12R1.308 C[C@H](NCO)c1ccccc1Cl 6721150152565c45045c8d7226931c07 [0,2,0,0,0,0|1,0,0]=3 2244 B12R1.308 C[C@H](NCO)c1ccccc1F 843364a70a090624fe16305422e066fd [0,2,0,0,0,0|1,0,0]=3 2245 B12R1.308 Cc1ccccc1C(C)NC=O 3dbc5b1eca13ab889cd5b986d3a933f9 [0,2,0,0,0,0|1,0,1]=4 2246 B12R1.308 Cc1ccccc1C(C)NCF 712d68dc5be0f64eecf9aa66b715e0c2 [0,2,0,0,0,0|1,0,0]=3 2247 B12R1.308 Cc1ccccc1C(C)NCO 6c3894b72e4dae93ee5dc306d60ad36c [0,2,0,0,0,0|1,0,0]=3 2248 B12R1.308 Cc1ccccc1N(C)CC#N d89165a48f93d4e9be2c03eaee1563e1 [0,2,0,0,0,0|1,0,1]=4 2249 B12R1.308 Cc1ccccc1N(C)CC=O 1b3b7a0fcfe6e14922255a9bc05376ca [0,2,0,0,0,0|2,0,0]=4 2250 B12R1.308 Cc1ccccc1N(C)CCO 80f6861252f95d5dcf1238c7389dc7e7 [0,2,0,0,0,0|2,0,0]=4 2251 B12R1.308 Cc1ccccc1N(C)CCS c756b68f534c63c80b8d9ddc89a788c5 [0,2,0,0,0,0|2,0,0]=4 2252 B12R1.308 Cc1ccccc1[C@@H](C)NC=O 1e480558b0b49cb08fba6cc0cd3799ef [0,2,0,0,0,0|1,0,1]=4 2253 B12R1.308 Cc1ccccc1[C@@H](C)NCF 6cf924335d2b2f2d251ce6315911000f [0,2,0,0,0,0|1,0,0]=3 2254 B12R1.308 Cc1ccccc1[C@@H](C)NCO b8dd4b9d69a2c456fde4fd3e7fd35a7b [0,2,0,0,0,0|1,0,0]=3 2255 B12R1.308 Cc1ccccc1[C@H](C)NC=O 1c5a9aff2b2e566578c04adb612011c0 [0,2,0,0,0,0|1,0,1]=4 2256 B12R1.308 Cc1ccccc1[C@H](C)NCF f232a12683e4a16bb4cd1a09dc433efa [0,2,0,0,0,0|1,0,0]=3 2257 B12R1.308 Cc1ccccc1[C@H](C)NCO 7e8be47cb87e472d5897ef53423fefc4 [0,2,0,0,0,0|1,0,0]=3 2258 B12R1.308 Cc1cccnc1C(C)NCF 34acae29d3ca81774b1e40185a133392 [0,2,0,0,0,0|2,0,0]=4 2259 B12R1.308 Cc1cccnc1C(C)NCO 7afc4ac36b9225f35fe514829bc9a6e9 [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.308 Cc1cccnc1C(C)OCF ee74be027606f9db2241d0e8c3dc76d6 [0,2,0,0,0,0|2,0,0]=4 2261 B12R1.308 Cc1cccnc1[C@@H](C)NCF 53b309f30f16e0ce12e1b278f7e2dee8 [0,2,0,0,0,0|2,0,0]=4 2262 B12R1.308 Cc1cccnc1[C@@H](C)NCO 66356e6c5e78bc0832904ec05ac5f879 [0,2,0,0,0,0|2,0,0]=4 2263 B12R1.308 Cc1cccnc1[C@@H](C)OCF 6a1570c3948cf8664b2e742c96e4b696 [0,2,0,0,0,0|2,0,0]=4 2264 B12R1.308 Cc1ncccc1C(C)NCF 4db9774f9e44f324d0222d8fd64b5df7 [0,2,0,0,0,0|2,0,0]=4 2265 B12R1.308 Cc1ncccc1C(C)NCO 1faeb4276d6d218b9b44c8807b52b0a1 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.5 C#Cc1ccc(cc1)N(C)CO 61305a9e3b3e6ac419a59c5dd646ebcf [0,2,0,0,0,0|2,0,0]=4 2267 B12R1.5 CCN(C)c1ccc(cc1)C=O a0fd570706483771aa49a936d2f3cb21 [0,2,0,0,0,0|2,0,0]=4 2268 B12R1.5 CCN(C)c1ccc(cc1)CO 0442e642b28dc09b9f3aa7725617709c [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.5 CCN(C)c1ccc(cc1)NO a1b55ac79d706b4a728ba723b7fae4a6 [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.5 CCN(C)c1ccc(cc1)SC da51693642669f4ac0f642dfc3a52b8b [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.5 CN(CF)c1ccc(cc1)C=O b74eccc5ac71532d2a3bf436d8ddc0bd [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.5 CN(CF)c1ccc(cc1)CO a0d20042ca7674242a7497a515103065 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.5 CN(CO)c1ccc(cc1)C#N ee2fd06259d18fb8a0aab08c79fa574a [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.5 CN(CO)c1ccc(cc1)C=O e1f9efc4553028d81b9cd5065fa5b275 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.5 CN(CO)c1ccc(cc1)CO 5b96ff845683778ecc9957d4d3f78bea [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.5 COc1ccc(cc1)N(C)CF d39b3366aec32235dd3334b33e15739f [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.5 COc1ccc(cc1)N(C)CO bcd2162661e5844ae708a4240803596f [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.5 CSc1ccc(cc1)N(C)CF 657174a66754cb103b73779d135c77e9 [0,2,0,0,0,0|2,0,0]=4 2280 B12R1.5 CSc1ccc(cc1)N(C)CO 7392392f522a86f3fecb1588d6d5bf37 [0,2,0,0,0,0|2,0,0]=4 2281 B12R1.20 CC(C)N(C)c1ccc(cc1)S 724cc7d86a6eca1c3614ec86435eba77 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.367 CCN(C)c1ccc(c(c1)C)F e7ba2ae1a972e93ea7db2ad389c88130 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.367 CCN(C)c1ccc(c(c1)F)C d6e478ac109299ffee6e13335e43f568 [0,2,0,0,0,0|2,0,0]=4 2284 B12R1.367 CCN(C)c1ccc(c(c1)F)F 6ae91e5725ed6e76ef2553fa515262c6 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.367 CCN(C)c1ccc(c(c1)N)N 6bdbb8baad0f4ad816776320371d3741 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.367 CN(CF)c1ccc(c(c1)Cl)Br 7e0c6d2e408ec87b7e2f9b8432281e08 [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.367 CN(CF)c1ccc(c(c1)Cl)Cl ce47d0a6e6401c27ccf088db5c887a84 [0,2,0,0,0,0|2,0,0]=4 2288 B12R1.367 CN(CF)c1ccc(c(c1)Cl)F 4605a3190c2d3435e6c33b12033bf910 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.367 CN(CF)c1ccc(c(c1)Cl)I 44660db00dce5b0600a0cdc8438247db [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.367 CN(CF)c1ccc(c(c1)F)F 3c9723306ec80b6601d62ea142e08099 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.367 CN(CO)c1ccc(c(c1)Cl)Br 39e7972bf8f9186e87e93ca48c9901a5 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.367 CN(CO)c1ccc(c(c1)Cl)Cl dd0becbddfa03ba9a04b1d27011aed2a [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.367 CN(CO)c1ccc(c(c1)Cl)F b215020250f03170407259d826a6d351 [0,2,0,0,0,0|2,0,0]=4 2294 B12R1.367 CN(CO)c1ccc(c(c1)Cl)I f1deb006c1761bedc9b6cb62e18701dc [0,2,0,0,0,0|2,0,0]=4 2295 B12R1.367 CN(CO)c1ccc(c(c1)F)F 963a2738210042c216ad6f32131f0e6f [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.367 Cc1cc(ccc1Cl)N(C)CF e26df61f01fd3f7e98aa3ec6bc8d12fb [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.367 Cc1cc(ccc1Cl)N(C)CO b9b7ec3b843ec259f646154a94b6cc25 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.367 Cc1cc(ccc1F)N(C)CF 35c2c8db9f721de173b40ef70b496d27 [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.367 Cc1cc(ccc1F)N(C)CO 48ddf57377e485ee722ea09623e8cba3 [0,2,0,0,0,0|2,0,0]=4 2300 B12R1.367 Cc1ccc(cc1Cl)N(C)CF 1bfaa6a4713c45ace790da18170c2886 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.367 Cc1ccc(cc1Cl)N(C)CO d4d337287c7a8762c602946a928cdd09 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.367 Cc1ccc(cc1F)N(C)CF 8aa812fb442d2bf14ede12a7d27f8da8 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.367 Cc1ccc(cc1F)N(C)CO 50efb84d3b7c1e1a8b98c327cf4b49e7 [0,2,0,0,0,0|2,0,0]=4 2304 B12R1.1703 CCN(C)c1ccc(cc1C)C 09ccb14d22310cb85fc6bab9b38cc134 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.1703 CCN(C)c1ccc(cc1C)I 1528841140261751630959b1371ddac3 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 4ac911e985262aecdf45c279e9f55d36 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.1703 CCN(C)c1ccc(cc1F)F f8db2fb7b01a67041cf19eb6de457fda [0,2,0,0,0,0|2,0,0]=4 2308 B12R1.1703 CCN(C)c1ccc(cc1N)N 887786d883186abeecd71d9dd4b59b7d [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.1703 CN(CF)c1ccc(cc1Cl)Cl 7b5bed1039fa44fb2535d6446fde1eb1 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.1703 CN(CF)c1ccc(cc1Cl)F 8d46f2b5a5bdde0735e79093f6a59cb0 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.1703 CN(CF)c1ccc(cc1F)F 600f11e6b1cbad5d92130dca47e1a45d [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.1703 CN(CO)c1ccc(cc1Cl)Br 17bcb16f3ff9b80ad3e2f9eaafce1167 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.1703 CN(CO)c1ccc(cc1Cl)Cl bbb8e78ee5a18bd57cf0d8f46ad4a48c [0,2,0,0,0,0|2,0,0]=4 2314 B12R1.1703 CN(CO)c1ccc(cc1Cl)F 08edd6efcee5f182955d44ef92715445 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.1703 CN(CO)c1ccc(cc1F)Br 78d312d5d90facf7fa76c8df3f5339cc [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.1703 CN(CO)c1ccc(cc1F)F eca11c487e419e9b59156dca2705ebc5 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.1703 Cc1cc(ccc1N(C)CF)I c5ba7cc08926c96ca412b689d2dc79b4 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.1703 Cc1cc(ccc1N(C)CO)Br 6de8d134c287c91cf033498a8ada2f91 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.1703 Cc1cc(ccc1N(C)CO)I 3e3869132d81f649ba2ce7a7d39173c0 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.1703 Cc1ccc(c(c1)C)N(C)CF 6e69793f2b1ab50cdd55d3db2b631b2f [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.1703 Cc1ccc(c(c1)C)N(C)CO 89156e9dd8deac7ad6b81ea6bfed2e36 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.1703 Cc1ccc(c(c1)F)N(C)CF 9886fa585789eb02f4793142a7869a5b [0,2,0,0,0,0|2,0,0]=4 2323 B12R1.1703 Cc1ccc(c(c1)F)N(C)CO c3e0b36d16072fb3f4ae421e0257286d [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.24 CCN(C)c1cccc(c1Br)Cl 7826f2ebec183ccf19e22d20612cd1a9 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.24 CCN(C)c1cccc(c1F)C a503f4a96f3aa36c74211d7bdf06d4ea [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.24 CCN(C)c1cccc(c1N)N 03b3a8cfb6df1300f6a663b1a4b3b7c9 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.24 CN(CF)c1cccc(c1Br)Cl 250c603e8fff2e6d0d026041845466d5 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.24 CN(CF)c1cccc(c1Cl)Cl 80fdca13b6a87e4bdce906fba8b0bebe [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.24 CN(CF)c1cccc(c1F)Cl e77c2820dd0b9e28e8549ac93c7295f3 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.24 CN(CF)c1cccc(c1F)F 5ca279157f2cda3e774334c46b1e038e [0,2,0,0,0,0|2,0,0]=4 2331 B12R1.24 CN(CO)c1cccc(c1Br)Cl 5c123fc47d23358fcc8c928192d064c9 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.24 CN(CO)c1cccc(c1Cl)Cl b14e558314bde52d39af650b2f14bf89 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.24 CN(CO)c1cccc(c1F)Cl 12ac8f6846e51fd4325f6ab826b22dc1 [0,2,0,0,0,0|2,0,0]=4 2334 B12R1.24 CN(CO)c1cccc(c1F)F 8b0e4e99bf3c6986c5773a4b8faaf71d [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.24 Cc1c(cccc1N(C)CO)Cl 9aa698bd94dec78fc074931a261f851a [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.225 CC(C)N(C)c1cccc(c1)Br 404c236cddda68afae2a72dcb1e91c48 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.225 CC(C)N(C)c1cccc(c1)I 4d85a7a31cabd784005d5d22697530e3 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.354 CCN(C)c1cc(ccc1C)C 2951c7e51bddfe510e17da6912ae0626 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.354 CCN(C)c1cc(ccc1C)Cl 7a3e5ad8b3a16646ed021da3a31d24d9 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.354 CCN(C)c1cc(ccc1C)F c4fc4dc2e0b3b49b203700b734dca392 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.354 CCN(C)c1cc(ccc1C)O 1d7df37622b6af2a32f07849000e2f2b [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.354 CCN(C)c1cc(ccc1F)F ddbb016753942f83f818b1a9173489de [0,2,0,0,0,0|2,0,0]=4 2343 B12R1.354 CCN(C)c1cc(ccc1N)N 1f1db3a0108dcc0b6ad5fd1161e66e86 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.354 CN(CF)c1cc(ccc1Cl)Cl 9bcad630e573a007558c0b5da56306db [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.354 CN(CF)c1cc(ccc1F)F b92732c692d79190e908c022cc091965 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.354 CN(CO)c1cc(ccc1Cl)Br 4ef07d650136e7c072bbe109c60003d0 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.354 CN(CO)c1cc(ccc1Cl)Cl a4da5f5d4913cafbe1926d65f0f6fe40 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.354 CN(CO)c1cc(ccc1F)F 982c62c23c7d2be660335f83e565fdf7 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.354 Cc1ccc(cc1N(C)CF)Cl 128db4b2511e732d3ce9051dad70d2ee [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.354 Cc1ccc(cc1N(C)CF)F cb5f02549a6cfad8248d67d8025152e1 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.354 Cc1ccc(cc1N(C)CO)Cl d6c53e99ab4ddd30b078247580270ad6 [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.354 Cc1ccc(cc1N(C)CO)F cfc4454d7ef6bc9c3f6b19affd3f7bc0 [0,2,0,0,0,0|2,0,0]=4 2353 B12R1.358 CCN(C)c1cc(cc(c1)Br)C f7ee67f1b5892a3d35079abfb41f6377 [0,2,0,0,0,0|2,0,0]=4 2354 B12R1.358 CCN(C)c1cc(cc(c1)Br)Cl 339d6d94c878a305e37ee253b96a21a9 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.358 CCN(C)c1cc(cc(c1)Br)F 9f689ccd31d97909f5a533039ea6aa6b [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.358 CCN(C)c1cc(cc(c1)Cl)Cl 3eff46a65d60af5c7402aa2f3e14de9d [0,2,0,0,0,0|2,0,0]=4 2357 B12R1.358 CCN(C)c1cc(cc(c1)F)C 0580f11f8c7c350af6dd6b7a40a40f27 [0,2,0,0,0,0|2,0,0]=4 2358 B12R1.358 CCN(C)c1cc(cc(c1)F)F d504a3d1bb3228eb971e59805beddbaa [0,2,0,0,0,0|2,0,0]=4 2359 B12R1.358 CCN(C)c1cc(cc(c1)N)N d6a37a6a62a304bc1076c4f28b5d4a54 [0,2,0,0,0,0|2,0,0]=4 2360 B12R1.358 CCN(C)c1cc(cc(c1)S)F 9680bf2483a35284b4f00c13bd8c3722 [0,2,0,0,0,0|2,0,0]=4 2361 B12R1.358 CN(CF)c1cc(cc(c1)Br)Cl a3a7bbc27810c481d616797a776e63f8 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.358 CN(CF)c1cc(cc(c1)Br)F d4403ade7cb8b7f42a3a5ab48727edda [0,2,0,0,0,0|2,0,0]=4 2363 B12R1.358 CN(CF)c1cc(cc(c1)Cl)Cl a3d6dd84463047e7ce8ef41e7d628d8e [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.358 CN(CF)c1cc(cc(c1)F)F b49730932bbc81da67b4defae87ae83e [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.358 CN(CO)c1cc(cc(c1)Br)Cl ad33b8ea3b2c0578f746ad095d90a535 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.358 CN(CO)c1cc(cc(c1)Br)F 0fc932ae70916f98485f7d7f476dfcf6 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.358 CN(CO)c1cc(cc(c1)Cl)Cl 68876b231421e37bac13c49905366a6f [0,2,0,0,0,0|2,0,0]=4 2368 B12R1.358 CN(CO)c1cc(cc(c1)F)F ea069f315fe84d4f2bc184f1572c9967 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.358 Cc1cc(cc(c1)N(C)CF)Br 4d183e2b71141c5d82b6f23a4858eb44 [0,2,0,0,0,0|2,0,0]=4 2370 B12R1.358 Cc1cc(cc(c1)N(C)CF)C 739bbb231316fd9fae04ab71ae612889 [0,2,0,0,0,0|2,0,0]=4 2371 B12R1.358 Cc1cc(cc(c1)N(C)CO)Br 18ab3e85cbe26c1ed578acd562d803c9 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.358 Cc1cc(cc(c1)N(C)CO)C 8c2e1a778ade7d53fc7e06e94e289b18 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.435 C#Cc1cccc(c1)N(C)CC 1693b423a47cad812006f8039f971f55 [0,2,0,0,0,0|2,0,0]=4 2374 B12R1.435 C#Cc1cccc(c1)N(C)CF aa0304c30200df53d705ea4e76600928 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.435 C#Cc1cccc(c1)N(C)CO 0c751eac3ccda327449e480876a9deb8 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.435 C=Cc1cccc(c1)N(C)CC 714c8233b51d928ea889862c5a0f2288 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.435 CCN(C)c1cccc(c1)C#N 0c9b178fff09ad2e34391933c8cd3c47 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.435 CCN(C)c1cccc(c1)C=O 2ef7af07d9eaa31c02cf7fa95d22c099 [0,2,0,0,0,0|2,0,0]=4 2379 B12R1.435 CCN(C)c1cccc(c1)CF b1979152cb9ffeb4ad1dea1ef7840476 [0,2,0,0,0,0|2,0,0]=4 2380 B12R1.435 CCN(C)c1cccc(c1)CO c3864e8733cb7d9bbb82a8839a25343f [0,2,0,0,0,0|2,0,0]=4 2381 B12R1.435 CCN(C)c1cccc(c1)CS bce8811bbeb14d716b123505c24b446c [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.435 CCN(C)c1cccc(c1)OC 0aff2a02bfb874f95c191d1f67ddaca8 [0,2,0,0,0,0|2,0,0]=4 2383 B12R1.435 CCN(C)c1cccc(c1)ON 06a90b2e60744bf32bd0f5cea93a0c4c [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.435 CCN(C)c1cccc(c1)SC 741080eeb21fb893f243ca67d484f193 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.435 CCc1cccc(c1)N(C)CC dffef23df0dbe4f55e454978742ee400 [0,2,0,0,0,0|2,0,0]=4 2386 B12R1.435 CCc1cccc(c1)N(C)CF 1e228b1da723205ff77525b697468338 [0,2,0,0,0,0|2,0,0]=4 2387 B12R1.435 CCc1cccc(c1)N(C)CO e6cfd9dffe6373c66ebdcdfeb361783a [0,2,0,0,0,0|2,0,0]=4 2388 B12R1.435 CN(CF)c1cccc(c1)C#N cde9ed21654fb7d7bf6f7d98d28a7fa0 [0,2,0,0,0,0|2,0,0]=4 2389 B12R1.435 CN(CF)c1cccc(c1)CO 3a6df4daef291edd8aac3780daddb514 [0,2,0,0,0,0|2,0,0]=4 2390 B12R1.435 CN(CO)c1cccc(c1)C#N 4d938b71c7251b4aeafe117c2290ceca [0,2,0,0,0,0|2,0,0]=4 2391 B12R1.435 CN(CO)c1cccc(c1)CO 9aae006338f3acaab52f7cd69c5eb466 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.435 COc1cccc(c1)N(C)CF 810aaa528e097451644610d6c8ed0b75 [0,2,0,0,0,0|2,0,0]=4 2393 B12R1.435 COc1cccc(c1)N(C)CO d63dda4f9e5da02f1f21f17376aad17e [0,2,0,0,0,0|2,0,0]=4 2394 B12R1.435 CSc1cccc(c1)N(C)CF 20eee24d67c101b406f6211af8915d0b [0,2,0,0,0,0|2,0,0]=4 2395 B12R1.435 CSc1cccc(c1)N(C)CO 098a61ce5395ee4af474df03bcc6cf09 [0,2,0,0,0,0|2,0,0]=4 2396 B12R1.564 CN(c1ccccc1)C(C)(C)C e80532fb4161df898c2fab27c7c13676 [0,2,0,0,0,0|2,0,0]=4 2397 B12R1.77 C=Cc1ccccc1N(C)CC ae2b8a92e7975c44d201387facfe0b22 [0,2,0,0,0,0|2,0,0]=4 2398 B12R1.77 CCN(C)c1ccccc1C=O b61af2b44e4bec341cbb42b2de40b6a9 [0,2,0,0,0,0|2,0,0]=4 2399 B12R1.77 CCN(C)c1ccccc1CO b6d6a543cf556001b3ec947333435738 [0,2,0,0,0,0|2,0,0]=4 2400 B12R1.77 CCc1ccccc1N(C)CC 95f827fb3170324067716451f49f2dcf [0,2,0,0,0,0|2,0,0]=4 2401 B12R1.77 CN(CF)c1ccccc1C=O 86f34b36cb4ecb25585e4dc05546e5f9 [0,2,0,0,0,0|2,0,0]=4 2402 B12R1.77 CN(CF)c1ccccc1CO f65caf890ff8832a091d566fc7f1abaa [0,2,0,0,0,0|2,0,0]=4 2403 B12R1.77 CN(CO)c1ccccc1C#N 02dc2c260a7df1538f79485de2c0af4d [0,2,0,0,0,0|2,0,0]=4 2404 B12R1.77 CN(CO)c1ccccc1C=O 3a76e9c26d13fa2ac1247dbdff0b292e [0,2,0,0,0,0|2,0,0]=4 2405 B12R1.77 CN(CO)c1ccccc1CO 85d62e192bd34251a4f1fdeb99434a63 [0,2,0,0,0,0|2,0,0]=4 2406 B12R1.77 COc1ccccc1N(C)CO b8ccba502c96bb9830d13c6d7f1618df [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.3441 CCN(C)c1c(cccc1F)C 69eb1edb4ee2470735f463653c083313 [0,2,0,0,0,0|2,0,0]=4 2408 B12R1.3441 CCN(C)c1c(cccc1F)F be6bf5146fd00ecbafedd8de8f7c9540 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.3441 CN(CF)c1c(cccc1F)F 642c016ec783fa4676bc6e9836373e4d [0,2,0,0,0,0|2,0,0]=4 2410 B12R1.3441 CN(CO)c1c(cccc1F)F f5c8b02fffb01980ae31dff6e3d4350b [0,2,0,0,0,0|2,0,0]=4 2411 B12R1.3441 Cc1cccc(c1N(C)CF)C ff2c967599c897c068a5ba279892661e [0,2,0,0,0,0|2,0,0]=4 2412 B12R1.3441 Cc1cccc(c1N(C)CF)Cl ee6ed754f1a2c5b0b3d18a9f8b7ce203 [0,2,0,0,0,0|2,0,0]=4 2413 B12R1.3441 Cc1cccc(c1N(C)CF)F d7e8ad97ed47506b28ea7601c49b86e9 [0,2,0,0,0,0|2,0,0]=4 2414 B12R1.3441 Cc1cccc(c1N(C)CO)C ef34a62b3568da70f9ccd5a943617d44 [0,2,0,0,0,0|2,0,0]=4 2415 B12R1.3441 Cc1cccc(c1N(C)CO)Cl fcd0edb479a48891d38210897cdd3256 [0,2,0,0,0,0|2,0,0]=4 2416 B12R1.3441 Cc1cccc(c1N(C)CO)F 70b5cdff34c2272b14a43371ca2389dc [0,2,0,0,0,0|2,0,0]=4 2417 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [0,0,0,1,0,1|1,0,0]=3 2418 B12R2.11 CC1CC1Nc2cccnc2 e0f55178f08b4b2b54d9d876d97d2290 [0,0,0,1,0,1|2,0,0]=4 2419 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccc2 25c07123a823d9ea2969aff7da72cef4 [0,0,0,1,0,1|1,0,0]=3 2420 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccn2 fc41faec2161d9bc088f35169f0fc9e1 [0,0,0,1,0,1|2,0,0]=4 2421 B12R2.11 F[C@@H]1C[C@@H]1Nc2cccnc2 9a55f17e12e7bd55a0d9204d46e602d2 [0,0,0,1,0,1|2,0,0]=4 2422 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccncc2 e875be7aa53cc8868d0dc6f2280dccb1 [0,0,0,1,0,1|2,0,0]=4 2423 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccc2 b0efbced164dabbe532e6255951097b4 [0,0,0,1,0,1|1,0,0]=3 2424 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccn2 fc17ffe1e9ad6aa28e2159d2a121a181 [0,0,0,1,0,1|2,0,0]=4 2425 B12R2.11 F[C@@H]1C[C@H]1Nc2cccnc2 0d6be40ecda6b776d8730416c6199b26 [0,0,0,1,0,1|2,0,0]=4 2426 B12R2.11 F[C@@H]1C[C@H]1Nc2ccncc2 9a1a1d0be717c0e6f1c430f271f30434 [0,0,0,1,0,1|2,0,0]=4 2427 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccc2 e610ffc6a467ed241d6c7f91606b201b [0,0,0,1,0,1|1,0,0]=3 2428 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccn2 59b89bc513bfcbe6b29399fe485506d9 [0,0,0,1,0,1|2,0,0]=4 2429 B12R2.11 F[C@H]1C[C@@H]1Nc2cccnc2 8475542138490fb913b76b598d12ad5e [0,0,0,1,0,1|2,0,0]=4 2430 B12R2.11 F[C@H]1C[C@@H]1Nc2ccncc2 f538efd1a15bc37e881d8b371d907da9 [0,0,0,1,0,1|2,0,0]=4 2431 B12R2.27 CCN1CC1c2ccccc2 9688627107d4117581407497e721ccee [0,0,0,1,0,1|2,0,0]=4 2432 B12R2.27 CCN1C[C@@H]1c2ccccc2 c32dec6f3160b9b7bc8c2839caf72878 [0,0,0,1,0,1|2,0,0]=4 2433 B12R2.27 FCN1CC1c2ccccc2 961cd8c1338ecdce6a27ac300fedcc98 [0,0,0,1,0,1|2,0,0]=4 2434 B12R2.27 FCN1C[C@@H]1c2ccccc2 186c23a739812eaa2456c8641683ea36 [0,0,0,1,0,1|2,0,0]=4 2435 B12R2.27 OCN1CC1c2ccccc2 380946bf56a518a4f82b6f06607820f1 [0,0,0,1,0,1|2,0,0]=4 2436 B12R2.27 OCN1C[C@@H]1c2ccccc2 b0131158d23691f2ccd2899d00b705c5 [0,0,0,1,0,1|2,0,0]=4 2437 B12R2.32 CCN1Cc2ccccc2C1 20c2942768350a956e6d394a0b65e9b5 [0,0,0,1,0,1|2,0,0]=4 2438 B12R2.32 FCN1Cc2ccccc2C1 6ebe33568e88966b195306172afa5c83 [0,0,0,1,0,1|2,0,0]=4 2439 B12R2.32 OCN1Cc2ccccc2C1 67d53a903b838c41ecebb3a336e33160 [0,0,0,1,0,1|2,0,0]=4 2440 B12R2.94 CC1(CC1)Nc2cccnc2 7578bbb55e576acda721e7cce0ab0877 [0,0,0,1,0,1|2,0,0]=4 2441 B12R2.2058 c1cc(ccn1)NC2CCC2 ff52b84334e7a4aaf2d6969c56a15034 [0,0,0,1,0,1|2,0,0]=4 2442 B12R2.2058 c1cc(ccn1)NC2COC2 14d953918d7dcb02ab6c12f780d085b6 [0,0,0,1,0,1|2,0,0]=4 2443 B12R2.2058 c1cc(ccn1)OC2COC2 bdc70c71b5050b9cdb045af1479dc30f [0,0,0,1,0,1|2,0,0]=4 2444 B12R2.2058 c1ccc(cc1)CN2CCC2 79f0a156a4476249fe3e90dbe2fa6274 [0,0,0,1,0,1|2,0,0]=4 2445 B12R2.2058 c1ccc(cc1)NC2COC2 638d2081ed3e07246cd09300ecb8f6dc [0,0,0,1,0,1|1,0,0]=3 2446 B12R2.2058 c1ccc(nc1)NC2CCC2 fb43cdd397450ab6a78add51a3593170 [0,0,0,1,0,1|2,0,0]=4 2447 B12R2.2058 c1ccc(nc1)OC2CCC2 01ad94c84aae3cf4e74cc0f7661c85b5 [0,0,0,1,0,1|2,0,0]=4 2448 B12R2.2058 c1ccc(nc1)OC2COC2 e57c93d451b0b6b991d0fd1596a311ca [0,0,0,1,0,1|2,0,0]=4 2449 B12R2.2058 c1cncc(c1)NC2CCC2 dd91e6f1e99e09367d72a057d00ff1a5 [0,0,0,1,0,1|2,0,0]=4 2450 B12R2.2058 c1cncc(c1)NC2COC2 2aae7bd2fd3ce1179be00cfde2c027d7 [0,0,0,1,0,1|2,0,0]=4 2451 B12R2.2058 c1cncc(c1)OC2CCC2 7a6fdcb9cb0be6f7ba06c65562ff0c48 [0,0,0,1,0,1|2,0,0]=4 2452 B12R2.2058 c1cncc(c1)OC2COC2 a8dd711f09c8c96411b2f1503a563f21 [0,0,0,1,0,1|2,0,0]=4 2453 B12R2.1 OCN1CCc2c1cccc2 b6afa4fa6bad5e1cd18ef7eeaa43164b [0,1,0,1,0,0|2,0,0]=4 2454 B12R2.931 CCOC1Cc2c1cccc2 3c89ff4e209e0c2fdac6354471a794bb [0,1,0,1,0,0|1,0,0]=3 2455 B12R2.931 FCOC1Cc2c1cccc2 8a2a59b07ef62954890e5ca9132b929f [0,1,0,1,0,0|1,0,0]=3 2456 B12R2.931 N#CNC1Cc2c1cccc2 4acf83ea777f3f4bc9a4041ee13e4a3e [0,1,0,1,0,0|0,0,2]=4 2457 B12R1.27 BrCC(Br)CNc1ccccc1 e7e12b5e4c30a5d2720e1014017ec37c [0,0,0,0,0,2|2,0,0]=4 2458 B12R1.27 C#CC(C)NCc1ccccc1 0c823c8410acc72523ada4697880703b [0,0,0,0,0,2|1,0,1]=4 2459 B12R1.27 C#CC(C)OCc1ccccc1 f6359202a87cde289007d81369eaa165 [0,0,0,0,0,2|1,0,1]=4 2460 B12R1.27 C#C[C@@H](C)NCc1ccccc1 51fd06b5dc99f337c53516eb04becf75 [0,0,0,0,0,2|1,0,1]=4 2461 B12R1.27 C#C[C@@H](C)OCc1ccccc1 5a1f683c3ddc74682e7065902596ab4b [0,0,0,0,0,2|1,0,1]=4 2462 B12R1.27 C#C[C@H](C)NCc1ccccc1 5c0b47a0f6d5613da204666041aaf216 [0,0,0,0,0,2|1,0,1]=4 2463 B12R1.27 C#C[C@H](C)OCc1ccccc1 760d62af860bc17bf4194987b15f5245 [0,0,0,0,0,2|1,0,1]=4 2464 B12R1.27 C=CC(C)NCc1ccccc1 a2d84df39e96bf4d63bb9a0f31cf21bd [0,0,0,0,0,2|1,0,1]=4 2465 B12R1.27 C=CC(C)OCc1ccccc1 5eba3aa739773a1c08ab0c58859512d1 [0,0,0,0,0,2|1,0,1]=4 2466 B12R1.27 C=C[C@H](C)OCc1ccccc1 723c5fd60a5c4ba97fa272fb1c420579 [0,0,0,0,0,2|1,0,1]=4 2467 B12R1.27 CC(C#N)CNc1ccccc1 bca83eb9ab77da1cbd259e8c3d4283ee [0,0,0,0,0,2|0,0,2]=4 2468 B12R1.27 CC(C#N)NCc1ccccc1 a297cbe65f4070e0226da02d61e71151 [0,0,0,0,0,2|0,0,2]=4 2469 B12R1.27 CC(C=O)NCc1ccccc1 52acbe8f861a146c2fae15c546c154ce [0,0,0,0,0,2|1,0,1]=4 2470 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [0,0,0,0,0,2|1,0,1]=4 2471 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [0,0,0,0,0,2|1,0,0]=3 2472 B12R1.27 CC(CF)OCc1ccccn1 0d7b7c864206636c9235d181d09d6b15 [0,0,0,0,0,2|2,0,0]=4 2473 B12R1.27 CC(CF)OCc1cccnc1 dcd165da872903498dbd39f6392c4596 [0,0,0,0,0,2|2,0,0]=4 2474 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [0,0,0,0,0,2|1,0,0]=3 2475 B12R1.27 CC(CO)CNc1ccccn1 9228158f05cdce3bcf2332746a0d5a23 [0,0,0,0,0,2|2,0,0]=4 2476 B12R1.27 CC(CO)CNc1cccnc1 801122522d7c4cbfe437832579f981bf [0,0,0,0,0,2|2,0,0]=4 2477 B12R1.27 CC(CO)CNc1ccncc1 40e833cdc1404a8681b4db576acfe323 [0,0,0,0,0,2|2,0,0]=4 2478 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [0,0,0,0,0,2|1,0,0]=3 2479 B12R1.27 CC(CO)NCc1ccccn1 dc606027ab1cf21842521e3cd6aab041 [0,0,0,0,0,2|2,0,0]=4 2480 B12R1.27 CC(CO)NCc1cccnc1 80adcdefa26a29e6989696dff2f189ce [0,0,0,0,0,2|2,0,0]=4 2481 B12R1.27 CC(CO)NCc1ccncc1 9672e7a66b4b38bfe57c10026c0328a2 [0,0,0,0,0,2|2,0,0]=4 2482 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [0,0,0,0,0,2|1,0,0]=3 2483 B12R1.27 CC(CS)OCc1ccccn1 d5c25dfa8bcef5c73ff7d0ae8229ced9 [0,0,0,0,0,2|2,0,0]=4 2484 B12R1.27 CC(CS)OCc1cccnc1 c6dbc5eba4423fac160580b226332d7c [0,0,0,0,0,2|2,0,0]=4 2485 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [0,0,0,0,0,2|1,0,0]=3 2486 B12R1.27 CCC(C)CNc1ccccn1 6f2b4521dfa3e14ebf77bc9e288b8c6c [0,0,0,0,0,2|2,0,0]=4 2487 B12R1.27 CCC(C)CNc1cccnc1 799d2535ec95c75adc3efc07c94a55e6 [0,0,0,0,0,2|2,0,0]=4 2488 B12R1.27 CCC(C)CNc1ccncc1 1d114bdb53eb8bc5873d9cc0853c5acf [0,0,0,0,0,2|2,0,0]=4 2489 B12R1.27 CCC(C)COc1ccccn1 068a7be24dc7922a67d6964a1394c7d6 [0,0,0,0,0,2|2,0,0]=4 2490 B12R1.27 CCC(C)COc1cccnc1 0c32f61d8566e65294b7d65adcb5b70b [0,0,0,0,0,2|2,0,0]=4 2491 B12R1.27 CCC(C)COc1ccncc1 60b90e0040b7a2f08da03a263d76f7dc [0,0,0,0,0,2|2,0,0]=4 2492 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [0,0,0,0,0,2|1,0,0]=3 2493 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [0,0,0,0,0,2|2,0,0]=4 2494 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [0,0,0,0,0,2|2,0,0]=4 2495 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [0,0,0,0,0,2|2,0,0]=4 2496 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [0,0,0,0,0,2|1,0,0]=3 2497 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [0,0,0,0,0,2|2,0,0]=4 2498 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [0,0,0,0,0,2|2,0,0]=4 2499 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [0,0,0,0,0,2|2,0,0]=4 2500 B12R1.27 CCC(O)CNc1ccccc1 3a32ac0a6b49d877750df15cf382268b [0,0,0,0,0,2|2,0,0]=4 2501 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [0,0,0,0,0,2|2,0,0]=4 2502 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [0,0,0,0,0,2|1,0,0]=3 2503 B12R1.27 CC[C@@H](C)CNc1ccccn1 b147644fe4c42e26e6b4ca990988fc8c [0,0,0,0,0,2|2,0,0]=4 2504 B12R1.27 CC[C@@H](C)CNc1cccnc1 1eb105ddecf8c3249110848ecff4eaa7 [0,0,0,0,0,2|2,0,0]=4 2505 B12R1.27 CC[C@@H](C)CNc1ccncc1 ea454cc837b589ad6fa29f9da9abac60 [0,0,0,0,0,2|2,0,0]=4 2506 B12R1.27 CC[C@@H](C)COc1ccccn1 874982a66f916edcb8896717a7802590 [0,0,0,0,0,2|2,0,0]=4 2507 B12R1.27 CC[C@@H](C)COc1cccnc1 58227191aae01f35afcd7cf132697857 [0,0,0,0,0,2|2,0,0]=4 2508 B12R1.27 CC[C@@H](C)COc1ccncc1 d0894bc1ae7cda042c896f44faa1550c [0,0,0,0,0,2|2,0,0]=4 2509 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [0,0,0,0,0,2|1,0,0]=3 2510 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [0,0,0,0,0,2|2,0,0]=4 2511 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [0,0,0,0,0,2|2,0,0]=4 2512 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [0,0,0,0,0,2|1,0,0]=3 2513 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [0,0,0,0,0,2|2,0,0]=4 2514 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [0,0,0,0,0,2|2,0,0]=4 2515 B12R1.27 CC[C@@H](O)CNc1ccccc1 765034dc37ea09fed7d7c3321191febe [0,0,0,0,0,2|2,0,0]=4 2516 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [0,0,0,0,0,2|1,0,0]=3 2517 B12R1.27 CC[C@H](C)CNc1ccccn1 75c9b55178b9e6cbffbfe52153637e1b [0,0,0,0,0,2|2,0,0]=4 2518 B12R1.27 CC[C@H](C)CNc1cccnc1 2e0a2075fe988129d1dcbf5d21b158ec [0,0,0,0,0,2|2,0,0]=4 2519 B12R1.27 CC[C@H](C)CNc1ccncc1 1476b49c3603a7542420a49c2bf3dc59 [0,0,0,0,0,2|2,0,0]=4 2520 B12R1.27 CC[C@H](C)COc1ccccn1 f5b749782758cf24dab04e1718b2b720 [0,0,0,0,0,2|2,0,0]=4 2521 B12R1.27 CC[C@H](C)COc1cccnc1 07e42e29a9d594c30776c88035bd838e [0,0,0,0,0,2|2,0,0]=4 2522 B12R1.27 CC[C@H](C)COc1ccncc1 91877b6a13f619eb114c1ca0ccf0b7a7 [0,0,0,0,0,2|2,0,0]=4 2523 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [0,0,0,0,0,2|1,0,0]=3 2524 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [0,0,0,0,0,2|2,0,0]=4 2525 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [0,0,0,0,0,2|2,0,0]=4 2526 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [0,0,0,0,0,2|1,0,0]=3 2527 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [0,0,0,0,0,2|2,0,0]=4 2528 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [0,0,0,0,0,2|2,0,0]=4 2529 B12R1.27 CN(CF)CCc1ccccc1 af958a660e6bf737d02c2dfab1bc467d [0,0,0,0,0,2|2,0,0]=4 2530 B12R1.27 CN(CO)CCc1ccccc1 c9a67cdf713e4c874ec2d63ed5e8590a [0,0,0,0,0,2|2,0,0]=4 2531 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [0,0,0,0,0,2|2,0,0]=4 2532 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [0,0,0,0,0,2|2,0,0]=4 2533 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [0,0,0,0,0,2|2,0,0]=4 2534 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [0,0,0,0,0,2|1,0,0]=3 2535 B12R1.27 C[C@@H](CO)CNc1ccccn1 af016b84d95f1080f07ef6f02d15824a [0,0,0,0,0,2|2,0,0]=4 2536 B12R1.27 C[C@@H](CO)CNc1cccnc1 6052f0c67d4cdd3f80ceffbd11480331 [0,0,0,0,0,2|2,0,0]=4 2537 B12R1.27 C[C@@H](CO)CNc1ccncc1 f14674535a69f3232455d568e370ba78 [0,0,0,0,0,2|2,0,0]=4 2538 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [0,0,0,0,0,2|1,0,0]=3 2539 B12R1.27 C[C@@H](CO)NCc1ccccn1 24b346e5ac8cec24f6566fe18f21e557 [0,0,0,0,0,2|2,0,0]=4 2540 B12R1.27 C[C@@H](CO)NCc1cccnc1 c05978b6b00adbcee4f88cca44b079ed [0,0,0,0,0,2|2,0,0]=4 2541 B12R1.27 C[C@@H](CO)NCc1ccncc1 5b07b762d221cbddc1d819cacc34979c [0,0,0,0,0,2|2,0,0]=4 2542 B12R1.27 C[C@H](C=O)NCc1ccccc1 645b627cd889138b5240bcb1ce686b72 [0,0,0,0,0,2|1,0,1]=4 2543 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [0,0,0,0,0,2|1,0,1]=4 2544 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [0,0,0,0,0,2|1,0,0]=3 2545 B12R1.27 C[C@H](CO)CNc1ccccn1 e822e956d48a344afeb617359365dcfb [0,0,0,0,0,2|2,0,0]=4 2546 B12R1.27 C[C@H](CO)CNc1cccnc1 27ef93a68bfc032deefa13733949bda2 [0,0,0,0,0,2|2,0,0]=4 2547 B12R1.27 C[C@H](CO)CNc1ccncc1 4fd9d26d176ae9102178ddd2e18bcf70 [0,0,0,0,0,2|2,0,0]=4 2548 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [0,0,0,0,0,2|1,0,0]=3 2549 B12R1.27 C[C@H](CO)NCc1ccccn1 f876cbcb18ab33a44cd48067a6e0c620 [0,0,0,0,0,2|2,0,0]=4 2550 B12R1.27 C[C@H](CO)NCc1cccnc1 21544267eb570ab70ec823c251a550b0 [0,0,0,0,0,2|2,0,0]=4 2551 B12R1.27 C[C@H](CO)NCc1ccncc1 7dbeacc2c2607a95fa1f0ce20b03a078 [0,0,0,0,0,2|2,0,0]=4 2552 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [0,0,0,0,0,2|1,0,0]=3 2553 B12R1.27 C[C@H](CS)OCc1ccccn1 bfa2f3c46950c58e36e3009f57740457 [0,0,0,0,0,2|2,0,0]=4 2554 B12R1.27 C[C@H](CS)OCc1cccnc1 ac5d95777938b777033779188a5a5b0a [0,0,0,0,0,2|2,0,0]=4 2555 B12R1.27 OC(CF)CNc1ccccc1 e518893c8dbaaac7e0289d266d42fc20 [0,0,0,0,0,2|2,0,0]=4 2556 B12R1.27 OCC(F)CNc1ccccc1 12f6637854cd5607d7beeb33d98c9d66 [0,0,0,0,0,2|2,0,0]=4 2557 B12R1.27 OCC(O)CNc1ccccc1 2c98ea52c81c0230088b12196d6eb24a [0,0,0,0,0,2|2,0,0]=4 2558 B12R1.27 OC[C@@H](F)CNc1ccccc1 df0a72159854bbc7d14ee531e659ec9c [0,0,0,0,0,2|2,0,0]=4 2559 B12R1.27 OC[C@@H](O)CNc1ccccc1 d5ed593b781b051c17ac5c0f665c9b28 [0,0,0,0,0,2|2,0,0]=4 2560 B12R1.27 OC[C@H](F)CNc1ccccc1 9734eac13b001b84d3ee28ab012b0276 [0,0,0,0,0,2|2,0,0]=4 2561 B12R1.27 OC[C@H](O)CNc1ccccc1 4df6835ea35fcadc1546d95d2a23469d [0,0,0,0,0,2|2,0,0]=4