0 B13R2.3 c1ccc(cc1)c2cccnc2 aede9e2c1a2e5e3f69dd9bab53763184 [0,0,0,0,0,0|1,0,3]=4 1 B13R2.3 c1ccc(nc1)c2cccnc2 efa471fa9928bd5e6e94cb7a6230eddf [0,0,0,0,0,0|0,0,4]=4 2 B13R2.3 c1cnc(nc1)c2cccnc2 4beb44f256271ca316fb014a6f0c94de [0,0,0,0,0,0|1,0,3]=4 3 B13R2.3 c1cncc(c1)c2cccnc2 17a4e56ec17b849fe3f7972a4cdd4b6a [0,0,0,0,0,0|2,0,2]=4 4 B13R2.3 c1cncc(c1)c2cccnn2 06059c8feb496e87603ee2b20814b168 [0,0,0,0,0,0|1,0,3]=4 5 B13R2.3 c1cncc(c1)c2cnccn2 96561babbbf28ab67de35de11527087b [0,0,0,0,0,0|3,0,1]=4 6 B14R2.21 O=c1cccc([nH]1)c2cccnc2 d8f883d0f865ebb3f8cf2866c9c4c026 [0,1,0,0,0,0|0,0,3]=4 7 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,0,1,0,0,0|1,0,2]=4 8 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [0,0,1,0,0,0|2,0,1]=4 9 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [0,0,1,0,0,0|2,0,1]=4 10 B12R1.3 C=CCN(C#N)c1cccnc1 5c0b0087b53cb0740174001fa0e8582e [0,0,1,0,0,0|3,0,0]=4 11 B12R1.3 C=CCN(C=O)c1cccnc1 5e279cda2cf12d361bcbc1892aeecc1e [0,0,1,0,0,0|3,0,0]=4 12 B12R1.3 C=CCN(CC)c1ccccc1 2bf94e98a6e871d2b0d4e7e5382e5a7a [0,0,1,0,0,0|3,0,0]=4 13 B12R1.3 C=CCN(CC)c1cccnc1 8cc07a8e474426a519fd6ac39b7e5950 [0,0,1,0,0,0|2,0,0]=3 14 B12R1.3 C=CCN(CC)c1cccnn1 34029371914f7d1d0fa2f691ab3ed0bd [0,0,1,0,0,0|3,0,0]=4 15 B12R1.3 C=CCN(CC)c1ccnnc1 1df9c557fab762233d1d745cf5114531 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.3 C=CCN(CC)c1cnccn1 3ec8a4f5e3334827489e21fd73ddc16b [0,0,1,0,0,0|3,0,0]=4 17 B12R1.3 C=CCN(CC)c1cncnc1 5b05fd3845212a03da6fbefc73ed7b17 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.3 C=CCN(CF)c1cccnc1 fb4211826c18e1b4cca6a0fa65a9aa8c [0,0,1,0,0,0|3,0,0]=4 19 B12R1.3 C=CCN(CO)c1cccnc1 760feab22fa080850fab40392822503a [0,0,1,0,0,0|3,0,0]=4 20 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,0,1,0,0,0|1,0,2]=4 21 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [0,0,1,0,0,0|2,0,1]=4 23 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,0,1,0,0,0|1,0,2]=4 24 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [0,0,1,0,0,0|2,0,1]=4 25 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.3 CCC(NC=O)c1cccnc1 87d0fe1dfb10c405e4ac398b90932d21 [0,0,1,0,0,0|1,0,2]=4 27 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.3 CCC(NCF)c1cccnc1 050a1d083b10f03fb450419c81be8ae1 [0,0,1,0,0,0|1,0,1]=3 29 B12R1.3 CCC(NCF)c1cnccn1 b62e530312b36651d054938ab2090554 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,0,1,0,0,0|2,0,1]=4 31 B12R1.3 CCC(NCO)c1cccnc1 fc7ff5ecddc71c25db8fb93cf06fa985 [0,0,1,0,0,0|1,0,1]=3 32 B12R1.3 CCC(NCO)c1cnccn1 6f66a4033f9d71c1ff8efd15a18cbc54 [0,0,1,0,0,0|2,0,1]=4 33 B12R1.3 CCN(CC=O)c1cccnc1 32efd6c0b5b0d40666e6f1dc4fc0b878 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.3 CCNC(C#N)c1cccnc1 eb33b2d8861cc78a1d113102a96926d6 [0,0,1,0,0,0|1,0,2]=4 35 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,0,1,0,0,0|1,0,2]=4 36 B12R1.3 CCNC(CC)c1cccnc1 183e03f7f6827f9f25dce9a8d81e707c [0,0,1,0,0,0|0,0,2]=3 37 B12R1.3 CCNC(CC)c1cnccn1 b25c1ca31301a0bdbf6338b0a2bccf2c [0,0,1,0,0,0|1,0,2]=4 38 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,0,1,0,0,0|2,0,1]=4 39 B12R1.3 CCNC(CO)c1cccnc1 1611098aa815e5f3bafc4941a732cc5c [0,0,1,0,0,0|1,0,1]=3 40 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,0,1,0,0,0|1,0,2]=4 41 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,0,1,0,0,0|2,0,1]=4 42 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,0,1,0,0,0|2,0,1]=4 43 B12R1.3 CCN[C@@H](CO)c1cccnc1 b65190046efd29122e4a14e052d5a8a3 [0,0,1,0,0,0|1,0,1]=3 44 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,0,1,0,0,0|1,0,2]=4 45 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,0,1,0,0,0|2,0,1]=4 46 B12R1.3 CCN[C@H](CO)c1cccnc1 38d2f9781b2db206eb43cce912c664e2 [0,0,1,0,0,0|1,0,1]=3 47 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,0,1,0,0,0|2,0,1]=4 48 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,0,1,0,0,0|2,0,1]=4 49 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,0,1,0,0,0|2,0,1]=4 50 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,0,1,0,0,0|2,0,1]=4 51 B12R1.3 FCN[C@@H](CF)c1ccccc1 7653dba4c4786a42a01c43c68d5b04cc [0,0,1,0,0,0|3,0,0]=4 52 B12R1.3 N#CC(NCF)c1cccnc1 7b4dec9526832b7653b1c71ed83b4a41 [0,0,1,0,0,0|2,0,1]=4 53 B12R1.3 N#CC(NCO)c1cccnc1 73f497e9799e2bb4d5de7846ca8812b8 [0,0,1,0,0,0|2,0,1]=4 54 B12R1.3 O=CNC(CO)c1cccnc1 f7cecbb2ce6918c198617bc640b3e8ac [0,0,1,0,0,0|2,0,1]=4 55 B12R1.3 O=CN[C@@H](CO)c1cccnc1 87955398e26b15fe097212ea25fdcf53 [0,0,1,0,0,0|2,0,1]=4 56 B12R1.3 O=CN[C@H](CO)c1cccnc1 1b7cf5c72aead080f79a3b345be45758 [0,0,1,0,0,0|2,0,1]=4 57 B12R1.3 OCC(NCF)c1ccccc1 eaf7d36725e016b8868e5ee278bca73b [0,0,1,0,0,0|3,0,0]=4 58 B12R1.3 OCC(NCF)c1cccnc1 6aace6bc5258ce15f8c60ba8bc6f161a [0,0,1,0,0,0|2,0,0]=3 59 B12R1.3 OCNC(CO)c1ccccc1 a3cd377c07e89cc8008c00850413e2fa [0,0,1,0,0,0|3,0,0]=4 60 B12R1.3 OCNC(CO)c1cccnc1 bf33a438ee347f0f7457f3bfdd9019db [0,0,1,0,0,0|2,0,0]=3 61 B12R1.3 OCN[C@@H](CF)c1ccccc1 c48dbb78e8705925b437f732da4df883 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.3 OCN[C@@H](CO)c1ccccc1 47e5ec93da6df8b6056499be137dbc47 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.3 OCN[C@@H](CO)c1cccnc1 1851bdd345aa50a3f28742cd74bcba2d [0,0,1,0,0,0|2,0,0]=3 64 B12R1.3 OCN[C@H](CO)c1ccccc1 a68f9bf02ebd1849a27bc4bc05035ca2 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.3 OCN[C@H](CO)c1cccnc1 2c03644208700645b39f92fc88c3ee2f [0,0,1,0,0,0|2,0,0]=3 66 B12R1.3 OC[C@@H](NCF)c1ccccc1 0ac5a4dce202f249594459f5d60bcf4f [0,0,1,0,0,0|3,0,0]=4 67 B12R1.3 OC[C@@H](NCF)c1cccnc1 dfa00b3c04d10d9e935f08c5987d6990 [0,0,1,0,0,0|2,0,0]=3 68 B12R1.3 OC[C@H](NCF)c1ccccc1 590aacd64b7799646c86138b9bcd2be8 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.3 OC[C@H](NCF)c1cccnc1 8634d21714f26f15203f3b2deb24c556 [0,0,1,0,0,0|2,0,0]=3 70 B12R1.8 BrCCNCCc1cccnc1 d7f4e91980611b9c6a9d67fde3f5b289 [0,0,1,0,0,0|2,0,1]=4 71 B12R1.8 C#CCCNCc1cccnc1 dc431d5bca4968cf851b34dc6dc26130 [0,0,1,0,0,0|0,0,3]=4 72 B12R1.8 C/C=C/CNCc1ccccc1 696910dabaeed0573317ce9dc7d987f1 [0,0,1,0,0,0|1,0,0]=2 73 B12R1.8 C/C=C/CNCc1ccccn1 65bbf7422c72780ea452fbab5779da40 [0,0,1,0,0,0|2,0,0]=3 74 B12R1.8 C/C=C/CNCc1cccnc1 b511eecbf879219de16aab9d10bab88f [0,0,1,0,0,0|0,0,0]=1 75 B12R1.8 C/C=C/CNCc1cccnn1 f2d9bf40903b320d65365150ec36d59d [0,0,1,0,0,0|1,0,0]=2 76 B12R1.8 C/C=C/CNCc1ccncc1 c05a4fe8f53f1e0fb0df097dba65e4f0 [0,0,1,0,0,0|2,0,0]=3 77 B12R1.8 C/C=C/CNCc1ccncn1 88cec39012190ab3ab70dea956b802d0 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.8 C/C=C/CNCc1ccnnc1 5fcca6302c07e3bc6eccdafed5ed674e [0,0,1,0,0,0|1,0,0]=2 79 B12R1.8 C/C=C/CNCc1cnccn1 bc37e6988f58e50df247b59a4901a4ad [0,0,1,0,0,0|1,0,0]=2 80 B12R1.8 C/C=C/CNCc1cncnc1 35b4de6cca769b4404472ee584de315b [0,0,1,0,0,0|1,0,0]=2 81 B12R1.8 C/C=C/CNCc1ncccn1 902b172cc086cca52bfdddf39dc14522 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.8 C/C=C/COCc1ccccc1 bedaf623f7df2efe6975ff88cd723c7c [0,0,1,0,0,0|2,0,0]=3 83 B12R1.8 C/C=C/COCc1ccccn1 c318922f83e5d7127687e5bc80479da0 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.8 C/C=C/COCc1cccnc1 3904bcc1beac04d1910ece31bfb74cfd [0,0,1,0,0,0|1,0,0]=2 85 B12R1.8 C/C=C/COCc1cccnn1 0dc340935c982981e5d04c2e487e7e0a [0,0,1,0,0,0|2,0,0]=3 86 B12R1.8 C/C=C/COCc1ccncc1 618449254ded2bf4d640e33d4387e335 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.8 C/C=C/COCc1ccnnc1 6d4eccfd9d2583d2f55829aba10bd2e1 [0,0,1,0,0,0|2,0,0]=3 88 B12R1.8 C/C=C/COCc1cnccn1 7f70b85635db06ccdcd0b37ae0b4ba8f [0,0,1,0,0,0|2,0,0]=3 89 B12R1.8 C/C=C/COCc1cncnc1 7c7642d4975730b8b8b52a59c07f975e [0,0,1,0,0,0|2,0,0]=3 90 B12R1.8 C/C=C\CNCc1ccccc1 fd8d6b82f6381d759806df05cfd6b008 [0,0,1,0,0,0|1,0,0]=2 91 B12R1.8 C/C=C\CNCc1ccccn1 410751982b21beea4a6a179c42faf08f [0,0,1,0,0,0|2,0,0]=3 92 B12R1.8 C/C=C\CNCc1cccnc1 3c6555ad1f6c7de1cd594bc8f511bab7 [0,0,1,0,0,0|0,0,0]=1 93 B12R1.8 C/C=C\CNCc1cccnn1 d43b36c7424be2560bfbe06aff2dce2e [0,0,1,0,0,0|1,0,0]=2 94 B12R1.8 C/C=C\CNCc1ccncc1 46618b5aa25fbdd3b5ce2777916da134 [0,0,1,0,0,0|2,0,0]=3 95 B12R1.8 C/C=C\CNCc1ccncn1 2f8e43edbdfd1b0b0c389232912f387f [0,0,1,0,0,0|3,0,0]=4 96 B12R1.8 C/C=C\CNCc1ccnnc1 2e59caa32ac6e42d608b56459dc8bbfa [0,0,1,0,0,0|1,0,0]=2 97 B12R1.8 C/C=C\CNCc1cnccn1 6e636615f0edab030e79013230f65e73 [0,0,1,0,0,0|1,0,0]=2 98 B12R1.8 C/C=C\CNCc1cncnc1 0862fc2ffc266a80b22f5537dec5fce1 [0,0,1,0,0,0|1,0,0]=2 99 B12R1.8 C/C=C\CNCc1ncccn1 84555b4412ffe39c8414f1c82dd59efb [0,0,1,0,0,0|3,0,0]=4 100 B12R1.8 C/C=C\COCc1ccccc1 bb9ff25480a2f7ddd7050e8b042c0009 [0,0,1,0,0,0|2,0,0]=3 101 B12R1.8 C/C=C\COCc1ccccn1 6d3bdb5e61e8c1aff7e72df2faab90c1 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.8 C/C=C\COCc1cccnc1 d6bd296a3be9f946635bf2d657e7a37e [0,0,1,0,0,0|1,0,0]=2 103 B12R1.8 C/C=C\COCc1cccnn1 26d1d629d045d938b3f04b7ad4acd41c [0,0,1,0,0,0|2,0,0]=3 104 B12R1.8 C/C=C\COCc1ccncc1 4cf574d2fddab5c2b11afa63cf997593 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.8 C/C=C\COCc1ccnnc1 74fe3d6f5b6b225132f6b6dda0a8bbae [0,0,1,0,0,0|2,0,0]=3 106 B12R1.8 C/C=C\COCc1cnccn1 ea3c80b2a3c08d276c3f998ca6b9464a [0,0,1,0,0,0|2,0,0]=3 107 B12R1.8 C/C=C\COCc1cncnc1 9622bdd6c8bda7f301a050fd3370e9aa [0,0,1,0,0,0|2,0,0]=3 108 B12R1.8 C=CCCNCc1ccccc1 7be44c4294c0af7fca2ca0fbee344b88 [0,0,1,0,0,0|1,0,2]=4 109 B12R1.8 C=CCCNCc1cccnc1 2aeb50c38e39d9f819e417af44d77a5c [0,0,1,0,0,0|0,0,2]=3 110 B12R1.8 C=CCCNCc1cccnn1 584ff1c1eea5d6c919b97a8bd4925025 [0,0,1,0,0,0|1,0,2]=4 111 B12R1.8 C=CCCNCc1ccnnc1 cf1f69dfe1b3bf938860d1e4001d9df8 [0,0,1,0,0,0|1,0,2]=4 112 B12R1.8 C=CCCNCc1cnccn1 febe5d272658384348f2354c39110c30 [0,0,1,0,0,0|1,0,2]=4 113 B12R1.8 C=CCCNCc1cncnc1 45abcaa61a0c35aa9c0afc0b67a6bfe0 [0,0,1,0,0,0|1,0,2]=4 114 B12R1.8 C=CCCOCc1cccnc1 b4aed6e156172cb2992ef59635076b41 [0,0,1,0,0,0|1,0,2]=4 115 B12R1.8 CC#CCNCc1ccccc1 8c1f08f42380d385ee55fb616f0806b5 [0,0,1,0,0,0|1,0,2]=4 116 B12R1.8 CC#CCNCc1cccnc1 339d3959f81f44e4b3a38752d07e62d2 [0,0,1,0,0,0|0,0,2]=3 117 B12R1.8 CC#CCNCc1cccnn1 1062ee43ea70cc51aa27e9de8cff2e3c [0,0,1,0,0,0|1,0,2]=4 118 B12R1.8 CC#CCNCc1cncnc1 bc890cef3a87118327374ace5059f419 [0,0,1,0,0,0|1,0,2]=4 119 B12R1.8 CC#CCOCc1cccnc1 7f6d94dcac7e746c80215571270d31ac [0,0,1,0,0,0|1,0,2]=4 120 B12R1.8 CC/C=C/CNc1ccccc1 ae4615a47949f31d5764aa26c0be3c5c [0,0,1,0,0,0|3,0,0]=4 121 B12R1.8 CC/C=C/CNc1cccnc1 5eaedc042560cb54c02737fc2a6e8e82 [0,0,1,0,0,0|2,0,0]=3 122 B12R1.8 CC/C=C/CNc1cccnn1 d3f8a3260b629c789898fa93041cbf07 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.8 CC/C=C/CNc1ccnnc1 e051ab2ed5551537c456c7e5dcdcec4e [0,0,1,0,0,0|3,0,0]=4 124 B12R1.8 CC/C=C/CNc1cnccn1 1c624a9557cb3232a4ec125302039eaf [0,0,1,0,0,0|3,0,0]=4 125 B12R1.8 CC/C=C/CNc1cncnc1 8532e415dd4e7772afc03fe30e1fd272 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.8 CC/C=C/COc1cccnc1 ae7b122db825af7b4ed40a1d20b8f770 [0,0,1,0,0,0|2,0,0]=3 127 B12R1.8 CC/C=C/COc1ccnnc1 046ac1d237cc72f0cb66bf742fb16aa4 [0,0,1,0,0,0|3,0,0]=4 128 B12R1.8 CC/C=C/COc1cnccn1 d6fd5361fa1d59a46f726dfab945fb55 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.8 CC/C=C/COc1cncnc1 320fa7ae16c586ebe6122e63e321652d [0,0,1,0,0,0|3,0,0]=4 130 B12R1.8 CC=CCNCc1ccccc1 ccb966671e75f827f9356a0f248353fa [0,0,1,0,0,0|1,0,0]=2 131 B12R1.8 CC=CCNCc1ccccn1 52a404d965cda1a058976d3644d6610b [0,0,1,0,0,0|2,0,0]=3 132 B12R1.8 CC=CCNCc1cccnc1 fd1dd231ecd09d84c8e61446b852d10b [0,0,1,0,0,0|0,0,0]=1 133 B12R1.8 CC=CCNCc1cccnn1 1e0c6eef3f730f3d7918806c3942cb12 [0,0,1,0,0,0|1,0,0]=2 134 B12R1.8 CC=CCNCc1ccncn1 d9dbca59d74b77d1cb142a62c036e30b [0,0,1,0,0,0|3,0,0]=4 135 B12R1.8 CC=CCNCc1cncnc1 44d04fd3427374cc88ae04c133bdf37b [0,0,1,0,0,0|1,0,0]=2 136 B12R1.8 CC=CCNCc1ncccn1 4d8577d2efde5365d743e932e5c9e7ff [0,0,1,0,0,0|3,0,0]=4 137 B12R1.8 CC=CCOCc1ccccc1 dcaa6de30aada804690dc36fa942dd3d [0,0,1,0,0,0|2,0,0]=3 138 B12R1.8 CC=CCOCc1ccccn1 01d3b11f6fb9777af0814506ac5db2f3 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.8 CC=CCOCc1cccnc1 d8e42da77c7f45a2d209d19bdf8b236a [0,0,1,0,0,0|1,0,0]=2 140 B12R1.8 CC=CCOCc1cccnn1 b9658d8aeb970f5ce22b4d2c776c946c [0,0,1,0,0,0|2,0,0]=3 141 B12R1.8 CC=CCOCc1cncnc1 7fc69269188e25acb0f4b528f849f385 [0,0,1,0,0,0|2,0,0]=3 142 B12R1.8 CCCCNCc1ccccc1 0ab7d34979c69bc4acd6ef46bb666f9a [0,0,1,0,0,0|1,0,2]=4 143 B12R1.8 CCCCNCc1cccnc1 f62a7991eabce63e2457be2a93ae29e8 [0,0,1,0,0,0|0,0,2]=3 144 B12R1.8 CCCCNCc1cccnn1 e85972a339996fbc97bd1ba24951499a [0,0,1,0,0,0|1,0,2]=4 145 B12R1.8 CCCCNCc1ccnnc1 73b387e139c6f8ec54d0001299843425 [0,0,1,0,0,0|1,0,2]=4 146 B12R1.8 CCCCNCc1cnccn1 f13b8a1b0467e90a5ff165ce794eb30c [0,0,1,0,0,0|1,0,2]=4 147 B12R1.8 CCCCNCc1cncnc1 2f95e3d9b8358a3f654661631e667b12 [0,0,1,0,0,0|1,0,2]=4 148 B12R1.8 CCCCOCc1cccnc1 e919bcaf101899d0377d8f05c8edc329 [0,0,1,0,0,0|1,0,2]=4 149 B12R1.8 CCCNCCc1cccnc1 1e462df2b0ae672e64302eccd1ccbf55 [0,0,1,0,0,0|2,0,1]=4 150 B12R1.8 CCCOCCc1cccnc1 04113a7c0c0fc7a249f8441dcdeb4b99 [0,0,1,0,0,0|2,0,1]=4 151 B12R1.8 CCNCCCc1cccnc1 3373f8695160430ad61e1df554bf48e4 [0,0,1,0,0,0|2,0,1]=4 152 B12R1.8 CCOCCCc1cccnc1 5173637fbf4b8276cf79cd9d0837d422 [0,0,1,0,0,0|2,0,1]=4 153 B12R1.8 CCOCNCc1ccccc1 ad1ac49e8362d6c3a7ef7f4bc168f4ac [0,0,1,0,0,0|2,0,1]=4 154 B12R1.8 CCOCNCc1cccnc1 77dc363b01d495a6518051d104958a2f [0,0,1,0,0,0|1,0,1]=3 155 B12R1.8 CCOCNCc1cccnn1 ceaf7071dbc13f3f22d89fcf44347a7f [0,0,1,0,0,0|2,0,1]=4 156 B12R1.8 CCOCNCc1ccnnc1 f494f0ff1ba354d01faf7735f37e8f40 [0,0,1,0,0,0|2,0,1]=4 157 B12R1.8 CCOCNCc1cnccn1 ce2ae80bcbedd3c655264d5e80cfb517 [0,0,1,0,0,0|2,0,1]=4 158 B12R1.8 COCCNCc1ccccc1 8a36d3044a8140246d8590cb65467526 [0,0,1,0,0,0|2,0,1]=4 159 B12R1.8 COCCNCc1cccnc1 daeeb1b2dd3039141ded10f95692d744 [0,0,1,0,0,0|1,0,1]=3 160 B12R1.8 COCCNCc1cccnn1 a3daf10b8adf2cf4d79827dc7ea4a6f3 [0,0,1,0,0,0|2,0,1]=4 161 B12R1.8 COCCNCc1ccnnc1 97877682aba2997329d71d8db4517a75 [0,0,1,0,0,0|2,0,1]=4 162 B12R1.8 COCCNCc1cnccn1 d0b6464b1143809f82269d8dad799fee [0,0,1,0,0,0|2,0,1]=4 163 B12R1.8 COCCNCc1cncnc1 dfc8973741d21af3b66e8a5a334d4a29 [0,0,1,0,0,0|2,0,1]=4 164 B12R1.8 COCCOCc1cccnc1 317f931a4364675768525b7f79270a0e [0,0,1,0,0,0|2,0,1]=4 165 B12R1.8 CSCCNCc1ccccc1 0d4e7f51d968ec32ec790202ae2a515e [0,0,1,0,0,0|2,0,1]=4 166 B12R1.8 CSCCNCc1cccnc1 ecfab7d8e375ad1f8b77b31b8d0610f7 [0,0,1,0,0,0|1,0,1]=3 167 B12R1.8 CSCCNCc1cccnn1 200a5d28bbaca89aab6f3d40a04481a9 [0,0,1,0,0,0|2,0,1]=4 168 B12R1.8 CSCCNCc1ccnnc1 c80b3fdd0de01877b68643881abcc02c [0,0,1,0,0,0|2,0,1]=4 169 B12R1.8 CSCCNCc1cnccn1 a140a84ab10598d2e0065e9c8ce3512c [0,0,1,0,0,0|2,0,1]=4 170 B12R1.8 CSCCNCc1cncnc1 a179058f13fc05c06b2f9e6b5dda4e7a [0,0,1,0,0,0|2,0,1]=4 171 B12R1.8 CSCCOCc1cccnc1 2805e860271ae018830b9c6b9d160171 [0,0,1,0,0,0|2,0,1]=4 172 B12R1.8 Cl/C=C/CNCc1ccccc1 a8bbb089bed3b2a5f6790add18c02ea9 [0,0,1,0,0,0|2,0,0]=3 173 B12R1.8 Cl/C=C/CNCc1ccccn1 9168f61a18ab1a6442ef5ae95335a708 [0,0,1,0,0,0|3,0,0]=4 174 B12R1.8 Cl/C=C/CNCc1cccnc1 14aeedc9f5b0c9c3e3684ce9b201b124 [0,0,1,0,0,0|1,0,0]=2 175 B12R1.8 Cl/C=C/CNCc1cccnn1 b0959fbb85137f8b6ea596224d7c0c29 [0,0,1,0,0,0|2,0,0]=3 176 B12R1.8 Cl/C=C/CNCc1ccncc1 16753ef2189ce506877228ec72b7e4cb [0,0,1,0,0,0|3,0,0]=4 177 B12R1.8 Cl/C=C/CNCc1ccnnc1 fce83deaf92f8442e2b09009323ca05b [0,0,1,0,0,0|2,0,0]=3 178 B12R1.8 Cl/C=C/CNCc1cnccn1 906657a535c5a550a4db1aa7929f0577 [0,0,1,0,0,0|2,0,0]=3 179 B12R1.8 Cl/C=C/CNCc1cncnc1 a36a62f2e622d556052f991308b58031 [0,0,1,0,0,0|2,0,0]=3 180 B12R1.8 Cl/C=C/COCc1ccccc1 39b96fd9c849369483b32d20bd300028 [0,0,1,0,0,0|3,0,0]=4 181 B12R1.8 Cl/C=C/COCc1cccnc1 ce9dde49a5f2cf7543b7450f42f8bd03 [0,0,1,0,0,0|2,0,0]=3 182 B12R1.8 Cl/C=C/COCc1cccnn1 8f067de9cd4cc657fd5ce5fee27bfefc [0,0,1,0,0,0|3,0,0]=4 183 B12R1.8 Cl/C=C/COCc1ccnnc1 dc74d686ae8894e454bb96f09d193639 [0,0,1,0,0,0|3,0,0]=4 184 B12R1.8 Cl/C=C/COCc1cnccn1 24a3377cdfe1b2044892dfe6231c16dc [0,0,1,0,0,0|3,0,0]=4 185 B12R1.8 Cl/C=C/COCc1cncnc1 1f51dbd597e720831518fd5af68a658e [0,0,1,0,0,0|3,0,0]=4 186 B12R1.8 Cl/C=C\CNCc1ccccc1 e1a2a29c75c0d3cbf63e02bd9dd9f68f [0,0,1,0,0,0|2,0,0]=3 187 B12R1.8 Cl/C=C\CNCc1ccccn1 2e8c85145e74c1b75a3ae2c3ef45ad33 [0,0,1,0,0,0|3,0,0]=4 188 B12R1.8 Cl/C=C\CNCc1cccnc1 a99f2ba80df1e15c5d40b01cc6d82f03 [0,0,1,0,0,0|1,0,0]=2 189 B12R1.8 Cl/C=C\CNCc1cccnn1 33f23115ac6006de0ff2598f0bd0309b [0,0,1,0,0,0|2,0,0]=3 190 B12R1.8 Cl/C=C\CNCc1ccncc1 a86cc9690743b16e445e629ff08cbb90 [0,0,1,0,0,0|3,0,0]=4 191 B12R1.8 Cl/C=C\CNCc1ccnnc1 8e710f71be2133169d4a5a10bffc8fac [0,0,1,0,0,0|2,0,0]=3 192 B12R1.8 Cl/C=C\CNCc1cnccn1 f9b02c5decbca47d34121aae08151276 [0,0,1,0,0,0|2,0,0]=3 193 B12R1.8 Cl/C=C\CNCc1cncnc1 3f66defeffcfb4c19f0a4dc4f1e010be [0,0,1,0,0,0|2,0,0]=3 194 B12R1.8 Cl/C=C\COCc1ccccc1 469db4a6443d937d123185062feb7af0 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.8 Cl/C=C\COCc1cccnc1 7768b88588213cc7e0fe28c2487fe5b0 [0,0,1,0,0,0|2,0,0]=3 196 B12R1.8 Cl/C=C\COCc1cccnn1 8d14b773c1df31b0d150f73ebd406871 [0,0,1,0,0,0|3,0,0]=4 197 B12R1.8 Cl/C=C\COCc1ccnnc1 fc282e47e64008169832494a3a8b422e [0,0,1,0,0,0|3,0,0]=4 198 B12R1.8 Cl/C=C\COCc1cnccn1 60c99fddbf36548090e9ab6f9225381a [0,0,1,0,0,0|3,0,0]=4 199 B12R1.8 Cl/C=C\COCc1cncnc1 42393a0c939faeb6a21d7fb6cca4a511 [0,0,1,0,0,0|3,0,0]=4 200 B12R1.8 ClC=CCOCc1ccccc1 c5abd2a914006a75903d903e7480679b [0,0,1,0,0,0|3,0,0]=4 201 B12R1.8 ClC=CCOCc1cccnc1 e91960dd7784a367068b88511676cf5c [0,0,1,0,0,0|2,0,0]=3 202 B12R1.8 ClC=CCOCc1cccnn1 bf1869d9bcd14a4e3b9dee49630507ad [0,0,1,0,0,0|3,0,0]=4 203 B12R1.8 ClC=CCOCc1cncnc1 b001910998aa3e51042cbd2de924633a [0,0,1,0,0,0|3,0,0]=4 204 B12R1.8 ClCCCNCc1cccnc1 fcf275c1364e995d69fad995850b6783 [0,0,1,0,0,0|1,0,2]=4 205 B12R1.8 FCCCNCc1cccnc1 3a0a9a1e19f91aff9afdabecf3e6a9e9 [0,0,1,0,0,0|1,0,2]=4 206 B12R1.8 FCCNCCc1cccnc1 58b2ab7fc620968122c80079c047b73c [0,0,1,0,0,0|2,0,1]=4 207 B12R1.8 FCCOCCc1cccnc1 957482671423f2e3d0589e435774cdc9 [0,0,1,0,0,0|2,0,1]=4 208 B12R1.8 FCNCCCc1cccnc1 14b609c05aa718f62169111db8c3db9d [0,0,1,0,0,0|2,0,1]=4 209 B12R1.8 FCOCCCc1cccnc1 f5369d800374823eaa516c7467969e5a [0,0,1,0,0,0|2,0,1]=4 210 B12R1.8 ICCNCCc1cccnc1 9a37b912cff3420349bcdd29b8da0796 [0,0,1,0,0,0|2,0,1]=4 211 B12R1.8 N#CC=CCNc1cccnc1 fcc95dd24aa3abb4a5bb908527c52e0f [0,0,1,0,0,0|1,0,2]=4 212 B12R1.8 N#CC=CCOc1cccnc1 154907564adb8d7cc4d5a2f22e58e15c [0,0,1,0,0,0|1,0,2]=4 213 B12R1.8 N#CCCNCc1cccnc1 f83c44c674568c41989c0d1cfce8e987 [0,0,1,0,0,0|1,0,2]=4 214 B12R1.8 N#CSCNCc1cccnc1 681774d729343b810730531195c82215 [0,0,1,0,0,0|2,0,1]=4 215 B12R1.8 NOCCNCc1cccnc1 111a2fd5342dcf2c1ab9382f67cce52f [0,0,1,0,0,0|2,0,1]=4 216 B12R1.8 O/C=C\CNCc1ccccc1 cc7ffd2c4974e7fdfe8e66473dde0504 [0,0,1,0,0,0|2,0,0]=3 217 B12R1.8 O/C=C\CNCc1ccccn1 697d371fb7988146e4e661e4ba711945 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.8 O/C=C\CNCc1cccnc1 1b127bcedabb68854c46a8dc71a531d8 [0,0,1,0,0,0|1,0,0]=2 219 B12R1.8 O/C=C\CNCc1cccnn1 66d77a963373518e1c9086208aaccf6e [0,0,1,0,0,0|2,0,0]=3 220 B12R1.8 O/C=C\CNCc1ccncc1 e1733e2bf9fad3b01d3077b0d7192fe2 [0,0,1,0,0,0|3,0,0]=4 221 B12R1.8 O/C=C\CNCc1ccnnc1 34322558412ba489c0e42412aef3b53d [0,0,1,0,0,0|2,0,0]=3 222 B12R1.8 O/C=C\CNCc1cnccn1 6ac4c86fd2c0e18d10ecc2b739bd2390 [0,0,1,0,0,0|2,0,0]=3 223 B12R1.8 O/C=C\CNCc1cncnc1 11ba60cf49b3745091d75d41a6301e8b [0,0,1,0,0,0|2,0,0]=3 224 B12R1.8 O=CCCNCc1ccccc1 c74469b4a98525e28c41fd68e9d4e654 [0,0,1,0,0,0|2,0,1]=4 225 B12R1.8 O=CCCNCc1cccnc1 9e766e4dfb7e716ba93104c7aee2935d [0,0,1,0,0,0|1,0,1]=3 226 B12R1.8 O=CCCNCc1cccnn1 d7f737877ab1782611c3b728a3f190ba [0,0,1,0,0,0|2,0,1]=4 227 B12R1.8 O=CCCNCc1ccnnc1 7837bc969a2f65c20fa1cc55bfd642fd [0,0,1,0,0,0|2,0,1]=4 228 B12R1.8 O=CCCNCc1cnccn1 acb3eb76a659ea8269c4b2f0641aa436 [0,0,1,0,0,0|2,0,1]=4 229 B12R1.8 O=CCCNCc1cncnc1 678dfc846f721fd7ac70e019a2672beb [0,0,1,0,0,0|2,0,1]=4 230 B12R1.8 O=CCCOCc1cccnc1 c7fa357a1ab2c75fd273ac45039093bb [0,0,1,0,0,0|2,0,1]=4 231 B12R1.8 O=CNCCCc1cccnc1 c95bfdab8fd3dd8cbdcfefe300f961d6 [0,0,1,0,0,0|3,0,0]=4 232 B12R1.8 OCCCNCc1cccnc1 b48c3c866d05056f01b31ecc1dce4b1c [0,0,1,0,0,0|1,0,2]=4 233 B12R1.8 OCCNCCc1cccnc1 5891d48f724f9c6f3ad1caf0a25a85fd [0,0,1,0,0,0|2,0,1]=4 234 B12R1.8 OCNCCCc1cccnc1 5d17832d95f3d6e1e2dbe7e755d7ff68 [0,0,1,0,0,0|2,0,1]=4 235 B12R1.8 SCCCNCc1cccnc1 f92b68cac5fbfc6a7a8fb20332d0deca [0,0,1,0,0,0|1,0,2]=4 236 B12R1.8 SCCNCCc1cccnc1 f05b013db913ccc909ff89417846b387 [0,0,1,0,0,0|2,0,1]=4 237 B12R1.8 SCCOCCc1cccnc1 25c35e21ef3282518885c7aefe7967bd [0,0,1,0,0,0|2,0,1]=4 238 B12R1.30 C#CCNC(C)c1ccccc1 8ed5828c2e258c30367c2a46a0344f1e [0,0,1,0,0,0|1,0,2]=4 239 B12R1.30 C#CCNC(C)c1cccnc1 6ebe0dd03d736579935a567552ceea44 [0,0,1,0,0,0|0,0,2]=3 240 B12R1.30 C#CCNC(C)c1cccnn1 92e9a2121fb6cf555aba6aa9217cd68e [0,0,1,0,0,0|1,0,2]=4 241 B12R1.30 C#CCNC(C)c1ccnnc1 0c302e880366f840bb7c91f8e8cda738 [0,0,1,0,0,0|1,0,2]=4 242 B12R1.30 C#CCNC(C)c1cnccn1 8b3c2fefdc05d27a6919dc4c0b683c4a [0,0,1,0,0,0|1,0,2]=4 243 B12R1.30 C#CCNC(C)c1cncnc1 605f4b23febe350decac85b69c4a07a0 [0,0,1,0,0,0|1,0,2]=4 244 B12R1.30 C#CCN[C@@H](C)c1ccccc1 c2e57a43b39094fb9cc8c5d89eda2aec [0,0,1,0,0,0|1,0,2]=4 245 B12R1.30 C#CCN[C@@H](C)c1cccnc1 8f573fe768361e3d7c0a88b9dea1ffc9 [0,0,1,0,0,0|0,0,2]=3 246 B12R1.30 C#CCN[C@@H](C)c1cncnc1 85673db1de9135078766108b3bb08469 [0,0,1,0,0,0|1,0,2]=4 247 B12R1.30 C#CCN[C@H](C)c1ccccc1 0027d86dcd1350148f8559798567d252 [0,0,1,0,0,0|1,0,2]=4 248 B12R1.30 C#CCN[C@H](C)c1cccnc1 2610035a3d9c472ce43c3e6cfb235316 [0,0,1,0,0,0|0,0,2]=3 249 B12R1.30 C#CCN[C@H](C)c1cncnc1 02f6b66887ab5096f162a6908ad75fca [0,0,1,0,0,0|1,0,2]=4 250 B12R1.30 C#CCOC(C)c1cccnc1 1031bae6a744c2674fe153a0be096d49 [0,0,1,0,0,0|1,0,2]=4 251 B12R1.30 C#CCO[C@@H](C)c1cccnc1 e275418fc7e164614e3ca31d756e8f27 [0,0,1,0,0,0|1,0,2]=4 252 B12R1.30 C#CCO[C@H](C)c1cccnc1 ea646f6373002ec3a2c6d33539b6863c [0,0,1,0,0,0|1,0,2]=4 253 B12R1.30 C/C=C/CN(C)c1ccccc1 6aca716f56cd50a3277e1a725da6237c [0,0,1,0,0,0|3,0,0]=4 254 B12R1.30 C/C=C/CN(C)c1cccnc1 24f4961cfa9883d988b6059a4c2231b0 [0,0,1,0,0,0|2,0,0]=3 255 B12R1.30 C/C=C/CN(C)c1cccnn1 c04a991076c25d96267d18a228e0cf67 [0,0,1,0,0,0|3,0,0]=4 256 B12R1.30 C/C=C/CN(C)c1ccnnc1 375f0edb3affe1806dd6f32624809b5b [0,0,1,0,0,0|3,0,0]=4 257 B12R1.30 C/C=C/CN(C)c1cnccn1 a8e234a0ff8c07718f97ddcd12184f59 [0,0,1,0,0,0|3,0,0]=4 258 B12R1.30 C/C=C/CN(C)c1cncnc1 ecd30570dd2966f83c03e01dc3148a6d [0,0,1,0,0,0|3,0,0]=4 259 B12R1.30 C/C=C\CN(C)c1ccccc1 bf0cb6abe4ab1c9a8756fb864f282d12 [0,0,1,0,0,0|3,0,0]=4 260 B12R1.30 C/C=C\CN(C)c1cccnc1 f0a5bbb2dd6d854255084ca925365332 [0,0,1,0,0,0|2,0,0]=3 261 B12R1.30 C/C=C\CN(C)c1cccnn1 35ba38c3ca5080de388b394c4b1aa0fa [0,0,1,0,0,0|3,0,0]=4 262 B12R1.30 C/C=C\CN(C)c1ccnnc1 21f4242cc07ba6430ef1585ad5cb6a8e [0,0,1,0,0,0|3,0,0]=4 263 B12R1.30 C/C=C\CN(C)c1cnccn1 12920e817e02a27813bab9d396222f43 [0,0,1,0,0,0|3,0,0]=4 264 B12R1.30 C/C=C\CN(C)c1cncnc1 66539bcca8249ab2ee43589f31f27cdf [0,0,1,0,0,0|3,0,0]=4 265 B12R1.30 C=CCCN(C)c1ccccc1 a374f5bd2d62273d4657e1e6ebbd42ca [0,0,1,0,0,0|3,0,0]=4 266 B12R1.30 C=CCCN(C)c1cccnc1 795a29e9b2402c9989702d655eadfe37 [0,0,1,0,0,0|2,0,0]=3 267 B12R1.30 C=CCCN(C)c1cccnn1 648ccca242f737b81c94866b07950acf [0,0,1,0,0,0|3,0,0]=4 268 B12R1.30 C=CCCN(C)c1ccnnc1 1c1137eef4592aa75d6371c9101c5d2e [0,0,1,0,0,0|3,0,0]=4 269 B12R1.30 C=CCCN(C)c1cnccn1 4fb43e2d4e5cb266dd87fc4765572d07 [0,0,1,0,0,0|3,0,0]=4 270 B12R1.30 C=CCCN(C)c1cncnc1 406e5ffb91c6900d63b466439a6fa3fd [0,0,1,0,0,0|3,0,0]=4 271 B12R1.30 C=CCNC(C)c1ccccc1 fa2a8c61f42c61d4674c5e223d49122c [0,0,1,0,0,0|1,0,0]=2 272 B12R1.30 C=CCNC(C)c1ccccn1 c871e35924d1285dbc4ab72286e49e42 [0,0,1,0,0,0|2,0,0]=3 273 B12R1.30 C=CCNC(C)c1cccnc1 0b32b3808df75ac1abc47e7ee443b912 [0,0,1,0,0,0|0,0,0]=1 274 B12R1.30 C=CCNC(C)c1cccnn1 6a2f5ca8e36de8a7bfb011f78e7304b2 [0,0,1,0,0,0|1,0,0]=2 275 B12R1.30 C=CCNC(C)c1ccncc1 457d37e779d21093d016488114dcb381 [0,0,1,0,0,0|2,0,0]=3 276 B12R1.30 C=CCNC(C)c1ccncn1 500984db8b5c9c9f5f4ca0cd4351d923 [0,0,1,0,0,0|3,0,0]=4 277 B12R1.30 C=CCNC(C)c1ccnnc1 2ca7d355a34ddfa041c6a46be0b5e821 [0,0,1,0,0,0|1,0,0]=2 278 B12R1.30 C=CCNC(C)c1cnccn1 f826cd65c2cd068b9e99c8f439102db7 [0,0,1,0,0,0|1,0,0]=2 279 B12R1.30 C=CCNC(C)c1cncnc1 3884975e8b263cf815546735c0aa9f64 [0,0,1,0,0,0|1,0,0]=2 280 B12R1.30 C=CCNC(C)c1ncccn1 583faeb203d1272fc0a7f9e4d4a77adf [0,0,1,0,0,0|3,0,0]=4 281 B12R1.30 C=CCN[C@@H](C)c1ccccc1 600f83b5cdc08e60e339b69a1a0c1bbe [0,0,1,0,0,0|1,0,0]=2 282 B12R1.30 C=CCN[C@@H](C)c1ccccn1 0c83b227f7279b700dffa4249ee218bc [0,0,1,0,0,0|2,0,0]=3 283 B12R1.30 C=CCN[C@@H](C)c1cccnc1 7b67b7d420abac6de0551569def1f471 [0,0,1,0,0,0|0,0,0]=1 284 B12R1.30 C=CCN[C@@H](C)c1ccncc1 9c49d234b6b866013cfdf56282064412 [0,0,1,0,0,0|2,0,0]=3 285 B12R1.30 C=CCN[C@@H](C)c1cncnc1 0b094df63cdcb63e299842b3432ce4e0 [0,0,1,0,0,0|1,0,0]=2 286 B12R1.30 C=CCN[C@H](C)c1ccccc1 d607bf8a84d857931725e26673643b18 [0,0,1,0,0,0|1,0,0]=2 287 B12R1.30 C=CCN[C@H](C)c1ccccn1 5725d2337792d58c3662e47d36012d96 [0,0,1,0,0,0|2,0,0]=3 288 B12R1.30 C=CCN[C@H](C)c1cccnc1 f20826c37a4516ac6b351804865acdcc [0,0,1,0,0,0|0,0,0]=1 289 B12R1.30 C=CCN[C@H](C)c1ccncc1 cb759c8fd44f0e712177b9f777176885 [0,0,1,0,0,0|2,0,0]=3 290 B12R1.30 C=CCN[C@H](C)c1cncnc1 225d6e627c79e9ce4496997ff47f0037 [0,0,1,0,0,0|1,0,0]=2 291 B12R1.30 C=CCOC(C)c1ccccc1 8044d3406b23fdabe4ad5833cf2a8d4b [0,0,1,0,0,0|2,0,0]=3 292 B12R1.30 C=CCOC(C)c1ccccn1 2c53cb9c7cda21871f7c62bd9f43124b [0,0,1,0,0,0|3,0,0]=4 293 B12R1.30 C=CCOC(C)c1cccnc1 6dc91bf2a16463ee0dd83725dc389eb0 [0,0,1,0,0,0|1,0,0]=2 294 B12R1.30 C=CCOC(C)c1cccnn1 fb61b6c0d412df5f45992ed049778f08 [0,0,1,0,0,0|2,0,0]=3 295 B12R1.30 C=CCOC(C)c1ccncc1 b8947c80019239dff85d8a1dbcd28cfa [0,0,1,0,0,0|3,0,0]=4 296 B12R1.30 C=CCOC(C)c1cnccn1 22167fbc934fc0142374816a614e2c0d [0,0,1,0,0,0|2,0,0]=3 297 B12R1.30 C=CCO[C@@H](C)c1ccccc1 a727c5edd06769bc0527d3d68934d138 [0,0,1,0,0,0|2,0,0]=3 298 B12R1.30 C=CCO[C@@H](C)c1ccccn1 5b7bf17d4a8db0cdcc2bae4ca7709554 [0,0,1,0,0,0|3,0,0]=4 299 B12R1.30 C=CCO[C@@H](C)c1cccnc1 f10302f12c22d21fc261424c5814c83d [0,0,1,0,0,0|1,0,0]=2 300 B12R1.30 C=CCO[C@@H](C)c1ccncc1 2893ffb7871937e4302f2c98dc192afa [0,0,1,0,0,0|3,0,0]=4 301 B12R1.30 C=CCO[C@@H](C)c1cnccn1 cde8fd2d11211a43befc9d68b46a189d [0,0,1,0,0,0|2,0,0]=3 302 B12R1.30 C=CCO[C@H](C)c1ccccc1 ff3f82ad85551dde7fcd068107420df1 [0,0,1,0,0,0|2,0,0]=3 303 B12R1.30 C=CCO[C@H](C)c1ccccn1 d9e7624746bfc75b4b233508a3d3ba17 [0,0,1,0,0,0|3,0,0]=4 304 B12R1.30 C=CCO[C@H](C)c1cccnc1 16db09e3b4a277e657db0a14a938e6cb [0,0,1,0,0,0|1,0,0]=2 305 B12R1.30 C=CCO[C@H](C)c1cccnn1 391b4fd7729495668a29ce66fbf02349 [0,0,1,0,0,0|2,0,0]=3 306 B12R1.30 C=CCO[C@H](C)c1ccncc1 0437400eb7314c444380e06acc5edfb1 [0,0,1,0,0,0|3,0,0]=4 307 B12R1.30 C=CCO[C@H](C)c1cnccn1 d4fd749c56e8e4e5ae033e7fc7aa6497 [0,0,1,0,0,0|2,0,0]=3 308 B12R1.30 CC(NCC#N)c1ccccc1 85ca8869c6ae0debccfd66d74dfbe1ee [0,0,1,0,0,0|2,0,1]=4 309 B12R1.30 CC(NCC#N)c1cccnc1 0278633e99d6f7c425c410780262bfe6 [0,0,1,0,0,0|1,0,1]=3 310 B12R1.30 CC(NCC#N)c1cccnn1 1016477863fdc058e2a43cf0f16aebf0 [0,0,1,0,0,0|2,0,1]=4 311 B12R1.30 CC(NCC#N)c1ccnnc1 76c5996dc5ab6b45ba0efafe78a56b5a [0,0,1,0,0,0|2,0,1]=4 312 B12R1.30 CC(NCC#N)c1cnccn1 b19a481e31a115255e86cbec4e6d71cf [0,0,1,0,0,0|2,0,1]=4 313 B12R1.30 CC(NCC#N)c1cncnc1 f7eb476354c9d5a83f8b4dde2a1fc742 [0,0,1,0,0,0|2,0,1]=4 314 B12R1.30 CC(NCC=O)c1ccccc1 d9b90894b15660347d656ab520d55286 [0,0,1,0,0,0|2,0,0]=3 315 B12R1.30 CC(NCC=O)c1ccccn1 e51da0a1ec816ae853b050ab1b623ea4 [0,0,1,0,0,0|3,0,0]=4 316 B12R1.30 CC(NCC=O)c1cccnc1 ca0dede6269c513afb97e253bec5bc41 [0,0,1,0,0,0|1,0,0]=2 317 B12R1.30 CC(NCC=O)c1cccnn1 5a084cad17a666c083b6842f8683b7f9 [0,0,1,0,0,0|2,0,0]=3 318 B12R1.30 CC(NCC=O)c1ccncc1 64bd7073cb84e625f86d2e891c518f41 [0,0,1,0,0,0|3,0,0]=4 319 B12R1.30 CC(NCC=O)c1ccnnc1 a5513dfca1c2d0ecc920dfe0aa0d491d [0,0,1,0,0,0|2,0,0]=3 320 B12R1.30 CC(NCC=O)c1cnccn1 58240be36099296b4e4d20a5323b22c8 [0,0,1,0,0,0|2,0,0]=3 321 B12R1.30 CC(NCC=O)c1cncnc1 37b39f848a221399118e9ae6caf0efa1 [0,0,1,0,0,0|2,0,0]=3 322 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [0,0,1,0,0,0|2,0,1]=4 323 B12R1.30 CC(NCCF)c1cccnc1 98453ca856fdce67138eff6b8a58632f [0,0,1,0,0,0|1,0,1]=3 324 B12R1.30 CC(NCCF)c1cccnn1 378df68c9b7e2731e03bbd35dd26a778 [0,0,1,0,0,0|2,0,1]=4 325 B12R1.30 CC(NCCF)c1ccnnc1 9740fce08eedb48267ffb19a8c28e745 [0,0,1,0,0,0|2,0,1]=4 326 B12R1.30 CC(NCCF)c1cnccn1 526b1964cdeb746d09fbb1d3f5b8d550 [0,0,1,0,0,0|2,0,1]=4 327 B12R1.30 CC(NCCF)c1cncnc1 b5fab07c26ca928d8beb9283d68a7c11 [0,0,1,0,0,0|2,0,1]=4 328 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [0,0,1,0,0,0|2,0,1]=4 329 B12R1.30 CC(NCCO)c1cccnc1 835f2191033f26e623aa2f33664ce4a3 [0,0,1,0,0,0|1,0,1]=3 330 B12R1.30 CC(NCCO)c1cccnn1 71f8c48cc767772398bf86786dbec8a1 [0,0,1,0,0,0|2,0,1]=4 331 B12R1.30 CC(NCCO)c1ccnnc1 adb395705cc8c7fe7c2fb01abe191d21 [0,0,1,0,0,0|2,0,1]=4 332 B12R1.30 CC(NCCO)c1cnccn1 526a392317240d71c4ff3b0c450c61ac [0,0,1,0,0,0|2,0,1]=4 333 B12R1.30 CC(NCCO)c1cncnc1 c9a60323a8fc7107bd0d27781f637fc3 [0,0,1,0,0,0|2,0,1]=4 334 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [0,0,1,0,0,0|2,0,1]=4 335 B12R1.30 CC(NCCS)c1cccnc1 b6e72c7d872edae9d7608a5511e2393b [0,0,1,0,0,0|1,0,1]=3 336 B12R1.30 CC(NCCS)c1cccnn1 ae071c43d16ef9832a90f7dd78efa121 [0,0,1,0,0,0|2,0,1]=4 337 B12R1.30 CC(NCCS)c1ccnnc1 c71cf486d691d62e15c6ebfc9ad8226a [0,0,1,0,0,0|2,0,1]=4 338 B12R1.30 CC(NCCS)c1cnccn1 c7c7823cf6c81384b646f269fa2e3a66 [0,0,1,0,0,0|2,0,1]=4 339 B12R1.30 CC(NCCS)c1cncnc1 47cc8659e801fdf652c40cab1f939180 [0,0,1,0,0,0|2,0,1]=4 340 B12R1.30 CC(OCC#N)c1cccnc1 132525ba6ce124699bcb8c3f526324a2 [0,0,1,0,0,0|2,0,1]=4 341 B12R1.30 CC(OCC=O)c1ccccc1 5c4b88cbd6ba661cea0ad67f126d3e82 [0,0,1,0,0,0|3,0,0]=4 342 B12R1.30 CC(OCC=O)c1cccnc1 b3097ef83a32db03fdb0e8562b127a75 [0,0,1,0,0,0|2,0,0]=3 343 B12R1.30 CC(OCC=O)c1cccnn1 9ec88ea0a7d134723d37f5b82e8cac12 [0,0,1,0,0,0|3,0,0]=4 344 B12R1.30 CC(OCC=O)c1cnccn1 8635e01ff99692969b8540a8f67b6a13 [0,0,1,0,0,0|3,0,0]=4 345 B12R1.30 CC(OCC=O)c1cncnc1 831d73d253530fce927d460c502700a5 [0,0,1,0,0,0|3,0,0]=4 346 B12R1.30 CC(OCCF)c1cccnc1 98746f7ef16d61be172e1b4730ee6c59 [0,0,1,0,0,0|2,0,1]=4 347 B12R1.30 CC(OCCS)c1cccnc1 f4e3b8480b601c42b0835714b4b72018 [0,0,1,0,0,0|2,0,1]=4 348 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,0,1,0,0,0|1,0,2]=4 349 B12R1.30 CCCNC(C)c1cccnc1 ad711bb62eeb1aee43dc7dd8f93d36ef [0,0,1,0,0,0|0,0,2]=3 350 B12R1.30 CCCNC(C)c1cccnn1 91bef6ccf7ab5b1ecc37eea930adc6f3 [0,0,1,0,0,0|1,0,2]=4 351 B12R1.30 CCCNC(C)c1ccnnc1 92bb454339efeb93c55b998861e9b6ed [0,0,1,0,0,0|1,0,2]=4 352 B12R1.30 CCCNC(C)c1cnccn1 4e28ad8415574e3e1ea0b16e481ded74 [0,0,1,0,0,0|1,0,2]=4 353 B12R1.30 CCCNC(C)c1cncnc1 e149169deab31b3a023251888d27e5d7 [0,0,1,0,0,0|1,0,2]=4 354 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,0,1,0,0,0|1,0,2]=4 355 B12R1.30 CCCN[C@@H](C)c1cccnc1 ebfd88cd08246c9c4c8dd5665a36e4de [0,0,1,0,0,0|0,0,2]=3 356 B12R1.30 CCCN[C@@H](C)c1cncnc1 e0cc688319adad961d282fd2eed6a42f [0,0,1,0,0,0|1,0,2]=4 357 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,0,1,0,0,0|1,0,2]=4 358 B12R1.30 CCCN[C@H](C)c1cccnc1 336ef7d0edfb76e914cc3e6724738449 [0,0,1,0,0,0|0,0,2]=3 359 B12R1.30 CCCN[C@H](C)c1cncnc1 794bf871d513f30e574367f324802018 [0,0,1,0,0,0|1,0,2]=4 360 B12R1.30 CCCOC(C)c1cccnc1 b4a5c4f0d8d2d6a3dec1c8ec47f4f20f [0,0,1,0,0,0|1,0,2]=4 361 B12R1.30 CCCO[C@@H](C)c1cccnc1 a6442581c5df29535d93cb8f5fa5694f [0,0,1,0,0,0|1,0,2]=4 362 B12R1.30 CCCO[C@H](C)c1cccnc1 fec7058011aa3e2c96cfd1d3b525aa6e [0,0,1,0,0,0|1,0,2]=4 363 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [0,0,1,0,0,0|2,0,1]=4 364 B12R1.30 CN(C/C=C/Cl)c1cccnc1 3165ae43983d281e169a53a5a75e7865 [0,0,1,0,0,0|3,0,0]=4 365 B12R1.30 CN(C/C=C\Cl)c1cccnc1 ec82b29e3cf8b1bb808643946105b2d4 [0,0,1,0,0,0|3,0,0]=4 366 B12R1.30 CN(C/C=C\O)c1cccnc1 e16ec59fa2f1633a17cad22b91500e7a [0,0,1,0,0,0|3,0,0]=4 367 B12R1.30 CN(CCC=O)c1cccnc1 3fa0e1a755dc12aff0ca6b20bd3cd5bb [0,0,1,0,0,0|3,0,0]=4 368 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,0,1,0,0,0|2,0,1]=4 369 B12R1.30 COCNC(C)c1cccnc1 3b8f3215bb671696fda56e94e8674604 [0,0,1,0,0,0|1,0,1]=3 370 B12R1.30 COCNC(C)c1cccnn1 cf1e0f025ae1123ccfd253eda86c8b19 [0,0,1,0,0,0|2,0,1]=4 371 B12R1.30 COCNC(C)c1ccnnc1 a0653a3f05e57ae0c3f2670713394058 [0,0,1,0,0,0|2,0,1]=4 372 B12R1.30 COCNC(C)c1cnccn1 44f734383c1cb52ec567bd57782cbe4a [0,0,1,0,0,0|2,0,1]=4 373 B12R1.30 COCNC(C)c1cncnc1 6d075a2e78ce5083d38fc36493f9c285 [0,0,1,0,0,0|2,0,1]=4 374 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,0,1,0,0,0|2,0,1]=4 375 B12R1.30 COCN[C@@H](C)c1cccnc1 00ed3ee3fdd3eacbaf23a145cc56829b [0,0,1,0,0,0|1,0,1]=3 376 B12R1.30 COCN[C@@H](C)c1cncnc1 a03d8f3a183baf2f9c4b921bdcfbfd49 [0,0,1,0,0,0|2,0,1]=4 377 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,0,1,0,0,0|2,0,1]=4 378 B12R1.30 COCN[C@H](C)c1cccnc1 221f90621b3face8d5ddf0399a64c75b [0,0,1,0,0,0|1,0,1]=3 379 B12R1.30 COCN[C@H](C)c1cncnc1 b809637cdff44e5858651f9223683843 [0,0,1,0,0,0|2,0,1]=4 380 B12R1.30 COCOC(C)c1cccnc1 643684e61fedf53617fedae92fa75424 [0,0,1,0,0,0|2,0,1]=4 381 B12R1.30 COCO[C@@H](C)c1cccnc1 17fd6c5b51edf6fabed3ef2792222607 [0,0,1,0,0,0|2,0,1]=4 382 B12R1.30 COCO[C@H](C)c1cccnc1 34e6426da9f6f855e9b1fb3a0535c51c [0,0,1,0,0,0|2,0,1]=4 383 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [0,0,1,0,0,0|2,0,1]=4 384 B12R1.30 CSCNC(C)c1cccnc1 2e0743aa860df3163cd3f12a82516611 [0,0,1,0,0,0|1,0,1]=3 385 B12R1.30 CSCNC(C)c1cccnn1 40be2c08787180756293c48e3d82b64b [0,0,1,0,0,0|2,0,1]=4 386 B12R1.30 CSCNC(C)c1ccnnc1 b45420bbaee6b85c5c588d5c9fe41f6c [0,0,1,0,0,0|2,0,1]=4 387 B12R1.30 CSCNC(C)c1cnccn1 35337a01192eeee3a9d9c4cb495f92d6 [0,0,1,0,0,0|2,0,1]=4 388 B12R1.30 CSCNC(C)c1cncnc1 0227225762e48eaf1e9db563d47f61b8 [0,0,1,0,0,0|2,0,1]=4 389 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [0,0,1,0,0,0|2,0,1]=4 390 B12R1.30 CSCN[C@@H](C)c1cccnc1 729bc01cb93be8b0ea771ba31754f9b1 [0,0,1,0,0,0|1,0,1]=3 391 B12R1.30 CSCN[C@@H](C)c1cncnc1 ad0431732b8b4a9f17504ec6530f4255 [0,0,1,0,0,0|2,0,1]=4 392 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [0,0,1,0,0,0|2,0,1]=4 393 B12R1.30 CSCN[C@H](C)c1cccnc1 b29cfc0205d006d4bc36dce8931937fb [0,0,1,0,0,0|1,0,1]=3 394 B12R1.30 CSCN[C@H](C)c1cncnc1 aaed086162b546883419778714c81754 [0,0,1,0,0,0|2,0,1]=4 395 B12R1.30 CSCOC(C)c1cccnc1 506088ce45beb9c36ff46608da654d32 [0,0,1,0,0,0|2,0,1]=4 396 B12R1.30 CSCO[C@@H](C)c1cccnc1 6799e68b88695adbe9845652e8cf13f8 [0,0,1,0,0,0|2,0,1]=4 397 B12R1.30 CSCO[C@H](C)c1cccnc1 730885ff2e1d3d49743ef910d1431b30 [0,0,1,0,0,0|2,0,1]=4 398 B12R1.30 C[C@@H](NCC#N)c1ccccc1 79a0e920b4d897eb15d12e8b6b71cbe9 [0,0,1,0,0,0|2,0,1]=4 399 B12R1.30 C[C@@H](NCC#N)c1cccnc1 b0aa1f85c57c967de6e4fdb728385c10 [0,0,1,0,0,0|1,0,1]=3 400 B12R1.30 C[C@@H](NCC#N)c1cncnc1 11f478438cb286392dbadeb2f9228ee6 [0,0,1,0,0,0|2,0,1]=4 401 B12R1.30 C[C@@H](NCC=O)c1ccccc1 de3c0d8a847d9265ee59861806469e38 [0,0,1,0,0,0|2,0,0]=3 402 B12R1.30 C[C@@H](NCC=O)c1ccccn1 3847a7eda354f4e826d96e4c676fbe2c [0,0,1,0,0,0|3,0,0]=4 403 B12R1.30 C[C@@H](NCC=O)c1cccnc1 05c714ae7545358441cfe68ba338a12a [0,0,1,0,0,0|1,0,0]=2 404 B12R1.30 C[C@@H](NCC=O)c1ccncc1 05749d3fa13ae2238032af43db340e4a [0,0,1,0,0,0|3,0,0]=4 405 B12R1.30 C[C@@H](NCC=O)c1cncnc1 ec2fb6a29dbbc77287d54622ea22393b [0,0,1,0,0,0|2,0,0]=3 406 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [0,0,1,0,0,0|2,0,1]=4 407 B12R1.30 C[C@@H](NCCF)c1cccnc1 12f73e5e559ab85e5122e1a81e53b390 [0,0,1,0,0,0|1,0,1]=3 408 B12R1.30 C[C@@H](NCCF)c1cncnc1 e7edd36cf8c27b2548340ff5fc9d944d [0,0,1,0,0,0|2,0,1]=4 409 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [0,0,1,0,0,0|2,0,1]=4 410 B12R1.30 C[C@@H](NCCO)c1cccnc1 b66a1d2b51096a933fc11fef30758fa0 [0,0,1,0,0,0|1,0,1]=3 411 B12R1.30 C[C@@H](NCCO)c1cncnc1 d5c8314db1b52e6069707bd69563ccb4 [0,0,1,0,0,0|2,0,1]=4 412 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [0,0,1,0,0,0|2,0,1]=4 413 B12R1.30 C[C@@H](NCCS)c1cccnc1 cdf27954c484f85825d6a106da8327f4 [0,0,1,0,0,0|1,0,1]=3 414 B12R1.30 C[C@@H](NCCS)c1cncnc1 c64975689b33dfe50baad0d44d118155 [0,0,1,0,0,0|2,0,1]=4 415 B12R1.30 C[C@@H](OCC#N)c1cccnc1 c28f0920953fb6afab433614112fd422 [0,0,1,0,0,0|2,0,1]=4 416 B12R1.30 C[C@@H](OCC=O)c1ccccc1 2ac21f5d0549ec288424cc0d2265d67c [0,0,1,0,0,0|3,0,0]=4 417 B12R1.30 C[C@@H](OCC=O)c1cccnc1 bd8951b6dc711dfc03d58571a895d792 [0,0,1,0,0,0|2,0,0]=3 418 B12R1.30 C[C@@H](OCC=O)c1cccnn1 bb3b77026faae348d420f4a450a1f526 [0,0,1,0,0,0|3,0,0]=4 419 B12R1.30 C[C@@H](OCC=O)c1cnccn1 8636b456bc8e22fa59a18c574ac735fb [0,0,1,0,0,0|3,0,0]=4 420 B12R1.30 C[C@@H](OCCF)c1cccnc1 6a3742b6aeb10bfd8630f9322804c184 [0,0,1,0,0,0|2,0,1]=4 421 B12R1.30 C[C@@H](OCCS)c1cccnc1 d6da99f8c2b9434d3cc09ce712188144 [0,0,1,0,0,0|2,0,1]=4 422 B12R1.30 C[C@H](NCC#N)c1ccccc1 04ab453e311f4e57bddb16b9d73b093d [0,0,1,0,0,0|2,0,1]=4 423 B12R1.30 C[C@H](NCC#N)c1cccnc1 e7f17e5e9f316ee1aa635650165778ec [0,0,1,0,0,0|1,0,1]=3 424 B12R1.30 C[C@H](NCC#N)c1cncnc1 442433b6bd9fb95a7b1f523e51a6e8d5 [0,0,1,0,0,0|2,0,1]=4 425 B12R1.30 C[C@H](NCC=O)c1ccccc1 a3dc214a4fba86b355b0ede6b011be4e [0,0,1,0,0,0|2,0,0]=3 426 B12R1.30 C[C@H](NCC=O)c1ccccn1 6cfb7096cc21c976fe37a2003ccb317e [0,0,1,0,0,0|3,0,0]=4 427 B12R1.30 C[C@H](NCC=O)c1cccnc1 4982a853b823f7a8d46eb7656e93215a [0,0,1,0,0,0|1,0,0]=2 428 B12R1.30 C[C@H](NCC=O)c1ccncc1 f6f0348ab75fe4ed59fb4023467944d2 [0,0,1,0,0,0|3,0,0]=4 429 B12R1.30 C[C@H](NCC=O)c1cncnc1 e460ae2b739633fb04c3c4b852f89a79 [0,0,1,0,0,0|2,0,0]=3 430 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [0,0,1,0,0,0|2,0,1]=4 431 B12R1.30 C[C@H](NCCF)c1cccnc1 a8765c66d7cc17b491f189e0f6d31357 [0,0,1,0,0,0|1,0,1]=3 432 B12R1.30 C[C@H](NCCF)c1cncnc1 d8326b2e6cfcc88cb5bf675a36a2538d [0,0,1,0,0,0|2,0,1]=4 433 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [0,0,1,0,0,0|2,0,1]=4 434 B12R1.30 C[C@H](NCCO)c1cccnc1 5061f6c061f5b5de0c552bc3e5115a0f [0,0,1,0,0,0|1,0,1]=3 435 B12R1.30 C[C@H](NCCO)c1cncnc1 fe16cd6a2a579f96b81ddf0539c08fcd [0,0,1,0,0,0|2,0,1]=4 436 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [0,0,1,0,0,0|2,0,1]=4 437 B12R1.30 C[C@H](NCCS)c1cccnc1 6cbc88044740d67f6693a909702392fa [0,0,1,0,0,0|1,0,1]=3 438 B12R1.30 C[C@H](NCCS)c1cncnc1 f4a3593c61a7ecd6dfe23592647d81dd [0,0,1,0,0,0|2,0,1]=4 439 B12R1.30 C[C@H](OCC#N)c1cccnc1 2c18bfb7f2602df76595cda4a7a02890 [0,0,1,0,0,0|2,0,1]=4 440 B12R1.30 C[C@H](OCC=O)c1ccccc1 00d569f48b2d6afec7a482be4dffe552 [0,0,1,0,0,0|3,0,0]=4 441 B12R1.30 C[C@H](OCC=O)c1cccnc1 6617dda1a7d57f98c273575fd1bc7689 [0,0,1,0,0,0|2,0,0]=3 442 B12R1.30 C[C@H](OCC=O)c1cnccn1 758ddda1a5a31d226630583ccddfbadb [0,0,1,0,0,0|3,0,0]=4 443 B12R1.30 C[C@H](OCCF)c1cccnc1 56b5df1d6daccd65bac8f52b25674d64 [0,0,1,0,0,0|2,0,1]=4 444 B12R1.30 C[C@H](OCCS)c1cccnc1 5d1eb8a0b2f3130d914871e9f0d962e5 [0,0,1,0,0,0|2,0,1]=4 445 B12R1.30 O=CNCC(O)c1cccnc1 649ef114aa6b94c66d68f5702aa02ff0 [0,0,1,0,0,0|3,0,0]=4 446 B12R2.2 c1c[nH]c(c1)c2ccnnc2 76d8897aad8de801f28d6e4aff3bb1bd [0,0,0,0,1,0|1,0,2]=4 447 B12R2.2 c1c[nH]c(c1)c2cnccn2 f63a5c864aff07f824c78b1cbae8890a [0,0,0,0,1,0|1,0,2]=4 448 B12R2.2 c1c[nH]c(c1)c2cncnc2 10e1b6bfa5c5b095b831a97fa1c3a883 [0,0,0,0,1,0|1,0,2]=4 449 B12R2.2 c1cc(cnn1)c2ncc[nH]2 f4dfd21368dcfd2ce815ae441800c4f6 [0,0,0,0,1,0|2,0,1]=4 450 B12R2.2 c1ccc(cc1)c2ccc[nH]2 31571cc0c476cc0ec85253928e85f3d5 [0,0,0,0,1,0|1,0,2]=4 451 B12R2.2 c1ccc(cc1)c2ncc[nH]2 82a923d5bbc3c477b145edda9503235f [0,0,0,0,1,0|2,0,1]=4 452 B12R2.2 c1cnc(cn1)c2ccn[nH]2 21cc1659a4c95d3a0927a7a80922f33e [0,0,0,0,1,0|2,0,1]=4 453 B12R2.2 c1cnc(cn1)c2ncc[nH]2 19f99c9c14f7129061857b225e5cfb90 [0,0,0,0,1,0|2,0,1]=4 454 B12R2.2 c1cncc(c1)c2cc[nH]c2 6a3c9391f16de8c4db6df809d8f1a780 [0,0,0,0,1,0|2,0,1]=4 455 B12R2.2 c1cncc(c1)c2cc[nH]n2 aeafbe1325c1af37260cfee15639a0ee [0,0,0,0,1,0|1,0,2]=4 456 B12R2.2 c1cncc(c1)c2ccc[nH]2 f1c3e69652a9b85e21419c80019a7625 [0,0,0,0,1,0|0,0,2]=3 457 B12R2.2 c1cncc(c1)c2ccco2 fa36aaa20f1537d247a60065bd2ee876 [0,0,0,0,1,0|1,0,2]=4 458 B12R2.2 c1cncc(c1)c2cccs2 330584b542712289d210f7e407d26bf9 [0,0,0,0,1,0|1,0,2]=4 459 B12R2.2 c1cncc(c1)c2ccno2 2e2118eafdf7f5418750adf7ea0574ad [0,0,0,0,1,0|2,0,1]=4 460 B12R2.2 c1cncc(c1)c2ccns2 5e81bc459d8ef95ef16962c173451fa9 [0,0,0,0,1,0|2,0,1]=4 461 B12R2.2 c1cncc(c1)c2ccoc2 ae3eb0c1c882ca0197b071ebab2a48dd [0,0,0,0,1,0|2,0,1]=4 462 B12R2.2 c1cncc(c1)c2ccon2 4276feaf2f90396fa9e7bf8228145f31 [0,0,0,0,1,0|1,0,2]=4 463 B12R2.2 c1cncc(c1)c2ccsc2 5eb395c1df507ef044a693b566d4df62 [0,0,0,0,1,0|2,0,1]=4 464 B12R2.2 c1cncc(c1)c2ccsn2 b86cdbab90a641bf4881463e0adada0e [0,0,0,0,1,0|1,0,2]=4 465 B12R2.2 c1cncc(c1)c2ncc[nH]2 277543c8f779bab1cae4f3dc1caec91c [0,0,0,0,1,0|1,0,1]=3 466 B12R2.2 c1cncc(c1)c2ncco2 a675aafa36e90e02f087051c15608ba6 [0,0,0,0,1,0|1,0,2]=4 467 B12R2.2 c1cncc(c1)c2nccs2 795fe8316ceded90c020bd2277605e20 [0,0,0,0,1,0|1,0,2]=4 468 B12R2.2 c1cncc(c1)n2cccc2 8bfc693cb4a89e0b86b41053c7ca8597 [0,0,0,0,1,0|1,0,2]=4 469 B12R2.2 c1cncc(c1)n2ccnc2 f8b70e6e71ee37b542518550414307d1 [0,0,0,0,1,0|3,0,0]=4 470 B12R2.2 c1cncc(c1)n2ccnn2 a92dab0a4f83280b73c230cac37ccde7 [0,0,0,0,1,0|2,0,1]=4 471 B12R2.2 c1cnnc(c1)c2ccc[nH]2 fd210710e2b25dc945d6e30e2a46d4ea [0,0,0,0,1,0|1,0,2]=4 472 B12R2.2 c1cnnc(c1)c2ccn[nH]2 b64bfa1c470d3be9da1236609f6dd309 [0,0,0,0,1,0|2,0,1]=4 473 B12R2.2 c1cnnc(c1)c2ncc[nH]2 1bb5b63ccfd4733c90b43d7cd418bd6a [0,0,0,0,1,0|2,0,1]=4 474 B12R2.2 c1ncc(cn1)c2ncc[nH]2 6eb4e1fef901437ae45e88503e01fa93 [0,0,0,0,1,0|2,0,1]=4 475 B14R2.6 C1=CC(CCC1)Nc2cccnc2 facca50f0ac4a1269e54e7a67aacd219 [0,0,0,0,0,1|1,0,2]=4 476 B14R2.6 C1=CC(CCC1)Oc2cccnc2 470ddcb5bb79fc7a53897469c781fcce [0,0,0,0,0,1|1,0,2]=4 477 B14R2.6 C1=CCN(CC1)Cc2ccccc2 13685d0347016bc03110c5c27ba13d2d [0,0,0,0,0,1|3,0,0]=4 478 B14R2.6 C1=CCN(CC1)Cc2cccnc2 01decf882395527c32f96701ce8ab21d [0,0,0,0,0,1|2,0,0]=3 479 B14R2.6 C1=CCN(CC1)Cc2cccnn2 31e6a7b4e01a0ca20578150e57307880 [0,0,0,0,0,1|3,0,0]=4 480 B14R2.6 C1=CCN(CC1)Cc2cncnc2 abf6e000f39a665c76fea2411587952e [0,0,0,0,0,1|3,0,0]=4 481 B14R2.6 c1cncc(c1)NC2CCCCC2 04873a95b73d03b15021eae4a0067192 [0,0,0,0,0,1|1,0,2]=4 482 B14R2.6 c1cncc(c1)NC2CCCOC2 c90ee04c6f0ef6d2a9ee0dfc9d0d3856 [0,0,0,0,0,1|2,0,1]=4 483 B14R2.6 c1cncc(c1)NC2CCOCC2 df9c10dd6a83ea6de19c101ddff8c093 [0,0,0,0,0,1|2,0,1]=4 484 B14R2.6 c1cncc(c1)NC2CCSCC2 f5b8dda059b6b7b3a9993d288836563c [0,0,0,0,0,1|2,0,1]=4 485 B14R2.6 c1cncc(c1)N[C@@H]2CCCOC2 977d88c847a6223b37e5b013de5d11d9 [0,0,0,0,0,1|2,0,1]=4 486 B14R2.6 c1cncc(c1)N[C@H]2CCCOC2 bd4459bce8756994735f9741d33d64a0 [0,0,0,0,0,1|2,0,1]=4 487 B14R2.6 c1cncc(c1)OC2CCCCC2 1997188b8046a355a84de3b27038c5f9 [0,0,0,0,0,1|1,0,2]=4 488 B14R2.6 c1cncc(c1)OC2CCCCO2 418458a7516a043eea7f5c30a22cd79c [0,0,0,0,0,1|1,0,2]=4 489 B14R2.6 c1cncc(c1)OC2CCOCC2 b67e70e5ec472a84a53ae1796c07c341 [0,0,0,0,0,1|2,0,1]=4 490 B14R2.6 c1cncc(c1)OC2CCSCC2 7b074c9ca1386d95422a81a5323fcfdf [0,0,0,0,0,1|2,0,1]=4 491 B11R1.16 C=CCN(C)c1ccccc1 cb57bdb31a063701918aa00f058638bf [1,0,1,0,0,0|2,0,0]=4 492 B11R1.16 C=CCN(C)c1cccnc1 4d9cbfab931614ef9e9cc7b0df80f0bd [1,0,1,0,0,0|1,0,0]=3 493 B11R1.16 C=CCN(C)c1cccnn1 228f57676b89d9268dbfbecda7645d03 [1,0,1,0,0,0|2,0,0]=4 494 B11R1.16 C=CCN(C)c1ccnnc1 6559ec39bc0e8db583e732a82c425583 [1,0,1,0,0,0|2,0,0]=4 495 B11R1.16 C=CCN(C)c1cnccn1 cc787492a46ddbcf60b305b71c24191e [1,0,1,0,0,0|2,0,0]=4 496 B11R1.16 C=CCN(C)c1cncnc1 8880988c3be7d3821ba0b83f402791e3 [1,0,1,0,0,0|2,0,0]=4 497 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [1,0,1,0,0,0|2,0,0]=4 498 B11R1.16 CC(NC=O)c1cccnc1 8993d9f42ad801a00b7dbd874864f118 [1,0,1,0,0,0|1,0,0]=3 499 B11R1.16 CC(NC=O)c1cccnn1 e98c02505f9913fe12149ffc125dfe0e [1,0,1,0,0,0|2,0,0]=4 500 B11R1.16 CC(NC=O)c1ccnnc1 5e6a6ac74d328923dba5ffb40b405cd9 [1,0,1,0,0,0|2,0,0]=4 501 B11R1.16 CC(NC=O)c1cnccn1 b12aa70178da0d6f388963a11219364c [1,0,1,0,0,0|2,0,0]=4 502 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [1,0,1,0,0,0|1,0,0]=3 503 B11R1.16 CC(NCF)c1cccnn1 7e30e545e3f71f315947713193d28c00 [1,0,1,0,0,0|2,0,0]=4 504 B11R1.16 CC(NCF)c1ccnnc1 aa021968e8b143531c7c8ee9afac5e7f [1,0,1,0,0,0|2,0,0]=4 505 B11R1.16 CC(NCF)c1cnccn1 98fa7db5c4884fbbbdf1607e1137c7e9 [1,0,1,0,0,0|2,0,0]=4 506 B11R1.16 CC(NCF)c1cncnc1 e952069764cad51edd561617bd999dbd [1,0,1,0,0,0|2,0,0]=4 507 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [1,0,1,0,0,0|1,0,0]=3 508 B11R1.16 CC(NCO)c1cccnn1 cdc5021fcca39b3957422f2e8bcf1270 [1,0,1,0,0,0|2,0,0]=4 509 B11R1.16 CC(NCO)c1ccnnc1 2e101848f31fcf97ba612ab1eb7820fa [1,0,1,0,0,0|2,0,0]=4 510 B11R1.16 CC(NCO)c1cnccn1 dd375ba3f51181f3178a09958c46ca97 [1,0,1,0,0,0|2,0,0]=4 511 B11R1.16 CC(NCO)c1cncnc1 9fc9ecc98a1b748cf2370860194d8dc5 [1,0,1,0,0,0|2,0,0]=4 512 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [1,0,1,0,0,0|2,0,0]=4 513 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [1,0,1,0,0,0|1,0,1]=4 514 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [1,0,1,0,0,0|0,0,1]=3 515 B11R1.16 CCNC(C)c1cccnn1 efc02f97da2becc35b8d266864811e35 [1,0,1,0,0,0|1,0,1]=4 516 B11R1.16 CCNC(C)c1ccnnc1 0713f69abf6a393210781cec459513ed [1,0,1,0,0,0|1,0,1]=4 517 B11R1.16 CCNC(C)c1cnccn1 3027041055109ccfc9487eb2dd1789f2 [1,0,1,0,0,0|1,0,1]=4 518 B11R1.16 CCNC(C)c1cncnc1 ab3fa3d22d74a84898be02b87f8fd66a [1,0,1,0,0,0|1,0,1]=4 519 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [1,0,1,0,0,0|1,0,1]=4 520 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [1,0,1,0,0,0|0,0,1]=3 521 B11R1.16 CCN[C@@H](C)c1cncnc1 a5c49eac43efe2289be51d06c11c7575 [1,0,1,0,0,0|1,0,1]=4 522 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [1,0,1,0,0,0|1,0,1]=4 523 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [1,0,1,0,0,0|0,0,1]=3 524 B11R1.16 CCN[C@H](C)c1cncnc1 186d78fcf30dda4d736d86a57c2d1693 [1,0,1,0,0,0|1,0,1]=4 525 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [1,0,1,0,0,0|1,0,1]=4 526 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [1,0,1,0,0,0|1,0,1]=4 527 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [1,0,1,0,0,0|1,0,1]=4 528 B11R1.16 CN(CC=O)c1cccnc1 4e735c7da6851d8cd391939506ab7153 [1,0,1,0,0,0|2,0,0]=4 529 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [1,0,1,0,0,0|2,0,0]=4 530 B11R1.16 C[C@@H](NC=O)c1cccnc1 ac95236c8efa48d11de85080c1ed1da7 [1,0,1,0,0,0|1,0,0]=3 531 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [1,0,1,0,0,0|1,0,0]=3 532 B11R1.16 C[C@@H](NCF)c1cncnc1 d2556980dc263894fd6ad9dce0e55681 [1,0,1,0,0,0|2,0,0]=4 533 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [1,0,1,0,0,0|1,0,0]=3 534 B11R1.16 C[C@@H](NCO)c1cncnc1 1c0554ba6fa8c60365eaf20efc996e54 [1,0,1,0,0,0|2,0,0]=4 535 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [1,0,1,0,0,0|2,0,0]=4 536 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [1,0,1,0,0,0|2,0,0]=4 537 B11R1.16 C[C@H](NC=O)c1cccnc1 03b40f19b3a9bf3d85026c98e0fcf432 [1,0,1,0,0,0|1,0,0]=3 538 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [1,0,1,0,0,0|1,0,0]=3 539 B11R1.16 C[C@H](NCF)c1cncnc1 7fe79e612bc0b48ae8a80ef31a10a3fc [1,0,1,0,0,0|2,0,0]=4 540 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [1,0,1,0,0,0|1,0,0]=3 541 B11R1.16 C[C@H](NCO)c1cncnc1 5bbbb0b60e6c2ff1d740a2b5c5c4b1bf [1,0,1,0,0,0|2,0,0]=4 542 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [1,0,1,0,0,0|2,0,0]=4 543 B11R1.28 BrCCNCc1cccnc1 a9888ba9b6c914af5c547c17a572df8f [1,0,1,0,0,0|1,0,1]=4 544 B11R1.28 C#CCNCc1cccnc1 711cdba6849e2f009fb36a9139d4703a [1,0,1,0,0,0|0,0,2]=4 545 B11R1.28 C/C=C/CNc1ccccc1 e02cbeaffef0ff2c4795b558e93457ed [1,0,1,0,0,0|1,0,0]=3 546 B11R1.28 C/C=C/CNc1ccccn1 5a61b9aee47fe046ef4ac884866e0a57 [1,0,1,0,0,0|2,0,0]=4 547 B11R1.28 C/C=C/CNc1cccnc1 016f8674f0de62bc0968120f36183bbf [1,0,1,0,0,0|0,0,0]=2 548 B11R1.28 C/C=C/CNc1cccnn1 f2722efdd8c7a96c49ca7f5ad54e30e9 [1,0,1,0,0,0|1,0,0]=3 549 B11R1.28 C/C=C/CNc1ccncc1 fa31f47fa5bc1ec1ccb1bf7f45f30dc4 [1,0,1,0,0,0|2,0,0]=4 550 B11R1.28 C/C=C/CNc1ccnnc1 3c284fe8ce61c7b7d2614f97cba1752a [1,0,1,0,0,0|1,0,0]=3 551 B11R1.28 C/C=C/CNc1cnccn1 5d6aa3ff812a6eaf94686ca08968ea31 [1,0,1,0,0,0|1,0,0]=3 552 B11R1.28 C/C=C/CNc1cncnc1 c36ab4308636aa21b6712737649708c2 [1,0,1,0,0,0|1,0,0]=3 553 B11R1.28 C/C=C/CNc1cnncn1 38363ad2bc2d7c3a6c0676f51ff9bdd4 [1,0,1,0,0,0|2,0,0]=4 554 B11R1.28 C/C=C/CNc1nccnn1 7cb1ffb76fec5990e045c63c1707bb7a [1,0,1,0,0,0|2,0,0]=4 555 B11R1.28 C/C=C/COc1cccnc1 182aabd1e115f20a2221ff63f4609b70 [1,0,1,0,0,0|1,0,0]=3 556 B11R1.28 C/C=C/COc1ccnnc1 ee3d497ed7c7c1536bc89ab3bba58825 [1,0,1,0,0,0|2,0,0]=4 557 B11R1.28 C/C=C/COc1cnccn1 85823c1c6d2023da6588af5580a5caba [1,0,1,0,0,0|2,0,0]=4 558 B11R1.28 C/C=C/COc1cncnc1 60cddcb259db3d082c31b5ae32444894 [1,0,1,0,0,0|2,0,0]=4 559 B11R1.28 C/C=C\CNc1ccccc1 f25f4c9ee5d52b5a340bd4a7fd720817 [1,0,1,0,0,0|1,0,0]=3 560 B11R1.28 C/C=C\CNc1ccccn1 c173af20e99f83d9a5c456a592ef1e15 [1,0,1,0,0,0|2,0,0]=4 561 B11R1.28 C/C=C\CNc1cccnc1 be373d2993e9bf82390bd09b9626574e [1,0,1,0,0,0|0,0,0]=2 562 B11R1.28 C/C=C\CNc1cccnn1 5389b866a2827f6da2d81bab7189280b [1,0,1,0,0,0|1,0,0]=3 563 B11R1.28 C/C=C\CNc1ccncc1 a87b6e6c7832e2cb33ea74aa8e2c65c1 [1,0,1,0,0,0|2,0,0]=4 564 B11R1.28 C/C=C\CNc1ccnnc1 9f955636b355d20fd1caba3874ffd77e [1,0,1,0,0,0|1,0,0]=3 565 B11R1.28 C/C=C\CNc1cnccn1 7027c690ceaa69d20b23aebd92f8f62a [1,0,1,0,0,0|1,0,0]=3 566 B11R1.28 C/C=C\CNc1cncnc1 101ad2abee6fe0dbcdfe62a5831ebfff [1,0,1,0,0,0|1,0,0]=3 567 B11R1.28 C/C=C\CNc1cnncn1 11687f2072e073bfb4099b085c32a2a0 [1,0,1,0,0,0|2,0,0]=4 568 B11R1.28 C/C=C\CNc1nccnn1 ae5c6bfccac10c8f863ed0384c125211 [1,0,1,0,0,0|2,0,0]=4 569 B11R1.28 C/C=C\COc1cccnc1 d486f9f7e5b795e5a8aedabfa7f6ce63 [1,0,1,0,0,0|1,0,0]=3 570 B11R1.28 C/C=C\COc1ccnnc1 b2ea6c378b46c47eec1c8d47fa2d2eae [1,0,1,0,0,0|2,0,0]=4 571 B11R1.28 C/C=C\COc1cnccn1 c00ea75da659218ea75bb003849efbfc [1,0,1,0,0,0|2,0,0]=4 572 B11R1.28 C/C=C\COc1cncnc1 2ae4ce32a578e2f47ebd2e77fd5ba6a0 [1,0,1,0,0,0|2,0,0]=4 573 B11R1.28 C=CCCNc1cccnc1 037ab6e30e93fe1574bf3e5b2653f3ce [1,0,1,0,0,0|0,0,2]=4 574 B11R1.28 C=CCCOc1cccnc1 7769faf927b2f71c466a04dbb21eb775 [1,0,1,0,0,0|2,0,0]=4 575 B11R1.28 C=CCNCc1ccccc1 c3088ea78b0f7fe35bdb5a0a79f4eb2a [1,0,1,0,0,0|1,0,0]=3 576 B11R1.28 C=CCNCc1ccccn1 e7bb58472b2cfc748af211be177c817f [1,0,1,0,0,0|2,0,0]=4 577 B11R1.28 C=CCNCc1cccnc1 be26afa279edaf46ac71e1a8a3eef3c3 [1,0,1,0,0,0|0,0,0]=2 578 B11R1.28 C=CCNCc1cccnn1 b341bf8e0f00c8d18557c09a9cfcdb90 [1,0,1,0,0,0|1,0,0]=3 579 B11R1.28 C=CCNCc1ccncc1 ad520e95b5ba55b21ba42b353a30e560 [1,0,1,0,0,0|2,0,0]=4 580 B11R1.28 C=CCNCc1ccnnc1 683af2cb5048bfd4f75ae5c5a486b799 [1,0,1,0,0,0|1,0,0]=3 581 B11R1.28 C=CCNCc1cnccn1 24cfbc0193223b0523fcef83caaa72f4 [1,0,1,0,0,0|1,0,0]=3 582 B11R1.28 C=CCNCc1cncnc1 f7a633afb7d5874d3248ff5e6df52a9f [1,0,1,0,0,0|1,0,0]=3 583 B11R1.28 C=CCOCc1ccccc1 38f1b42f9627b73302287ed7d9c08f3f [1,0,1,0,0,0|2,0,0]=4 584 B11R1.28 C=CCOCc1cccnc1 92e03930f4ecbaf48abeac351fe5f708 [1,0,1,0,0,0|1,0,0]=3 585 B11R1.28 C=CCOCc1cccnn1 ec05b2f649093fc8ecfa46041443e56d [1,0,1,0,0,0|2,0,0]=4 586 B11R1.28 C=CCOCc1ccnnc1 f1107f2742fcc13d509f66fd3e38a8b0 [1,0,1,0,0,0|2,0,0]=4 587 B11R1.28 C=CCOCc1cnccn1 0fe8f6b1b5ee2d286128d9df862f343c [1,0,1,0,0,0|2,0,0]=4 588 B11R1.28 C=CCOCc1cncnc1 4f1e92bb0baa0cd6f4a823942c8ae64b [1,0,1,0,0,0|2,0,0]=4 589 B11R1.28 CC=CCNc1ccccc1 c43b41b8b675349badfe26c48e3f7c5f [1,0,1,0,0,0|1,0,0]=3 590 B11R1.28 CC=CCNc1ccccn1 dff63d253924f7dd0d25e5ccec37e70c [1,0,1,0,0,0|2,0,0]=4 591 B11R1.28 CC=CCNc1cccnc1 712a10215e7a39b6e923461fbfb9f854 [1,0,1,0,0,0|0,0,0]=2 592 B11R1.28 CC=CCNc1cccnn1 1be6081791fa1a05b9d684d053d41258 [1,0,1,0,0,0|1,0,0]=3 593 B11R1.28 CC=CCNc1ccncc1 0b02037bf9ae4c647d4431b3d00b040e [1,0,1,0,0,0|2,0,0]=4 594 B11R1.28 CC=CCNc1ccnnc1 822d45d1587b77d8c1e10a753237d3ec [1,0,1,0,0,0|1,0,0]=3 595 B11R1.28 CC=CCNc1cnccn1 624a4e385f3a26516887975ae8830dc4 [1,0,1,0,0,0|1,0,0]=3 596 B11R1.28 CC=CCNc1cncnn1 4ae22734a6613ebc4bdabe33d914a711 [1,0,1,0,0,0|2,0,0]=4 597 B11R1.28 CCCCNc1cccnc1 b72453a6fd2f6ec63a951a849bd6d4ab [1,0,1,0,0,0|0,0,2]=4 598 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [1,0,1,0,0,0|1,0,1]=4 599 B11R1.28 CCCNCc1cccnc1 bc1eb1c5ec13776685acded27d44c636 [1,0,1,0,0,0|0,0,1]=3 600 B11R1.28 CCCNCc1cccnn1 f9771734910ebcad90f8cb14178ca09d [1,0,1,0,0,0|1,0,1]=4 601 B11R1.28 CCCNCc1ccnnc1 f0dc052fccb98d09ed6a02caf7ad77f6 [1,0,1,0,0,0|1,0,1]=4 602 B11R1.28 CCCNCc1cnccn1 c9890f6f5a4e09bed341b3daf3b2c549 [1,0,1,0,0,0|1,0,1]=4 603 B11R1.28 CCCNCc1cncnc1 b63f5b77d0d35d3228827f3601ca0c32 [1,0,1,0,0,0|1,0,1]=4 604 B11R1.28 CCCOCc1cccnc1 02843d33c5a54d2140670eb60a4dfb7b [1,0,1,0,0,0|1,0,1]=4 605 B11R1.28 CCNCCc1cccnc1 4a3a0c73e4e732e57ab84a312bb6bfb2 [1,0,1,0,0,0|1,0,1]=4 606 B11R1.28 CCOCCc1cccnc1 fde9743ce24696d5aa5aa82dfaaaf4a7 [1,0,1,0,0,0|1,0,1]=4 607 B11R1.28 CCOCNc1cccnc1 d3b3fa022b30954b0290fed1cdafa77a [1,0,1,0,0,0|1,0,1]=4 608 B11R1.28 COCCNc1cccnc1 3616fb0bfda365de01dc790c24f19ca2 [1,0,1,0,0,0|1,0,1]=4 609 B11R1.28 COCNCc1ccccc1 658bb4bb78d053244c07843f6f02f062 [1,0,1,0,0,0|2,0,0]=4 610 B11R1.28 COCNCc1cccnc1 35b8b6083a32f9db8795c63f618b2f12 [1,0,1,0,0,0|1,0,0]=3 611 B11R1.28 COCNCc1cccnn1 9aaebdac9b44cb036a6c4efec8b145a8 [1,0,1,0,0,0|2,0,0]=4 612 B11R1.28 COCNCc1ccnnc1 91ec9d828765b6f8e6a58cf0ac261f9e [1,0,1,0,0,0|2,0,0]=4 613 B11R1.28 COCNCc1cnccn1 e7da00a079ae82f27242b20b43289b5a [1,0,1,0,0,0|2,0,0]=4 614 B11R1.28 COCNCc1cncnc1 2058c0eb2ce28060d15b1139995c356c [1,0,1,0,0,0|2,0,0]=4 615 B11R1.28 COCOCc1cccnc1 f4d73442b3dd40c1495fadfe4fccda61 [1,0,1,0,0,0|2,0,0]=4 616 B11R1.28 CSCCNc1cccnc1 5c27e85010b1a349b69a05e89d2c3c43 [1,0,1,0,0,0|1,0,1]=4 617 B11R1.28 CSCNCc1ccccc1 5b3aef5f0ecdedc4b2903ec980e5dc72 [1,0,1,0,0,0|2,0,0]=4 618 B11R1.28 CSCNCc1cccnc1 3f297bb785f90b40b12fe1a85e9c71ce [1,0,1,0,0,0|1,0,0]=3 619 B11R1.28 CSCNCc1cccnn1 38a48aae0f10e8a8a408eb551a279969 [1,0,1,0,0,0|2,0,0]=4 620 B11R1.28 CSCNCc1ccnnc1 8d2b04cf6eb63860beabeb2b9faffca0 [1,0,1,0,0,0|2,0,0]=4 621 B11R1.28 CSCNCc1cnccn1 b6d98476646f609643b9e079c1ea699d [1,0,1,0,0,0|2,0,0]=4 622 B11R1.28 CSCNCc1cncnc1 f50e982b38f9ef3566ed2036e5763e44 [1,0,1,0,0,0|2,0,0]=4 623 B11R1.28 CSCOCc1cccnc1 43f679691f8dba66a7e0f36103db118e [1,0,1,0,0,0|2,0,0]=4 624 B11R1.28 Cl/C=C/CNc1ccccc1 2c44d12ba68cdacdd9e9917c4f75a2d7 [1,0,1,0,0,0|2,0,0]=4 625 B11R1.28 Cl/C=C/CNc1cccnc1 4c880db362d0bb5599ebb3569229cd20 [1,0,1,0,0,0|1,0,0]=3 626 B11R1.28 Cl/C=C/CNc1cccnn1 ef2cd1de57de01592d5a32b218c0f6b3 [1,0,1,0,0,0|2,0,0]=4 627 B11R1.28 Cl/C=C/CNc1ccnnc1 a473d54e834d2650e267c05f496068b3 [1,0,1,0,0,0|2,0,0]=4 628 B11R1.28 Cl/C=C/CNc1cnccn1 e8671713dc6a06cebb41104eaae1499e [1,0,1,0,0,0|2,0,0]=4 629 B11R1.28 Cl/C=C/CNc1cncnc1 7ba93a09c54ccb8b7a1b1744a1a4a1e6 [1,0,1,0,0,0|2,0,0]=4 630 B11R1.28 Cl/C=C/COc1cccnc1 958f62ca3222776039624c998ece50d6 [1,0,1,0,0,0|2,0,0]=4 631 B11R1.28 Cl/C=C\CNc1ccccc1 99831c517c8f2e8a372e55388ab37fa9 [1,0,1,0,0,0|2,0,0]=4 632 B11R1.28 Cl/C=C\CNc1cccnc1 5928728b468f916ad207769df539dde6 [1,0,1,0,0,0|1,0,0]=3 633 B11R1.28 Cl/C=C\CNc1cccnn1 08358075a06fbb65fec12f02ebc9746f [1,0,1,0,0,0|2,0,0]=4 634 B11R1.28 Cl/C=C\CNc1ccnnc1 01a5d7dbdaecec8e8b6c1a541df716e9 [1,0,1,0,0,0|2,0,0]=4 635 B11R1.28 Cl/C=C\CNc1cnccn1 fcc2e741b817023bf28c61cda14bd03e [1,0,1,0,0,0|2,0,0]=4 636 B11R1.28 Cl/C=C\CNc1cncnc1 7fc8748bad2bb95dfdc9007f320c6dc5 [1,0,1,0,0,0|2,0,0]=4 637 B11R1.28 Cl/C=C\COc1cccnc1 9e789e51d37bdaa0eeeaf628165830d4 [1,0,1,0,0,0|2,0,0]=4 638 B11R1.28 FCCNCc1cccnc1 baa596bf0364075f3290f4a60a205b9b [1,0,1,0,0,0|1,0,1]=4 639 B11R1.28 FCNCCc1cccnc1 ca44ff0aa2770a7476d8fe29ab7de27f [1,0,1,0,0,0|2,0,0]=4 640 B11R1.28 FCOCCc1cccnc1 95fb7ccc93ac5365251261a770f3e438 [1,0,1,0,0,0|2,0,0]=4 641 B11R1.28 ICCNCc1cccnc1 7ed4e3e46a4c12f8a4c531489f3ab39c [1,0,1,0,0,0|1,0,1]=4 642 B11R1.28 N#CCNCc1cccnc1 7a0aea235690da4baa75cb6725d4f197 [1,0,1,0,0,0|1,0,1]=4 643 B11R1.28 O/C=C\CNc1ccccc1 8e43d75b756e053c042884ec195cf7a7 [1,0,1,0,0,0|2,0,0]=4 644 B11R1.28 O/C=C\CNc1cccnc1 de9757e1e7a0fdccd35f1dc1824af66e [1,0,1,0,0,0|1,0,0]=3 645 B11R1.28 O/C=C\CNc1cccnn1 e52ad279909108c36bfaee0ce998c614 [1,0,1,0,0,0|2,0,0]=4 646 B11R1.28 O/C=C\CNc1ccnnc1 045c548fd4be5bb2d635592edd2bdf04 [1,0,1,0,0,0|2,0,0]=4 647 B11R1.28 O/C=C\CNc1cnccn1 42856907adf1463c572cd4925a22f64f [1,0,1,0,0,0|2,0,0]=4 648 B11R1.28 O/C=C\CNc1cncnc1 ce604438bd7dfd42b91ad2a4591afafc [1,0,1,0,0,0|2,0,0]=4 649 B11R1.28 O=CCCNc1cccnc1 a3473d91dffc2b66146c1b6c0418e707 [1,0,1,0,0,0|1,0,1]=4 650 B11R1.28 O=CCNCc1ccccc1 2b4b8121ff6ad050b40b87d13d8f5a1a [1,0,1,0,0,0|2,0,0]=4 651 B11R1.28 O=CCNCc1cccnc1 71156a498cf22bdb96a0af181206c6a0 [1,0,1,0,0,0|1,0,0]=3 652 B11R1.28 O=CCNCc1cccnn1 3ec681ab244f7edd9eb873abea35a09f [1,0,1,0,0,0|2,0,0]=4 653 B11R1.28 O=CCNCc1ccnnc1 a17471d121aa9e112cf97c0420a1d11c [1,0,1,0,0,0|2,0,0]=4 654 B11R1.28 O=CCNCc1cnccn1 64e87f3a1a44784468df29ec03c2080d [1,0,1,0,0,0|2,0,0]=4 655 B11R1.28 O=CCNCc1cncnc1 b00d24c8d75610af6227460f74e9d98c [1,0,1,0,0,0|2,0,0]=4 656 B11R1.28 O=CCOCc1cccnc1 1483cff9cc1509b24b62f7b70d468a72 [1,0,1,0,0,0|2,0,0]=4 657 B11R1.28 O=CNCCc1cccnc1 5111296cce1960f11ad77b3eaf87d913 [1,0,1,0,0,0|2,0,0]=4 658 B11R1.28 OCCNCc1cccnc1 882a81680203d781920d7144e525a6cd [1,0,1,0,0,0|1,0,1]=4 659 B11R1.28 OCNCCc1cccnc1 5a238842d821729331c809bafe95118a [1,0,1,0,0,0|2,0,0]=4 660 B11R1.28 SCCNCc1cccnc1 8ab6cc5726329dc3b917c71b0e8e3a12 [1,0,1,0,0,0|1,0,1]=4 661 B13R1.1 C=CCN(CC)c1ccc(nc1)Cl fe5de727bd917467b51e0908b339e7c9 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.1 CCN[C@H](CO)c1ccc(nc1)Br b29d805e5f803bea41d7d102fdbb43a4 [0,1,1,0,0,0|1,0,1]=4 663 B13R1.1 OCN[C@H](CO)c1ccc(nc1)Br c24f0996116016441bb2887e9d9eaade [0,1,1,0,0,0|2,0,0]=4 664 B13R1.1 OC[C@@H](NCF)c1ccc(nc1)Br 212f8794efbe46f6a5dd73ce1af39a3b [0,1,1,0,0,0|2,0,0]=4 665 B13R1.2 CCC(NCF)c1cncc(c1)F 556a8b22cb517ec659bfd3a491f19a64 [0,1,1,0,0,0|1,0,1]=4 666 B13R1.2 CCC(NCO)c1cncc(c1)F 6ebc54a5cb87c38da2cfff56b7655457 [0,1,1,0,0,0|1,0,1]=4 667 B13R1.2 CCNC(CC)c1cncc(c1)F 73882f88cd4c85d0051340c2a238fc4a [0,1,1,0,0,0|0,0,2]=4 668 B13R1.26 C#CCNC(CC)c1cccnc1 f80b566a1ec474ab4cc16d649e5d1814 [0,1,1,0,0,0|0,0,2]=4 669 B13R1.26 C#CCNC(CO)c1cccnc1 4b4827539b29bea9c2196db4ed449b7b [0,1,1,0,0,0|1,0,1]=4 670 B13R1.26 C#CCN[C@@H](CO)c1cccnc1 9ff37824a1e449fa9965d18a2c1627c1 [0,1,1,0,0,0|1,0,1]=4 671 B13R1.26 C#CCN[C@H](CO)c1cccnc1 db7868597387a654006d9f72a4da9bc9 [0,1,1,0,0,0|1,0,1]=4 672 B13R1.26 C/C=C/CN(CC)c1cccnc1 eff3d9fac8537a3d7e6af41cad013ceb [0,1,1,0,0,0|2,0,0]=4 673 B13R1.26 C/C=C\CN(CC)c1cccnc1 62dc0b3e3ac3398fec58925212ba2694 [0,1,1,0,0,0|2,0,0]=4 674 B13R1.26 C=CC(NCC=O)c1ccccc1 554a68b281071a72858b965a9f4dee92 [0,1,1,0,0,0|1,0,1]=4 675 B13R1.26 C=CCCN(CC)c1cccnc1 6f88a44ec10d7f82aa39937bbf4e583a [0,1,1,0,0,0|2,0,0]=4 676 B13R1.26 C=CCNC(C#N)c1cccnc1 5b3ed526c3d9348470910f0310034c13 [0,1,1,0,0,0|1,0,1]=4 677 B13R1.26 C=CCNC(C=C)c1ccccc1 2c44c0047d144fdfbec81bc6ec1c0dbc [0,1,1,0,0,0|1,0,1]=4 678 B13R1.26 C=CCNC(CC)c1ccccc1 39ae4afe0f5979009e61cad5369e1e99 [0,1,1,0,0,0|1,0,1]=4 679 B13R1.26 C=CCNC(CC)c1cccnc1 1e0b899946dd4e3fd8324cf45491b1ac [0,1,1,0,0,0|0,0,1]=3 680 B13R1.26 C=CCNC(CC)c1cnccn1 87aae98ac25e4ac8b63c95d2d884ba88 [0,1,1,0,0,0|1,0,1]=4 681 B13R1.26 C=CCNC(CO)c1ccccc1 28c42b87c8834687b879c77832e223c4 [0,1,1,0,0,0|2,0,0]=4 682 B13R1.26 C=CCNC(CO)c1cccnc1 8df427d65e1514e0bb2911f5c6ab1a34 [0,1,1,0,0,0|1,0,0]=3 683 B13R1.26 C=CCN[C@@H](C=C)c1ccccc1 6734a7fe71bc34c208bf603e24387a75 [0,1,1,0,0,0|1,0,1]=4 684 B13R1.26 C=CCN[C@@H](CC)c1ccccc1 65b3b177ff5ad11f7c1a568648f85431 [0,1,1,0,0,0|1,0,1]=4 685 B13R1.26 C=CCN[C@@H](CF)c1ccccc1 fe975c3739696371f44c65ad6dd9e88b [0,1,1,0,0,0|2,0,0]=4 686 B13R1.26 C=CCN[C@@H](CO)c1ccccc1 8ee3432cc3ed4a3a5108dae837d48ddc [0,1,1,0,0,0|2,0,0]=4 687 B13R1.26 C=CCN[C@@H](CO)c1cccnc1 92885caaeaec204bc7a98f4bc70e8f18 [0,1,1,0,0,0|1,0,0]=3 688 B13R1.26 C=CCN[C@H](C=C)c1ccccc1 a6d4e9f2aeb3f6d6097a36d13d279f8e [0,1,1,0,0,0|1,0,1]=4 689 B13R1.26 C=CCN[C@H](CC)c1ccccc1 73346a06b9cd674c3af0267751a0dc78 [0,1,1,0,0,0|1,0,1]=4 690 B13R1.26 C=CCN[C@H](CO)c1ccccc1 23f4a848adc5cc3b42a6b5c237c27d90 [0,1,1,0,0,0|2,0,0]=4 691 B13R1.26 C=CCN[C@H](CO)c1cccnc1 6fd9f38a58bfea1c43a64da3988e2f6b [0,1,1,0,0,0|1,0,0]=3 692 B13R1.26 C=CCOC(C#N)c1cccnc1 bb8b8e5e1e380c68f3781fd122b5232b [0,1,1,0,0,0|2,0,0]=4 693 B13R1.26 C=CCOC(CC)c1ccccc1 7de1f62c2680919bccf9455a38cd5487 [0,1,1,0,0,0|2,0,0]=4 694 B13R1.26 C=CCO[C@@H](CC)c1ccccc1 9d203c9d49ee6e95dd5c3a11857451fc [0,1,1,0,0,0|2,0,0]=4 695 B13R1.26 C=CCO[C@H](CC)c1ccccc1 016e2b32220fbf5879a090e68c1fe7b4 [0,1,1,0,0,0|2,0,0]=4 696 B13R1.26 C=C[C@@H](NCC=O)c1ccccc1 3310b6a3f6df9c394732cd9fa9d5265c [0,1,1,0,0,0|1,0,1]=4 697 B13R1.26 C=C[C@H](NCC=O)c1ccccc1 16df17267ad2ab142471f7e45fa352fc [0,1,1,0,0,0|1,0,1]=4 698 B13R1.26 CCC(NCC#N)c1cccnc1 34aee7a497f2e7c9219cc6ac5e88da62 [0,1,1,0,0,0|0,0,2]=4 699 B13R1.26 CCC(NCC=O)c1ccccc1 95f0712696bae22d12c6f2f89a4ab0af [0,1,1,0,0,0|1,0,1]=4 700 B13R1.26 CCC(NCC=O)c1cccnc1 d02c6006316f728fcbb626bc47cfb7cc [0,1,1,0,0,0|0,0,1]=3 701 B13R1.26 CCC(NCC=O)c1cnccn1 d70e856ee1d0205fa157eb2c7105c3bc [0,1,1,0,0,0|1,0,1]=4 702 B13R1.26 CCC(NCCF)c1cccnc1 dc79d5414c9c2a0081390cb688c830ec [0,1,1,0,0,0|0,0,2]=4 703 B13R1.26 CCC(NCCO)c1cccnc1 b0ea0a1e801f7bae923b45406cd5ad76 [0,1,1,0,0,0|0,0,2]=4 704 B13R1.26 CCC(NCCS)c1cccnc1 9d2e279de6f391efc7d01d7a64a7ef8f [0,1,1,0,0,0|0,0,2]=4 705 B13R1.26 CCC(NCOC)c1cccnc1 afea20d419da3aadc6d6fb49080601e1 [0,1,1,0,0,0|0,0,2]=4 706 B13R1.26 CCC(NCSC)c1cccnc1 faf2fc992ce586428768c5030c042036 [0,1,1,0,0,0|0,0,2]=4 707 B13R1.26 CCCNC(CC)c1cccnc1 4c32138d7836cae5e70905dd20589273 [0,1,1,0,0,0|0,0,2]=4 708 B13R1.26 CCCNC(CO)c1cccnc1 94d02a66e0619c4e5fd5f4fd81d9ec53 [0,1,1,0,0,0|1,0,1]=4 709 B13R1.26 CCCN[C@@H](CO)c1cccnc1 d7fd69f12f779bb23a02186588b30614 [0,1,1,0,0,0|1,0,1]=4 710 B13R1.26 CCCN[C@H](CO)c1cccnc1 8dcdbacac97304cf06dfe737e18d10ee [0,1,1,0,0,0|1,0,1]=4 711 B13R1.26 CCN(C/C=C/Cl)c1cccnc1 c976569680db3b05f14b746cb9792872 [0,1,1,0,0,0|2,0,0]=4 712 B13R1.26 CCN(C/C=C\Cl)c1cccnc1 c573c00d4f9f3e96caf2abda25af5052 [0,1,1,0,0,0|2,0,0]=4 713 B13R1.26 CCN(C/C=C\O)c1cccnc1 02a0e0162deb3111fc15176f4ca000b0 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.26 CC[C@@H](NCC=O)c1ccccc1 3d1ae1dfcea40d314ce7e328dc316861 [0,1,1,0,0,0|1,0,1]=4 715 B13R1.26 CC[C@H](NCC=O)c1ccccc1 33e6c884e365733829f389a52f4be184 [0,1,1,0,0,0|1,0,1]=4 716 B13R1.26 COCNC(CO)c1cccnc1 0a5dd068862eedc34a0c4e1e9a8e9333 [0,1,1,0,0,0|1,0,1]=4 717 B13R1.26 COCN[C@@H](CO)c1cccnc1 52bc529d3819f7a9702831c0f302059f [0,1,1,0,0,0|1,0,1]=4 718 B13R1.26 COCN[C@H](CO)c1cccnc1 c29ef275435f319dc8769aa357c0571c [0,1,1,0,0,0|1,0,1]=4 719 B13R1.26 CSCNC(CO)c1cccnc1 0bc52cb4a0868d5e4eb705fdef886113 [0,1,1,0,0,0|1,0,1]=4 720 B13R1.26 CSCN[C@@H](CO)c1cccnc1 fe6522e9f4f2643d844a7b2ec97be038 [0,1,1,0,0,0|1,0,1]=4 721 B13R1.26 CSCN[C@H](CO)c1cccnc1 9ba27e0d07012e39937430ee237c8329 [0,1,1,0,0,0|1,0,1]=4 722 B13R1.26 N#CC(NCC=O)c1cccnc1 ce28fbd14345fedc6a1685c81409384b [0,1,1,0,0,0|1,0,1]=4 723 B13R1.26 N#CCNC(CO)c1cccnc1 3a7dc8fc9187689be66f5c6f8edb3321 [0,1,1,0,0,0|1,0,1]=4 724 B13R1.26 N#CCN[C@@H](CO)c1cccnc1 de86c80cbf6013e7f589f81cb1213cc9 [0,1,1,0,0,0|1,0,1]=4 725 B13R1.26 N#CCN[C@H](CO)c1cccnc1 8cc5e9d75139745bc581a51f8cef0066 [0,1,1,0,0,0|1,0,1]=4 726 B13R1.26 O=CCNC(CO)c1ccccc1 c1d84000a6b89ddccf1d9ad3c7607963 [0,1,1,0,0,0|2,0,0]=4 727 B13R1.26 O=CCNC(CO)c1cccnc1 cb3e7a1025747ee4f73136dab501cf9c [0,1,1,0,0,0|1,0,0]=3 728 B13R1.26 O=CCN[C@@H](CF)c1ccccc1 f7326b6e38f7746103b22b3f1707566f [0,1,1,0,0,0|2,0,0]=4 729 B13R1.26 O=CCN[C@@H](CO)c1ccccc1 70194c93748bb3b561d95f672ef848b0 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.26 O=CCN[C@@H](CO)c1cccnc1 ae8dfa7ebdd924cd8d5efa5e4cab9c89 [0,1,1,0,0,0|1,0,0]=3 731 B13R1.26 O=CCN[C@H](CO)c1ccccc1 4f157a88171a439407b48f56ffd3c849 [0,1,1,0,0,0|2,0,0]=4 732 B13R1.26 O=CCN[C@H](CO)c1cccnc1 3f20e52468aa62ac31f4e07601ad84ab [0,1,1,0,0,0|1,0,0]=3 733 B13R1.26 OCC(NCCF)c1cccnc1 ff78b0ddaa79f57f63380a99a4ebac0a [0,1,1,0,0,0|1,0,1]=4 734 B13R1.26 OCC(NCCS)c1cccnc1 426983781fe5c003977535575fe0a1dd [0,1,1,0,0,0|1,0,1]=4 735 B13R1.26 OCCNC(CO)c1cccnc1 1c5e289f0f33c366c4c17132937c217b [0,1,1,0,0,0|1,0,1]=4 736 B13R1.26 OCCN[C@@H](CO)c1cccnc1 b5819dbbca0a39abd9212bde4dd37924 [0,1,1,0,0,0|1,0,1]=4 737 B13R1.26 OCCN[C@H](CO)c1cccnc1 d58f908b3c0ba74a8db9352f4ddd94c6 [0,1,1,0,0,0|1,0,1]=4 738 B13R1.26 OC[C@@H](NCCF)c1cccnc1 1c80a01ce9c7c7aca40a2b365b857ac8 [0,1,1,0,0,0|1,0,1]=4 739 B13R1.26 OC[C@@H](NCCS)c1cccnc1 d68536069aaf18eadc1b3613365e13e3 [0,1,1,0,0,0|1,0,1]=4 740 B13R1.26 OC[C@H](NCCF)c1cccnc1 44f7e743ad68187c3a5090e5aa36a421 [0,1,1,0,0,0|1,0,1]=4 741 B13R1.26 OC[C@H](NCCS)c1cccnc1 5d34ff4b8b303ec0f555ee539fd06223 [0,1,1,0,0,0|1,0,1]=4 742 B13R1.398 C=CCC(OCC)c1ccccc1 a4657ed7da3cce6d02fc90b54c66bb6b [0,1,1,0,0,0|2,0,0]=4 743 B13R1.398 C=CCC(OCF)c1ccccc1 2c1095f226792f2244d53250b796d47f [0,1,1,0,0,0|2,0,0]=4 744 B13R1.398 C=CCN(CCC)c1cccnc1 635486f806a0334964549b2c332d2f00 [0,1,1,0,0,0|2,0,0]=4 745 B13R1.398 C=CCN(CCF)c1cccnc1 e948b169afeb80e47df50488afe542f2 [0,1,1,0,0,0|2,0,0]=4 746 B13R1.398 C=CCN(CCO)c1cccnc1 84ede461c6f7675663cae19fd8cd82e0 [0,1,1,0,0,0|2,0,0]=4 747 B13R1.398 C=CCN(CCS)c1cccnc1 35b9e5e0468b856b75025da8bb293fde [0,1,1,0,0,0|2,0,0]=4 748 B13R1.398 C=CCN(COC)c1cccnc1 406fb6ae7aa093246e5da81adcd58f13 [0,1,1,0,0,0|2,0,0]=4 749 B13R1.398 C=CCN(CSC)c1cccnc1 09517ad114f394f91c8a65aa6b92306c [0,1,1,0,0,0|2,0,0]=4 750 B13R1.398 C=CC[C@@H](NC=O)c1ccccc1 75cf5b6405a5332158b689cd73018e3f [0,1,1,0,0,0|1,0,1]=4 751 B13R1.398 C=CC[C@@H](NCC)c1ccccc1 86a3187b1494e65f9ba365cde6c7d8db [0,1,1,0,0,0|1,0,0]=3 752 B13R1.398 C=CC[C@@H](NCF)c1ccccc1 ab3f7376e83c8396ab86e7b6153c6004 [0,1,1,0,0,0|1,0,0]=3 753 B13R1.398 C=CC[C@@H](NCO)c1ccccc1 9c2f14983953775c46ea796d5289cb6b [0,1,1,0,0,0|1,0,0]=3 754 B13R1.398 CCCC(NCC)c1cccnc1 047757887d7d47e765d10f7a482f4c22 [0,1,1,0,0,0|0,0,2]=4 755 B13R1.398 CCCC(NCF)c1cccnc1 c62d9e18f6070ff4584feb2dc7bf2dea [0,1,1,0,0,0|0,0,2]=4 756 B13R1.398 CCCC(NCO)c1cccnc1 d96455dd1d8137e0ffe227966aec2acb [0,1,1,0,0,0|0,0,2]=4 757 B13R1.405 C=CCN(C(=O)C)c1cccnc1 e32c75d294e684377a7a83fff7fc611d [0,1,1,0,0,0|2,0,0]=4 758 B13R1.405 C=CCN(c1cccnc1)C(C)C 77bdd9752d7878b3d94a9e28cf083fe2 [0,1,1,0,0,0|2,0,0]=4 759 B13R1.405 CC(C)C(NCF)c1cccnc1 dcf020dbe8f2d33c2c92ebd49407871b [0,1,1,0,0,0|1,0,1]=4 760 B13R1.405 CC(C)C(NCO)c1cccnc1 faa6f2f7a85ae9af3f8a508db511fee9 [0,1,1,0,0,0|1,0,1]=4 761 B13R1.405 CCNC(c1cccnc1)C(C)C 9441c6342ce889dcb2523f4bf955f0d2 [0,1,1,0,0,0|0,0,2]=4 762 B13R1.532 C=CC(C)N(CC)c1cccnc1 af649782e9d721c6af1835c717913185 [0,1,1,0,0,0|2,0,0]=4 763 B13R1.532 CCC(c1cccnc1)N(C)CC 68f80afba53ff7da38afe0ee3e513920 [0,1,1,0,0,0|0,0,2]=4 764 B13R1.532 CCC(c1cccnc1)N(C)CF 184b442d0e7d6aa076e9cddc9d8222fa [0,1,1,0,0,0|1,0,1]=4 765 B13R1.532 CCC(c1cccnc1)N(C)CO c38c17c76708057b82be44376a5c3230 [0,1,1,0,0,0|1,0,1]=4 766 B13R1.713 C=C(Br)CN(CC)c1cccnc1 e4d4dbe49762b030a4ed97c4cf3ad39e [0,1,1,0,0,0|2,0,0]=4 767 B13R1.713 C=C(C)CN(CC)c1cccnc1 612e32c988c9cf12da9fd5a8aaf5bb94 [0,1,1,0,0,0|2,0,0]=4 768 B13R1.713 CC(C)NC(CO)c1cccnc1 042e31eeb5c81368a4a30b2324cbeea7 [0,1,1,0,0,0|1,0,1]=4 769 B13R1.713 CC(C)N[C@@H](CO)c1cccnc1 66a0ccc5cc78aaa27f8c3b1688cfce08 [0,1,1,0,0,0|1,0,1]=4 770 B13R1.713 CC(C)N[C@H](CO)c1cccnc1 3120f95c6795a84e74422ea306d25c3a [0,1,1,0,0,0|1,0,1]=4 771 B13R1.713 CCC(NC(C)C)c1cccnc1 5e050e026668b40c2c5fbc8651e424ad [0,1,1,0,0,0|0,0,2]=4 772 B13R1.6 C/C=C/CNCc1cc(ccn1)Br 9a2fb088688d921a06740d3c2a6133ae [0,1,1,0,0,0|2,0,0]=4 773 B13R1.6 C/C=C/CNCc1cc(ccn1)C 727dee34755ebc3802e29436d3af004e [0,1,1,0,0,0|2,0,0]=4 774 B13R1.6 C/C=C/CNCc1cc(ccn1)Cl 4e9ce6c2197c2780a125472a35b47416 [0,1,1,0,0,0|2,0,0]=4 775 B13R1.6 C/C=C/CNCc1cc[nH]c(=O)c1 bcf9fafb32bbb2aeb3cea996d24ddb48 [0,1,1,0,0,0|2,0,0]=4 776 B13R1.6 C/C=C/CNCc1ccc[n+](c1)[O-] 53435230fb13da1ae719fc8065a93f37 [0,1,1,0,0,0|0,0,1]=3 777 B13R1.6 C/C=C/CNCc1cccc(c1)Br 83da731340f6ce185500395fda13e9a4 [0,1,1,0,0,0|1,0,0]=3 778 B13R1.6 C/C=C/CNCc1cccc(c1)C 364891ad958a531ee570a8c06520ca14 [0,1,1,0,0,0|1,0,0]=3 779 B13R1.6 C/C=C/CNCc1cccc(c1)Cl 944367729b50440353cab5e6bbd2eaf6 [0,1,1,0,0,0|1,0,0]=3 780 B13R1.6 C/C=C/CNCc1cccc(c1)F af99a0b71a702d96402ccad1e9d195cd [0,1,1,0,0,0|1,0,0]=3 781 B13R1.6 C/C=C/CNCc1cccc(c1)I 1d30ef4ca277d241a4f23a44fc749bac [0,1,1,0,0,0|1,0,0]=3 782 B13R1.6 C/C=C/CNCc1cccc(n1)Br fc03b950c37d838a5c00f1e1c284e7b2 [0,1,1,0,0,0|2,0,0]=4 783 B13R1.6 C/C=C/CNCc1cccc(n1)C 7f5d81a1e89c3d8dfb3074512fc4338d [0,1,1,0,0,0|2,0,0]=4 784 B13R1.6 C/C=C/CNCc1cccc(n1)Cl 86eb98252c0e52b845d257df60a4c576 [0,1,1,0,0,0|2,0,0]=4 785 B13R1.6 C/C=C/CNCc1cccc(n1)F 563a2abde2c206776a4d10d2836d4f03 [0,1,1,0,0,0|2,0,0]=4 786 B13R1.6 C/C=C/CNCc1ccnc(c1)Br 364f2a3c123c2398bc9bf92d213f91c8 [0,1,1,0,0,0|2,0,0]=4 787 B13R1.6 C/C=C/CNCc1ccnc(c1)C afb730fe2a96f705e7cba09af0ee78f6 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.6 C/C=C/CNCc1ccnc(c1)Cl 7a949f231dd1532b62cec0521bf15c23 [0,1,1,0,0,0|2,0,0]=4 789 B13R1.6 C/C=C/CNCc1ccnc(c1)F 4ee3f860985afb0bb6c582ac83a87564 [0,1,1,0,0,0|2,0,0]=4 790 B13R1.6 C/C=C/CNCc1cncc(c1)Br 09c965b4948be7a9dd810bb94a75da55 [0,1,1,0,0,0|0,0,0]=2 791 B13R1.6 C/C=C/CNCc1cncc(c1)C c68f91ff276e339d955241a45a5adfbe [0,1,1,0,0,0|0,0,0]=2 792 B13R1.6 C/C=C/CNCc1cncc(c1)Cl df18596f0989ff5f7934fa9bc1444736 [0,1,1,0,0,0|0,0,0]=2 793 B13R1.6 C/C=C/CNCc1cncc(c1)F 61e9b6dc057d946f6d586e44c3e24282 [0,1,1,0,0,0|0,0,0]=2 794 B13R1.6 C/C=C/CNCc1cncc(n1)Cl 5fa4530d16b878842b56c548d685a932 [0,1,1,0,0,0|1,0,0]=3 795 B13R1.6 C/C=C/COCc1cc(cnn1)C c0134829200f828c59588b509a1073fe [0,1,1,0,0,0|2,0,0]=4 796 B13R1.6 C/C=C/COCc1ccc[n+](c1)[O-] 5535c1b7fa94a7b87dcf35f66ba14b27 [0,1,1,0,0,0|1,0,1]=4 797 B13R1.6 C/C=C/COCc1cccc(c1)Br 5f3144f51b2d5b9eb6de305f494f79a0 [0,1,1,0,0,0|2,0,0]=4 798 B13R1.6 C/C=C/COCc1cccc(c1)C 2a8b85e5ee2db532909c59c4e2314e83 [0,1,1,0,0,0|2,0,0]=4 799 B13R1.6 C/C=C/COCc1cccc(c1)Cl a52dee5b15f9a22dca0f947da052d9d5 [0,1,1,0,0,0|2,0,0]=4 800 B13R1.6 C/C=C/COCc1cccc(c1)F d6937bc266d0625c6e1d329751d17b5b [0,1,1,0,0,0|2,0,0]=4 801 B13R1.6 C/C=C/COCc1cccc(c1)I ecfeead1b2dd4a2b540429bfb654d5ba [0,1,1,0,0,0|2,0,0]=4 802 B13R1.6 C/C=C/COCc1cncc(c1)Br eb6d4468cd180344d9f3fb9f54499aba [0,1,1,0,0,0|1,0,0]=3 803 B13R1.6 C/C=C/COCc1cncc(c1)C f7ec6b63912f3d13ec5ea465afce4fab [0,1,1,0,0,0|1,0,0]=3 804 B13R1.6 C/C=C/COCc1cncc(c1)Cl e2eb4195e0f5ae568e678ded5187adbb [0,1,1,0,0,0|1,0,0]=3 805 B13R1.6 C/C=C/COCc1cncc(c1)F 404b7e0922dde783fe9c879b410799ee [0,1,1,0,0,0|1,0,0]=3 806 B13R1.6 C/C=C/COCc1cncc(c1)I 256298c5af5ec7677298444a322da2f2 [0,1,1,0,0,0|1,0,0]=3 807 B13R1.6 C/C=C/COCc1cncc(n1)Br 5db6e2c61226ca1a8dcaf6015b883527 [0,1,1,0,0,0|2,0,0]=4 808 B13R1.6 C/C=C/COCc1cncc(n1)Cl a570c6833f976af23242f7a1e9512170 [0,1,1,0,0,0|2,0,0]=4 809 B13R1.6 C/C=C\CNCc1cc(ccn1)Br 4b0d73fd42c09ac0dbc49940d6612be9 [0,1,1,0,0,0|2,0,0]=4 810 B13R1.6 C/C=C\CNCc1cc(ccn1)C a41d71bdc6f740c338b382f7e7b6cd93 [0,1,1,0,0,0|2,0,0]=4 811 B13R1.6 C/C=C\CNCc1cc(ccn1)Cl 079682a915af96c3d5f137539f0478dd [0,1,1,0,0,0|2,0,0]=4 812 B13R1.6 C/C=C\CNCc1cc[nH]c(=O)c1 86d87b436cba7c524f167537cb235f95 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.6 C/C=C\CNCc1ccc[n+](c1)[O-] fe918c4cfe89e53a1f38fa4a0d1725d5 [0,1,1,0,0,0|0,0,1]=3 814 B13R1.6 C/C=C\CNCc1cccc(c1)Br ca9cdee28948c34eab3de508844b0e2c [0,1,1,0,0,0|1,0,0]=3 815 B13R1.6 C/C=C\CNCc1cccc(c1)C af80bff89b00aa3284dbb87ea3d0c4c9 [0,1,1,0,0,0|1,0,0]=3 816 B13R1.6 C/C=C\CNCc1cccc(c1)Cl f08c35c26384c811f0cbfbd04933a97a [0,1,1,0,0,0|1,0,0]=3 817 B13R1.6 C/C=C\CNCc1cccc(c1)F 7d547dd18cd42950726026f6ba3ab8c0 [0,1,1,0,0,0|1,0,0]=3 818 B13R1.6 C/C=C\CNCc1cccc(c1)I d41e4f9dd3d8fdf50098fb67f08713c3 [0,1,1,0,0,0|1,0,0]=3 819 B13R1.6 C/C=C\CNCc1cccc(n1)Br 1f5288de6c92ab979603dd5003ed3d70 [0,1,1,0,0,0|2,0,0]=4 820 B13R1.6 C/C=C\CNCc1cccc(n1)C e9e76456334c3f4691fc4539e3af0f89 [0,1,1,0,0,0|2,0,0]=4 821 B13R1.6 C/C=C\CNCc1cccc(n1)Cl 2593b156b5abb1b41034784275b37188 [0,1,1,0,0,0|2,0,0]=4 822 B13R1.6 C/C=C\CNCc1cccc(n1)F 7e36e5f7f5abb550da589ef1d5a3b7f7 [0,1,1,0,0,0|2,0,0]=4 823 B13R1.6 C/C=C\CNCc1ccnc(c1)Br 1aa82a17c6b2ee0dd13e28c58ca1e8f3 [0,1,1,0,0,0|2,0,0]=4 824 B13R1.6 C/C=C\CNCc1ccnc(c1)C 40e415ae034cec61694951a98355ce2f [0,1,1,0,0,0|2,0,0]=4 825 B13R1.6 C/C=C\CNCc1ccnc(c1)Cl d0dae9970490adc32bc15ee51e4efe6c [0,1,1,0,0,0|2,0,0]=4 826 B13R1.6 C/C=C\CNCc1ccnc(c1)F 360b560670daf6098dda2753753e93a0 [0,1,1,0,0,0|2,0,0]=4 827 B13R1.6 C/C=C\CNCc1cncc(c1)Br d033b759d0c5aa23fa0b5bf558f5dae2 [0,1,1,0,0,0|0,0,0]=2 828 B13R1.6 C/C=C\CNCc1cncc(c1)C 7a33cdfdd455046e14d64690dfc4c4e5 [0,1,1,0,0,0|0,0,0]=2 829 B13R1.6 C/C=C\CNCc1cncc(c1)Cl d88d3d6ff95b8abc25dce91376cbae8e [0,1,1,0,0,0|0,0,0]=2 830 B13R1.6 C/C=C\CNCc1cncc(c1)F 080be7f7cd23e95446d8a284d712dbd6 [0,1,1,0,0,0|0,0,0]=2 831 B13R1.6 C/C=C\CNCc1cncc(n1)Cl 6d7bd5c519bf2e1f92168753f70a73f1 [0,1,1,0,0,0|1,0,0]=3 832 B13R1.6 C/C=C\COCc1cc(cnn1)C 97cff1971eb16ba3cd2dd765d0c93c47 [0,1,1,0,0,0|2,0,0]=4 833 B13R1.6 C/C=C\COCc1ccc[n+](c1)[O-] 9d413df592d19b7f1f9785224e0a0ecc [0,1,1,0,0,0|1,0,1]=4 834 B13R1.6 C/C=C\COCc1cccc(c1)Br 2948e0fc5498440960caaf765ef9fc6e [0,1,1,0,0,0|2,0,0]=4 835 B13R1.6 C/C=C\COCc1cccc(c1)C 9a485ee70ed0fbc83d11fb4c09cc987b [0,1,1,0,0,0|2,0,0]=4 836 B13R1.6 C/C=C\COCc1cccc(c1)Cl 1c3160cf839476822d8dbf696bd48518 [0,1,1,0,0,0|2,0,0]=4 837 B13R1.6 C/C=C\COCc1cccc(c1)F e5fd4f14ff92aaf9163d8e32adbe1b72 [0,1,1,0,0,0|2,0,0]=4 838 B13R1.6 C/C=C\COCc1cccc(c1)I 184a838a9cd2a01980ae3557d2497900 [0,1,1,0,0,0|2,0,0]=4 839 B13R1.6 C/C=C\COCc1cncc(c1)Br eee8f558613c367414a1d8b0d1a9d08e [0,1,1,0,0,0|1,0,0]=3 840 B13R1.6 C/C=C\COCc1cncc(c1)C 69cf24afce559b5e6461b1a5f286f23b [0,1,1,0,0,0|1,0,0]=3 841 B13R1.6 C/C=C\COCc1cncc(c1)Cl 799def723ec0b142522b75e620b29dd4 [0,1,1,0,0,0|1,0,0]=3 842 B13R1.6 C/C=C\COCc1cncc(c1)F e57190b66bc43575ae8381292aa99324 [0,1,1,0,0,0|1,0,0]=3 843 B13R1.6 C/C=C\COCc1cncc(c1)I 0d54c0febcab0e5ad104a7d5da8d532c [0,1,1,0,0,0|1,0,0]=3 844 B13R1.6 C/C=C\COCc1cncc(n1)Br 4652894dcdb4210a72acecb3fdc7ffb2 [0,1,1,0,0,0|2,0,0]=4 845 B13R1.6 C/C=C\COCc1cncc(n1)Cl 2994489368459ebcd4c6673c0eba3424 [0,1,1,0,0,0|2,0,0]=4 846 B13R1.6 C=CCCNCc1cncc(c1)Br 5d2fa67b87f2a3333b47321fa7f75ff8 [0,1,1,0,0,0|0,0,2]=4 847 B13R1.6 C=CCCNCc1cncc(c1)C a6e04ee4ad421e19b46d885795799add [0,1,1,0,0,0|0,0,2]=4 848 B13R1.6 C=CCCNCc1cncc(c1)Cl 33fedea178e5e1f5db62bb9a48ae31d1 [0,1,1,0,0,0|0,0,2]=4 849 B13R1.6 C=CCCNCc1cncc(c1)F 911e84250770122c3793a426d62521d5 [0,1,1,0,0,0|0,0,2]=4 850 B13R1.6 CC#CCNCc1cncc(c1)Br 83c82d8e41f3e7524206672b42427814 [0,1,1,0,0,0|0,0,2]=4 851 B13R1.6 CC#CCNCc1cncc(c1)F 0290f98c785c117d23d1858a25a649b1 [0,1,1,0,0,0|0,0,2]=4 852 B13R1.6 CC/C=C/CNc1cncc(c1)Br ff7f21c1d2a783f9326f96bd026e918a [0,1,1,0,0,0|2,0,0]=4 853 B13R1.6 CC/C=C/CNc1cncc(c1)C 6dfa557487413984065cfc6392b104f5 [0,1,1,0,0,0|2,0,0]=4 854 B13R1.6 CC/C=C/CNc1cncc(c1)Cl 9e59c348837fdbfea0801a402ac15fb6 [0,1,1,0,0,0|2,0,0]=4 855 B13R1.6 CC/C=C/CNc1cncc(c1)F 5a0f180800b9b39ca57480d2a3cc0bef [0,1,1,0,0,0|2,0,0]=4 856 B13R1.6 CC/C=C/CNc1cncc(c1)I 0dd5b7b8d2563a6185a76dddeb738e6d [0,1,1,0,0,0|2,0,0]=4 857 B13R1.6 CC/C=C/COc1cncc(c1)Br 6450b30683b480f543980fe60bec19c0 [0,1,1,0,0,0|2,0,0]=4 858 B13R1.6 CC/C=C/COc1cncc(c1)C 61b37911fbacb81710b424826db37452 [0,1,1,0,0,0|2,0,0]=4 859 B13R1.6 CC/C=C/COc1cncc(c1)Cl abffd04a0a883d78f0c7c6578dbe50f9 [0,1,1,0,0,0|2,0,0]=4 860 B13R1.6 CC/C=C/COc1cncc(c1)F 7909ea51fad32862550eb58334c3e4f5 [0,1,1,0,0,0|2,0,0]=4 861 B13R1.6 CC/C=C/COc1cncc(c1)I bb4d53a16c49ca9802bb20ae5908aae5 [0,1,1,0,0,0|2,0,0]=4 862 B13R1.6 CC=CCNCc1cc(ccn1)Br fc4459967aecf2d314c05b5d2bf92bb2 [0,1,1,0,0,0|2,0,0]=4 863 B13R1.6 CC=CCNCc1cc(ccn1)C b99dd73ca11b752413737a9ccae5ebd6 [0,1,1,0,0,0|2,0,0]=4 864 B13R1.6 CC=CCNCc1cc(ccn1)Cl dabcd177c8738e99fdb53771e18ad89e [0,1,1,0,0,0|2,0,0]=4 865 B13R1.6 CC=CCNCc1cc(cnn1)C 6cc6c66b825dce77f9392c7d122ae383 [0,1,1,0,0,0|1,0,0]=3 866 B13R1.6 CC=CCNCc1cc[nH]c(=O)c1 0eea7c9953e24ac641107d0bc8364188 [0,1,1,0,0,0|2,0,0]=4 867 B13R1.6 CC=CCNCc1cccc(c1)Br cb20e92d751b99edc3a99b92dbac42f7 [0,1,1,0,0,0|1,0,0]=3 868 B13R1.6 CC=CCNCc1cccc(c1)C 809bdd5569b9ccfdcb35ab342dc7435a [0,1,1,0,0,0|1,0,0]=3 869 B13R1.6 CC=CCNCc1cccc(c1)Cl 09b13623de7e54df583f18ec41f58906 [0,1,1,0,0,0|1,0,0]=3 870 B13R1.6 CC=CCNCc1cccc(c1)F f21ada400772a9ad589d83b197d18997 [0,1,1,0,0,0|1,0,0]=3 871 B13R1.6 CC=CCNCc1cccc(c1)I 5a116c6cedab582e9bbe4dd8fed88300 [0,1,1,0,0,0|1,0,0]=3 872 B13R1.6 CC=CCNCc1cccc(n1)Br 9cd1fd9c212910a1818fac667a91ee99 [0,1,1,0,0,0|2,0,0]=4 873 B13R1.6 CC=CCNCc1cccc(n1)C a1e73471c66eccb57cf82ad950d0fa84 [0,1,1,0,0,0|2,0,0]=4 874 B13R1.6 CC=CCNCc1cccc(n1)Cl b204c7b8d43b31488f9cf83a50ee4ce9 [0,1,1,0,0,0|2,0,0]=4 875 B13R1.6 CC=CCNCc1cccc(n1)F 926515b2953de24be24ed1950f1102af [0,1,1,0,0,0|2,0,0]=4 876 B13R1.6 CC=CCNCc1ccnc(c1)Br 5a06b58cfdb2e1afaae0311ab493883d [0,1,1,0,0,0|2,0,0]=4 877 B13R1.6 CC=CCNCc1ccnc(c1)C 42b8c2fbd755f97a863e6bac27e44bdc [0,1,1,0,0,0|2,0,0]=4 878 B13R1.6 CC=CCNCc1ccnc(c1)Cl 43e541111077adb2e79bf43ea3ccc1b2 [0,1,1,0,0,0|2,0,0]=4 879 B13R1.6 CC=CCNCc1ccnc(c1)F eeca7e4d4e901c6596ddf4693fef663f [0,1,1,0,0,0|2,0,0]=4 880 B13R1.6 CC=CCNCc1cncc(c1)Br fbd7a7a34ecf43fdb5c5461c27aaec47 [0,1,1,0,0,0|0,0,0]=2 881 B13R1.6 CC=CCNCc1cncc(c1)Cl 8f5e397096ca9ee5aab41990de010ccf [0,1,1,0,0,0|0,0,0]=2 882 B13R1.6 CC=CCNCc1cncc(c1)F d9dddc6b220bbce0b66ff42e4bdd695d [0,1,1,0,0,0|0,0,0]=2 883 B13R1.6 CC=CCOCc1cc(cnn1)C f0fa72722a5b8fee8e584643d3001625 [0,1,1,0,0,0|2,0,0]=4 884 B13R1.6 CC=CCOCc1cccc(c1)Br ca2b60e1341b654f2ff1ef98ebab9c82 [0,1,1,0,0,0|2,0,0]=4 885 B13R1.6 CC=CCOCc1cccc(c1)C a8adfea630eb2d1bbb87cda7bf4b5700 [0,1,1,0,0,0|2,0,0]=4 886 B13R1.6 CC=CCOCc1cccc(c1)Cl f37ec5a3900dc3939a0c084498a43468 [0,1,1,0,0,0|2,0,0]=4 887 B13R1.6 CC=CCOCc1cccc(c1)F 661b2c0d44369071283ae8c6e1db857f [0,1,1,0,0,0|2,0,0]=4 888 B13R1.6 CC=CCOCc1cccc(c1)I aa3384c9c424bfce7b50556730a4428e [0,1,1,0,0,0|2,0,0]=4 889 B13R1.6 CC=CCOCc1cncc(c1)Br 96339f2a790468209289061e82fdd150 [0,1,1,0,0,0|1,0,0]=3 890 B13R1.6 CC=CCOCc1cncc(c1)Cl 948b2ff57f818ccc481efe0a3b736ad8 [0,1,1,0,0,0|1,0,0]=3 891 B13R1.6 CC=CCOCc1cncc(c1)F 15969102921b49eb3018b469254c66ab [0,1,1,0,0,0|1,0,0]=3 892 B13R1.6 CCCCNCc1cncc(c1)Br bfb08ce51f4b4fc6a1f95f352be382bb [0,1,1,0,0,0|0,0,2]=4 893 B13R1.6 CCCCNCc1cncc(c1)C 714318af787d36cc3eb8ae950ac97560 [0,1,1,0,0,0|0,0,2]=4 894 B13R1.6 CCCCNCc1cncc(c1)Cl b485781044a0886f0840da16d8bb3796 [0,1,1,0,0,0|0,0,2]=4 895 B13R1.6 CCCCNCc1cncc(c1)F 35ccfdefef1798ca4d1308d932e296ad [0,1,1,0,0,0|0,0,2]=4 896 B13R1.6 CCOCNCc1cncc(c1)C e2c88e49c9ff560056061b88672475cf [0,1,1,0,0,0|1,0,1]=4 897 B13R1.6 CCOCNCc1cncc(c1)Cl 15fa800951e422fbbeb5489f304903d1 [0,1,1,0,0,0|1,0,1]=4 898 B13R1.6 CCOCNCc1cncc(c1)F 152d7ede5f642cbb3f368e646f9731d5 [0,1,1,0,0,0|1,0,1]=4 899 B13R1.6 COCCNCc1cncc(c1)Br 90962d13385739b6093cb4e7d8d39403 [0,1,1,0,0,0|1,0,1]=4 900 B13R1.6 COCCNCc1cncc(c1)C 6bcbc7fef76b320a1fab859ad8408465 [0,1,1,0,0,0|1,0,1]=4 901 B13R1.6 COCCNCc1cncc(c1)Cl 2cd93c31c076cab3c8d6e5215e994677 [0,1,1,0,0,0|1,0,1]=4 902 B13R1.6 COCCNCc1cncc(c1)F 83f822a3e655c69d4bfb0c89b74a4206 [0,1,1,0,0,0|1,0,1]=4 903 B13R1.6 CSCCNCc1cncc(c1)Br 295dad993ef11ccfcb3835c21bc106d2 [0,1,1,0,0,0|1,0,1]=4 904 B13R1.6 CSCCNCc1cncc(c1)C a1be3b13f1feb403a97597624276be76 [0,1,1,0,0,0|1,0,1]=4 905 B13R1.6 CSCCNCc1cncc(c1)Cl 6664c0e3f0f6c46c441ca0a94b98efe7 [0,1,1,0,0,0|1,0,1]=4 906 B13R1.6 CSCCNCc1cncc(c1)F 1823116b9c3ab38d921d72fb19168d2b [0,1,1,0,0,0|1,0,1]=4 907 B13R1.6 Cc1cccc(c1)CNC/C=C/Cl f709af957de9904d34927c81736273a1 [0,1,1,0,0,0|2,0,0]=4 908 B13R1.6 Cc1cccc(c1)CNC/C=C\Cl 0cf4e7d5f2851205d34406e46fdce718 [0,1,1,0,0,0|2,0,0]=4 909 B13R1.6 Cc1cccc(c1)CNC/C=C\O ef0fd9a5a2339a636d2853505bceec4e [0,1,1,0,0,0|2,0,0]=4 910 B13R1.6 Cc1cncc(c1)CNC/C=C/Cl ed7e9ecfc570a772c7f844ffb91cfab3 [0,1,1,0,0,0|1,0,0]=3 911 B13R1.6 Cc1cncc(c1)CNC/C=C\Cl e6f67341235293de76f7f38e38999251 [0,1,1,0,0,0|1,0,0]=3 912 B13R1.6 Cc1cncc(c1)CNC/C=C\O 6ec7e333641620c844f551c1516f031f [0,1,1,0,0,0|1,0,0]=3 913 B13R1.6 Cc1cncc(c1)CNCCC=O 0c36fd1a3d3f82eff1d7e44947411f5c [0,1,1,0,0,0|1,0,1]=4 914 B13R1.6 Cc1cncc(c1)COC/C=C/Cl 959c6befc001d985d0f5295edf840c6b [0,1,1,0,0,0|2,0,0]=4 915 B13R1.6 Cc1cncc(c1)COC/C=C\Cl 652c9c219a7de184882b7b2e5780cf9d [0,1,1,0,0,0|2,0,0]=4 916 B13R1.6 Cl/C=C/CNCc1cccc(c1)Br 62b722e08ebae7ed74190c9b72c00bb3 [0,1,1,0,0,0|2,0,0]=4 917 B13R1.6 Cl/C=C/CNCc1cccc(c1)Cl d05090552f83d56ff8b96c05c1b0499b [0,1,1,0,0,0|2,0,0]=4 918 B13R1.6 Cl/C=C/CNCc1cccc(c1)I d2c44685bf2c48f2749d7ded67da5c55 [0,1,1,0,0,0|2,0,0]=4 919 B13R1.6 Cl/C=C/CNCc1cncc(c1)Br 9fe2b0b08c544a3c702d00148973f717 [0,1,1,0,0,0|1,0,0]=3 920 B13R1.6 Cl/C=C/CNCc1cncc(c1)Cl bbbe7bad400938b093dabd171aa91b20 [0,1,1,0,0,0|1,0,0]=3 921 B13R1.6 Cl/C=C/CNCc1cncc(n1)Cl 5107f6cd99d7d6e08b676ed4cda193b3 [0,1,1,0,0,0|2,0,0]=4 922 B13R1.6 Cl/C=C/COCc1cncc(c1)Br 950303016d5dafd71563da68f24a2a90 [0,1,1,0,0,0|2,0,0]=4 923 B13R1.6 Cl/C=C/COCc1cncc(c1)Cl 0fc5b891cd8c6c929cd2ced086017c43 [0,1,1,0,0,0|2,0,0]=4 924 B13R1.6 Cl/C=C/COCc1cncc(c1)I baf430c682cd187fd97a2f6470f41d56 [0,1,1,0,0,0|2,0,0]=4 925 B13R1.6 Cl/C=C\CNCc1cccc(c1)Br e2106e93d48ce784807b6d47e82576d8 [0,1,1,0,0,0|2,0,0]=4 926 B13R1.6 Cl/C=C\CNCc1cccc(c1)Cl 6c9a1dd97be69928098ae821d5d6fb70 [0,1,1,0,0,0|2,0,0]=4 927 B13R1.6 Cl/C=C\CNCc1cccc(c1)I c8251f124e132fd47ec35503f820d98e [0,1,1,0,0,0|2,0,0]=4 928 B13R1.6 Cl/C=C\CNCc1cncc(c1)Br ffaa7f657a6db21e73cfbfcac8b22c4e [0,1,1,0,0,0|1,0,0]=3 929 B13R1.6 Cl/C=C\CNCc1cncc(c1)Cl 19c5b904fa3f9231f92d43d01a6efcbc [0,1,1,0,0,0|1,0,0]=3 930 B13R1.6 Cl/C=C\CNCc1cncc(n1)Cl 65ceedcc2e20f81e78251d9f1025b32a [0,1,1,0,0,0|2,0,0]=4 931 B13R1.6 Cl/C=C\COCc1cncc(c1)Br d83f89a246926eddaed6ac01bfe6c8e5 [0,1,1,0,0,0|2,0,0]=4 932 B13R1.6 Cl/C=C\COCc1cncc(c1)Cl af5515fde5e2c145d7e218088e79bef2 [0,1,1,0,0,0|2,0,0]=4 933 B13R1.6 Cl/C=C\COCc1cncc(c1)I a843c567dde2d8741006c018925d0dfb [0,1,1,0,0,0|2,0,0]=4 934 B13R1.6 ClC=CCOCc1cncc(c1)Br eca18eb65b6476e074f9676e71ee9d6a [0,1,1,0,0,0|2,0,0]=4 935 B13R1.6 ClC=CCOCc1cncc(c1)Cl 8e66115c345feb76c0c2d88dcc4509a5 [0,1,1,0,0,0|2,0,0]=4 936 B13R1.6 Fc1cccc(c1)CNC/C=C/Cl 2e8d5093d7ac83a22888435c00ba94cc [0,1,1,0,0,0|2,0,0]=4 937 B13R1.6 Fc1cccc(c1)CNC/C=C\Cl 9156673bd0f27db7050c1eba6b58ee65 [0,1,1,0,0,0|2,0,0]=4 938 B13R1.6 Fc1cncc(c1)CNC/C=C/Cl f9319944f9b89f5d6163412c7a58969b [0,1,1,0,0,0|1,0,0]=3 939 B13R1.6 Fc1cncc(c1)CNC/C=C\Cl eb67cf47c4ec0ea8b08c7fae7d91e3cf [0,1,1,0,0,0|1,0,0]=3 940 B13R1.6 Fc1cncc(c1)COC/C=C/Cl c4eceb34e677070cdd6b78d115c6c32c [0,1,1,0,0,0|2,0,0]=4 941 B13R1.6 Fc1cncc(c1)COC/C=C\Cl 148831040642b446803bf0381e83e4ba [0,1,1,0,0,0|2,0,0]=4 942 B13R1.6 Fc1cncc(c1)COCC=CCl 3b079a95928111bcc94a2cfeabbf15d1 [0,1,1,0,0,0|2,0,0]=4 943 B13R1.6 O/C=C\CNCc1cccc(c1)Br cc90b770d3120c4e91800f0a4106c65c [0,1,1,0,0,0|2,0,0]=4 944 B13R1.6 O/C=C\CNCc1cccc(c1)Cl 36bd521cd28878649f8fdf6178fca9f6 [0,1,1,0,0,0|2,0,0]=4 945 B13R1.6 O/C=C\CNCc1cccc(c1)F 3ec05cfd3468545e0dfc794a9049f070 [0,1,1,0,0,0|2,0,0]=4 946 B13R1.6 O/C=C\CNCc1cccc(c1)I 58653c3c240f0e6fd5aae4b786ef168e [0,1,1,0,0,0|2,0,0]=4 947 B13R1.6 O/C=C\CNCc1cncc(c1)Br c9ab792e3b3d15a547c8d65db76cab6e [0,1,1,0,0,0|1,0,0]=3 948 B13R1.6 O/C=C\CNCc1cncc(c1)Cl da99174440f95e9ddf96d308f89e891c [0,1,1,0,0,0|1,0,0]=3 949 B13R1.6 O/C=C\CNCc1cncc(c1)F fb7d1a285a6ed15961bafc68e245b665 [0,1,1,0,0,0|1,0,0]=3 950 B13R1.6 O/C=C\CNCc1cncc(n1)Cl aa02866f605f82fb8812fcd827519552 [0,1,1,0,0,0|2,0,0]=4 951 B13R1.6 O=CCCNCc1cncc(c1)Br e06b30b2693e00fb536b499d7c55b2b0 [0,1,1,0,0,0|1,0,1]=4 952 B13R1.6 O=CCCNCc1cncc(c1)Cl dfc68e8e6b3eb5118512bcbb0f079c84 [0,1,1,0,0,0|1,0,1]=4 953 B13R1.6 O=CCCNCc1cncc(c1)F 8c511b26a5241481b9020e37ea686104 [0,1,1,0,0,0|1,0,1]=4 954 B13R1.6 [O-][n+]1cccc(c1)CNC/C=C/Cl e30f06228ee0d605901f7358ea62dcda [0,1,1,0,0,0|1,0,1]=4 955 B13R1.6 [O-][n+]1cccc(c1)CNC/C=C\Cl b86016e6d797bd0869653ac249abbe47 [0,1,1,0,0,0|1,0,1]=4 956 B13R1.6 [O-][n+]1cccc(c1)CNC/C=C\O bebb2e4c794be2c544d487b77e928aa6 [0,1,1,0,0,0|1,0,1]=4 957 B13R1.9 C/C=C/CNCc1ccc(=O)[nH]c1 bb89c7b142b36592c3ec34d59160e0c2 [0,1,1,0,0,0|0,0,1]=3 958 B13R1.9 C/C=C/CNCc1ccc(cc1)Br a3aff8a3de2148549b2bf1eda522350a [0,1,1,0,0,0|1,0,0]=3 959 B13R1.9 C/C=C/CNCc1ccc(cc1)C 0e26b07bed338e630673b29b1f16da19 [0,1,1,0,0,0|1,0,0]=3 960 B13R1.9 C/C=C/CNCc1ccc(cc1)Cl 17191d31f585569e6dd3f62039fe2c3c [0,1,1,0,0,0|1,0,0]=3 961 B13R1.9 C/C=C/CNCc1ccc(cc1)F 9f13fb4d1708be8cdb2a9b360a9ea71a [0,1,1,0,0,0|1,0,0]=3 962 B13R1.9 C/C=C/CNCc1ccc(cc1)I 9b885d380292a81188c9b862d189174e [0,1,1,0,0,0|1,0,0]=3 963 B13R1.9 C/C=C/CNCc1ccc(cn1)Br 4ca1fe7237afafca5c9db7a04940637e [0,1,1,0,0,0|2,0,0]=4 964 B13R1.9 C/C=C/CNCc1ccc(cn1)C 4cbc1df2c176526ce5483d29c661667b [0,1,1,0,0,0|2,0,0]=4 965 B13R1.9 C/C=C/CNCc1ccc(cn1)Cl 1c78cb66f63c5af9842a2c5a7fc8f2f4 [0,1,1,0,0,0|2,0,0]=4 966 B13R1.9 C/C=C/CNCc1ccc(cn1)F 1054f5dbf7449c90eb761fc0959a7368 [0,1,1,0,0,0|2,0,0]=4 967 B13R1.9 C/C=C/CNCc1ccc(nc1)Br 8532001a653a5291d5a8ae08aad41384 [0,1,1,0,0,0|0,0,0]=2 968 B13R1.9 C/C=C/CNCc1ccc(nc1)C d4dd5a1d9c8e1afde75b796c931f77d9 [0,1,1,0,0,0|0,0,0]=2 969 B13R1.9 C/C=C/CNCc1ccc(nc1)Cl 61bc39c65ff0deb2542872a63a7c074f [0,1,1,0,0,0|0,0,0]=2 970 B13R1.9 C/C=C/CNCc1ccc(nc1)F 48e68318e5d3c2e7bb2eb2c0c698f052 [0,1,1,0,0,0|0,0,0]=2 971 B13R1.9 C/C=C/CNCc1ccc(nn1)C bbb5595063a7e06428c677575fb2b291 [0,1,1,0,0,0|1,0,0]=3 972 B13R1.9 C/C=C/CNCc1ccc(nn1)Cl ec6fb05bce08e59fefbeb223c4ea4ec8 [0,1,1,0,0,0|1,0,0]=3 973 B13R1.9 C/C=C/CNCc1cnc(cn1)Br e219d572fab22fced698180f353b47a9 [0,1,1,0,0,0|1,0,0]=3 974 B13R1.9 C/C=C/CNCc1cnc(cn1)C bc37700ee2902b82e7fbe3d7d83b620d [0,1,1,0,0,0|1,0,0]=3 975 B13R1.9 C/C=C/CNCc1cnc(cn1)Cl 325c28f4d19493ebacd0202ed2ab232d [0,1,1,0,0,0|1,0,0]=3 976 B13R1.9 C/C=C/CNCc1cnc(nc1)C 3a88fe8dd6582ed61912de047a79d0a9 [0,1,1,0,0,0|1,0,0]=3 977 B13R1.9 C/C=C/CNCc1cnc(nc1)Cl 2703dc952067037cb48ab43a59d890f4 [0,1,1,0,0,0|1,0,0]=3 978 B13R1.9 C/C=C/COCc1ccc(cc1)Br 5f95624bc8c00116a78e7adc2edd48e9 [0,1,1,0,0,0|2,0,0]=4 979 B13R1.9 C/C=C/COCc1ccc(cc1)C c6640d093f05fc62ae79f76445c652d8 [0,1,1,0,0,0|2,0,0]=4 980 B13R1.9 C/C=C/COCc1ccc(cc1)Cl ab64e6fc491fd749f473fdfb1ea52d4a [0,1,1,0,0,0|2,0,0]=4 981 B13R1.9 C/C=C/COCc1ccc(cc1)F 39f6d7e52110044ee54e7d1815e39af7 [0,1,1,0,0,0|2,0,0]=4 982 B13R1.9 C/C=C/COCc1ccc(cc1)I 80e3438971bfdd4a280c11d469ba878f [0,1,1,0,0,0|2,0,0]=4 983 B13R1.9 C/C=C/COCc1ccc(cc1)S a4a3c171e79a3860303cd3b9b07053d1 [0,1,1,0,0,0|2,0,0]=4 984 B13R1.9 C/C=C/COCc1ccc(nc1)Br dfae5eeee6ec2df35b2458f4910d7265 [0,1,1,0,0,0|1,0,0]=3 985 B13R1.9 C/C=C/COCc1ccc(nc1)C 62157cf8692cfdda4a9b2d888c9fcb17 [0,1,1,0,0,0|1,0,0]=3 986 B13R1.9 C/C=C/COCc1ccc(nc1)Cl 640417788645989d6c8b98e9447b06f5 [0,1,1,0,0,0|1,0,0]=3 987 B13R1.9 C/C=C/COCc1ccc(nc1)F 3905165d1c38221a0b2f829a7abf3532 [0,1,1,0,0,0|1,0,0]=3 988 B13R1.9 C/C=C/COCc1ccc(nn1)C fcfa78b5f73630f3452cad047354f453 [0,1,1,0,0,0|2,0,0]=4 989 B13R1.9 C/C=C/COCc1ccc(nn1)Cl e47f8b7c3e95601317c105a0a5c37d85 [0,1,1,0,0,0|2,0,0]=4 990 B13R1.9 C/C=C/COCc1cnc(cn1)Br ca260981aecef2a04a980fab3f9dba91 [0,1,1,0,0,0|2,0,0]=4 991 B13R1.9 C/C=C/COCc1cnc(cn1)C 2e80c90feb309bd99c363b7c27b45b9e [0,1,1,0,0,0|2,0,0]=4 992 B13R1.9 C/C=C/COCc1cnc(cn1)Cl ceaf6217327232494ee783988a028bde [0,1,1,0,0,0|2,0,0]=4 993 B13R1.9 C/C=C/COCc1cnc(nc1)Br 04dcf3d944171031680f5912b72182aa [0,1,1,0,0,0|2,0,0]=4 994 B13R1.9 C/C=C/COCc1cnc(nc1)C eff7d8b5968c952ae4c131a3feac5dae [0,1,1,0,0,0|2,0,0]=4 995 B13R1.9 C/C=C/COCc1cnc(nc1)Cl 1b2c7069baf5feac0021d5d1392a02db [0,1,1,0,0,0|2,0,0]=4 996 B13R1.9 C/C=C\CNCc1ccc(=O)[nH]c1 79675cb69b743765ec0b173ed4e5ab17 [0,1,1,0,0,0|0,0,1]=3 997 B13R1.9 C/C=C\CNCc1ccc(cc1)Br de8ecd7ac4a9373138943e4a418b79fa [0,1,1,0,0,0|1,0,0]=3 998 B13R1.9 C/C=C\CNCc1ccc(cc1)C 08e6db55dbae6279653aaf4d24c492d2 [0,1,1,0,0,0|1,0,0]=3 999 B13R1.9 C/C=C\CNCc1ccc(cc1)Cl 79be3b529843786840fd8faf66621f19 [0,1,1,0,0,0|1,0,0]=3 1000 B13R1.9 C/C=C\CNCc1ccc(cc1)F 54f4afd366d9309abdbf6b28ab8c305d [0,1,1,0,0,0|1,0,0]=3 1001 B13R1.9 C/C=C\CNCc1ccc(cc1)I af0723b63cfaf8af86c390f1ba9a2452 [0,1,1,0,0,0|1,0,0]=3 1002 B13R1.9 C/C=C\CNCc1ccc(cn1)Br 4ec66575d96b528f3ff10e22e35a21db [0,1,1,0,0,0|2,0,0]=4 1003 B13R1.9 C/C=C\CNCc1ccc(cn1)C 05153eac704679524b4312f488029a1d [0,1,1,0,0,0|2,0,0]=4 1004 B13R1.9 C/C=C\CNCc1ccc(cn1)Cl 22abec2e8597d9444cf0de74f0d04033 [0,1,1,0,0,0|2,0,0]=4 1005 B13R1.9 C/C=C\CNCc1ccc(cn1)F 1b1543e6bf7bf22a8c76bafcfcbc3955 [0,1,1,0,0,0|2,0,0]=4 1006 B13R1.9 C/C=C\CNCc1ccc(nc1)Br 59545ea848d90515f43de2b30e23f503 [0,1,1,0,0,0|0,0,0]=2 1007 B13R1.9 C/C=C\CNCc1ccc(nc1)C ee862dabcfcdf5480da86c570b4b4eb8 [0,1,1,0,0,0|0,0,0]=2 1008 B13R1.9 C/C=C\CNCc1ccc(nc1)Cl 46cfd971284eadcc327b268fee129bc5 [0,1,1,0,0,0|0,0,0]=2 1009 B13R1.9 C/C=C\CNCc1ccc(nc1)F 032f81eb32e07a43667f3cc82acee3d6 [0,1,1,0,0,0|0,0,0]=2 1010 B13R1.9 C/C=C\CNCc1ccc(nn1)C 550f2ebc369b5612c511d6086b30c878 [0,1,1,0,0,0|1,0,0]=3 1011 B13R1.9 C/C=C\CNCc1ccc(nn1)Cl c1c5b2858b632fc59c303bb40ee28a2a [0,1,1,0,0,0|1,0,0]=3 1012 B13R1.9 C/C=C\CNCc1cnc(cn1)Br 035b7a8c122e94d9f0f2e014a85adddc [0,1,1,0,0,0|1,0,0]=3 1013 B13R1.9 C/C=C\CNCc1cnc(cn1)C 477456802f9cbd2cb5224d0e7f33681c [0,1,1,0,0,0|1,0,0]=3 1014 B13R1.9 C/C=C\CNCc1cnc(cn1)Cl 4573292ae7c4f2746d39fac4c0022546 [0,1,1,0,0,0|1,0,0]=3 1015 B13R1.9 C/C=C\CNCc1cnc(nc1)C f2cfd9c38816c2bab0186bee66b5dcbd [0,1,1,0,0,0|1,0,0]=3 1016 B13R1.9 C/C=C\CNCc1cnc(nc1)Cl a6eff09a7b924bc9b5ee25119bf3f342 [0,1,1,0,0,0|1,0,0]=3 1017 B13R1.9 C/C=C\COCc1ccc(cc1)Br 9e4499c6951ad8fbb1107bb7b6cb7dab [0,1,1,0,0,0|2,0,0]=4 1018 B13R1.9 C/C=C\COCc1ccc(cc1)C 5e88bdd5371c58e7179815346f5a1869 [0,1,1,0,0,0|2,0,0]=4 1019 B13R1.9 C/C=C\COCc1ccc(cc1)Cl 68ebb13a7bef8d791bebbdd2a588b29e [0,1,1,0,0,0|2,0,0]=4 1020 B13R1.9 C/C=C\COCc1ccc(cc1)F 7944b7ee5ab3dd23f25abf3288083e07 [0,1,1,0,0,0|2,0,0]=4 1021 B13R1.9 C/C=C\COCc1ccc(cc1)I ebd8431df6648c11c928a38091f01756 [0,1,1,0,0,0|2,0,0]=4 1022 B13R1.9 C/C=C\COCc1ccc(cc1)S 14cbd56ae628a17d8782bcbe45015546 [0,1,1,0,0,0|2,0,0]=4 1023 B13R1.9 C/C=C\COCc1ccc(nc1)Br 2f3cd1e2eb17dd31db0899532ac110f3 [0,1,1,0,0,0|1,0,0]=3 1024 B13R1.9 C/C=C\COCc1ccc(nc1)C 007891c0229314e549b41c3663fdbc12 [0,1,1,0,0,0|1,0,0]=3 1025 B13R1.9 C/C=C\COCc1ccc(nc1)Cl e3b0f96a997f1ea437e762860f8c8c7c [0,1,1,0,0,0|1,0,0]=3 1026 B13R1.9 C/C=C\COCc1ccc(nc1)F 3a84ab0e4c5c7b31ae16c6a5c34edfa8 [0,1,1,0,0,0|1,0,0]=3 1027 B13R1.9 C/C=C\COCc1ccc(nn1)C 9b114d88e3c1dde24a1daec1f4cd43bc [0,1,1,0,0,0|2,0,0]=4 1028 B13R1.9 C/C=C\COCc1ccc(nn1)Cl e73ab8846148b62258c66f0e8d2336fb [0,1,1,0,0,0|2,0,0]=4 1029 B13R1.9 C/C=C\COCc1cnc(cn1)Br 7a0eceaeb09d8b43fdff3886f18ad227 [0,1,1,0,0,0|2,0,0]=4 1030 B13R1.9 C/C=C\COCc1cnc(cn1)C 950cc0bdd05ce163306caf3114b6f2ee [0,1,1,0,0,0|2,0,0]=4 1031 B13R1.9 C/C=C\COCc1cnc(cn1)Cl 86309df6376c11c573d8ab022afb3031 [0,1,1,0,0,0|2,0,0]=4 1032 B13R1.9 C/C=C\COCc1cnc(nc1)Br 2f3c63b6a929054e4ed85d829b75009c [0,1,1,0,0,0|2,0,0]=4 1033 B13R1.9 C/C=C\COCc1cnc(nc1)C d7cf59f50e9e06feee043d45bbe0957e [0,1,1,0,0,0|2,0,0]=4 1034 B13R1.9 C/C=C\COCc1cnc(nc1)Cl 5343760d7f3c1d328e9d5cd55f70ff9e [0,1,1,0,0,0|2,0,0]=4 1035 B13R1.9 C=CCCNCc1ccc(nc1)Br 280c6196ea7f1f099c5a8d83530f5f6b [0,1,1,0,0,0|0,0,2]=4 1036 B13R1.9 C=CCCNCc1ccc(nc1)C 04e6a2d59197ab5b2ea1ffd5afe7e1a2 [0,1,1,0,0,0|0,0,2]=4 1037 B13R1.9 C=CCCNCc1ccc(nc1)Cl fb452643415d0366b48453030a24343d [0,1,1,0,0,0|0,0,2]=4 1038 B13R1.9 C=CCCNCc1ccc(nc1)F 46b9e243076ecca847dc3a2949f8918a [0,1,1,0,0,0|0,0,2]=4 1039 B13R1.9 CC#CCNCc1ccc(nc1)Br b5be241a11b62a9a3e0fbf5b29a7202e [0,1,1,0,0,0|0,0,2]=4 1040 B13R1.9 CC#CCNCc1ccc(nc1)C 0fd6aaec7cdf522ea79043bc6f45c51b [0,1,1,0,0,0|0,0,2]=4 1041 B13R1.9 CC#CCNCc1ccc(nc1)Cl b1a4b17d18ce7eee4c254d249858b025 [0,1,1,0,0,0|0,0,2]=4 1042 B13R1.9 CC#CCNCc1ccc(nc1)F cf30cf5ddc0fe4b73dcd7a1a5a2dfd7f [0,1,1,0,0,0|0,0,2]=4 1043 B13R1.9 CC/C=C/CNc1ccc(nc1)Br f0d221090ecb43210ef64dae8929e155 [0,1,1,0,0,0|2,0,0]=4 1044 B13R1.9 CC/C=C/CNc1ccc(nc1)C 93ce01f05c9349cc79c253be50f9d07f [0,1,1,0,0,0|2,0,0]=4 1045 B13R1.9 CC/C=C/CNc1ccc(nc1)Cl af7bcf86be74e1c50cb18a26dc79aa18 [0,1,1,0,0,0|2,0,0]=4 1046 B13R1.9 CC/C=C/CNc1ccc(nc1)F c3a77096eef64606e73460ef946fdc62 [0,1,1,0,0,0|2,0,0]=4 1047 B13R1.9 CC/C=C/CNc1ccc(nc1)I fed47b8f0e3ae5b1fdd7602b489f4ae8 [0,1,1,0,0,0|2,0,0]=4 1048 B13R1.9 CC/C=C/COc1ccc(nc1)Br ecb1b219bdad6782fbca5b78e3ba34b8 [0,1,1,0,0,0|2,0,0]=4 1049 B13R1.9 CC/C=C/COc1ccc(nc1)C dcca473c9c037d96e7a74aeae92d3b21 [0,1,1,0,0,0|2,0,0]=4 1050 B13R1.9 CC/C=C/COc1ccc(nc1)Cl d67ae322a82cba48c79494494d3eb3b6 [0,1,1,0,0,0|2,0,0]=4 1051 B13R1.9 CC/C=C/COc1ccc(nc1)F c072b35bfdca0166d2f4bc1e2a53243c [0,1,1,0,0,0|2,0,0]=4 1052 B13R1.9 CC/C=C/COc1ccc(nc1)I 95b141839fa34141523b0531f3f2dd36 [0,1,1,0,0,0|2,0,0]=4 1053 B13R1.9 CC=CCNCc1ccc(cc1)Br 8429a533a5c8bd5140a397b234987b8e [0,1,1,0,0,0|1,0,0]=3 1054 B13R1.9 CC=CCNCc1ccc(cc1)C e095b5424dcb9833419aad4e30f4b866 [0,1,1,0,0,0|1,0,0]=3 1055 B13R1.9 CC=CCNCc1ccc(cc1)Cl b312b0bc6c6191a9f0efc13cf6f5e97f [0,1,1,0,0,0|1,0,0]=3 1056 B13R1.9 CC=CCNCc1ccc(cc1)F 3893e1b11aecbb080c015085a098278b [0,1,1,0,0,0|1,0,0]=3 1057 B13R1.9 CC=CCNCc1ccc(cc1)I af68d1b1afb21a623e106218f61d866c [0,1,1,0,0,0|1,0,0]=3 1058 B13R1.9 CC=CCNCc1ccc(cn1)Br 856a679773846fdf8b81f1141ae61bf6 [0,1,1,0,0,0|2,0,0]=4 1059 B13R1.9 CC=CCNCc1ccc(cn1)C b346074640bf006314b1af25e0cd5b19 [0,1,1,0,0,0|2,0,0]=4 1060 B13R1.9 CC=CCNCc1ccc(cn1)Cl a20f39bbe3b6473c896a74a27b5ed14c [0,1,1,0,0,0|2,0,0]=4 1061 B13R1.9 CC=CCNCc1ccc(cn1)F 000a7ed8ea15cde2737f8266e0531a53 [0,1,1,0,0,0|2,0,0]=4 1062 B13R1.9 CC=CCNCc1ccc(nc1)Br 94f9c28a8997a4965cee1024803cde9e [0,1,1,0,0,0|0,0,0]=2 1063 B13R1.9 CC=CCNCc1ccc(nc1)C d34bd62c8503176f014e7b2c4b9d32f5 [0,1,1,0,0,0|0,0,0]=2 1064 B13R1.9 CC=CCNCc1ccc(nc1)Cl 6f6efd8b94042b4ef62f101781aca52e [0,1,1,0,0,0|0,0,0]=2 1065 B13R1.9 CC=CCNCc1ccc(nc1)F 15c178e1b4b44b45a9d96438cba32f4e [0,1,1,0,0,0|0,0,0]=2 1066 B13R1.9 CC=CCNCc1ccc(nn1)Cl 15dac48ddce99852c6aa2b75678e5b1c [0,1,1,0,0,0|1,0,0]=3 1067 B13R1.9 CC=CCNCc1cnc(cn1)Br 1706d68b73f401e777f7bcea70c31dc2 [0,1,1,0,0,0|1,0,0]=3 1068 B13R1.9 CC=CCNCc1cnc(cn1)C afd6ae42c75b68eeafc3b173ce20023f [0,1,1,0,0,0|1,0,0]=3 1069 B13R1.9 CC=CCNCc1cnc(cn1)Cl 9dd240a7d1100c2403aeb8d9c37b90eb [0,1,1,0,0,0|1,0,0]=3 1070 B13R1.9 CC=CCNCc1cnc(nc1)C aefc1519f08b5edf64bfef6f20453498 [0,1,1,0,0,0|1,0,0]=3 1071 B13R1.9 CC=CCNCc1cnc(nc1)Cl 1327936eb6c41de6c2cf9b68ccd3646f [0,1,1,0,0,0|1,0,0]=3 1072 B13R1.9 CC=CCOCc1ccc(cc1)Br 5ac46510b795cb150f8b80e9eff04dd7 [0,1,1,0,0,0|2,0,0]=4 1073 B13R1.9 CC=CCOCc1ccc(cc1)C 9fc4a74c957212604ea8c815b62529a9 [0,1,1,0,0,0|2,0,0]=4 1074 B13R1.9 CC=CCOCc1ccc(cc1)Cl 4b8aad20c7aca75bc871e55eaa7af45e [0,1,1,0,0,0|2,0,0]=4 1075 B13R1.9 CC=CCOCc1ccc(cc1)F 2e0790cabcc0a4059e4f8c3d2bb8f346 [0,1,1,0,0,0|2,0,0]=4 1076 B13R1.9 CC=CCOCc1ccc(cc1)I 9198de68a79dbdaf76c1b96aee52d7c1 [0,1,1,0,0,0|2,0,0]=4 1077 B13R1.9 CC=CCOCc1ccc(nc1)Br 584cf75067931e99e44c9f22fe0d7b10 [0,1,1,0,0,0|1,0,0]=3 1078 B13R1.9 CC=CCOCc1ccc(nc1)C fd421a931ff566204dad0b21e094d46d [0,1,1,0,0,0|1,0,0]=3 1079 B13R1.9 CC=CCOCc1ccc(nc1)Cl 17485c928b9b8799442a5d664a56793c [0,1,1,0,0,0|1,0,0]=3 1080 B13R1.9 CC=CCOCc1ccc(nc1)F 431f41dfcdaf84c3886ec3057e0d2633 [0,1,1,0,0,0|1,0,0]=3 1081 B13R1.9 CC=CCOCc1ccc(nn1)Cl 2c2321b596dbc0d74c1d85179d335df4 [0,1,1,0,0,0|2,0,0]=4 1082 B13R1.9 CC=CCOCc1cnc(cn1)Br 42196ddb37a677a385c356eac8aecfea [0,1,1,0,0,0|2,0,0]=4 1083 B13R1.9 CC=CCOCc1cnc(cn1)C 73891d2e75599f8f215c670e17702cfb [0,1,1,0,0,0|2,0,0]=4 1084 B13R1.9 CC=CCOCc1cnc(nc1)C 7b9f651345627f1842e03ffeced0e57a [0,1,1,0,0,0|2,0,0]=4 1085 B13R1.9 CC=CCOCc1cnc(nc1)Cl a40d792e153d348d2332d78bcc0592c6 [0,1,1,0,0,0|2,0,0]=4 1086 B13R1.9 CCCCNCc1ccc(nc1)Br 858a89caec7beb049ca5dfd2bd89ee15 [0,1,1,0,0,0|0,0,2]=4 1087 B13R1.9 CCCCNCc1ccc(nc1)C af34e2fd15d4b88559ab89c3303b966b [0,1,1,0,0,0|0,0,2]=4 1088 B13R1.9 CCCCNCc1ccc(nc1)Cl 100d36c7205b7c1499f82b2d5e376368 [0,1,1,0,0,0|0,0,2]=4 1089 B13R1.9 CCCCNCc1ccc(nc1)F aabed12f7874fc96b8f855d4b5d39ecb [0,1,1,0,0,0|0,0,2]=4 1090 B13R1.9 CCOCNCc1ccc(nc1)Br 7fc2167edc5e25db3142d59c1c6b3f3d [0,1,1,0,0,0|1,0,1]=4 1091 B13R1.9 CCOCNCc1ccc(nc1)C 470ac6c8b7832b999a1c85766cc8b885 [0,1,1,0,0,0|1,0,1]=4 1092 B13R1.9 CCOCNCc1ccc(nc1)Cl d8e0c809448d706e24395219c31dd293 [0,1,1,0,0,0|1,0,1]=4 1093 B13R1.9 CCOCNCc1ccc(nc1)F 59d9dd6e682909668a78cbeb0dc732e2 [0,1,1,0,0,0|1,0,1]=4 1094 B13R1.9 COCCNCc1ccc(nc1)Br 934cebd7ea7912fa836793147004927e [0,1,1,0,0,0|1,0,1]=4 1095 B13R1.9 COCCNCc1ccc(nc1)C 8a107ae303cfcc11c82c2c8b8e9f242a [0,1,1,0,0,0|1,0,1]=4 1096 B13R1.9 COCCNCc1ccc(nc1)Cl 489cf89ea9a84bf8d85dd272cdbd5261 [0,1,1,0,0,0|1,0,1]=4 1097 B13R1.9 COCCNCc1ccc(nc1)F 759cb54b444b821e14adc07c35a71b8f [0,1,1,0,0,0|1,0,1]=4 1098 B13R1.9 CSCCNCc1ccc(nc1)Br 79470fe33e7483cf2bcd8e5a1357f166 [0,1,1,0,0,0|1,0,1]=4 1099 B13R1.9 CSCCNCc1ccc(nc1)C a7b8acbc7a5c4b142a2da20f8686d069 [0,1,1,0,0,0|1,0,1]=4 1100 B13R1.9 CSCCNCc1ccc(nc1)Cl 43f12de57b0bd3714fa233cea86509f9 [0,1,1,0,0,0|1,0,1]=4 1101 B13R1.9 CSCCNCc1ccc(nc1)F d36b29d89fcadc2ccfb6b054aadfbfa9 [0,1,1,0,0,0|1,0,1]=4 1102 B13R1.9 Cc1ccc(cc1)CNC/C=C/Cl d489bcb9a227355ae494a191739027ff [0,1,1,0,0,0|2,0,0]=4 1103 B13R1.9 Cc1ccc(cc1)CNC/C=C\Cl aabc2ba25f21387e232027fad93de4a6 [0,1,1,0,0,0|2,0,0]=4 1104 B13R1.9 Cc1ccc(cc1)CNC/C=C\O c0804f8d575fb400c131ac8d860b87d3 [0,1,1,0,0,0|2,0,0]=4 1105 B13R1.9 Cc1ccc(cn1)CNC/C=C/Cl 392bd12a78b77a0fac4fad36ae4ecbf9 [0,1,1,0,0,0|1,0,0]=3 1106 B13R1.9 Cc1ccc(cn1)CNC/C=C\Cl 836abf8ade2a1d87094512a9c80c8f51 [0,1,1,0,0,0|1,0,0]=3 1107 B13R1.9 Cc1ccc(cn1)CNC/C=C\O 048fe20b373ac398ff72c9c930004f3d [0,1,1,0,0,0|1,0,0]=3 1108 B13R1.9 Cc1ccc(cn1)CNCCC=O 3f3b250644073bfeb0194d9e9224fc9d [0,1,1,0,0,0|1,0,1]=4 1109 B13R1.9 Cc1ccc(cn1)COC/C=C/Cl 45d696475677e4e53b6fb982d9516b5e [0,1,1,0,0,0|2,0,0]=4 1110 B13R1.9 Cc1ccc(cn1)COC/C=C\Cl c4686f68f3404f82d603cdb91e7ec818 [0,1,1,0,0,0|2,0,0]=4 1111 B13R1.9 Cc1ccc(cn1)COCC=CCl 2c27a45a7f7276ca5ba69b6b15db3723 [0,1,1,0,0,0|2,0,0]=4 1112 B13R1.9 Cc1ccc(nn1)CNC/C=C/Cl f7b68c02c4890d3d95731e40dbd62fd3 [0,1,1,0,0,0|2,0,0]=4 1113 B13R1.9 Cc1ccc(nn1)CNC/C=C\Cl 49ae606ffc931bd4f58b1c464fd87d6c [0,1,1,0,0,0|2,0,0]=4 1114 B13R1.9 Cc1ccc(nn1)CNC/C=C\O 5b3178246751ee7d0f8029158cf541bb [0,1,1,0,0,0|2,0,0]=4 1115 B13R1.9 Cc1cnc(cn1)CNC/C=C/Cl 83e98c03890d7fcf0cfa3c112953f76e [0,1,1,0,0,0|2,0,0]=4 1116 B13R1.9 Cc1cnc(cn1)CNC/C=C\Cl 2357878178e7da0eb89127750494435d [0,1,1,0,0,0|2,0,0]=4 1117 B13R1.9 Cc1cnc(cn1)CNC/C=C\O b094764e692b645ac94a15f6098b0770 [0,1,1,0,0,0|2,0,0]=4 1118 B13R1.9 Cc1ncc(cn1)CNC/C=C/Cl e9f02fbc84fed8d1ad36da8e2abc09d5 [0,1,1,0,0,0|2,0,0]=4 1119 B13R1.9 Cc1ncc(cn1)CNC/C=C\Cl 969c6aab88d112340c895727e211769b [0,1,1,0,0,0|2,0,0]=4 1120 B13R1.9 Cc1ncc(cn1)CNC/C=C\O ea0bdee249729b5c96d73875f5266ddf [0,1,1,0,0,0|2,0,0]=4 1121 B13R1.9 Cl/C=C/CNCc1ccc(cc1)Br d8d66ae34c83800f2b9bb6fd5dc3130a [0,1,1,0,0,0|2,0,0]=4 1122 B13R1.9 Cl/C=C/CNCc1ccc(cc1)Cl 3b8859a60587f8cc61ad7520ba6393c9 [0,1,1,0,0,0|2,0,0]=4 1123 B13R1.9 Cl/C=C/CNCc1ccc(cc1)I fe8d3742b382fdefd8daae4ead3252bc [0,1,1,0,0,0|2,0,0]=4 1124 B13R1.9 Cl/C=C/CNCc1ccc(nc1)Br 79d1fbad359f552933ec0b7162950b02 [0,1,1,0,0,0|1,0,0]=3 1125 B13R1.9 Cl/C=C/CNCc1ccc(nc1)Cl 9be26e5c1d02bc4f51c508d33f7fade0 [0,1,1,0,0,0|1,0,0]=3 1126 B13R1.9 Cl/C=C/CNCc1ccc(nn1)Cl 9bc44ea4d69f68510e8d4ec17dbe69bb [0,1,1,0,0,0|2,0,0]=4 1127 B13R1.9 Cl/C=C/CNCc1cnc(cn1)Br 9a7199d57843908ab4b86bc8a8c90130 [0,1,1,0,0,0|2,0,0]=4 1128 B13R1.9 Cl/C=C/CNCc1cnc(cn1)Cl c647a1a36b4069d9691f6df67844e1d8 [0,1,1,0,0,0|2,0,0]=4 1129 B13R1.9 Cl/C=C/CNCc1cnc(nc1)Cl 48c86eecd6b65d76fa48ea6a4a937cab [0,1,1,0,0,0|2,0,0]=4 1130 B13R1.9 Cl/C=C/COCc1ccc(nc1)Br bf48e271b33fba7efb1f2fabad13aa34 [0,1,1,0,0,0|2,0,0]=4 1131 B13R1.9 Cl/C=C/COCc1ccc(nc1)Cl ff9b78240ad1c903c98315d21fa13503 [0,1,1,0,0,0|2,0,0]=4 1132 B13R1.9 Cl/C=C\CNCc1ccc(cc1)Br f452cff138cc2ecdaa3f552648e7db8a [0,1,1,0,0,0|2,0,0]=4 1133 B13R1.9 Cl/C=C\CNCc1ccc(cc1)Cl 40f9add1c584c54e11672fc99fb07cc4 [0,1,1,0,0,0|2,0,0]=4 1134 B13R1.9 Cl/C=C\CNCc1ccc(cc1)I 1306d8bab39525bd197d32a85754a5ed [0,1,1,0,0,0|2,0,0]=4 1135 B13R1.9 Cl/C=C\CNCc1ccc(nc1)Br 52ff7c5375bbf375916b2878324209cf [0,1,1,0,0,0|1,0,0]=3 1136 B13R1.9 Cl/C=C\CNCc1ccc(nc1)Cl 4ee7d38fa93e46d95ad64b692bd4b5ec [0,1,1,0,0,0|1,0,0]=3 1137 B13R1.9 Cl/C=C\CNCc1ccc(nn1)Cl 6bd284ce14756d3895f94e8e2c4b8b1f [0,1,1,0,0,0|2,0,0]=4 1138 B13R1.9 Cl/C=C\CNCc1cnc(cn1)Br 1c7f80e93b8b1a46bd680e7ea0d2d2c3 [0,1,1,0,0,0|2,0,0]=4 1139 B13R1.9 Cl/C=C\CNCc1cnc(cn1)Cl d58a25b5e3d68a86aaf8f3feb07d531e [0,1,1,0,0,0|2,0,0]=4 1140 B13R1.9 Cl/C=C\CNCc1cnc(nc1)Cl 0ca8ea4ded78c38ab591d11437c87fbf [0,1,1,0,0,0|2,0,0]=4 1141 B13R1.9 Cl/C=C\COCc1ccc(nc1)Br e10d290d9fe29895cd34c9811809014a [0,1,1,0,0,0|2,0,0]=4 1142 B13R1.9 Cl/C=C\COCc1ccc(nc1)Cl 100b41e14aee7fe37fd8f82e192c8619 [0,1,1,0,0,0|2,0,0]=4 1143 B13R1.9 ClC=CCOCc1ccc(nc1)Br 18f7272ab6a83df7d0c42f12fa1c0a3d [0,1,1,0,0,0|2,0,0]=4 1144 B13R1.9 ClC=CCOCc1ccc(nc1)Cl e088008509a053bb6fb78daec3bfd613 [0,1,1,0,0,0|2,0,0]=4 1145 B13R1.9 Fc1ccc(cc1)CNC/C=C/Cl a3858f9b0dd0c03705f9c8464b1b4d31 [0,1,1,0,0,0|2,0,0]=4 1146 B13R1.9 Fc1ccc(cc1)CNC/C=C\Cl 34483cc991aa4910e50bc0237f40e47d [0,1,1,0,0,0|2,0,0]=4 1147 B13R1.9 Fc1ccc(cn1)CNC/C=C/Cl 750d313d182b3e57453e647c236f6449 [0,1,1,0,0,0|1,0,0]=3 1148 B13R1.9 Fc1ccc(cn1)CNC/C=C\Cl aad02317e8e65b0ac52d8bb8b5ac1d78 [0,1,1,0,0,0|1,0,0]=3 1149 B13R1.9 Fc1ccc(cn1)COC/C=C/Cl 798d87d1605c3c870db1dd0bc177d5bd [0,1,1,0,0,0|2,0,0]=4 1150 B13R1.9 Fc1ccc(cn1)COC/C=C\Cl d207fed68f6414f84e93c9cdf110c4a7 [0,1,1,0,0,0|2,0,0]=4 1151 B13R1.9 Fc1ccc(cn1)COCC=CCl 0d342b7d24d47057357ce4b0c2237321 [0,1,1,0,0,0|2,0,0]=4 1152 B13R1.9 O/C=C\CNCc1ccc(cc1)Br 164c858943ea293d8e7e51c927ca5265 [0,1,1,0,0,0|2,0,0]=4 1153 B13R1.9 O/C=C\CNCc1ccc(cc1)Cl 350dbe3217aa16ecbd9b446232fd44c6 [0,1,1,0,0,0|2,0,0]=4 1154 B13R1.9 O/C=C\CNCc1ccc(cc1)F 5d13b85022f731920f6c15814bc8958c [0,1,1,0,0,0|2,0,0]=4 1155 B13R1.9 O/C=C\CNCc1ccc(cc1)I 0b141a8030d97ecc1ccc6afe4bd4a1d9 [0,1,1,0,0,0|2,0,0]=4 1156 B13R1.9 O/C=C\CNCc1ccc(nc1)Br b8d59492dcc4476a887ae8effe6a9559 [0,1,1,0,0,0|1,0,0]=3 1157 B13R1.9 O/C=C\CNCc1ccc(nc1)Cl fcb62740aa613d0d17d6657f23289855 [0,1,1,0,0,0|1,0,0]=3 1158 B13R1.9 O/C=C\CNCc1ccc(nc1)F d1cb46494455cf4cf38c7613aceeaeb9 [0,1,1,0,0,0|1,0,0]=3 1159 B13R1.9 O/C=C\CNCc1ccc(nn1)Cl 3868e73bb4c05fa5a28a80f16c3cfde6 [0,1,1,0,0,0|2,0,0]=4 1160 B13R1.9 O/C=C\CNCc1cnc(cn1)Br 5009982fdbe5975802cd4c0964ca9fb8 [0,1,1,0,0,0|2,0,0]=4 1161 B13R1.9 O/C=C\CNCc1cnc(cn1)Cl 5deb5c0f80de4e48a68c3feab24d4099 [0,1,1,0,0,0|2,0,0]=4 1162 B13R1.9 O/C=C\CNCc1cnc(nc1)Cl 3d6f7ba92124b275bc0f207092a5cbf0 [0,1,1,0,0,0|2,0,0]=4 1163 B13R1.9 O=CCCNCc1ccc(nc1)Br 8c5bebfaf572b366b634e7dfc9b72189 [0,1,1,0,0,0|1,0,1]=4 1164 B13R1.9 O=CCCNCc1ccc(nc1)Cl 97f0754da1d9ab244605f858184a75a8 [0,1,1,0,0,0|1,0,1]=4 1165 B13R1.9 O=CCCNCc1ccc(nc1)F 54253c9fd408954bfde6cc396909e7e8 [0,1,1,0,0,0|1,0,1]=4 1166 B13R1.9 O=c1ccc(c[nH]1)CNC/C=C/Cl c75823e014b6562c76038a1859c241cf [0,1,1,0,0,0|1,0,1]=4 1167 B13R1.9 O=c1ccc(c[nH]1)CNC/C=C\Cl 3666cff0b723acb7d0a15d3bd5368207 [0,1,1,0,0,0|1,0,1]=4 1168 B13R1.9 O=c1ccc(c[nH]1)CNC/C=C\O f44e0f9c85b849ef8a600847c652401b [0,1,1,0,0,0|1,0,1]=4 1169 B13R1.24 C/C=C/CNC(C)c1ccccc1 01719991704875a038b36a81c2db7987 [0,1,1,0,0,0|1,0,0]=3 1170 B13R1.24 C/C=C/CNC(C)c1ccccn1 ac158c38e420f76db87b3e50b987a6c9 [0,1,1,0,0,0|2,0,0]=4 1171 B13R1.24 C/C=C/CNC(C)c1cccnc1 fbff62351abac35c096c1c0eca859054 [0,1,1,0,0,0|0,0,0]=2 1172 B13R1.24 C/C=C/CNC(C)c1cccnn1 3000c7260135427dd9b57038a930f556 [0,1,1,0,0,0|1,0,0]=3 1173 B13R1.24 C/C=C/CNC(C)c1ccncc1 b12eb03aef922095e712e97b1157354c [0,1,1,0,0,0|2,0,0]=4 1174 B13R1.24 C/C=C/CNC(C)c1ccnnc1 ce891d06e1b30fdf4782ac378ec554fd [0,1,1,0,0,0|1,0,0]=3 1175 B13R1.24 C/C=C/CNC(C)c1cnccn1 187aafd40f086d36638280316633b031 [0,1,1,0,0,0|1,0,0]=3 1176 B13R1.24 C/C=C/CNC(C)c1cncnc1 29f791895cfbba239aac9142b03a6396 [0,1,1,0,0,0|1,0,0]=3 1177 B13R1.24 C/C=C/CN[C@@H](C)c1ccccc1 0fca2022d80e65da8978bc3af7dd8275 [0,1,1,0,0,0|1,0,0]=3 1178 B13R1.24 C/C=C/CN[C@@H](C)c1ccccn1 4b7edf914cc70eea3425c497d5eab764 [0,1,1,0,0,0|2,0,0]=4 1179 B13R1.24 C/C=C/CN[C@@H](C)c1cccnc1 5a727cec9b22fbf05c7b88a285307ec1 [0,1,1,0,0,0|0,0,0]=2 1180 B13R1.24 C/C=C/CN[C@@H](C)c1ccncc1 001878cb0ae2072520026e4b41f742e7 [0,1,1,0,0,0|2,0,0]=4 1181 B13R1.24 C/C=C/CN[C@@H](C)c1cncnc1 0ec6e559b5688299c407e81e7d0545f3 [0,1,1,0,0,0|1,0,0]=3 1182 B13R1.24 C/C=C/CN[C@H](C)c1ccccc1 04a5ad9a4bc131561a0f525c2b7a054f [0,1,1,0,0,0|1,0,0]=3 1183 B13R1.24 C/C=C/CN[C@H](C)c1ccccn1 f896aa629f1da27005b7282b8c85b672 [0,1,1,0,0,0|2,0,0]=4 1184 B13R1.24 C/C=C/CN[C@H](C)c1cccnc1 4ae71fcaf5d7c87f4eb2a879078ba9c7 [0,1,1,0,0,0|0,0,0]=2 1185 B13R1.24 C/C=C/CN[C@H](C)c1ccncc1 1bd70452939485d12d54a2efb69ee4ec [0,1,1,0,0,0|2,0,0]=4 1186 B13R1.24 C/C=C/CN[C@H](C)c1cncnc1 5044fdcded9e7c16217b3c700918b8d6 [0,1,1,0,0,0|1,0,0]=3 1187 B13R1.24 C/C=C/COC(C)c1ccccc1 86eb34f7cf023b9943113b44160c2401 [0,1,1,0,0,0|2,0,0]=4 1188 B13R1.24 C/C=C/COC(C)c1cccnc1 78c4fd2c88ed85e27473def6c5a05ad5 [0,1,1,0,0,0|1,0,0]=3 1189 B13R1.24 C/C=C/COC(C)c1cccnn1 bf97a7cfe2a59e74a1a532b4ec513586 [0,1,1,0,0,0|2,0,0]=4 1190 B13R1.24 C/C=C/COC(C)c1cnccn1 e3512a5009fd772bc530715e8a8152af [0,1,1,0,0,0|2,0,0]=4 1191 B13R1.24 C/C=C/CO[C@@H](C)c1ccccc1 5b41186167d60f22b6e1df265521d768 [0,1,1,0,0,0|2,0,0]=4 1192 B13R1.24 C/C=C/CO[C@@H](C)c1cccnc1 c813f6ce828080824e90577401942c0b [0,1,1,0,0,0|1,0,0]=3 1193 B13R1.24 C/C=C/CO[C@@H](C)c1cnccn1 02cbe7afdc19c496dbe23b247678cc3f [0,1,1,0,0,0|2,0,0]=4 1194 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 2bd22cd009cbeccfead3b28c0736ff14 [0,1,1,0,0,0|2,0,0]=4 1195 B13R1.24 C/C=C/CO[C@H](C)c1cccnc1 37bc24ddf9b0c6e9c33a26bc8f64a68b [0,1,1,0,0,0|1,0,0]=3 1196 B13R1.24 C/C=C/CO[C@H](C)c1cccnn1 6a87c82363a7f6c135b2f34ef730ceda [0,1,1,0,0,0|2,0,0]=4 1197 B13R1.24 C/C=C/CO[C@H](C)c1cnccn1 383f228874bf7d7f2bf0dfed4258451a [0,1,1,0,0,0|2,0,0]=4 1198 B13R1.24 C/C=C\CNC(C)c1ccccc1 f43c9624cc55fd3fe55d13a719c6f37b [0,1,1,0,0,0|1,0,0]=3 1199 B13R1.24 C/C=C\CNC(C)c1ccccn1 5538a46f30b17ad9dc3591002a2ce537 [0,1,1,0,0,0|2,0,0]=4 1200 B13R1.24 C/C=C\CNC(C)c1cccnc1 dfbcf38902ca0425418c01bf2f66ced5 [0,1,1,0,0,0|0,0,0]=2 1201 B13R1.24 C/C=C\CNC(C)c1cccnn1 1c67d2d691380fd5c5ebdf82c28d4ff6 [0,1,1,0,0,0|1,0,0]=3 1202 B13R1.24 C/C=C\CNC(C)c1ccncc1 ab99cc0d8f9e073b9b8f460c19130f53 [0,1,1,0,0,0|2,0,0]=4 1203 B13R1.24 C/C=C\CNC(C)c1ccnnc1 2f4a23bb05ca5d0852084224287e7d78 [0,1,1,0,0,0|1,0,0]=3 1204 B13R1.24 C/C=C\CNC(C)c1cnccn1 b0a05c6ff8e87d0c77f9c4526de456eb [0,1,1,0,0,0|1,0,0]=3 1205 B13R1.24 C/C=C\CNC(C)c1cncnc1 51656a025581b33877bee4072bab9f74 [0,1,1,0,0,0|1,0,0]=3 1206 B13R1.24 C/C=C\CN[C@@H](C)c1ccccc1 bab317da400ee01b4a621d69a8eb66cd [0,1,1,0,0,0|1,0,0]=3 1207 B13R1.24 C/C=C\CN[C@@H](C)c1ccccn1 5f6b50289168fca7032093c32fe89baa [0,1,1,0,0,0|2,0,0]=4 1208 B13R1.24 C/C=C\CN[C@@H](C)c1cccnc1 5ff1c4a639b597eebdb4fcf833fb5d6a [0,1,1,0,0,0|0,0,0]=2 1209 B13R1.24 C/C=C\CN[C@@H](C)c1ccncc1 1e6385da243f0a07ab7208b16c1ec3e0 [0,1,1,0,0,0|2,0,0]=4 1210 B13R1.24 C/C=C\CN[C@@H](C)c1cncnc1 c29b1064d6bfd2922b1f79559db2624a [0,1,1,0,0,0|1,0,0]=3 1211 B13R1.24 C/C=C\CN[C@H](C)c1ccccc1 30ab4caa4dd1b1ba3fbc841e7a8fd5cb [0,1,1,0,0,0|1,0,0]=3 1212 B13R1.24 C/C=C\CN[C@H](C)c1ccccn1 650a69252ea74199c5d897934477f5a2 [0,1,1,0,0,0|2,0,0]=4 1213 B13R1.24 C/C=C\CN[C@H](C)c1cccnc1 f69415e4f3115b6a274631cc87861034 [0,1,1,0,0,0|0,0,0]=2 1214 B13R1.24 C/C=C\CN[C@H](C)c1ccncc1 f5eb224765b77880de1e2dbc30e1d8d7 [0,1,1,0,0,0|2,0,0]=4 1215 B13R1.24 C/C=C\CN[C@H](C)c1cncnc1 a95bec457210d1f1d15044351ac169ea [0,1,1,0,0,0|1,0,0]=3 1216 B13R1.24 C/C=C\COC(C)c1ccccc1 e8933c9e95690c28cfa341a626adbe3f [0,1,1,0,0,0|2,0,0]=4 1217 B13R1.24 C/C=C\COC(C)c1cccnc1 e34285738ee882693d82e91cf85a19e2 [0,1,1,0,0,0|1,0,0]=3 1218 B13R1.24 C/C=C\COC(C)c1cccnn1 10c97a2cc645c23edf884331c852f2cf [0,1,1,0,0,0|2,0,0]=4 1219 B13R1.24 C/C=C\COC(C)c1cnccn1 5500b9d081ed9fac1c8fd77180df4e8c [0,1,1,0,0,0|2,0,0]=4 1220 B13R1.24 C/C=C\CO[C@@H](C)c1ccccc1 b5c27f5341a874e011e52dcf3823c7e1 [0,1,1,0,0,0|2,0,0]=4 1221 B13R1.24 C/C=C\CO[C@@H](C)c1cccnc1 2499735fc9c85b4a3a02ce7a1c20fb03 [0,1,1,0,0,0|1,0,0]=3 1222 B13R1.24 C/C=C\CO[C@@H](C)c1cnccn1 afaa80c2b9cf3142344764891ac1e6b3 [0,1,1,0,0,0|2,0,0]=4 1223 B13R1.24 C/C=C\CO[C@H](C)c1ccccc1 5159de5295e739c1e3e6f8b4d9e846ed [0,1,1,0,0,0|2,0,0]=4 1224 B13R1.24 C/C=C\CO[C@H](C)c1cccnc1 5dd3ff8c3bd0661d7bf967b23cc72cd8 [0,1,1,0,0,0|1,0,0]=3 1225 B13R1.24 C/C=C\CO[C@H](C)c1cccnn1 4bc9cf9a86437245ea48faadf23da781 [0,1,1,0,0,0|2,0,0]=4 1226 B13R1.24 C/C=C\CO[C@H](C)c1cnccn1 087297b4de8e03b3802825845f3db3e1 [0,1,1,0,0,0|2,0,0]=4 1227 B13R1.24 C=CCCNC(C)c1cccnc1 89209edb8ae0bf3d765b30af2d24256e [0,1,1,0,0,0|0,0,2]=4 1228 B13R1.24 C=CCCN[C@@H](C)c1cccnc1 d8918f24343cda8f3839dad7c9e2a8e2 [0,1,1,0,0,0|0,0,2]=4 1229 B13R1.24 C=CCCN[C@H](C)c1cccnc1 595aece5e49c8cfb34fa2c6d7f90c74c [0,1,1,0,0,0|0,0,2]=4 1230 B13R1.24 CC(NC/C=C/Cl)c1ccccc1 5631b7080fec3ad5a16a50cffe9d51cc [0,1,1,0,0,0|2,0,0]=4 1231 B13R1.24 CC(NC/C=C/Cl)c1cccnc1 4ec03fb9dcd3b508e1bbe29fce23cbcd [0,1,1,0,0,0|1,0,0]=3 1232 B13R1.24 CC(NC/C=C/Cl)c1cccnn1 008a4d581898a746761f8d5f665aeae4 [0,1,1,0,0,0|2,0,0]=4 1233 B13R1.24 CC(NC/C=C/Cl)c1ccnnc1 16aebdf25dca4bb2a33ec63a835b1a6a [0,1,1,0,0,0|2,0,0]=4 1234 B13R1.24 CC(NC/C=C/Cl)c1cnccn1 ad56d92f6a9295d03970d55386af796b [0,1,1,0,0,0|2,0,0]=4 1235 B13R1.24 CC(NC/C=C/Cl)c1cncnc1 71eb649c69b896e0857fc1c9d09e630e [0,1,1,0,0,0|2,0,0]=4 1236 B13R1.24 CC(NC/C=C\Cl)c1ccccc1 c61f03eee14b55a5463c2fd51bc915c5 [0,1,1,0,0,0|2,0,0]=4 1237 B13R1.24 CC(NC/C=C\Cl)c1cccnc1 172972a09948f91066e057518995ae04 [0,1,1,0,0,0|1,0,0]=3 1238 B13R1.24 CC(NC/C=C\Cl)c1cccnn1 71f14bf3d19843d4945184a9241c5f46 [0,1,1,0,0,0|2,0,0]=4 1239 B13R1.24 CC(NC/C=C\Cl)c1ccnnc1 acb977cd4d00c240d4bcabd0bb0f3f3a [0,1,1,0,0,0|2,0,0]=4 1240 B13R1.24 CC(NC/C=C\Cl)c1cnccn1 9c083f8fad051644a97a62cb55756550 [0,1,1,0,0,0|2,0,0]=4 1241 B13R1.24 CC(NC/C=C\Cl)c1cncnc1 505993c02c76e21c4a00442c318cf6a4 [0,1,1,0,0,0|2,0,0]=4 1242 B13R1.24 CC(NC/C=C\O)c1ccccc1 13c455cc73387bafba67039f8c5ef023 [0,1,1,0,0,0|2,0,0]=4 1243 B13R1.24 CC(NC/C=C\O)c1cccnc1 89fc59be06da43e68df33aaa8377f73f [0,1,1,0,0,0|1,0,0]=3 1244 B13R1.24 CC(NC/C=C\O)c1cccnn1 14c36f89fe0566c7fce8c7039e175749 [0,1,1,0,0,0|2,0,0]=4 1245 B13R1.24 CC(NC/C=C\O)c1ccnnc1 459c0706476d22103b5deaac7531cb0d [0,1,1,0,0,0|2,0,0]=4 1246 B13R1.24 CC(NC/C=C\O)c1cnccn1 4e1a14c349877eaa84eb5834bcf9fabd [0,1,1,0,0,0|2,0,0]=4 1247 B13R1.24 CC(NC/C=C\O)c1cncnc1 d5fac418953951b8e1cec434e68226cb [0,1,1,0,0,0|2,0,0]=4 1248 B13R1.24 CC(NCCC=O)c1cccnc1 616662fe949bb84d0dd4df71b70c1441 [0,1,1,0,0,0|1,0,1]=4 1249 B13R1.24 CC(OC/C=C/Cl)c1cccnc1 08753067863a52af45fecb24be8054f2 [0,1,1,0,0,0|2,0,0]=4 1250 B13R1.24 CC(OC/C=C\Cl)c1cccnc1 ee5edb432f56d2423db0385619047533 [0,1,1,0,0,0|2,0,0]=4 1251 B13R1.24 CC/C=C/CN(C)c1cccnc1 c5f57de6a9b8a9cadbf471a4938f07a4 [0,1,1,0,0,0|2,0,0]=4 1252 B13R1.24 CC=CCNC(=O)c1ccccc1 0af23d23d24c444828921ec9cd17aae0 [0,1,1,0,0,0|1,0,1]=4 1253 B13R1.24 CC=CCNC(=O)c1cccnc1 153fe8051aac8ee7a248410688502d58 [0,1,1,0,0,0|0,0,1]=3 1254 B13R1.24 CC=CCNC(=O)c1cccnn1 c1afe19b31821a8b3f75bf9c441c5777 [0,1,1,0,0,0|1,0,1]=4 1255 B13R1.24 CC=CCNC(=O)c1ccnnc1 747d6a567e1c0413ec82dad4ee4dedda [0,1,1,0,0,0|1,0,1]=4 1256 B13R1.24 CC=CCNC(=O)c1cnccn1 b99f9988944748abd87a83318673af91 [0,1,1,0,0,0|1,0,1]=4 1257 B13R1.24 CC=CCNC(=O)c1cncnc1 bb073326c9ae12bcd9cc09031ad6bc30 [0,1,1,0,0,0|1,0,1]=4 1258 B13R1.24 CC=CCNC(C)c1ccccc1 9d71e6349f1731aceb846ea8648c3d46 [0,1,1,0,0,0|1,0,0]=3 1259 B13R1.24 CC=CCNC(C)c1ccccn1 8145935cf1c5764346ce38ce7daae298 [0,1,1,0,0,0|2,0,0]=4 1260 B13R1.24 CC=CCN[C@@H](C)c1ccccc1 7c89fdf25eeb5081aab49523fa9cf2ae [0,1,1,0,0,0|1,0,0]=3 1261 B13R1.24 CC=CCN[C@H](C)c1ccccc1 dbe5acd27ad361af5906140540f653e1 [0,1,1,0,0,0|1,0,0]=3 1262 B13R1.24 CCCCNC(C)c1cccnc1 218a75e39d96e89f8d1190f7477f1e65 [0,1,1,0,0,0|0,0,2]=4 1263 B13R1.24 CCCCN[C@@H](C)c1cccnc1 bef95405f01950ed3999d608bbd1b879 [0,1,1,0,0,0|0,0,2]=4 1264 B13R1.24 CCCCN[C@H](C)c1cccnc1 fdb6dec34bc839f674b6daf22caa8500 [0,1,1,0,0,0|0,0,2]=4 1265 B13R1.24 CCOCNC(C)c1cccnc1 dcc2205416037b6527fd9a8959f4bd6a [0,1,1,0,0,0|1,0,1]=4 1266 B13R1.24 CCOCN[C@@H](C)c1cccnc1 4c721688875f1af7daddd46afadabd4a [0,1,1,0,0,0|1,0,1]=4 1267 B13R1.24 CCOCN[C@H](C)c1cccnc1 976040f92c7873d2ff12ce5d59f9d21a [0,1,1,0,0,0|1,0,1]=4 1268 B13R1.24 COCCNC(C)c1cccnc1 93536eea5c4d2ab0ae96cc1902af6d39 [0,1,1,0,0,0|1,0,1]=4 1269 B13R1.24 COCCN[C@@H](C)c1cccnc1 1da1dd26f9961dd3891f075817c8caae [0,1,1,0,0,0|1,0,1]=4 1270 B13R1.24 COCCN[C@H](C)c1cccnc1 8cf5b21bf9f9e70ef76bd8ccb511d2be [0,1,1,0,0,0|1,0,1]=4 1271 B13R1.24 CSCCNC(C)c1cccnc1 bb81b5454dc0ecb3208dfc5419cb1b68 [0,1,1,0,0,0|1,0,1]=4 1272 B13R1.24 CSCCN[C@@H](C)c1cccnc1 c312174a04ecfedca20cd6cce402209c [0,1,1,0,0,0|1,0,1]=4 1273 B13R1.24 CSCCN[C@H](C)c1cccnc1 7dedf8451f6d9e09beca4e2a1fafedfc [0,1,1,0,0,0|1,0,1]=4 1274 B13R1.24 C[C@@H](NC/C=C/Cl)c1ccccc1 c47bb873ae8df26ac6ffd620b51a02f4 [0,1,1,0,0,0|2,0,0]=4 1275 B13R1.24 C[C@@H](NC/C=C/Cl)c1cccnc1 0ee22293d81adc7ae667c01396aff83e [0,1,1,0,0,0|1,0,0]=3 1276 B13R1.24 C[C@@H](NC/C=C/Cl)c1cncnc1 4e4195bf54ffec62c331d9f1db9246e3 [0,1,1,0,0,0|2,0,0]=4 1277 B13R1.24 C[C@@H](NC/C=C\Cl)c1ccccc1 08714487c34d24dbfbc9e1e17c6d644f [0,1,1,0,0,0|2,0,0]=4 1278 B13R1.24 C[C@@H](NC/C=C\Cl)c1cccnc1 bc26a19043c7b27b4f288bb98159f88f [0,1,1,0,0,0|1,0,0]=3 1279 B13R1.24 C[C@@H](NC/C=C\Cl)c1cncnc1 643221d34e5418ae421876a7543ab18f [0,1,1,0,0,0|2,0,0]=4 1280 B13R1.24 C[C@@H](NC/C=C\O)c1ccccc1 e256ee0a86247bb2237b193b462440c0 [0,1,1,0,0,0|2,0,0]=4 1281 B13R1.24 C[C@@H](NC/C=C\O)c1cccnc1 80b9447249e965a10424961863d0c20a [0,1,1,0,0,0|1,0,0]=3 1282 B13R1.24 C[C@@H](NC/C=C\O)c1cncnc1 2e4e5a2619e8695fc26e0a1dd0f471cc [0,1,1,0,0,0|2,0,0]=4 1283 B13R1.24 C[C@@H](NCCC=O)c1cccnc1 de564ef6c6b2b2596d7e7fd3d7787cce [0,1,1,0,0,0|1,0,1]=4 1284 B13R1.24 C[C@@H](OC/C=C/Cl)c1cccnc1 b6be0a27647cc591421b7c8ae179b043 [0,1,1,0,0,0|2,0,0]=4 1285 B13R1.24 C[C@@H](OC/C=C\Cl)c1cccnc1 a9bc8fcdf2cd269dd3a9ba6a3bc5c7ba [0,1,1,0,0,0|2,0,0]=4 1286 B13R1.24 C[C@H](NC/C=C/Cl)c1ccccc1 2b393c2b7f16613faf5545a04205f171 [0,1,1,0,0,0|2,0,0]=4 1287 B13R1.24 C[C@H](NC/C=C/Cl)c1cccnc1 9315e9b1a1be41370805514cc27454bb [0,1,1,0,0,0|1,0,0]=3 1288 B13R1.24 C[C@H](NC/C=C/Cl)c1cncnc1 f9a5db647553d119ef112ed00ffa4401 [0,1,1,0,0,0|2,0,0]=4 1289 B13R1.24 C[C@H](NC/C=C\Cl)c1ccccc1 bfe954e43b82da6dcdafa480c81884b8 [0,1,1,0,0,0|2,0,0]=4 1290 B13R1.24 C[C@H](NC/C=C\Cl)c1cccnc1 3b7497f0e248323565e63f7254cf0cbf [0,1,1,0,0,0|1,0,0]=3 1291 B13R1.24 C[C@H](NC/C=C\Cl)c1cncnc1 29e7e0299c9144058c59d0fc01faabd5 [0,1,1,0,0,0|2,0,0]=4 1292 B13R1.24 C[C@H](NC/C=C\O)c1ccccc1 b55c5bee9d6008e0ded781641233d335 [0,1,1,0,0,0|2,0,0]=4 1293 B13R1.24 C[C@H](NC/C=C\O)c1cccnc1 5199c27bef36b4eb076321eea69b24ed [0,1,1,0,0,0|1,0,0]=3 1294 B13R1.24 C[C@H](NC/C=C\O)c1cncnc1 0ab610dd646a13f8719d87957b7c59e4 [0,1,1,0,0,0|2,0,0]=4 1295 B13R1.24 C[C@H](NCCC=O)c1cccnc1 334d6bdd0f7b63d37de540ddc037e273 [0,1,1,0,0,0|1,0,1]=4 1296 B13R1.24 C[C@H](OC/C=C/Cl)c1cccnc1 43c13f51765d4a8cb2c82f9e65c6450e [0,1,1,0,0,0|2,0,0]=4 1297 B13R1.24 C[C@H](OC/C=C\Cl)c1cccnc1 2732bbcfea11567b5eab9b85b87b53dd [0,1,1,0,0,0|2,0,0]=4 1298 B13R1.28 C/C=C/CCOCc1ccccc1 01e961355a391578e6b988e0f8572f3c [0,1,1,0,0,0|2,0,0]=4 1299 B13R1.28 C/C=C/CCOCc1cccnc1 7bf992f00fcfa51f3a7ab2cc74f57755 [0,1,1,0,0,0|1,0,0]=3 1300 B13R1.28 C/C=C/CCOCc1cccnn1 d1960672a3a08b22d1cd7f769a6120ec [0,1,1,0,0,0|2,0,0]=4 1301 B13R1.28 C/C=C/CCOCc1cncnc1 8f09ef890b5e04e5d2c2ff297cfa0884 [0,1,1,0,0,0|2,0,0]=4 1302 B13R1.28 C/C=C/CNCCc1ccccc1 8ab93d592e75368b33e0c84307ec6acf [0,1,1,0,0,0|1,0,0]=3 1303 B13R1.28 C/C=C/CNCCc1ccccn1 5fb94ba9a9a3b1efeef3e328c6a5618f [0,1,1,0,0,0|2,0,0]=4 1304 B13R1.28 C/C=C/CNCCc1cccnc1 cbbd209aaf318ea2c4fb2daba1f26281 [0,1,1,0,0,0|0,0,0]=2 1305 B13R1.28 C/C=C/CNCCc1ccncc1 5862b8cfe32f2c6794d27d8872a24513 [0,1,1,0,0,0|2,0,0]=4 1306 B13R1.28 C/C=C/CNCCc1cnccn1 79a6d3406508de92310d3c51a633deb4 [0,1,1,0,0,0|1,0,0]=3 1307 B13R1.28 C/C=C/COCCc1ccccc1 caa1c2484a9d868c35520da71e94ba06 [0,1,1,0,0,0|2,0,0]=4 1308 B13R1.28 C/C=C/COCCc1cccnc1 c91e5d7ccac7139920a5fdb85abd59ad [0,1,1,0,0,0|1,0,0]=3 1309 B13R1.28 C/C=C/COCCc1cnccn1 4ba899d7da0bcd5cb9f62a1b15bf0938 [0,1,1,0,0,0|2,0,0]=4 1310 B13R1.28 C/C=C/COCCc1cncnc1 832535cf895ef8b31dcfa3dd6f156031 [0,1,1,0,0,0|2,0,0]=4 1311 B13R1.28 C/C=C/COCSc1ccccc1 ffa9099c7a65d8df3ef5795365cd143b [0,1,1,0,0,0|2,0,0]=4 1312 B13R1.28 C/C=C\CCCNc1ccccc1 55e5670287f80f241dd84e4168dfc118 [0,1,1,0,0,0|2,0,0]=4 1313 B13R1.28 C/C=C\CCCNc1cccnc1 4beaf8664d11de3d4a0b6705232eb4e1 [0,1,1,0,0,0|1,0,0]=3 1314 B13R1.28 C/C=C\CCCNc1cccnn1 f5fbf7cfdb6bfd3b05f04ff29d40cd9b [0,1,1,0,0,0|2,0,0]=4 1315 B13R1.28 C/C=C\CCCNc1ccnnc1 a06bfd6123fecd7564008890023425d0 [0,1,1,0,0,0|2,0,0]=4 1316 B13R1.28 C/C=C\CCCNc1cnccn1 e02bcbb3f4e1e79d8690d330e2d58119 [0,1,1,0,0,0|2,0,0]=4 1317 B13R1.28 C/C=C\CCCNc1cncnc1 72a7c692fd271c947aabdd205f5de0b5 [0,1,1,0,0,0|2,0,0]=4 1318 B13R1.28 C/C=C\CCCOc1cccnc1 a37e04f2b945a3f6b084293aa6ec6983 [0,1,1,0,0,0|1,0,0]=3 1319 B13R1.28 C/C=C\CCCOc1ccnnc1 c99113c2e7a19029c1c351db9b271e64 [0,1,1,0,0,0|2,0,0]=4 1320 B13R1.28 C/C=C\CCCOc1cnccn1 c658040a7d51236e07315a600fdb5151 [0,1,1,0,0,0|2,0,0]=4 1321 B13R1.28 C/C=C\CCCOc1cncnc1 bd9d58e19d86900a928bd9854bb8eaad [0,1,1,0,0,0|2,0,0]=4 1322 B13R1.28 C/C=C\CNCCc1ccccc1 ccc17e854afc1e38f1474c2c8240832c [0,1,1,0,0,0|1,0,0]=3 1323 B13R1.28 C/C=C\CNCCc1ccccn1 61a9f357310040f1bdd3689e1375a43a [0,1,1,0,0,0|2,0,0]=4 1324 B13R1.28 C/C=C\CNCCc1cccnc1 40c2eb94a0254fbcbe034d0d4c13f696 [0,1,1,0,0,0|0,0,0]=2 1325 B13R1.28 C/C=C\CNCCc1ccncc1 60810a30af0b463906b7bf4a3540df45 [0,1,1,0,0,0|2,0,0]=4 1326 B13R1.28 C/C=C\CNCCc1cnccn1 19e404de70d0471a79d37a16a7228e2e [0,1,1,0,0,0|1,0,0]=3 1327 B13R1.28 C/C=C\COCCc1ccccc1 ea16e20f83f23a3ec853939ea68edcc4 [0,1,1,0,0,0|2,0,0]=4 1328 B13R1.28 C/C=C\COCCc1cccnc1 492d0b10c0bb7e52bea3a776f54d59f8 [0,1,1,0,0,0|1,0,0]=3 1329 B13R1.28 C/C=C\COCCc1cnccn1 5efce4482b9e077b35ac0aa37b29d205 [0,1,1,0,0,0|2,0,0]=4 1330 B13R1.28 C/C=C\COCCc1cncnc1 be560a7e2a30a5a36da0cbdb2948ba69 [0,1,1,0,0,0|2,0,0]=4 1331 B13R1.28 C/C=C\COCSc1ccccc1 7291adfac6292210c17e0d36db7c5bfa [0,1,1,0,0,0|2,0,0]=4 1332 B13R1.28 C=C/C=C/CCNc1cccnc1 390cc8c0c4a3c48ca93243be1a61ee5d [0,1,1,0,0,0|1,0,1]=4 1333 B13R1.28 C=CCCCNCc1cccnc1 de760e4c83a063d598e80dec55bf6e7a [0,1,1,0,0,0|0,0,2]=4 1334 B13R1.28 C=CCCNCCc1cccnc1 ccd3c265c9d71ca4268146852942a06a [0,1,1,0,0,0|0,0,2]=4 1335 B13R1.28 C=COCCNCc1cccnc1 de6bfa81331e9d94fd12d15c93c92191 [0,1,1,0,0,0|0,0,2]=4 1336 B13R1.28 CC#CCNCCc1cccnc1 e03f411b774576a190e6d87cef8c914b [0,1,1,0,0,0|0,0,2]=4 1337 B13R1.28 CC/C=C/CNCc1ccccc1 03c193035a3be2e4cd018c8e895f9718 [0,1,1,0,0,0|1,0,0]=3 1338 B13R1.28 CC/C=C/CNCc1ccccn1 ba3d9be0e94902d43c4514b094353fe9 [0,1,1,0,0,0|2,0,0]=4 1339 B13R1.28 CC/C=C/CNCc1cccnc1 faa006c70c6763adc624c772055b0f84 [0,1,1,0,0,0|0,0,0]=2 1340 B13R1.28 CC/C=C/CNCc1cccnn1 008c362653dc238f842d70346a846372 [0,1,1,0,0,0|1,0,0]=3 1341 B13R1.28 CC/C=C/CNCc1ccncc1 91c8cc188c075edd3eb8f98511689d4c [0,1,1,0,0,0|2,0,0]=4 1342 B13R1.28 CC/C=C/CNCc1ccnnc1 f318deee198cce8e1c21e05c0d30614e [0,1,1,0,0,0|1,0,0]=3 1343 B13R1.28 CC/C=C/CNCc1cnccn1 bab3a1d369954ba13b947356119b2a44 [0,1,1,0,0,0|1,0,0]=3 1344 B13R1.28 CC/C=C/CNCc1cncnc1 7b0244f2bad1f4ecdb34f431ae7aa1b9 [0,1,1,0,0,0|1,0,0]=3 1345 B13R1.28 CC/C=C/COCc1ccccc1 dfb2ae6a0ae6f14a55bfd885fdf0e230 [0,1,1,0,0,0|2,0,0]=4 1346 B13R1.28 CC/C=C/COCc1cccnc1 00cb522918dc8fe1bdf66f34f7b1f6ad [0,1,1,0,0,0|1,0,0]=3 1347 B13R1.28 CC/C=C/COCc1cccnn1 5e8e50090feac46f64e2f381e11898fb [0,1,1,0,0,0|2,0,0]=4 1348 B13R1.28 CC/C=C/COCc1ccnnc1 1d4bcaa2398fcf0a1f480ada26a9c70d [0,1,1,0,0,0|2,0,0]=4 1349 B13R1.28 CC/C=C/COCc1cnccn1 835a6c73dd832328d2d044a9302170f5 [0,1,1,0,0,0|2,0,0]=4 1350 B13R1.28 CC/C=C/COCc1cncnc1 47b0f373620aa4f12d09990007e89748 [0,1,1,0,0,0|2,0,0]=4 1351 B13R1.28 CC/C=C\CCNc1ccccc1 9095e60ac046070d645d235c5e833297 [0,1,1,0,0,0|2,0,0]=4 1352 B13R1.28 CC/C=C\CCNc1cccnc1 c3de1e13f67c976b43f084535e30927e [0,1,1,0,0,0|1,0,0]=3 1353 B13R1.28 CC/C=C\CCNc1cccnn1 41ab9428b183dae334c0ada7ce2f191f [0,1,1,0,0,0|2,0,0]=4 1354 B13R1.28 CC/C=C\CCNc1ccnnc1 e65779aa93eccdbc28608aa208d43cc9 [0,1,1,0,0,0|2,0,0]=4 1355 B13R1.28 CC/C=C\CCNc1cnccn1 2102d456e002d6f77e0cc452b3a7b15f [0,1,1,0,0,0|2,0,0]=4 1356 B13R1.28 CC/C=C\CCNc1cncnc1 515cdb7114b8bdd0a28460bc2d9b36aa [0,1,1,0,0,0|2,0,0]=4 1357 B13R1.28 CC/C=C\CCOc1cccnc1 e8136bc0fb95ae8558e8af48f279df8a [0,1,1,0,0,0|1,0,0]=3 1358 B13R1.28 CC/C=C\CCOc1ccnnc1 5d1f2657fc3e14043896fc68d7cef67c [0,1,1,0,0,0|2,0,0]=4 1359 B13R1.28 CC/C=C\CCOc1cnccn1 bf80626788ba4b48f551a60938c930c1 [0,1,1,0,0,0|2,0,0]=4 1360 B13R1.28 CC/C=C\CCOc1cncnc1 7ca10fb86c031ec207eda6d1986e8b39 [0,1,1,0,0,0|2,0,0]=4 1361 B13R1.28 CC/C=C\COCc1ccccc1 227d9d8dc3d7269476ed2e9ccabe1339 [0,1,1,0,0,0|2,0,0]=4 1362 B13R1.28 CC/C=C\COCc1cccnc1 5f01deaa6c83e4eda52720b83e2fd5f0 [0,1,1,0,0,0|1,0,0]=3 1363 B13R1.28 CC/C=C\COCc1cccnn1 55e2a9de064367339c83d600635b1a74 [0,1,1,0,0,0|2,0,0]=4 1364 B13R1.28 CC/C=C\COCc1cncnc1 ae8facf0dedefcd21ac1ce750f42977b [0,1,1,0,0,0|2,0,0]=4 1365 B13R1.28 CC=CCNCCc1ccccc1 2ec03ba54d73acb5a097cf711f5d1973 [0,1,1,0,0,0|1,0,0]=3 1366 B13R1.28 CC=CCNCCc1ccccn1 2aa13c02c66b09e04668b49945c3a9e9 [0,1,1,0,0,0|2,0,0]=4 1367 B13R1.28 CC=CCNCCc1cccnc1 383270a82750f887f99f21516c716a83 [0,1,1,0,0,0|0,0,0]=2 1368 B13R1.28 CC=CCNCCc1ccncc1 a702c5a115935d8b00ce2155d0a5bdc9 [0,1,1,0,0,0|2,0,0]=4 1369 B13R1.28 CC=CCNCSc1ccccc1 156e5939da48c41356aeb466d6c6f516 [0,1,1,0,0,0|1,0,0]=3 1370 B13R1.28 CC=CCOCCc1ccccc1 8d796ae46c7648e0096c050736554725 [0,1,1,0,0,0|2,0,0]=4 1371 B13R1.28 CC=CCOCCc1cccnc1 d8ac376f8cf92e8e26f3150dabaf6e7e [0,1,1,0,0,0|1,0,0]=3 1372 B13R1.28 CC=CCOCSc1ccccc1 be327c95ec54e2fa4d2e25743a24ef39 [0,1,1,0,0,0|2,0,0]=4 1373 B13R1.28 CCC/C=C/CNc1cccnc1 0fce4a0e330781df2736db78cce2d9c7 [0,1,1,0,0,0|2,0,0]=4 1374 B13R1.28 CCC/C=C/COc1cccnc1 1bda6059052ace6eda681af13a9ee9d0 [0,1,1,0,0,0|2,0,0]=4 1375 B13R1.28 CCC/C=C\CNc1cccnc1 e423db1682a8a873d6fa80cac7b1bd7d [0,1,1,0,0,0|2,0,0]=4 1376 B13R1.28 CCC/C=C\COc1cccnc1 99df350a4ca8b11111a91307bd5474ee [0,1,1,0,0,0|2,0,0]=4 1377 B13R1.28 CCCCCNCc1cccnc1 d2c766da9f03582c9a771ea0eff25d00 [0,1,1,0,0,0|0,0,2]=4 1378 B13R1.28 CCCCNCCc1cccnc1 458045a7155983806741ceffb93e3916 [0,1,1,0,0,0|0,0,2]=4 1379 B13R1.28 CCOCCNCc1cccnc1 e23c145ef5046d685fce449a7f480c4f [0,1,1,0,0,0|0,0,2]=4 1380 B13R1.28 CCOCNCCc1cccnc1 790e844119a59419fe92858e542f77fc [0,1,1,0,0,0|1,0,1]=4 1381 B13R1.28 CCSCCNCc1cccnc1 d4beafb5a171447468ec0b41fe2ced5c [0,1,1,0,0,0|0,0,2]=4 1382 B13R1.28 COCCCNCc1cccnc1 4d5ae86127e62c7f3973777acb4c82a9 [0,1,1,0,0,0|0,0,2]=4 1383 B13R1.28 COCCNCCc1cccnc1 b72f4f5b9a0e47b0f79d0057c209e043 [0,1,1,0,0,0|1,0,1]=4 1384 B13R1.28 CSCCCNCc1cccnc1 bb0ea981d0a9659b0957ad40f0c3977f [0,1,1,0,0,0|0,0,2]=4 1385 B13R1.28 CSCCNCCc1cccnc1 9149cbf55fe87277e4d3b746b1d36fb8 [0,1,1,0,0,0|1,0,1]=4 1386 B13R1.28 Cl/C=C/CNCCc1ccccc1 b1d5bd8978f7efe4e3d0739b21d63c61 [0,1,1,0,0,0|2,0,0]=4 1387 B13R1.28 Cl/C=C/CNCCc1cccnc1 d6c9beed5764af8040aaa92770afeabd [0,1,1,0,0,0|1,0,0]=3 1388 B13R1.28 Cl/C=C/CNCCc1cnccn1 0d01404c30e7588e60d4654243757ce6 [0,1,1,0,0,0|2,0,0]=4 1389 B13R1.28 Cl/C=C/COCCc1cccnc1 978572c52404459fe24ac2e9de0649c6 [0,1,1,0,0,0|2,0,0]=4 1390 B13R1.28 Cl/C=C\CNCCc1ccccc1 0d4def67da5feb1d4ade31cee20e974b [0,1,1,0,0,0|2,0,0]=4 1391 B13R1.28 Cl/C=C\CNCCc1cccnc1 18788d6bb9e198b22a7d85b2674cb331 [0,1,1,0,0,0|1,0,0]=3 1392 B13R1.28 Cl/C=C\CNCCc1cnccn1 941a94f50b738d9029708170adcef837 [0,1,1,0,0,0|2,0,0]=4 1393 B13R1.28 Cl/C=C\COCCc1cccnc1 ed54cd07e0552a6c183a5a28b46320b9 [0,1,1,0,0,0|2,0,0]=4 1394 B13R1.28 ClC=CCOCCc1cccnc1 48ee06d6220c4fed12a3d6feb95cdb2e [0,1,1,0,0,0|2,0,0]=4 1395 B13R1.28 ClCCCCNCc1cccnc1 6822df730815d2e0b47e7e84d134c3f0 [0,1,1,0,0,0|0,0,2]=4 1396 B13R1.28 FCCCCNCc1cccnc1 f514f5375c5b10ab43613568d5c6d5dd [0,1,1,0,0,0|0,0,2]=4 1397 B13R1.28 N#CC=CCNCc1ccccc1 1e1e088475ed0b9560cefa947b349b4e [0,1,1,0,0,0|1,0,1]=4 1398 B13R1.28 N#CC=CCNCc1cccnc1 74f31e20668202e6fdc64d277bf7653f [0,1,1,0,0,0|0,0,1]=3 1399 B13R1.28 N#CC=CCNCc1cccnn1 b958c173579304a9e60f11380a71baab [0,1,1,0,0,0|1,0,1]=4 1400 B13R1.28 N#CC=CCNCc1ccnnc1 537b54d4d9d11106f92a38b3b70b931a [0,1,1,0,0,0|1,0,1]=4 1401 B13R1.28 N#CC=CCNCc1cnccn1 017f845016ca16456f7ae32f581f8ce8 [0,1,1,0,0,0|1,0,1]=4 1402 B13R1.28 N#CC=CCNCc1cncnc1 645f8539c782c2780e550c8735329b64 [0,1,1,0,0,0|1,0,1]=4 1403 B13R1.28 N#CC=CCOCc1cccnc1 6f214dde5dead9a6b6e6e5f6f3b5037a [0,1,1,0,0,0|0,0,2]=4 1404 B13R1.28 NOCCNCCc1cccnc1 75648b76fb46c5c1fd2b90539fad9b69 [0,1,1,0,0,0|1,0,1]=4 1405 B13R1.28 O/C=C\CNCCc1ccccc1 f14d3de74793ec0364a847d484823de1 [0,1,1,0,0,0|2,0,0]=4 1406 B13R1.28 O/C=C\CNCCc1cccnc1 958e48bf83f44798c433f984a0c39b11 [0,1,1,0,0,0|1,0,0]=3 1407 B13R1.28 O/C=C\CNCCc1cnccn1 606ea6ac3ba9ba02d6304ab39428fa72 [0,1,1,0,0,0|2,0,0]=4 1408 B13R1.28 O=C/C=C/COCc1cccnc1 792dff7be338d34c1a72e4d58f3f4d2b [0,1,1,0,0,0|1,0,1]=4 1409 B13R1.28 O=CCCCNCc1cccnc1 1e3dbb2217661d2f0bdb9b7ca0299a6b [0,1,1,0,0,0|1,0,1]=4 1410 B13R1.28 O=CCCNCCc1cccnc1 5bb4efe293b342fd97515d2082f1c137 [0,1,1,0,0,0|1,0,1]=4 1411 B13R1.28 OCC#CCNCc1cccnc1 2217b87b02bcc6e41ba4ed0d8d85877c [0,1,1,0,0,0|0,0,2]=4 1412 B13R1.28 OCCCCNCc1cccnc1 d0741d88702d1bf891f8c5040bd23ad5 [0,1,1,0,0,0|0,0,2]=4 1413 B13R1.28 SCCCCNCc1cccnc1 71e306c22a57f5a1fa1365588b7a4f8e [0,1,1,0,0,0|0,0,2]=4 1414 B13R1.42 C/C=C/C(=O)NCc1ccccc1 4d51e0361b05c8ca152e6c21845fe5c1 [0,1,1,0,0,0|1,0,1]=4 1415 B13R1.42 C/C=C/C(=O)NCc1cccnc1 a68a54efbf5bc2a0202fd3b15afaa1d2 [0,1,1,0,0,0|0,0,1]=3 1416 B13R1.42 C/C=C/C(=O)NCc1cccnn1 3b0b99cb984ee783fbc7b4b2b969a48a [0,1,1,0,0,0|1,0,1]=4 1417 B13R1.42 C/C=C/C(=O)NCc1ccnnc1 58fa6f5116ed907d71a3e2990497a5b6 [0,1,1,0,0,0|1,0,1]=4 1418 B13R1.42 C/C=C/C(=O)NCc1cnccn1 0d9f4f30cfd11cba258e51ca29386103 [0,1,1,0,0,0|1,0,1]=4 1419 B13R1.42 C/C=C/C(=O)NCc1cncnc1 4ab7e0e9740c4b84029cbced60d85270 [0,1,1,0,0,0|1,0,1]=4 1420 B13R1.42 C/C=C/C(C)OCc1ccccc1 c0df3343d05cb0346b99d6dc75eec6e2 [0,1,1,0,0,0|2,0,0]=4 1421 B13R1.42 C/C=C/C(C)OCc1cccnc1 804280bfdd100a601e8fde52a9c472f6 [0,1,1,0,0,0|1,0,0]=3 1422 B13R1.42 C/C=C/C(C)OCc1cccnn1 a5b476d28c92377e46208d09d8d48226 [0,1,1,0,0,0|2,0,0]=4 1423 B13R1.42 C/C=C/C(C)OCc1cncnc1 65a1dc3f0a5696a45eefec0b30ae0b81 [0,1,1,0,0,0|2,0,0]=4 1424 B13R1.42 CC=CC(C)OCc1ccccc1 ea94e54106856a108ec09f1a3f6b9d4e [0,1,1,0,0,0|2,0,0]=4 1425 B13R1.42 CC=CC(C)OCc1cccnc1 579be0cc6fbe194cbab3a7810df9e98a [0,1,1,0,0,0|1,0,0]=3 1426 B13R1.42 CC=CC(C)OCc1cccnn1 32dc0fb1e14ac04a284caf67942de74a [0,1,1,0,0,0|2,0,0]=4 1427 B13R1.42 CC=CC(C)OCc1cncnc1 26d05c854c14fbcd4003410d5100d76a [0,1,1,0,0,0|2,0,0]=4 1428 B13R1.42 CCCC(C)NCc1cccnc1 119fbc39c8ee510532f331d1355a189c [0,1,1,0,0,0|0,0,2]=4 1429 B13R1.42 CCC[C@H](C)NCc1cccnc1 76a990dd3013ec74d3737eb136989fe2 [0,1,1,0,0,0|0,0,2]=4 1430 B13R1.42 COCC(C)NCc1cccnc1 ec1595a50fb8d97857af4416ceeb6e32 [0,1,1,0,0,0|1,0,1]=4 1431 B13R1.42 COC[C@@H](C)NCc1cccnc1 7cd7e1fa782a8882a54f4e01f7ca6915 [0,1,1,0,0,0|1,0,1]=4 1432 B13R1.42 COC[C@H](C)NCc1cccnc1 baa3905acf3e4c2e3349708966637e04 [0,1,1,0,0,0|1,0,1]=4 1433 B13R1.42 O=C(/C=C/Br)NCc1cccnc1 fcad588aebe112e58b34fda4acb65895 [0,1,1,0,0,0|1,0,1]=4 1434 B13R1.42 O=C(/C=C/Cl)NCc1cccnc1 a1a090b793365a434beca28029a65a50 [0,1,1,0,0,0|1,0,1]=4 1435 B13R1.42 O=C(/C=C/I)NCc1cccnc1 cc5673664042ac540adb42b42d25296c [0,1,1,0,0,0|1,0,1]=4 1436 B13R1.42 O=C(/C=C\Br)NCc1cccnc1 3b9d488201cd6f59fa45510771e93145 [0,1,1,0,0,0|1,0,1]=4 1437 B13R1.42 O=C(/C=C\Cl)NCc1cccnc1 6fe291395123ff655c68b48b22a1a0a3 [0,1,1,0,0,0|1,0,1]=4 1438 B13R1.42 O=C(/C=C\I)NCc1cccnc1 9c6a2863017897a32b8046a62e485974 [0,1,1,0,0,0|1,0,1]=4 1439 B13R1.42 O=C(C=CBr)NCc1cccnc1 5b6f3aedfb8b392ca5980ab247c11e46 [0,1,1,0,0,0|1,0,1]=4 1440 B13R1.42 O=C(C=CI)NCc1cccnc1 29fd238e7bf24d5720f7ff205af9fcd6 [0,1,1,0,0,0|1,0,1]=4 1441 B13R1.44 C/C=C/CC(=O)Nc1cccnc1 2f34acbd7f36be8510ff0f1342eecd31 [0,1,1,0,0,0|2,0,0]=4 1442 B13R1.44 C/C=C/CN(C)Cc1ccccc1 e996a16ad08a08f9ef86ea2f4765f551 [0,1,1,0,0,0|1,0,0]=3 1443 B13R1.44 C/C=C/CN(C)Cc1ccccn1 4dabbaeb8ab23d3b94d5102b2c57d6aa [0,1,1,0,0,0|2,0,0]=4 1444 B13R1.44 C/C=C/CN(C)Cc1cccnc1 73c6a8db588fecfd273424c5f00d16b0 [0,1,1,0,0,0|0,0,0]=2 1445 B13R1.44 C/C=C/CN(C)Cc1ccncc1 f562e4c29ac4f76da30d4f272759f34d [0,1,1,0,0,0|2,0,0]=4 1446 B13R1.44 C/C=C/CN(C)Cc1ccnnc1 9849928578e979e9a5c18a0db7dcf084 [0,1,1,0,0,0|1,0,0]=3 1447 B13R1.44 C/C=C/CN(C)Cc1cnccn1 e376b56fcbd1970af2b622467d816a93 [0,1,1,0,0,0|1,0,0]=3 1448 B13R1.44 C/C=C/CN(C)Cc1cncnc1 9589a8b4ed5a1f2c6acba1f54c45dad4 [0,1,1,0,0,0|1,0,0]=3 1449 B13R1.44 C/C=C\CN(C)Cc1ccccc1 79393ac43d58ebe2318daf989319aca0 [0,1,1,0,0,0|1,0,0]=3 1450 B13R1.44 C/C=C\CN(C)Cc1ccccn1 661fb9b3d7b906d09103a8fab852bc0c [0,1,1,0,0,0|2,0,0]=4 1451 B13R1.44 C/C=C\CN(C)Cc1cccnc1 b575906fffc1f41ac79c9078738051d1 [0,1,1,0,0,0|0,0,0]=2 1452 B13R1.44 C/C=C\CN(C)Cc1ccncc1 8cc8b26494c1d96f2809c62c719a23c0 [0,1,1,0,0,0|2,0,0]=4 1453 B13R1.44 C/C=C\CN(C)Cc1ccnnc1 4a7b1dd5d37b950247eadff91971fe8f [0,1,1,0,0,0|1,0,0]=3 1454 B13R1.44 C/C=C\CN(C)Cc1cnccn1 c3dfca11fb939f933079715986beac6b [0,1,1,0,0,0|1,0,0]=3 1455 B13R1.44 C/C=C\CN(C)Cc1cncnc1 f3d12fe82602b5877e8ede9a007c8ffe [0,1,1,0,0,0|1,0,0]=3 1456 B13R1.44 C=CCCN(C)Cc1cccnc1 dc738b2debeddceb0d5067902e34b9cd [0,1,1,0,0,0|0,0,2]=4 1457 B13R1.44 CCCCN(C)Cc1cccnc1 61867893599d95943a29f7de84ac1e10 [0,1,1,0,0,0|0,0,2]=4 1458 B13R1.44 CCOCN(C)Cc1cccnc1 20603903a855c9b2485f31f0f5560643 [0,1,1,0,0,0|1,0,1]=4 1459 B13R1.44 CN(C/C=C/Cl)Cc1ccccc1 fbc6e82402b5b0a0846f322e5481f3bb [0,1,1,0,0,0|2,0,0]=4 1460 B13R1.44 CN(C/C=C/Cl)Cc1cccnc1 fc400796a99bf9afbda44b15bf60a95e [0,1,1,0,0,0|1,0,0]=3 1461 B13R1.44 CN(C/C=C/Cl)Cc1ccnnc1 7746af40262604ba4b319f4a3b3a54f6 [0,1,1,0,0,0|2,0,0]=4 1462 B13R1.44 CN(C/C=C/Cl)Cc1cnccn1 2a7536235e1b6def2be440a484156648 [0,1,1,0,0,0|2,0,0]=4 1463 B13R1.44 CN(C/C=C/Cl)Cc1cncnc1 e3ec3aa1b500f992331691325eb58cea [0,1,1,0,0,0|2,0,0]=4 1464 B13R1.44 CN(C/C=C\Cl)Cc1ccccc1 e709e42900ea1ecdf66349242d02f482 [0,1,1,0,0,0|2,0,0]=4 1465 B13R1.44 CN(C/C=C\Cl)Cc1cccnc1 7c7fb72a1e3006a77f6864ee51b2bb6e [0,1,1,0,0,0|1,0,0]=3 1466 B13R1.44 CN(C/C=C\Cl)Cc1ccnnc1 f0e12cddf6c6e3965fc15a9e1a056c3a [0,1,1,0,0,0|2,0,0]=4 1467 B13R1.44 CN(C/C=C\Cl)Cc1cnccn1 e1d2506ea5f90c64e484e1ef446fa2e9 [0,1,1,0,0,0|2,0,0]=4 1468 B13R1.44 CN(C/C=C\Cl)Cc1cncnc1 fb47b3ed5aff8721910a23458278b034 [0,1,1,0,0,0|2,0,0]=4 1469 B13R1.44 CN(C/C=C\O)Cc1ccccc1 44363b8aff0716a7bb328a880d1730ee [0,1,1,0,0,0|2,0,0]=4 1470 B13R1.44 CN(C/C=C\O)Cc1cccnc1 9da760157c58a58a2179b447024ed26f [0,1,1,0,0,0|1,0,0]=3 1471 B13R1.44 CN(C/C=C\O)Cc1ccnnc1 3d728c01e89ca33d8800361859c27ea1 [0,1,1,0,0,0|2,0,0]=4 1472 B13R1.44 CN(C/C=C\O)Cc1cnccn1 d4442915149b70a3d38f3f29317a553d [0,1,1,0,0,0|2,0,0]=4 1473 B13R1.44 CN(C/C=C\O)Cc1cncnc1 01d5ebb29e6e5407d9a0fcc1876472d7 [0,1,1,0,0,0|2,0,0]=4 1474 B13R1.44 CN(CCC=O)Cc1cccnc1 ed872bc6cc6d3d0fa7c0417c094cec0c [0,1,1,0,0,0|1,0,1]=4 1475 B13R1.44 COCCN(C)Cc1cccnc1 ddd6c5bf4c0ce79ee91a62e0beb306f8 [0,1,1,0,0,0|1,0,1]=4 1476 B13R1.44 CSCCN(C)Cc1cccnc1 ae60fefb23c16c9fbcdf385c776eb935 [0,1,1,0,0,0|1,0,1]=4 1477 B13R1.337 C/C(=C/CNCc1ccccc1)/I 46810acf132f78a6b99690cdf4b9aca2 [0,1,1,0,0,0|1,0,0]=3 1478 B13R1.337 C/C(=C/CNCc1ccccn1)/I f1d1c5f391454702bc301120abcbf8a7 [0,1,1,0,0,0|2,0,0]=4 1479 B13R1.337 C/C(=C/CNCc1cccnc1)/I 4f09ed49dc89f74c80106937dc6cf0fd [0,1,1,0,0,0|0,0,0]=2 1480 B13R1.337 C/C(=C/CNCc1cccnn1)/I f27ae56ad26beb5826fd1657fa86525a [0,1,1,0,0,0|1,0,0]=3 1481 B13R1.337 C/C(=C/CNCc1ccncc1)/I 3bbea08c33edcfd97049a5e2f29979da [0,1,1,0,0,0|2,0,0]=4 1482 B13R1.337 C/C(=C/CNCc1ccnnc1)/I c9711ca36f2d520f1ace8d5913a4d651 [0,1,1,0,0,0|1,0,0]=3 1483 B13R1.337 C/C(=C/CNCc1cnccn1)/I e9911e36f14ba91bc4e65535eacf4e9a [0,1,1,0,0,0|1,0,0]=3 1484 B13R1.337 C/C(=C/CNCc1cncnc1)/I a289eb79df216095b11ee71fb3b92423 [0,1,1,0,0,0|1,0,0]=3 1485 B13R1.337 C/C(=C/COCc1ccccc1)/Cl 1a6bd15a40cefe46357eafce25c63e80 [0,1,1,0,0,0|2,0,0]=4 1486 B13R1.337 C/C(=C/COCc1ccccc1)/I 4877cf473278110790d2bac7cf778df9 [0,1,1,0,0,0|2,0,0]=4 1487 B13R1.337 C/C(=C/COCc1cccnc1)/Cl 4ae4be817cb4e8f95cd19ce953fe67b3 [0,1,1,0,0,0|1,0,0]=3 1488 B13R1.337 C/C(=C/COCc1cccnc1)/I 8e8f848b53dab03623e7a21378221675 [0,1,1,0,0,0|1,0,0]=3 1489 B13R1.337 C/C(=C/COCc1cccnn1)/Cl 4c531f6459f2b3a6b65c6f5f2be7632a [0,1,1,0,0,0|2,0,0]=4 1490 B13R1.337 C/C(=C/COCc1cccnn1)/I 916849495373bcd1773f5921bc2c04ec [0,1,1,0,0,0|2,0,0]=4 1491 B13R1.337 C/C(=C/COCc1ccnnc1)/I 116301c2f6d7154d507bae9dce9d176d [0,1,1,0,0,0|2,0,0]=4 1492 B13R1.337 C/C(=C/COCc1cnccn1)/I c91b2fe3c58b41beec318f2690430089 [0,1,1,0,0,0|2,0,0]=4 1493 B13R1.337 C/C(=C/COCc1cncnc1)/Cl 7f1ec6131594f9dbee286d290ac4c4b0 [0,1,1,0,0,0|2,0,0]=4 1494 B13R1.337 C/C(=C/COCc1cncnc1)/I 12b7377f12d1c27202e2563edb812de3 [0,1,1,0,0,0|2,0,0]=4 1495 B13R1.337 C/C(=C\CNCc1ccccc1)/Cl 50af1b098fb1d8d04ecd2187bab1bbbe [0,1,1,0,0,0|1,0,0]=3 1496 B13R1.337 C/C(=C\CNCc1ccccn1)/Cl d1af7aded0192998fcf89598920d2ab3 [0,1,1,0,0,0|2,0,0]=4 1497 B13R1.337 C/C(=C\CNCc1cccnc1)/Cl 3bc957c5902afd84fc7fedf87f62a076 [0,1,1,0,0,0|0,0,0]=2 1498 B13R1.337 C/C(=C\CNCc1cccnn1)/Cl 9b451eb6baf2ba2d83b4b195af85935e [0,1,1,0,0,0|1,0,0]=3 1499 B13R1.337 C/C(=C\CNCc1ccncc1)/Cl 79192fbd0a3087c768ab4a79db114244 [0,1,1,0,0,0|2,0,0]=4 1500 B13R1.337 C/C(=C\CNCc1ccnnc1)/Cl 2a0fbbdf40d743180f2ed6d949572dff [0,1,1,0,0,0|1,0,0]=3 1501 B13R1.337 C/C(=C\CNCc1cnccn1)/Cl b60b0f72754e2fc5a5e1953ab67e1ad8 [0,1,1,0,0,0|1,0,0]=3 1502 B13R1.337 C/C(=C\CNCc1cncnc1)/Cl 69cd7332ce9ae51c2760bcb9ea0260cd [0,1,1,0,0,0|1,0,0]=3 1503 B13R1.337 C/C(=C\COCc1ccccc1)/Cl 26d23693cfbe09ff19e73efb558a1108 [0,1,1,0,0,0|2,0,0]=4 1504 B13R1.337 C/C(=C\COCc1cccnc1)/Cl 9e152d59b06a2f751e32fc93e71944ff [0,1,1,0,0,0|1,0,0]=3 1505 B13R1.337 C/C(=C\COCc1cccnn1)/Cl 16e6f4521db2c782182e277512e1af05 [0,1,1,0,0,0|2,0,0]=4 1506 B13R1.337 C/C(=C\COCc1ccnnc1)/Cl 9d8ce51115587dc335463f66602c627c [0,1,1,0,0,0|2,0,0]=4 1507 B13R1.337 C/C(=C\COCc1cnccn1)/Cl 17f8a68be3ff53412861a2176e9a89cd [0,1,1,0,0,0|2,0,0]=4 1508 B13R1.337 C/C(=C\COCc1cncnc1)/Cl 09afbe47fded80fc85a3c28eb8454271 [0,1,1,0,0,0|2,0,0]=4 1509 B13R1.337 C=C(C)CCNCc1ccccc1 245d7e932f268ca289e225d2bf588b51 [0,1,1,0,0,0|1,0,1]=4 1510 B13R1.337 C=C(C)CCNCc1cccnc1 bdd1c5d75cd6ba1091d74cf045e7072c [0,1,1,0,0,0|0,0,1]=3 1511 B13R1.337 C=C(C)CCNCc1cccnn1 fa879f5aeaf6aed7b516319709c33bee [0,1,1,0,0,0|1,0,1]=4 1512 B13R1.337 C=C(C)CCNCc1ccnnc1 77823a75ffc5d0220b37743a0b3dddd1 [0,1,1,0,0,0|1,0,1]=4 1513 B13R1.337 C=C(C)CCNCc1cnccn1 8626bb0dbfe61fdb781d7a04b046a4d1 [0,1,1,0,0,0|1,0,1]=4 1514 B13R1.337 C=C(C)CCNCc1cncnc1 525d89b0086caa8bdeba266087454501 [0,1,1,0,0,0|1,0,1]=4 1515 B13R1.337 C=C(C)CCOCc1cccnc1 0bfaf7df4e3d6751b77fb5bffd588d05 [0,1,1,0,0,0|1,0,1]=4 1516 B13R1.337 CC(=CCCNc1cccnc1)C 480a5845bd2dcbda887ad52fb655932a [0,1,1,0,0,0|2,0,0]=4 1517 B13R1.337 CC(=CCCOc1cccnc1)C 4cb55fb6df2f78669033255ec685c262 [0,1,1,0,0,0|2,0,0]=4 1518 B13R1.337 CC(=CCNCc1ccccc1)C 63d1470bd86ce9bb4e85b2dccb67d6e9 [0,1,1,0,0,0|1,0,0]=3 1519 B13R1.337 CC(=CCNCc1ccccc1)Cl 5006e93fa40b0cf37049bbe9c45b12d5 [0,1,1,0,0,0|1,0,0]=3 1520 B13R1.337 CC(=CCNCc1ccccc1)I 79603e80e1ae5d2285f52273b853c715 [0,1,1,0,0,0|1,0,0]=3 1521 B13R1.337 CC(=CCNCc1ccccn1)C a6c425c4b7745b83cbcc7e5b1748fb04 [0,1,1,0,0,0|2,0,0]=4 1522 B13R1.337 CC(=CCNCc1ccccn1)Cl 83bffc81e98040ca4a69f9cfaf42e58e [0,1,1,0,0,0|2,0,0]=4 1523 B13R1.337 CC(=CCNCc1ccccn1)I b9b835517aa0baa981d7dc4ac4409118 [0,1,1,0,0,0|2,0,0]=4 1524 B13R1.337 CC(=CCNCc1cccnc1)C bfe6c9aae41ed226ba80c46a2620c75b [0,1,1,0,0,0|0,0,0]=2 1525 B13R1.337 CC(=CCNCc1cccnc1)Cl f11f2958659a74d2a90cd35c1d1ae380 [0,1,1,0,0,0|0,0,0]=2 1526 B13R1.337 CC(=CCNCc1cccnc1)I 54a646f83b1a4db28e61bc37a4a94860 [0,1,1,0,0,0|0,0,0]=2 1527 B13R1.337 CC(=CCNCc1cccnn1)C edd9e4d989183a2894f6df2e381db7f7 [0,1,1,0,0,0|1,0,0]=3 1528 B13R1.337 CC(=CCNCc1cccnn1)Cl c4e7de0d796f7fb7dc9108bf203ff88f [0,1,1,0,0,0|1,0,0]=3 1529 B13R1.337 CC(=CCNCc1cccnn1)I 299518c2747ebb8d381f666818161150 [0,1,1,0,0,0|1,0,0]=3 1530 B13R1.337 CC(=CCNCc1ccncc1)C 5b85573a66f81a9af8a2bfab9f66a1a1 [0,1,1,0,0,0|2,0,0]=4 1531 B13R1.337 CC(=CCNCc1ccncc1)Cl de511d86907d40d376e3d679fdef2da7 [0,1,1,0,0,0|2,0,0]=4 1532 B13R1.337 CC(=CCNCc1ccncc1)I b11cb7302f00491f91679198b9d3b90d [0,1,1,0,0,0|2,0,0]=4 1533 B13R1.337 CC(=CCNCc1ccnnc1)C dbb53548d18d6ee2d1a13a67aa9ed7f3 [0,1,1,0,0,0|1,0,0]=3 1534 B13R1.337 CC(=CCNCc1ccnnc1)Cl 79d2bdd53fc66e943f0a31ac739c2df5 [0,1,1,0,0,0|1,0,0]=3 1535 B13R1.337 CC(=CCNCc1ccnnc1)I 3c2e7bd609b9562554c67cc6e708e337 [0,1,1,0,0,0|1,0,0]=3 1536 B13R1.337 CC(=CCNCc1cnccn1)C 149a724ebfab4df52553975880dd8c4f [0,1,1,0,0,0|1,0,0]=3 1537 B13R1.337 CC(=CCNCc1cnccn1)Cl e32b9534bccefd7448f004083a2817f2 [0,1,1,0,0,0|1,0,0]=3 1538 B13R1.337 CC(=CCNCc1cnccn1)I 1d5e21194ae10327da1aa0cc8d249de4 [0,1,1,0,0,0|1,0,0]=3 1539 B13R1.337 CC(=CCNCc1cncnc1)C 2460d4e985b02321b149588bb95e70ff [0,1,1,0,0,0|1,0,0]=3 1540 B13R1.337 CC(=CCNCc1cncnc1)Cl 631aa5abcae896a5a6447aad54402402 [0,1,1,0,0,0|1,0,0]=3 1541 B13R1.337 CC(=CCNCc1cncnc1)I 8e9469f63a4d8fa48f380a3b0f3af644 [0,1,1,0,0,0|1,0,0]=3 1542 B13R1.337 CC(=CCOCc1ccccc1)C dc5428f5af33b602923aed19bb2b52fd [0,1,1,0,0,0|2,0,0]=4 1543 B13R1.337 CC(=CCOCc1ccccc1)Cl 12d7f2ab27601656c26938bb43705bd3 [0,1,1,0,0,0|2,0,0]=4 1544 B13R1.337 CC(=CCOCc1ccccc1)I 9085b09f13322162d51c643bfa4b38d8 [0,1,1,0,0,0|2,0,0]=4 1545 B13R1.337 CC(=CCOCc1cccnc1)C c0c151c070554643f8e52087659cb695 [0,1,1,0,0,0|1,0,0]=3 1546 B13R1.337 CC(=CCOCc1cccnc1)Cl 8709e40f70c0f20466654a728699d2a0 [0,1,1,0,0,0|1,0,0]=3 1547 B13R1.337 CC(=CCOCc1cccnc1)I bc4047b3b9c231856f13ec6ac359ee1f [0,1,1,0,0,0|1,0,0]=3 1548 B13R1.337 CC(=CCOCc1cccnn1)C ffc9ec143b6c98ca657bcc7e4afc4d44 [0,1,1,0,0,0|2,0,0]=4 1549 B13R1.337 CC(=CCOCc1cccnn1)Cl 907ac3a0d04ff7b463c0236ff8d4fdd2 [0,1,1,0,0,0|2,0,0]=4 1550 B13R1.337 CC(=CCOCc1cccnn1)I 2407db7dfb2fa5b7133be64f7ac51406 [0,1,1,0,0,0|2,0,0]=4 1551 B13R1.337 CC(=CCOCc1ccnnc1)C 686d8f96cb3e211e128d7f5bdd666f18 [0,1,1,0,0,0|2,0,0]=4 1552 B13R1.337 CC(=CCOCc1ccnnc1)Cl 43a9ed59cb539a1140103e03ba33a390 [0,1,1,0,0,0|2,0,0]=4 1553 B13R1.337 CC(=CCOCc1ccnnc1)I 98c095dc325424a6b74f16ddaa23c6a1 [0,1,1,0,0,0|2,0,0]=4 1554 B13R1.337 CC(=CCOCc1cnccn1)C a208c699735c512005fa99783b21188e [0,1,1,0,0,0|2,0,0]=4 1555 B13R1.337 CC(=CCOCc1cnccn1)Cl 48d7e0ee36ba9bf97b64699ad509580d [0,1,1,0,0,0|2,0,0]=4 1556 B13R1.337 CC(=CCOCc1cnccn1)I 242e383db2447b241a9ab5ffbbc48606 [0,1,1,0,0,0|2,0,0]=4 1557 B13R1.337 CC(=CCOCc1cncnc1)C c794513178da8ddb104b4cc0775b0dff [0,1,1,0,0,0|2,0,0]=4 1558 B13R1.337 CC(=CCOCc1cncnc1)Cl b95c36a3421e514ae77bf6be4cc490d2 [0,1,1,0,0,0|2,0,0]=4 1559 B13R1.337 CC(=CCOCc1cncnc1)I a2dc6c354655367cfcbfddaa9848f5b4 [0,1,1,0,0,0|2,0,0]=4 1560 B13R1.337 CC(=O)CCNCc1ccccc1 545f125e7fb7bd7de6143e9ac44bc8db [0,1,1,0,0,0|1,0,1]=4 1561 B13R1.337 CC(=O)CCNCc1cccnc1 0b35ad7bc1a13d5a7ac075baa9669822 [0,1,1,0,0,0|0,0,1]=3 1562 B13R1.337 CC(=O)CCNCc1cccnn1 61e6e75f2f0004e230ef76a3d8caeb89 [0,1,1,0,0,0|1,0,1]=4 1563 B13R1.337 CC(=O)CCNCc1ccnnc1 82f24251888f7bb25f1f4b2e7bf9d829 [0,1,1,0,0,0|1,0,1]=4 1564 B13R1.337 CC(=O)CCNCc1cnccn1 45f9f3ab4a61b6672dd65e22cc5514ec [0,1,1,0,0,0|1,0,1]=4 1565 B13R1.337 CC(=O)CCNCc1cncnc1 62cf9c16572171d24baeaab9cdd480c3 [0,1,1,0,0,0|1,0,1]=4 1566 B13R1.337 CC(=O)CCOCc1cccnc1 dd4457e56c42f37c43a3ffb9c7a09212 [0,1,1,0,0,0|1,0,1]=4 1567 B13R1.337 CC(=O)NCCCc1cccnc1 3bae424a78a6780dc7ec4fb1d07763d4 [0,1,1,0,0,0|2,0,0]=4 1568 B13R1.337 CC(=O)NCOCc1cccnc1 3c6afe3f10d57231f793007404e276a5 [0,1,1,0,0,0|2,0,0]=4 1569 B13R1.337 CC(=O)OCNCc1ccccc1 c2b51a2674b9598bf0d452eb18a9952b [0,1,1,0,0,0|2,0,0]=4 1570 B13R1.337 CC(=O)OCNCc1cccnc1 eb1d6947cc1b5459de7c5372a49a6e45 [0,1,1,0,0,0|1,0,0]=3 1571 B13R1.337 CC(=O)OCNCc1cccnn1 11d1f71e05af857519e0c71f8d3976ea [0,1,1,0,0,0|2,0,0]=4 1572 B13R1.337 CC(=O)OCNCc1ccnnc1 ec35891f6a61b328a6b5ddce5cfe512a [0,1,1,0,0,0|2,0,0]=4 1573 B13R1.337 CC(=O)OCNCc1cnccn1 b66584699301af86ce65c3f872ff3ddc [0,1,1,0,0,0|2,0,0]=4 1574 B13R1.337 CC(=O)OCNCc1cncnc1 88de0a3b4a20b01f1720681e839207af [0,1,1,0,0,0|2,0,0]=4 1575 B13R1.337 CC(=O)OCOCc1cccnc1 e02d5412e3dc67d0ea07c3851105d55b [0,1,1,0,0,0|2,0,0]=4 1576 B13R1.337 CC(C)/C=C/CNc1cccnc1 d14cc882c393686e779a0d4d1595ad76 [0,1,1,0,0,0|2,0,0]=4 1577 B13R1.337 CC(C)/C=C/COc1cccnc1 1c7e734c55e9f5e5b15e5764c397336a [0,1,1,0,0,0|2,0,0]=4 1578 B13R1.337 CC(C)CCNCc1cccnc1 efe87d76a5cef2c9c040362dd810c863 [0,1,1,0,0,0|0,0,2]=4 1579 B13R1.337 CC(C)OCNCc1cccnc1 4167a7523254f1fd6ac2f22ce2e93097 [0,1,1,0,0,0|1,0,1]=4 1580 B13R1.337 CC(O)CCNCc1cccnc1 b67c6453b0bd7c3134aa8790d323a7c0 [0,1,1,0,0,0|0,0,2]=4 1581 B13R1.337 CN(C)CCNCc1cccnc1 a48018540b1574fc22b4b6a1cec436ba [0,1,1,0,0,0|1,0,1]=4 1582 B13R1.337 CS(=O)CCNCc1cccnc1 ea5cb4200a4bb4d2370cc519f518a8ed [0,1,1,0,0,0|1,0,1]=4 1583 B13R1.337 C[C@@H](O)CCNCc1cccnc1 c159199acccb7a1c441cf22ff19a36b0 [0,1,1,0,0,0|0,0,2]=4 1584 B13R1.337 C[C@H](O)CCNCc1cccnc1 dae5c606c3c2e43d7ac0fe2eded2d19a [0,1,1,0,0,0|0,0,2]=4 1585 B13R1.337 ClC(=CCNCc1ccccc1)Cl 3f8637e5748ade6f77fdb2b4f3e6f511 [0,1,1,0,0,0|2,0,0]=4 1586 B13R1.337 ClC(=CCNCc1cccnc1)Cl de35b5e29eb6625debdfcc56325bacd2 [0,1,1,0,0,0|1,0,0]=3 1587 B13R1.337 ClC(=CCNCc1cccnn1)Cl 68afba0716caa5215d7d473950d5626a [0,1,1,0,0,0|2,0,0]=4 1588 B13R1.337 ClC(=CCNCc1ccnnc1)Cl cccba233d702b087a7df275c56d9886f [0,1,1,0,0,0|2,0,0]=4 1589 B13R1.337 ClC(=CCNCc1cnccn1)Cl dca49a002aa8b71111bf00216db30be1 [0,1,1,0,0,0|2,0,0]=4 1590 B13R1.337 ClC(=CCNCc1cncnc1)Cl 39578492105f628a83149b124c931e51 [0,1,1,0,0,0|2,0,0]=4 1591 B13R1.337 ClC(=CCOCc1cccnc1)Cl 586a3fa5933aeb48cb566bbc18bb7473 [0,1,1,0,0,0|2,0,0]=4 1592 B13R1.337 NC(=O)CCNCc1cccnc1 b1b61ba219851a2b682c6494adfe7603 [0,1,1,0,0,0|1,0,1]=4 1593 B13R1.337 NC(=O)SCNCc1cccnc1 735b4488651b16438eeb15c2d50fe2b9 [0,1,1,0,0,0|2,0,0]=4 1594 B13R1.337 NC(=S)CCNCc1cccnc1 f8206db7fc5bc67b13fe1ca6d17a3e50 [0,1,1,0,0,0|1,0,1]=4 1595 B13R1.337 O=C(O)CCNCc1cccnc1 5b0eec00630bb78305f0c830c790f6ed [0,1,1,0,0,0|1,0,1]=4 1596 B13R1.555 C/C=C/CNCc1cccc[n+]1[O-] deb80b8727b81cb94c080e5b3aeadde5 [0,1,1,0,0,0|2,0,0]=4 1597 B13R1.555 C/C=C/CNCc1ccccc1Br bcf8b77480c76ba1ac5dca08a0e04c92 [0,1,1,0,0,0|1,0,0]=3 1598 B13R1.555 C/C=C/CNCc1ccccc1C 96a3b3951bd541afd647abaed88f3179 [0,1,1,0,0,0|1,0,0]=3 1599 B13R1.555 C/C=C/CNCc1ccccc1Cl 2ba38e86be5adb33eb99592f52367133 [0,1,1,0,0,0|1,0,0]=3 1600 B13R1.555 C/C=C/CNCc1ccccc1F 38e0b4f7d8e8d85296d6c5dbe30e809c [0,1,1,0,0,0|1,0,0]=3 1601 B13R1.555 C/C=C/CNCc1ccccc1I 286eba6c98a876df339eeac8579fe22c [0,1,1,0,0,0|1,0,0]=3 1602 B13R1.555 C/C=C/CNCc1cccnc1Br 65ce209fbf74f5a3be994781b14cc793 [0,1,1,0,0,0|0,0,0]=2 1603 B13R1.555 C/C=C/CNCc1cccnc1C 5a7df217316bd81dd34c8428950104fe [0,1,1,0,0,0|0,0,0]=2 1604 B13R1.555 C/C=C/CNCc1cccnc1Cl 69c3729726d41142c95266baeaece37e [0,1,1,0,0,0|0,0,0]=2 1605 B13R1.555 C/C=C/CNCc1cccnc1F 5ecee0b2e19cc3617875faca60c76d75 [0,1,1,0,0,0|0,0,0]=2 1606 B13R1.555 C/C=C/CNCc1ccncc1Br 06fe3e53f9f71be35da6b020700e2af9 [0,1,1,0,0,0|2,0,0]=4 1607 B13R1.555 C/C=C/CNCc1ccncc1C add1c1ffe71d44321bcd02fa68bc151e [0,1,1,0,0,0|2,0,0]=4 1608 B13R1.555 C/C=C/CNCc1ccncc1Cl 86911218fdbae33c7df9c3097684b1fc [0,1,1,0,0,0|2,0,0]=4 1609 B13R1.555 C/C=C/CNCc1ccncc1F c5744e39475ac3fd983f68ab3f3bdd79 [0,1,1,0,0,0|2,0,0]=4 1610 B13R1.555 C/C=C/CNCc1cnccc1C ac933238af3ed7a348a61b2bbcf4e368 [0,1,1,0,0,0|0,0,0]=2 1611 B13R1.555 C/C=C/CNCc1ncccc1Br a8407b1e7b21993b14b3d6240b967d9e [0,1,1,0,0,0|2,0,0]=4 1612 B13R1.555 C/C=C/CNCc1ncccc1C 77abfb6afe0aa7d623778a1dc347388e [0,1,1,0,0,0|2,0,0]=4 1613 B13R1.555 C/C=C/CNCc1ncccc1Cl e2859d90cf7b10e1949fc3704e3d5374 [0,1,1,0,0,0|2,0,0]=4 1614 B13R1.555 C/C=C/CNCc1ncccc1F a8bba89d5243f37a20d5b9a360a2e1cb [0,1,1,0,0,0|2,0,0]=4 1615 B13R1.555 C/C=C/CNCc1nccnc1Cl 91a02202d6479b87c5d76838e589f608 [0,1,1,0,0,0|1,0,0]=3 1616 B13R1.555 C/C=C/CNCc1nnc[nH]c1=O 97184a56ff57f9d516f1cfc6dd1e9133 [0,1,1,0,0,0|2,0,0]=4 1617 B13R1.555 C/C=C/CNCc1nnccc1C a8946ee5842bb21c6596fe3aa6d3e2c7 [0,1,1,0,0,0|1,0,0]=3 1618 B13R1.555 C/C=C/COCc1ccc[nH]c1=O 6da37cd819b5ca16625446b0f3e2f75a [0,1,1,0,0,0|1,0,1]=4 1619 B13R1.555 C/C=C/COCc1ccccc1Br 6e4cd6ed85314b727a3f2f3da2d8cc7c [0,1,1,0,0,0|2,0,0]=4 1620 B13R1.555 C/C=C/COCc1ccccc1C 7422664054ff3ec9d6ed3b7db63722de [0,1,1,0,0,0|2,0,0]=4 1621 B13R1.555 C/C=C/COCc1ccccc1Cl 6497cc6ddd3e71334eead4a5db96b779 [0,1,1,0,0,0|2,0,0]=4 1622 B13R1.555 C/C=C/COCc1ccccc1F e764ba09166f8ae12f12aa899143ab4f [0,1,1,0,0,0|2,0,0]=4 1623 B13R1.555 C/C=C/COCc1ccccc1I ee0f7967557b2f64725d8fb330ff995d [0,1,1,0,0,0|2,0,0]=4 1624 B13R1.555 C/C=C/COCc1ccccc1S e74f8d77c22b1da97fdfbaf04649a851 [0,1,1,0,0,0|2,0,0]=4 1625 B13R1.555 C/C=C/COCc1cccnc1Br 30f49fa2a06f89e60ce5e3a2d2ce4d78 [0,1,1,0,0,0|1,0,0]=3 1626 B13R1.555 C/C=C/COCc1cccnc1C 8cdec445b7b4344a72e437eb7115869d [0,1,1,0,0,0|1,0,0]=3 1627 B13R1.555 C/C=C/COCc1cccnc1Cl 492a6b9a03bc4adb0d81d2bcbde682a7 [0,1,1,0,0,0|1,0,0]=3 1628 B13R1.555 C/C=C/COCc1cccnc1F f2ffb9b2beca837b54df1f8268242659 [0,1,1,0,0,0|1,0,0]=3 1629 B13R1.555 C/C=C/COCc1ccnnc1C 11f357ce2af66f5deca4e3b372adca66 [0,1,1,0,0,0|2,0,0]=4 1630 B13R1.555 C/C=C/COCc1cnccc1Br 2b63586b6a3b80f13a56998958f515f9 [0,1,1,0,0,0|1,0,0]=3 1631 B13R1.555 C/C=C/COCc1cnccc1C 7e373d403b8010a66afcf443b8e63c19 [0,1,1,0,0,0|1,0,0]=3 1632 B13R1.555 C/C=C/COCc1cnccc1Cl 4ca0f53b752a3f321e5804fc545b7e3d [0,1,1,0,0,0|1,0,0]=3 1633 B13R1.555 C/C=C/COCc1cnccc1F 7a71b9d768043881e6a73857dd3a0d60 [0,1,1,0,0,0|1,0,0]=3 1634 B13R1.555 C/C=C/COCc1cncnc1C 21a942cc8069c55256f1f0913fbea3e4 [0,1,1,0,0,0|2,0,0]=4 1635 B13R1.555 C/C=C/COCc1cncnc1Cl c4fb0758da695f63071b250eadb8cb16 [0,1,1,0,0,0|2,0,0]=4 1636 B13R1.555 C/C=C/COCc1cnncc1C 58ffa85dedc540a0991b485a5064e04e [0,1,1,0,0,0|2,0,0]=4 1637 B13R1.555 C/C=C/COCc1nccnc1C d94ae9669617c55f5a940bcee6ace65d [0,1,1,0,0,0|2,0,0]=4 1638 B13R1.555 C/C=C/COCc1nccnc1Cl eaa25fca85de77018fc8020709c3a096 [0,1,1,0,0,0|2,0,0]=4 1639 B13R1.555 C/C=C/COCc1nnccc1C 60634e497cad6a2e993591a26a1741f8 [0,1,1,0,0,0|2,0,0]=4 1640 B13R1.555 C/C=C\CNCc1cccc[n+]1[O-] 8488dc293fa480814a59bcbf49622ad0 [0,1,1,0,0,0|2,0,0]=4 1641 B13R1.555 C/C=C\CNCc1ccccc1Br 9cca4deb9100b5f0ea3433eaf0efd82c [0,1,1,0,0,0|1,0,0]=3 1642 B13R1.555 C/C=C\CNCc1ccccc1C ab6a2b8d4daa0bd2773bc65d87c1b4b5 [0,1,1,0,0,0|1,0,0]=3 1643 B13R1.555 C/C=C\CNCc1ccccc1Cl 3868fe7ad0dab7ea088cabb0dba84ad3 [0,1,1,0,0,0|1,0,0]=3 1644 B13R1.555 C/C=C\CNCc1ccccc1F 8f2eaac393c781ad024a4aa8c15667ae [0,1,1,0,0,0|1,0,0]=3 1645 B13R1.555 C/C=C\CNCc1ccccc1I 6cc32c275f19b8399a8d60eef19507fc [0,1,1,0,0,0|1,0,0]=3 1646 B13R1.555 C/C=C\CNCc1cccnc1Br 02a50c0b553d08b51037421c56b8d4ad [0,1,1,0,0,0|0,0,0]=2 1647 B13R1.555 C/C=C\CNCc1cccnc1C fe14cb8a27630928f2468572cb38bd4d [0,1,1,0,0,0|0,0,0]=2 1648 B13R1.555 C/C=C\CNCc1cccnc1Cl 347a3b285ec2220d26015ac76cf0dedf [0,1,1,0,0,0|0,0,0]=2 1649 B13R1.555 C/C=C\CNCc1cccnc1F 8a8fdaef9f8c7d0e0627fc16df90d805 [0,1,1,0,0,0|0,0,0]=2 1650 B13R1.555 C/C=C\CNCc1ccncc1Br 4c54b2250c10df28b94d99c7fc721cc0 [0,1,1,0,0,0|2,0,0]=4 1651 B13R1.555 C/C=C\CNCc1ccncc1C b14c1caec6cc25495830404e771e629e [0,1,1,0,0,0|2,0,0]=4 1652 B13R1.555 C/C=C\CNCc1ccncc1Cl 3b8b26776fd7cf917589ce7d8f77a358 [0,1,1,0,0,0|2,0,0]=4 1653 B13R1.555 C/C=C\CNCc1ccncc1F bfbf72ee15fe32b279461f49e61bcaab [0,1,1,0,0,0|2,0,0]=4 1654 B13R1.555 C/C=C\CNCc1cnccc1C 36449ff7aec5ac889b345a001ef63c1a [0,1,1,0,0,0|0,0,0]=2 1655 B13R1.555 C/C=C\CNCc1ncccc1Br d5a5be5ec66e1c34c80e81245820ddb6 [0,1,1,0,0,0|2,0,0]=4 1656 B13R1.555 C/C=C\CNCc1ncccc1C f9c9ac71462a9af8d2cfd7edaa7d3e77 [0,1,1,0,0,0|2,0,0]=4 1657 B13R1.555 C/C=C\CNCc1ncccc1Cl 341583dc0e9bd06631b6c39f2fcc5cb9 [0,1,1,0,0,0|2,0,0]=4 1658 B13R1.555 C/C=C\CNCc1ncccc1F 4ec264f17bbdfaf600018b0c72daa167 [0,1,1,0,0,0|2,0,0]=4 1659 B13R1.555 C/C=C\CNCc1nccnc1Cl 3437d919d88e8618239e702731b3e709 [0,1,1,0,0,0|1,0,0]=3 1660 B13R1.555 C/C=C\CNCc1nnc[nH]c1=O 73e9b9986e29f1a539724f6b8d62dbcc [0,1,1,0,0,0|2,0,0]=4 1661 B13R1.555 C/C=C\CNCc1nnccc1C 4c64472dd46d65e4e9b6c39021c126fb [0,1,1,0,0,0|1,0,0]=3 1662 B13R1.555 C/C=C\COCc1ccc[nH]c1=O d646414e3b88e43cdbc69ff1de5c139e [0,1,1,0,0,0|1,0,1]=4 1663 B13R1.555 C/C=C\COCc1ccccc1Br 4355a332b2d8c056e926a72da5ba0ce6 [0,1,1,0,0,0|2,0,0]=4 1664 B13R1.555 C/C=C\COCc1ccccc1C 838f904384dd902d8156113e01cf5695 [0,1,1,0,0,0|2,0,0]=4 1665 B13R1.555 C/C=C\COCc1ccccc1Cl a70f25b1c44654789b76830bd4646065 [0,1,1,0,0,0|2,0,0]=4 1666 B13R1.555 C/C=C\COCc1ccccc1F ac4f1a3788d5f9460f60995f3c115a19 [0,1,1,0,0,0|2,0,0]=4 1667 B13R1.555 C/C=C\COCc1ccccc1I 7e0026efe39724ad0394617ad4ced3d4 [0,1,1,0,0,0|2,0,0]=4 1668 B13R1.555 C/C=C\COCc1ccccc1S b0f1c8b4c82a2a715f8a3b65cd448a69 [0,1,1,0,0,0|2,0,0]=4 1669 B13R1.555 C/C=C\COCc1cccnc1Br 70c449f1c2bb418d1617390c5c830dc9 [0,1,1,0,0,0|1,0,0]=3 1670 B13R1.555 C/C=C\COCc1cccnc1C 4319a79e70ced69a1b835615cb641d01 [0,1,1,0,0,0|1,0,0]=3 1671 B13R1.555 C/C=C\COCc1cccnc1Cl 20237f358119389c032ce7b309f115be [0,1,1,0,0,0|1,0,0]=3 1672 B13R1.555 C/C=C\COCc1cccnc1F 2c3c5674da366fe53cc8c00f2bd0b13e [0,1,1,0,0,0|1,0,0]=3 1673 B13R1.555 C/C=C\COCc1ccnnc1C 6974de01db46f20b2595cf29ee5249e5 [0,1,1,0,0,0|2,0,0]=4 1674 B13R1.555 C/C=C\COCc1cnccc1Br e83ddae417121d40dfd636962729b2c1 [0,1,1,0,0,0|1,0,0]=3 1675 B13R1.555 C/C=C\COCc1cnccc1C dc1ceaebc05a141cf83af2019ca43f54 [0,1,1,0,0,0|1,0,0]=3 1676 B13R1.555 C/C=C\COCc1cnccc1Cl 2a64f82e6b436dc8c6fe69a8ebec6671 [0,1,1,0,0,0|1,0,0]=3 1677 B13R1.555 C/C=C\COCc1cnccc1F d57bd8f32e3436cfe4a26f3388432b20 [0,1,1,0,0,0|1,0,0]=3 1678 B13R1.555 C/C=C\COCc1cncnc1C 5446abd64fd1f0ad879dfe33b189bd47 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.555 C/C=C\COCc1cncnc1Cl 1eb0154c86caa01b3099edb707bb9e3b [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.555 C/C=C\COCc1cnncc1C f8402c1a8a0da78fde08fdda613bf83b [0,1,1,0,0,0|2,0,0]=4 1681 B13R1.555 C/C=C\COCc1nccnc1C 85c50e5daeea3ff047297dbdf72bf26a [0,1,1,0,0,0|2,0,0]=4 1682 B13R1.555 C/C=C\COCc1nccnc1Cl 852331beab35294f5d153b0337f20816 [0,1,1,0,0,0|2,0,0]=4 1683 B13R1.555 C/C=C\COCc1nnccc1C c76856822af7847a13c049112f5f503b [0,1,1,0,0,0|2,0,0]=4 1684 B13R1.555 C=CCCNCc1cccnc1Br d211c2b0bc3bc3ae17006640a1b0f86b [0,1,1,0,0,0|0,0,2]=4 1685 B13R1.555 C=CCCNCc1cccnc1C af096ebb6045b101d0849918d0e3fae8 [0,1,1,0,0,0|0,0,2]=4 1686 B13R1.555 C=CCCNCc1cccnc1Cl ddeb6302dc8a9eefdd7c523c244f9afd [0,1,1,0,0,0|0,0,2]=4 1687 B13R1.555 C=CCCNCc1cccnc1F 3e82db367ae868ae38dcc849a46aa09f [0,1,1,0,0,0|0,0,2]=4 1688 B13R1.555 C=CCCNCc1cnccc1C 9212ffdb8cf94262ff3ac32f0d777820 [0,1,1,0,0,0|0,0,2]=4 1689 B13R1.555 CC#CCNCc1cccnc1Br bd63d5905182497c552552a34b46b7ee [0,1,1,0,0,0|0,0,2]=4 1690 B13R1.555 CC#CCNCc1cccnc1C 68b117904a798c896a5bfdc6ea5b378a [0,1,1,0,0,0|0,0,2]=4 1691 B13R1.555 CC#CCNCc1cccnc1Cl d43d4ee60dac0d053f5abe57cd5153a3 [0,1,1,0,0,0|0,0,2]=4 1692 B13R1.555 CC#CCNCc1cccnc1F ad06b8ccbe9611faaeba2d443f1b58b5 [0,1,1,0,0,0|0,0,2]=4 1693 B13R1.555 CC/C=C/CNc1cccnc1Br ebf00ae7ce602af0250ce2a1d28bff40 [0,1,1,0,0,0|2,0,0]=4 1694 B13R1.555 CC/C=C/CNc1cccnc1C 320751d649f1258d294bc03dc9d0e643 [0,1,1,0,0,0|2,0,0]=4 1695 B13R1.555 CC/C=C/CNc1cccnc1Cl c16e92ba3b7252d13950c77771526113 [0,1,1,0,0,0|2,0,0]=4 1696 B13R1.555 CC/C=C/CNc1cccnc1F dda79b379bdd006522fe33fd84c4e815 [0,1,1,0,0,0|2,0,0]=4 1697 B13R1.555 CC/C=C/CNc1cccnc1I aeb2d95b2c147e7976b17873a9c245c3 [0,1,1,0,0,0|2,0,0]=4 1698 B13R1.555 CC/C=C/CNc1cnccc1Br aadac3d892b8092625f83f88005a9c18 [0,1,1,0,0,0|2,0,0]=4 1699 B13R1.555 CC/C=C/CNc1cnccc1C 8de1dbdb577b088b500029db5359b5b5 [0,1,1,0,0,0|2,0,0]=4 1700 B13R1.555 CC/C=C/CNc1cnccc1Cl 0b78fe7c2b873a00becc0a0271b85c7c [0,1,1,0,0,0|2,0,0]=4 1701 B13R1.555 CC/C=C/CNc1cnccc1F c73abcac5ad956783319fc7e4d294397 [0,1,1,0,0,0|2,0,0]=4 1702 B13R1.555 CC/C=C/CNc1cnccc1I 64adfd9250029298fad8720bd0af780b [0,1,1,0,0,0|2,0,0]=4 1703 B13R1.555 CC/C=C/CNc1cnccc1S 8db45efe1b824ab95249f010231b51e0 [0,1,1,0,0,0|2,0,0]=4 1704 B13R1.555 CC/C=C/COc1cccnc1Br ff36501899c899498094849a5d4e1866 [0,1,1,0,0,0|2,0,0]=4 1705 B13R1.555 CC/C=C/COc1cccnc1C f715e061c28b630bd1c2fe7c186cf526 [0,1,1,0,0,0|2,0,0]=4 1706 B13R1.555 CC/C=C/COc1cccnc1Cl 55921805f45d53d9e4185dc89fa19cae [0,1,1,0,0,0|2,0,0]=4 1707 B13R1.555 CC/C=C/COc1cccnc1F 4af8b9d41255ef6137dcfa32368af87e [0,1,1,0,0,0|2,0,0]=4 1708 B13R1.555 CC/C=C/COc1cccnc1I 44448e8f49e58f097e114aa8dd4d2a81 [0,1,1,0,0,0|2,0,0]=4 1709 B13R1.555 CC/C=C/COc1cnccc1Br dda3eb4493fd327ac6a9a70e9199d843 [0,1,1,0,0,0|2,0,0]=4 1710 B13R1.555 CC/C=C/COc1cnccc1C 301977f74c2a0d57bba4efddb64dcc3c [0,1,1,0,0,0|2,0,0]=4 1711 B13R1.555 CC/C=C/COc1cnccc1Cl 84f270fa3138b3840ff7a312076988be [0,1,1,0,0,0|2,0,0]=4 1712 B13R1.555 CC/C=C/COc1cnccc1F d7d4c5a05432ab4ef4c5a30e14121021 [0,1,1,0,0,0|2,0,0]=4 1713 B13R1.555 CC/C=C/COc1cnccc1I a89c75610ef2e814fb3cb43bc667a396 [0,1,1,0,0,0|2,0,0]=4 1714 B13R1.555 CC=CCNCc1cccc[n+]1[O-] 030d45bce1866d04e7498e48a118de09 [0,1,1,0,0,0|2,0,0]=4 1715 B13R1.555 CC=CCNCc1ccccc1Br 084443a3250894746ac2ae0c6994b3d8 [0,1,1,0,0,0|1,0,0]=3 1716 B13R1.555 CC=CCNCc1ccccc1C fc34d3736aabe7a33251c3bb06e9c8f4 [0,1,1,0,0,0|1,0,0]=3 1717 B13R1.555 CC=CCNCc1ccccc1Cl 9a0574803c8da89c2944e613c6acefc6 [0,1,1,0,0,0|1,0,0]=3 1718 B13R1.555 CC=CCNCc1ccccc1F 879a6fe91c8d52a639ec4222bc8844da [0,1,1,0,0,0|1,0,0]=3 1719 B13R1.555 CC=CCNCc1ccccc1I 57167de17fb0d7c741b42dd77b4f865d [0,1,1,0,0,0|1,0,0]=3 1720 B13R1.555 CC=CCNCc1cccnc1Br a5f8fe9a695e100ff73e7c436951180b [0,1,1,0,0,0|0,0,0]=2 1721 B13R1.555 CC=CCNCc1cccnc1C 17ceae7e058958488af4aeb639acef1b [0,1,1,0,0,0|0,0,0]=2 1722 B13R1.555 CC=CCNCc1cccnc1Cl e8d4032272adcb2406e54211121806c2 [0,1,1,0,0,0|0,0,0]=2 1723 B13R1.555 CC=CCNCc1cccnc1F 237b49c9819b7fa5924290140b0861b4 [0,1,1,0,0,0|0,0,0]=2 1724 B13R1.555 CC=CCNCc1ccncc1Cl 9fd7b26c2c9f45a6a450e61bb69e9578 [0,1,1,0,0,0|2,0,0]=4 1725 B13R1.555 CC=CCNCc1ccncc1F 5139a21e7690217e7408c6482d8d7525 [0,1,1,0,0,0|2,0,0]=4 1726 B13R1.555 CC=CCNCc1cnccc1C 5e9eab980dba00b7dbaba1ab0d4fc60b [0,1,1,0,0,0|0,0,0]=2 1727 B13R1.555 CC=CCNCc1cncnc1C 987ea2beb070ba488a52c596be42a149 [0,1,1,0,0,0|1,0,0]=3 1728 B13R1.555 CC=CCNCc1ncccc1Br 107b706f876c63831b8c2760cdd7c397 [0,1,1,0,0,0|2,0,0]=4 1729 B13R1.555 CC=CCNCc1ncccc1C 65fa4111c21a0e19072a5020876d928d [0,1,1,0,0,0|2,0,0]=4 1730 B13R1.555 CC=CCNCc1ncccc1Cl 4254545a5fc94436f7fcca4e1cb88bda [0,1,1,0,0,0|2,0,0]=4 1731 B13R1.555 CC=CCNCc1ncccc1F 1d4c2965c12f316fa7f48f236711fb4f [0,1,1,0,0,0|2,0,0]=4 1732 B13R1.555 CC=CCNCc1nccnc1C a9b97f4829bbba0a1859a51f4c4e8aca [0,1,1,0,0,0|1,0,0]=3 1733 B13R1.555 CC=CCNCc1nccnc1Cl 28b6bfbf3b21513c7a8145509e8193e2 [0,1,1,0,0,0|1,0,0]=3 1734 B13R1.555 CC=CCOCc1ccccc1Br 56a930a1008ae3a06d535eab934ce0fa [0,1,1,0,0,0|2,0,0]=4 1735 B13R1.555 CC=CCOCc1ccccc1C 015e58d0579b72e2adbdba713c4dbfb1 [0,1,1,0,0,0|2,0,0]=4 1736 B13R1.555 CC=CCOCc1ccccc1Cl a98924cbed1c451051e57a82cc4c1c0e [0,1,1,0,0,0|2,0,0]=4 1737 B13R1.555 CC=CCOCc1ccccc1F 1021268991b40467ee2c1a57551c464f [0,1,1,0,0,0|2,0,0]=4 1738 B13R1.555 CC=CCOCc1ccccc1I 05285ba03a71c3e465730b71f52adb71 [0,1,1,0,0,0|2,0,0]=4 1739 B13R1.555 CC=CCOCc1cccnc1Br 94f96d795a5853f5ed603d97bbd47a66 [0,1,1,0,0,0|1,0,0]=3 1740 B13R1.555 CC=CCOCc1cccnc1C 63fbb2fe67b2e523863ac3c0598a5796 [0,1,1,0,0,0|1,0,0]=3 1741 B13R1.555 CC=CCOCc1cccnc1Cl b8164635238b99cd0f436411308150c8 [0,1,1,0,0,0|1,0,0]=3 1742 B13R1.555 CC=CCOCc1cccnc1F e6779beb95d78dc2e99ee02d60d73b4e [0,1,1,0,0,0|1,0,0]=3 1743 B13R1.555 CC=CCOCc1cnccc1C 136c2f98567b3c797e05a9d8026e5dcf [0,1,1,0,0,0|1,0,0]=3 1744 B13R1.555 CC=CCOCc1cncnc1C 9cebbfea8220ebb26e00ac0af81bf751 [0,1,1,0,0,0|2,0,0]=4 1745 B13R1.555 CC=CCOCc1nccnc1C 98b68ed606460dd75a610e85cc2c2bc6 [0,1,1,0,0,0|2,0,0]=4 1746 B13R1.555 CC=CCOCc1nccnc1Cl 7aa2f6d4bb84d6760e380953f1dda972 [0,1,1,0,0,0|2,0,0]=4 1747 B13R1.555 CCCCNCc1cccnc1Br 3ba782acd22e7c0892f1b2352ea8ff61 [0,1,1,0,0,0|0,0,2]=4 1748 B13R1.555 CCCCNCc1cccnc1C 631b6864bf6c05e5c6f2faf30ccc06cf [0,1,1,0,0,0|0,0,2]=4 1749 B13R1.555 CCCCNCc1cccnc1Cl 2967769c4770ac8dea993d81b4ad2b56 [0,1,1,0,0,0|0,0,2]=4 1750 B13R1.555 CCCCNCc1cccnc1F 74ad2280e7f3f497ff7ecff8b795bdb0 [0,1,1,0,0,0|0,0,2]=4 1751 B13R1.555 CCCCNCc1cnccc1C 9d187c23b78b2fc39e81689a5d30fc28 [0,1,1,0,0,0|0,0,2]=4 1752 B13R1.555 CCOCNCc1cccnc1Br d2b2b0ff8a08e650b07456c9c18b57b2 [0,1,1,0,0,0|1,0,1]=4 1753 B13R1.555 CCOCNCc1cccnc1C 65374242dceb0536dff76625421c6bd1 [0,1,1,0,0,0|1,0,1]=4 1754 B13R1.555 CCOCNCc1cccnc1Cl 0ca6d2ae90a229cb464aac1fb77f2bb7 [0,1,1,0,0,0|1,0,1]=4 1755 B13R1.555 CCOCNCc1cccnc1F 481f86041dd69586e6be4f5f8a0f7ef2 [0,1,1,0,0,0|1,0,1]=4 1756 B13R1.555 COCCNCc1cccnc1Br 4e589d1401dd7079ba3170e79164b41d [0,1,1,0,0,0|1,0,1]=4 1757 B13R1.555 COCCNCc1cccnc1C 7942ba0af7cb5d7943714fc73c6beead [0,1,1,0,0,0|1,0,1]=4 1758 B13R1.555 COCCNCc1cccnc1Cl 306c56fd761bd24542f30b99a01ad766 [0,1,1,0,0,0|1,0,1]=4 1759 B13R1.555 COCCNCc1cccnc1F c370293b4b6a0fcea60482c09ce52b51 [0,1,1,0,0,0|1,0,1]=4 1760 B13R1.555 COCCNCc1cnccc1C f3725061ffb07e1a3c3c2ff9e496ab2c [0,1,1,0,0,0|1,0,1]=4 1761 B13R1.555 CSCCNCc1cccnc1Br db3c9dddb817ca709dc49bfc1fe83b16 [0,1,1,0,0,0|1,0,1]=4 1762 B13R1.555 CSCCNCc1cccnc1C ae1f1de7fed2de5bef053bc23a8ec05a [0,1,1,0,0,0|1,0,1]=4 1763 B13R1.555 CSCCNCc1cccnc1Cl d1152c6bdaec84f742b4934740eefad6 [0,1,1,0,0,0|1,0,1]=4 1764 B13R1.555 CSCCNCc1cccnc1F b6bec5bfa4d0b4a1a00dac133910d3b9 [0,1,1,0,0,0|1,0,1]=4 1765 B13R1.555 CSCCNCc1cnccc1C 6c63d7f5c05bc75fb98eed7dfd1ea0fc [0,1,1,0,0,0|1,0,1]=4 1766 B13R1.555 Cc1ccccc1CNC/C=C/Cl 2bad63dfef8c4a8844a1760f132f0386 [0,1,1,0,0,0|2,0,0]=4 1767 B13R1.555 Cc1ccccc1CNC/C=C\Cl b51ec8c271896aa0eceebb31448c242a [0,1,1,0,0,0|2,0,0]=4 1768 B13R1.555 Cc1ccccc1CNC/C=C\O 61f67463cf719f1a534e18895c02d073 [0,1,1,0,0,0|2,0,0]=4 1769 B13R1.555 Cc1ccncc1CNC/C=C/Cl f6d5ca1f9a79db4acb4761f970f8187a [0,1,1,0,0,0|1,0,0]=3 1770 B13R1.555 Cc1ccncc1CNC/C=C\Cl 620739b1dc1c087622d11663fc6f6251 [0,1,1,0,0,0|1,0,0]=3 1771 B13R1.555 Cc1ccncc1CNC/C=C\O 5ddbf7bd96c2153fb8958d292a8d7790 [0,1,1,0,0,0|1,0,0]=3 1772 B13R1.555 Cc1ccncc1CNCCC=O e906fb53786f5ca7c1e584fc74942329 [0,1,1,0,0,0|1,0,1]=4 1773 B13R1.555 Cc1ccncc1COC/C=C/Cl d582d24809c558054ef01860566c15f9 [0,1,1,0,0,0|2,0,0]=4 1774 B13R1.555 Cc1ccncc1COC/C=C\Cl 7eb7d30a910fdde7903a8c627be2d174 [0,1,1,0,0,0|2,0,0]=4 1775 B13R1.555 Cc1ccncc1COCC=CCl 615550ceb2187d755086999380e570ad [0,1,1,0,0,0|2,0,0]=4 1776 B13R1.555 Cc1ccnnc1CNC/C=C/Cl 7616e9d1d579a11b5b8cf89e8a826a49 [0,1,1,0,0,0|2,0,0]=4 1777 B13R1.555 Cc1ccnnc1CNC/C=C\Cl ebb84d1e00aa3e9eb434b8b67771086e [0,1,1,0,0,0|2,0,0]=4 1778 B13R1.555 Cc1ccnnc1CNC/C=C\O 9ddbe5e374fbfd3b580a1ed9137b8060 [0,1,1,0,0,0|2,0,0]=4 1779 B13R1.555 Cc1ncccc1CNC/C=C/Cl ca5939d59ee72ab707f4c40e4e3daf98 [0,1,1,0,0,0|1,0,0]=3 1780 B13R1.555 Cc1ncccc1CNC/C=C\Cl 2877253129627a550d5938ecbd0563d6 [0,1,1,0,0,0|1,0,0]=3 1781 B13R1.555 Cc1ncccc1CNC/C=C\O e7cc0caeeddcd3d27c10665c78219add [0,1,1,0,0,0|1,0,0]=3 1782 B13R1.555 Cc1ncccc1CNCCC=O 69b570462fcb9052dfcff30b692cb11e [0,1,1,0,0,0|1,0,1]=4 1783 B13R1.555 Cc1ncccc1COC/C=C/Cl 9507d865da782fb7a9a4b84d8e9832a6 [0,1,1,0,0,0|2,0,0]=4 1784 B13R1.555 Cc1ncccc1COC/C=C\Cl b7328e07d68b0f8331a1467eb1e2a8c6 [0,1,1,0,0,0|2,0,0]=4 1785 B13R1.555 Cc1ncccc1COCC=CCl 68a4068fdf691e94a9ee37ca07e5626c [0,1,1,0,0,0|2,0,0]=4 1786 B13R1.555 Cl/C=C/CNCc1ccccc1Br 46e882ade3d84acf89a9f64bf0c2d3f8 [0,1,1,0,0,0|2,0,0]=4 1787 B13R1.555 Cl/C=C/CNCc1ccccc1Cl 3b71c9308b811a8222b418c7a6cd6f4b [0,1,1,0,0,0|2,0,0]=4 1788 B13R1.555 Cl/C=C/CNCc1ccccc1I b00222f0fb7be36fc6a0250b392f2522 [0,1,1,0,0,0|2,0,0]=4 1789 B13R1.555 Cl/C=C/CNCc1cccnc1Br 73b9bdc2a8bb3efa6a6e735d93f30dc3 [0,1,1,0,0,0|1,0,0]=3 1790 B13R1.555 Cl/C=C/CNCc1cccnc1Cl 4f11061e83f08f9a569eac153528c74f [0,1,1,0,0,0|1,0,0]=3 1791 B13R1.555 Cl/C=C/CNCc1nccnc1Cl e0cb5ef1c1a3413716eef56438b5de45 [0,1,1,0,0,0|2,0,0]=4 1792 B13R1.555 Cl/C=C/COCc1cccnc1Br e34865ba17b3bd5f0293a40c77fee060 [0,1,1,0,0,0|2,0,0]=4 1793 B13R1.555 Cl/C=C/COCc1cccnc1Cl e109f4469f46dc79d1a9c6f655feb585 [0,1,1,0,0,0|2,0,0]=4 1794 B13R1.555 Cl/C=C/COCc1cnccc1Br c1649276f540df7a303a82811ca8292c [0,1,1,0,0,0|2,0,0]=4 1795 B13R1.555 Cl/C=C/COCc1cnccc1Cl e2179f28e7a0f9cd8c7903e4d062d8ab [0,1,1,0,0,0|2,0,0]=4 1796 B13R1.555 Cl/C=C\CNCc1ccccc1Br 8aba13f2a93b579d47fc6479accfb38e [0,1,1,0,0,0|2,0,0]=4 1797 B13R1.555 Cl/C=C\CNCc1ccccc1Cl e98d4c880b779a0b1fa87aaf3b152797 [0,1,1,0,0,0|2,0,0]=4 1798 B13R1.555 Cl/C=C\CNCc1ccccc1I db8b5330eec2439a7a33c23322e449bd [0,1,1,0,0,0|2,0,0]=4 1799 B13R1.555 Cl/C=C\CNCc1cccnc1Br 352d6c77e079da2a4bdfd2cbe5c27566 [0,1,1,0,0,0|1,0,0]=3 1800 B13R1.555 Cl/C=C\CNCc1cccnc1Cl eb443977774729905649934df3842299 [0,1,1,0,0,0|1,0,0]=3 1801 B13R1.555 Cl/C=C\CNCc1nccnc1Cl 8a0a9d6337358cc61bedb68cf1e1599b [0,1,1,0,0,0|2,0,0]=4 1802 B13R1.555 Cl/C=C\COCc1cccnc1Br 39a8b48229b0b50f6fa933be999266f3 [0,1,1,0,0,0|2,0,0]=4 1803 B13R1.555 Cl/C=C\COCc1cccnc1Cl cbd0d27e8b88ff62d22143c468b3f0eb [0,1,1,0,0,0|2,0,0]=4 1804 B13R1.555 Cl/C=C\COCc1cnccc1Br 8fa2db7484af991731af3eb93db0ffcb [0,1,1,0,0,0|2,0,0]=4 1805 B13R1.555 Cl/C=C\COCc1cnccc1Cl 2fb5ed0fb25791afa98d376011275e77 [0,1,1,0,0,0|2,0,0]=4 1806 B13R1.555 ClC=CCOCc1cccnc1Br 1c6365d4a2eabbbc9eda7d091dcec777 [0,1,1,0,0,0|2,0,0]=4 1807 B13R1.555 ClC=CCOCc1cccnc1Cl 71d5a38adc8b528a35fa82bdce5efb58 [0,1,1,0,0,0|2,0,0]=4 1808 B13R1.555 Fc1ccccc1CNC/C=C/Cl 7dcd476877e67c1f2c70beb0b6a97108 [0,1,1,0,0,0|2,0,0]=4 1809 B13R1.555 Fc1ccccc1CNC/C=C\Cl fd5f9109caf275936251722219a555ed [0,1,1,0,0,0|2,0,0]=4 1810 B13R1.555 Fc1ccncc1COC/C=C/Cl 6e3d2087416cbbf09be0304561f1a7cf [0,1,1,0,0,0|2,0,0]=4 1811 B13R1.555 Fc1ccncc1COC/C=C\Cl 056143cc66b86694a9bf42a0025960e2 [0,1,1,0,0,0|2,0,0]=4 1812 B13R1.555 Fc1ncccc1CNC/C=C/Cl cb80f60ca9e903fb0161ac988ed0c33b [0,1,1,0,0,0|1,0,0]=3 1813 B13R1.555 Fc1ncccc1CNC/C=C\Cl 80027b12f1bf697ab06d806467b803fb [0,1,1,0,0,0|1,0,0]=3 1814 B13R1.555 Fc1ncccc1COC/C=C/Cl 47badcb7406f530e7341060b10c677fc [0,1,1,0,0,0|2,0,0]=4 1815 B13R1.555 Fc1ncccc1COC/C=C\Cl e9dc00df5699c5939b38e1e75d0d1dfa [0,1,1,0,0,0|2,0,0]=4 1816 B13R1.555 Fc1ncccc1COCC=CCl e50179552c5415a6388183a0757ae6b5 [0,1,1,0,0,0|2,0,0]=4 1817 B13R1.555 O/C=C\CNCc1ccccc1Br 6978a8ea5ebb944124ab984c5d4fe39a [0,1,1,0,0,0|2,0,0]=4 1818 B13R1.555 O/C=C\CNCc1ccccc1Cl 45b01bdfe07023c71852eb63bbfb39cd [0,1,1,0,0,0|2,0,0]=4 1819 B13R1.555 O/C=C\CNCc1ccccc1F 014bbf6e114e399b766f1639dab2e224 [0,1,1,0,0,0|2,0,0]=4 1820 B13R1.555 O/C=C\CNCc1ccccc1I e689093a76704af724a3b361858e71ad [0,1,1,0,0,0|2,0,0]=4 1821 B13R1.555 O/C=C\CNCc1cccnc1Br bdf9e8f308936ce370837514f1cc6659 [0,1,1,0,0,0|1,0,0]=3 1822 B13R1.555 O/C=C\CNCc1cccnc1Cl 604c8e1e0343e084c544a8bf097585b3 [0,1,1,0,0,0|1,0,0]=3 1823 B13R1.555 O/C=C\CNCc1cccnc1F 9b5730721543dc3cd2364a125ec4a67a [0,1,1,0,0,0|1,0,0]=3 1824 B13R1.555 O/C=C\CNCc1nccnc1Cl 1ac2c137c76905a16a096cf68b3dffa2 [0,1,1,0,0,0|2,0,0]=4 1825 B13R1.555 O=CCCNCc1cccnc1Br b39d137c9bbe7d81679935b0f7e82975 [0,1,1,0,0,0|1,0,1]=4 1826 B13R1.555 O=CCCNCc1cccnc1Cl 111521eddb46a194903a61caaf62268e [0,1,1,0,0,0|1,0,1]=4 1827 B13R1.555 O=CCCNCc1cccnc1F 71e70548aa0d05c5a62b7c7018582de4 [0,1,1,0,0,0|1,0,1]=4 1828 B13R1.718 C/C(=C\I)/COCc1cccnc1 cad1011d4df3abab9b0358cd019c96a5 [0,1,1,0,0,0|2,0,0]=4 1829 B13R1.718 C=C(C#N)CNCc1cccnc1 dce3e1f599c9b7da919c9a5ec70ae77e [0,1,1,0,0,0|1,0,1]=4 1830 B13R1.718 C=C(CC)CNCc1ccccc1 7b6d15ba80b42d586edb2259dfbe6885 [0,1,1,0,0,0|1,0,1]=4 1831 B13R1.718 C=C(CC)CNCc1cccnc1 03928b0ceed3b1ebbfd8bbafd454c8f4 [0,1,1,0,0,0|0,0,1]=3 1832 B13R1.718 C=C(CC)CNCc1cccnn1 4b02f6cc5d3d1fb5b16091359392835e [0,1,1,0,0,0|1,0,1]=4 1833 B13R1.718 C=C(CC)CNCc1ccnnc1 a0933cbc18da383192f0226327ba8421 [0,1,1,0,0,0|1,0,1]=4 1834 B13R1.718 C=C(CC)CNCc1cnccn1 8308b0cc389c66ee303ba67049657d2d [0,1,1,0,0,0|1,0,1]=4 1835 B13R1.718 C=C(CC)CNCc1cncnc1 97574288623759a3e8ebf13563649ee7 [0,1,1,0,0,0|1,0,1]=4 1836 B13R1.718 C=C(CC)COCc1cccnc1 717f8fc09c5ddd0e8fdea94ae47e654d [0,1,1,0,0,0|1,0,1]=4 1837 B13R1.718 C=C(CNCc1ccccc1)OC a6bb62f62354597296a749225c1fa97e [0,1,1,0,0,0|2,0,0]=4 1838 B13R1.718 C=C(CNCc1cccnc1)OC 66cff0dc4539794fe3ee31f0820eb916 [0,1,1,0,0,0|1,0,0]=3 1839 B13R1.718 C=C(CNCc1cccnn1)OC 9094fee5ec7302e7422b9b1ada5b6be4 [0,1,1,0,0,0|2,0,0]=4 1840 B13R1.718 C=C(CNCc1ccnnc1)OC fec4c10e4b5a73660858c0c0990db2fc [0,1,1,0,0,0|2,0,0]=4 1841 B13R1.718 C=C(CNCc1cnccn1)OC 32d13d4191d7d11750121adb5b0aeb5d [0,1,1,0,0,0|2,0,0]=4 1842 B13R1.718 C=C(CNCc1cncnc1)OC 49e606357be200bd7f6784a31bf37f08 [0,1,1,0,0,0|2,0,0]=4 1843 B13R1.718 C=C(CO)CNCc1cccnc1 effa62e96c7436a1cb8267592106e842 [0,1,1,0,0,0|1,0,1]=4 1844 B13R1.718 C=C(COCc1cccnc1)OC 84b2e2c3fb77c0040c839d9ae4c98ff6 [0,1,1,0,0,0|2,0,0]=4 1845 B13R1.718 C=CC(O)CNCc1cccnc1 f0f251617065da83f03ea3dd60d695bf [0,1,1,0,0,0|0,0,2]=4 1846 B13R1.718 CC(=CI)COCc1cccnc1 9e367226b833cc822b7df856400f6379 [0,1,1,0,0,0|2,0,0]=4 1847 B13R1.718 CCC(=O)CNCc1ccccc1 379e58d542b4d413818ec926fe2743ec [0,1,1,0,0,0|1,0,1]=4 1848 B13R1.718 CCC(=O)CNCc1cccnc1 a0ae1736d115a1b37354a3eb7d6e8962 [0,1,1,0,0,0|0,0,1]=3 1849 B13R1.718 CCC(=O)CNCc1cccnn1 42c53f8a84cbb5419b9273c3b12f9ace [0,1,1,0,0,0|1,0,1]=4 1850 B13R1.718 CCC(=O)CNCc1ccnnc1 f72c3fd7ac272c93bcdcb19b7110f1d2 [0,1,1,0,0,0|1,0,1]=4 1851 B13R1.718 CCC(=O)CNCc1cnccn1 c4bf00204b9f96e260797f9477875ae6 [0,1,1,0,0,0|1,0,1]=4 1852 B13R1.718 CCC(=O)CNCc1cncnc1 5f8edae54e08073dae91268b64ef81f9 [0,1,1,0,0,0|1,0,1]=4 1853 B13R1.718 CCC(=O)COCc1cccnc1 57447ead7e397e84ecf93877ba795b89 [0,1,1,0,0,0|1,0,1]=4 1854 B13R1.718 CCC(=O)NCCc1cccnc1 1d09c254c28e535106dd788f27f21fc0 [0,1,1,0,0,0|2,0,0]=4 1855 B13R1.718 CCC(C)CNCc1cccnc1 0f74b619bf6c30b422c0cd7902a59adb [0,1,1,0,0,0|0,0,2]=4 1856 B13R1.718 CCC(O)CNCc1cccnc1 fa13230d7f791de8096094c12ab9a7be [0,1,1,0,0,0|0,0,2]=4 1857 B13R1.718 CC[C@@H](C)CNCc1cccnc1 11254f22f22914b59ea1c00a88413366 [0,1,1,0,0,0|0,0,2]=4 1858 B13R1.718 CC[C@@H](O)CNCc1cccnc1 4990261c74598a011657339abb494d29 [0,1,1,0,0,0|0,0,2]=4 1859 B13R1.718 CC[C@H](C)CNCc1cccnc1 13376d16a9a0740e92da57b6537717c2 [0,1,1,0,0,0|0,0,2]=4 1860 B13R1.718 CNC(=O)CNCc1ccccc1 13c5aa70031d86dc84c604128f7e10a9 [0,1,1,0,0,0|2,0,0]=4 1861 B13R1.718 CNC(=O)CNCc1cccnc1 0668b59ecd5487b7ee7ff8eb23cf071a [0,1,1,0,0,0|1,0,0]=3 1862 B13R1.718 CNC(=O)CNCc1cccnn1 ee1c4a67aa56e70e84ce1f5853b054b4 [0,1,1,0,0,0|2,0,0]=4 1863 B13R1.718 CNC(=O)CNCc1ccnnc1 c08c3a73ef4e40088b66870693105793 [0,1,1,0,0,0|2,0,0]=4 1864 B13R1.718 CNC(=O)CNCc1cnccn1 fd3d4919441109ebc4bfaf6f610113ab [0,1,1,0,0,0|2,0,0]=4 1865 B13R1.718 CNC(=O)CNCc1cncnc1 97c5221a67f5462aa6c6ef235da02c8f [0,1,1,0,0,0|2,0,0]=4 1866 B13R1.718 CNC(=O)COCc1cccnc1 2f141d2a763d247e7264526a6f2e67af [0,1,1,0,0,0|2,0,0]=4 1867 B13R1.718 COC(=O)CNCc1ccccc1 432cb974df5f60a3ba0208949a9b1c17 [0,1,1,0,0,0|2,0,0]=4 1868 B13R1.718 COC(=O)CNCc1cccnc1 ba60fb6d568b8a8a50145db293b69a62 [0,1,1,0,0,0|1,0,0]=3 1869 B13R1.718 COC(=O)CNCc1cccnn1 366d087a771ffdc100caed45d3d22027 [0,1,1,0,0,0|2,0,0]=4 1870 B13R1.718 COC(=O)CNCc1ccnnc1 ad1d57d23181d22c265fab3ff275c569 [0,1,1,0,0,0|2,0,0]=4 1871 B13R1.718 COC(=O)CNCc1cnccn1 e183f9124315494684b9182039b82684 [0,1,1,0,0,0|2,0,0]=4 1872 B13R1.718 COC(=O)CNCc1cncnc1 c7dc8ec7d47f0e757474da2c78245d1a [0,1,1,0,0,0|2,0,0]=4 1873 B13R1.718 COC(=O)COCc1cccnc1 ee4c5ec0b463bcdf04221c51edd68981 [0,1,1,0,0,0|2,0,0]=4 1874 B13R1.718 COC(C)CNCc1cccnc1 3625295d9071f3d3bf3cef3098ae07b9 [0,1,1,0,0,0|1,0,1]=4 1875 B13R1.718 CO[C@@H](C)CNCc1cccnc1 3d99c2158495804f741e7bc9c3bb86a4 [0,1,1,0,0,0|1,0,1]=4 1876 B13R1.718 CO[C@H](C)CNCc1cccnc1 b201eaf6c8c3b51087961414ec1191a7 [0,1,1,0,0,0|1,0,1]=4 1877 B13R1.718 Cl/C=C(\Cl)/CNCc1ccccc1 fd0f70d3061ec9e94deba9f9dbd6b589 [0,1,1,0,0,0|2,0,0]=4 1878 B13R1.718 Cl/C=C(\Cl)/CNCc1cccnc1 ae88f73a9b6b6fef0edd788fecd25125 [0,1,1,0,0,0|1,0,0]=3 1879 B13R1.718 Cl/C=C(\Cl)/CNCc1cccnn1 09be75ddb4b6b4ae2051b18f5b7ce988 [0,1,1,0,0,0|2,0,0]=4 1880 B13R1.718 Cl/C=C(\Cl)/CNCc1ccnnc1 b3f64cf026fd87579763559940dab2fb [0,1,1,0,0,0|2,0,0]=4 1881 B13R1.718 Cl/C=C(\Cl)/CNCc1cnccn1 bd9c5fc85bd2240115c53c2b2ecd91e1 [0,1,1,0,0,0|2,0,0]=4 1882 B13R1.718 Cl/C=C(\Cl)/CNCc1cncnc1 5ca2990ace93d419e2f1bcbdf0066a6c [0,1,1,0,0,0|2,0,0]=4 1883 B13R1.718 Cl/C=C(\Cl)/COCc1cccnc1 168666a2ad497c70ea1799640da940a8 [0,1,1,0,0,0|2,0,0]=4 1884 B13R1.718 O=C(CF)NCCc1cccnc1 f912cf2c4f074227d6e423310a425132 [0,1,1,0,0,0|2,0,0]=4 1885 B13R1.718 O=C(CNCc1cccnc1)NO 90dfa824bf2fb2057c4ec7f67ef8e611 [0,1,1,0,0,0|2,0,0]=4 1886 B13R1.718 O=C(CO)CNCc1cccnc1 ad1f2de2e681b3f0cf0258141409de7c [0,1,1,0,0,0|1,0,1]=4 1887 B13R1.718 O=C(CO)NCCc1cccnc1 3eae8ddd9e0e51d578592e13c720b936 [0,1,1,0,0,0|2,0,0]=4 1888 B13R1.718 O=C(CS)NCCc1cccnc1 8e058d56bbfc6a71981d83b6e82147c4 [0,1,1,0,0,0|2,0,0]=4 1889 B13R1.11 C=CC(=O)NC(C)c1ccccc1 a100f521898bb81c4e99226fffe06fb6 [0,1,1,0,0,0|1,0,1]=4 1890 B13R1.11 C=CC(=O)NC(C)c1cccnc1 4fd243525e74f07e484b69ddfdf930f6 [0,1,1,0,0,0|0,0,1]=3 1891 B13R1.11 C=CC(=O)NC(C)c1cccnn1 7e085793e2f3fad1e6304774b23a1a12 [0,1,1,0,0,0|1,0,1]=4 1892 B13R1.11 C=CC(=O)NC(C)c1ccnnc1 3b1c0fa8d7c9f06c8b15136595e0f19b [0,1,1,0,0,0|1,0,1]=4 1893 B13R1.11 C=CC(=O)NC(C)c1cnccn1 f786391f01223566a9c79958a5fe0e6d [0,1,1,0,0,0|1,0,1]=4 1894 B13R1.11 C=CC(=O)NC(C)c1cncnc1 67ba3a6fe4b64607ba8e116a98475146 [0,1,1,0,0,0|1,0,1]=4 1895 B13R1.11 C=CC(=O)N[C@@H](C)c1ccccc1 9d80f61e877a9a16d92368cafd1ec0ea [0,1,1,0,0,0|1,0,1]=4 1896 B13R1.11 C=CC(=O)N[C@@H](C)c1cccnc1 a153818ee06eeddc739d25c5237cad5f [0,1,1,0,0,0|0,0,1]=3 1897 B13R1.11 C=CC(=O)N[C@@H](C)c1cncnc1 1f2e67d7385b6723561c0bcb88dddb87 [0,1,1,0,0,0|1,0,1]=4 1898 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 28cb17391de070f2dfa180f53ce3e2a3 [0,1,1,0,0,0|1,0,1]=4 1899 B13R1.11 C=CC(=O)N[C@H](C)c1cccnc1 e3cdcea48fc73b54335d4b156dcd2b87 [0,1,1,0,0,0|0,0,1]=3 1900 B13R1.11 C=CC(=O)N[C@H](C)c1cncnc1 8d87952270723d598b3bdbd3f4db77f6 [0,1,1,0,0,0|1,0,1]=4 1901 B13R1.11 C=CC(C)NC(=O)c1cccnc1 dcc9307046668b3f9f48b47c0fb4d098 [0,1,1,0,0,0|1,0,1]=4 1902 B13R1.11 C=CC(C)NC(C)c1ccccc1 79aaae47f7827e28b52622cb8fcd832e [0,1,1,0,0,0|1,0,0]=3 1903 B13R1.11 C=CC(C)NC(C)c1ccccn1 40b2957d6b150284396767b13e21c2eb [0,1,1,0,0,0|2,0,0]=4 1904 B13R1.11 C=CC(C)NC(C)c1cccnc1 8cc63a9989cbec3852563363a112c958 [0,1,1,0,0,0|0,0,0]=2 1905 B13R1.11 C=CC(C)NC(C)c1cccnn1 2d72af3c910b0080198c61855e9c7cf9 [0,1,1,0,0,0|1,0,0]=3 1906 B13R1.11 C=CC(C)NC(C)c1ccncc1 9eaa933f1d2799d811913b23df23be39 [0,1,1,0,0,0|2,0,0]=4 1907 B13R1.11 C=CC(C)NC(C)c1ccnnc1 9f93a66e5bf9126a5382287cbb92abae [0,1,1,0,0,0|1,0,0]=3 1908 B13R1.11 C=CC(C)NC(C)c1cnccn1 22e782945d3456edcbc0b3b1bdf075cd [0,1,1,0,0,0|1,0,0]=3 1909 B13R1.11 C=CC(C)NC(C)c1cncnc1 aecb54d27a46cae2cd911d1342f8a032 [0,1,1,0,0,0|1,0,0]=3 1910 B13R1.11 C=CC(C)N[C@@H](C)c1ccccc1 5f5f0c679946662db5947240b7c62b87 [0,1,1,0,0,0|1,0,0]=3 1911 B13R1.11 C=CC(C)N[C@@H](C)c1ccccn1 c5437d56cc7c2d41389ddd6fcd88421d [0,1,1,0,0,0|2,0,0]=4 1912 B13R1.11 C=CC(C)N[C@@H](C)c1cccnc1 6a7e73cf9f6ffc70ca37f91c09096b69 [0,1,1,0,0,0|0,0,0]=2 1913 B13R1.11 C=CC(C)N[C@@H](C)c1ccncc1 91bb8ceca932bc518758f658bd7850bf [0,1,1,0,0,0|2,0,0]=4 1914 B13R1.11 C=CC(C)N[C@@H](C)c1cncnc1 1a9bad17aa1b087fdaff02bab6814473 [0,1,1,0,0,0|1,0,0]=3 1915 B13R1.11 C=CC(C)N[C@H](C)c1ccccc1 2af859ac0ae15bb864ad0122306e5dc1 [0,1,1,0,0,0|1,0,0]=3 1916 B13R1.11 C=CC(C)N[C@H](C)c1ccccn1 21066be90a2d5e34e8424dffab52ef0e [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.11 C=CC(C)N[C@H](C)c1cccnc1 332dc15dbec8e8a0e50425e547c9d906 [0,1,1,0,0,0|0,0,0]=2 1918 B13R1.11 C=CC(C)N[C@H](C)c1ccncc1 5ba9796153c669a6b27819a64bf6e6c6 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.11 C=CC(C)N[C@H](C)c1cncnc1 df2d2cd76ce7b5111a38a548fb042042 [0,1,1,0,0,0|1,0,0]=3 1920 B13R1.11 C=CC(C)OC(C)c1ccccc1 9d09fffdc7be60a3eed359b27fd06691 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.11 C=CC(C)OC(C)c1cccnc1 9763ccc1632b9881afae3915d00ee40b [0,1,1,0,0,0|1,0,0]=3 1922 B13R1.11 C=CC(C)OC(C)c1cccnn1 8325f36f9427103cb88865b5bb89cb01 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.11 C=CC(C)OC(C)c1cnccn1 9d672b87cdf4e13da9df6041ebb666b2 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.11 C=CC(C)OC(C)c1cncnc1 15e04043a4a5dc1c54fd607964f543c3 [0,1,1,0,0,0|2,0,0]=4 1925 B13R1.11 C=CC(C)O[C@@H](C)c1ccccc1 770d524bb667e83af0e777342d670dd2 [0,1,1,0,0,0|2,0,0]=4 1926 B13R1.11 C=CC(C)O[C@@H](C)c1cccnc1 fb90c18930eaf90cc312b05757a516ae [0,1,1,0,0,0|1,0,0]=3 1927 B13R1.11 C=CC(C)O[C@@H](C)c1cnccn1 14ab5ebf7aafddedc8137b925ba9b2a2 [0,1,1,0,0,0|2,0,0]=4 1928 B13R1.11 C=CC(C)O[C@H](C)c1ccccc1 85b523aa995164e812a7faf46bfb2608 [0,1,1,0,0,0|2,0,0]=4 1929 B13R1.11 C=CC(C)O[C@H](C)c1cccnc1 0eb60b65490ff7329b55fb51d2d6b07d [0,1,1,0,0,0|1,0,0]=3 1930 B13R1.11 C=CC(C)O[C@H](C)c1cccnn1 3bc524e12ac8210100ff4a83202bcbc6 [0,1,1,0,0,0|2,0,0]=4 1931 B13R1.11 C=CC(C)O[C@H](C)c1cnccn1 5415fb8005efb7596ae282d13449439f [0,1,1,0,0,0|2,0,0]=4 1932 B13R1.11 C=C[C@H](C)OC(C)c1ccccc1 d1dfd21d34cd444f03ec2544048e6598 [0,1,1,0,0,0|2,0,0]=4 1933 B13R1.11 C=C[C@H](C)O[C@@H](C)c1ccccc1 a6e21f6785118372d6940fd4b3de0051 [0,1,1,0,0,0|2,0,0]=4 1934 B13R1.11 C=C[C@H](C)O[C@H](C)c1ccccc1 0111f133b0d2f2ef298ab2e8a4683610 [0,1,1,0,0,0|2,0,0]=4 1935 B13R1.11 CC(C=O)NC(C)c1ccccc1 0cce7e19d47332aa47d5146fe0f289be [0,1,1,0,0,0|2,0,0]=4 1936 B13R1.11 CC(C=O)NC(C)c1cccnc1 12938a36f8a3d90879f09a5af90d5e6e [0,1,1,0,0,0|1,0,0]=3 1937 B13R1.11 CC(C=O)NC(C)c1cccnn1 52b4fcbfdc0a3cc95934614608df9646 [0,1,1,0,0,0|2,0,0]=4 1938 B13R1.11 CC(C=O)NC(C)c1ccnnc1 e04e6464d7fadb0f569df0dc6245e37d [0,1,1,0,0,0|2,0,0]=4 1939 B13R1.11 CC(C=O)NC(C)c1cnccn1 8a66dd6c8112dd9362f3881274868fbf [0,1,1,0,0,0|2,0,0]=4 1940 B13R1.11 CC(C=O)NC(C)c1cncnc1 9a83d89032871f95207969c46f8b29a7 [0,1,1,0,0,0|2,0,0]=4 1941 B13R1.11 CC(C=O)N[C@@H](C)c1ccccc1 68e3abbc43142e486a2e80ee1abe681c [0,1,1,0,0,0|2,0,0]=4 1942 B13R1.11 CC(C=O)N[C@@H](C)c1cccnc1 62589f4cb769bd3c11afaa0874e68b3f [0,1,1,0,0,0|1,0,0]=3 1943 B13R1.11 CC(C=O)N[C@@H](C)c1cncnc1 5a78dfc92bae7a9e766576e28558546b [0,1,1,0,0,0|2,0,0]=4 1944 B13R1.11 CC(C=O)N[C@H](C)c1ccccc1 32815fd5edc5568f0ef1109a250eb584 [0,1,1,0,0,0|2,0,0]=4 1945 B13R1.11 CC(C=O)N[C@H](C)c1cccnc1 29828b2f0f57fff1ea27e936634f42d4 [0,1,1,0,0,0|1,0,0]=3 1946 B13R1.11 CC(C=O)N[C@H](C)c1cncnc1 6e1c77881a1da470d6df68c2d73fd0b4 [0,1,1,0,0,0|2,0,0]=4 1947 B13R1.11 CC(C=O)OC(C)c1cccnc1 1bf9ccb9860d99ad34acc8de44c7f2a1 [0,1,1,0,0,0|2,0,0]=4 1948 B13R1.11 CC(C=O)O[C@@H](C)c1cccnc1 090551168a33dbd8a9e8858230ed572c [0,1,1,0,0,0|2,0,0]=4 1949 B13R1.11 CC(C=O)O[C@H](C)c1cccnc1 61c211f914b0a964d5bd93eabeed16ca [0,1,1,0,0,0|2,0,0]=4 1950 B13R1.11 CC(CO)NC(C)c1cccnc1 07e36bc383c33704ee35cb9e78ce2ca7 [0,1,1,0,0,0|1,0,1]=4 1951 B13R1.11 CC(CO)N[C@@H](C)c1cccnc1 b797cb10faab05917b1d5e89a8661cc5 [0,1,1,0,0,0|1,0,1]=4 1952 B13R1.11 CC(CO)N[C@H](C)c1cccnc1 a34610b0d5a7d9a77086149465fbced1 [0,1,1,0,0,0|1,0,1]=4 1953 B13R1.11 CC(NC(=O)C=O)c1cccnc1 9cc2ebda19e9db82bd24f013eb409a63 [0,1,1,0,0,0|1,0,1]=4 1954 B13R1.11 CC(N[C@@H](C)CO)c1cccnc1 2a973a8bb4020f0d7af4c9d254405e0e [0,1,1,0,0,0|1,0,1]=4 1955 B13R1.11 CC(N[C@H](C)C=O)c1ccccc1 43fc4147a75554200daf6d355b3d1491 [0,1,1,0,0,0|2,0,0]=4 1956 B13R1.11 CC(N[C@H](C)C=O)c1cccnc1 9feb2ecbc1a97f68b6e8c50cef5aa4c0 [0,1,1,0,0,0|1,0,0]=3 1957 B13R1.11 CC(N[C@H](C)C=O)c1cccnn1 be4e57c581f5fed10ab46c0c0438aecc [0,1,1,0,0,0|2,0,0]=4 1958 B13R1.11 CC(N[C@H](C)C=O)c1ccnnc1 4c9ef23f69abfffa846fc070cd96dbd4 [0,1,1,0,0,0|2,0,0]=4 1959 B13R1.11 CC(N[C@H](C)C=O)c1cnccn1 0950df81562f29d07aa40863f95ba111 [0,1,1,0,0,0|2,0,0]=4 1960 B13R1.11 CC(N[C@H](C)C=O)c1cncnc1 51043ef972e167a9696a6e3a7d4115c9 [0,1,1,0,0,0|2,0,0]=4 1961 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 a465aa4987a72fdfa71b4af0ebee3149 [0,1,1,0,0,0|1,0,1]=4 1962 B13R1.11 CC(O[C@H](C)C=O)c1cccnc1 0975a864c244e87dd15a1f827a9f0829 [0,1,1,0,0,0|2,0,0]=4 1963 B13R1.11 CCC(C)NC(C)c1cccnc1 50a7995097c7904c00eedfa3e0e57b32 [0,1,1,0,0,0|0,0,2]=4 1964 B13R1.11 CCC(C)N[C@@H](C)c1cccnc1 7801b331fbf515423d93ba492f510fb9 [0,1,1,0,0,0|0,0,2]=4 1965 B13R1.11 CCC(C)N[C@H](C)c1cccnc1 d51e02d9903f6254d1e2f5dca1b07f91 [0,1,1,0,0,0|0,0,2]=4 1966 B13R1.11 C[C@@H](CO)N[C@H](C)c1cccnc1 699c8162538cdf2926693fdba937d61c [0,1,1,0,0,0|1,0,1]=4 1967 B13R1.11 C[C@@H](NC(=O)C=O)c1cccnc1 8b42e34bd4ee7a76d74ef51f8122c25f [0,1,1,0,0,0|1,0,1]=4 1968 B13R1.11 C[C@H](C=O)N[C@@H](C)c1ccccc1 bc6fb7a7e98fddd224eae4cd3bcb23e0 [0,1,1,0,0,0|2,0,0]=4 1969 B13R1.11 C[C@H](C=O)N[C@@H](C)c1cccnc1 07811a2433af15824db6be98714959b6 [0,1,1,0,0,0|1,0,0]=3 1970 B13R1.11 C[C@H](C=O)N[C@@H](C)c1cncnc1 a6d6a6f115478d222e871adbe00adb02 [0,1,1,0,0,0|2,0,0]=4 1971 B13R1.11 C[C@H](C=O)N[C@H](C)c1ccccc1 54ab07ab3039a0ed30a0ba1bda36a4d0 [0,1,1,0,0,0|2,0,0]=4 1972 B13R1.11 C[C@H](C=O)N[C@H](C)c1cccnc1 b394c9277647e3bbe7f79928d2012bc1 [0,1,1,0,0,0|1,0,0]=3 1973 B13R1.11 C[C@H](C=O)N[C@H](C)c1cncnc1 3780135a6aa6b8201be577786683415a [0,1,1,0,0,0|2,0,0]=4 1974 B13R1.11 C[C@H](C=O)O[C@@H](C)c1cccnc1 56014e89255e34ba0896cc3e234243f3 [0,1,1,0,0,0|2,0,0]=4 1975 B13R1.11 C[C@H](C=O)O[C@H](C)c1cccnc1 7018d8bafba33a00f088702744c978ee [0,1,1,0,0,0|2,0,0]=4 1976 B13R1.11 C[C@H](CO)N[C@@H](C)c1cccnc1 f4d82f4d29ec0b05c03f2f58b67cc138 [0,1,1,0,0,0|1,0,1]=4 1977 B13R1.11 C[C@H](CO)N[C@H](C)c1cccnc1 38919da6ac8c06556f3c2fd526b2d692 [0,1,1,0,0,0|1,0,1]=4 1978 B13R1.11 C[C@H](NC(=O)C=O)c1cccnc1 cb18d80d44413cf17fdcd080c435df47 [0,1,1,0,0,0|1,0,1]=4 1979 B13R1.11 C[C@H](N[C@@H](C)CO)c1cccnc1 a9f6b4865cd242ef062e137f18bb5e9c [0,1,1,0,0,0|1,0,1]=4 1980 B13R1.17 C#CCNC(C)c1ccc(nc1)C e19e4688fc0a44e40f158d70f8e3cb47 [0,1,1,0,0,0|0,0,2]=4 1981 B13R1.17 C#CCNC(C)c1ccc(nc1)Cl 54b476902c9d88860526f55dbdb3aea8 [0,1,1,0,0,0|0,0,2]=4 1982 B13R1.17 C#CCNC(C)c1ccc(nc1)F 06361fd1c66160368605caef07c81929 [0,1,1,0,0,0|0,0,2]=4 1983 B13R1.17 C#CCN[C@@H](C)c1ccc(nc1)C 78e9758c3c4dff12035dfca70c064759 [0,1,1,0,0,0|0,0,2]=4 1984 B13R1.17 C#CCN[C@@H](C)c1ccc(nc1)Cl a41a324e95a3f2f3f66c01b1c4b19f26 [0,1,1,0,0,0|0,0,2]=4 1985 B13R1.17 C#CCN[C@H](C)c1ccc(nc1)C 780fa60d9128506b3eab3c944f55752e [0,1,1,0,0,0|0,0,2]=4 1986 B13R1.17 C#CCN[C@H](C)c1ccc(nc1)Cl 3a3f8f15bbb419e7a31c6c0d32882a61 [0,1,1,0,0,0|0,0,2]=4 1987 B13R1.17 C/C=C/CN(C)c1ccc(nc1)Br 817addd217dfedec93a4a03206eb9492 [0,1,1,0,0,0|2,0,0]=4 1988 B13R1.17 C/C=C/CN(C)c1ccc(nc1)C d3d9dddc833eb3437ca365497a37f7ef [0,1,1,0,0,0|2,0,0]=4 1989 B13R1.17 C/C=C/CN(C)c1ccc(nc1)Cl b64021b9e441b1e02baba472967a10d5 [0,1,1,0,0,0|2,0,0]=4 1990 B13R1.17 C/C=C/CN(C)c1ccc(nc1)F d2de8168fc596d3cc37f24c068d7f191 [0,1,1,0,0,0|2,0,0]=4 1991 B13R1.17 C/C=C\CN(C)c1ccc(nc1)Br 909e1f1483fe1af5838afb06f9ae0749 [0,1,1,0,0,0|2,0,0]=4 1992 B13R1.17 C/C=C\CN(C)c1ccc(nc1)C 9c9d2daffe4ce2a5abca883211040f44 [0,1,1,0,0,0|2,0,0]=4 1993 B13R1.17 C/C=C\CN(C)c1ccc(nc1)Cl 9b6505b9b560d66479c3dd1cad7811cd [0,1,1,0,0,0|2,0,0]=4 1994 B13R1.17 C/C=C\CN(C)c1ccc(nc1)F f85125b3d211c45e4dee9c0b1187245c [0,1,1,0,0,0|2,0,0]=4 1995 B13R1.17 C=CCCN(C)c1ccc(nc1)Br 6130c50b5e873c0b6fa4d9112ffaa765 [0,1,1,0,0,0|2,0,0]=4 1996 B13R1.17 C=CCCN(C)c1ccc(nc1)C 18c0f06d9aadad6adea25dfd177eb4a1 [0,1,1,0,0,0|2,0,0]=4 1997 B13R1.17 C=CCCN(C)c1ccc(nc1)Cl 5e5e121029adc2ae0892d98cfc639d09 [0,1,1,0,0,0|2,0,0]=4 1998 B13R1.17 C=CCCN(C)c1ccc(nc1)F 0cbf2280fff734315c4a860c4c47f988 [0,1,1,0,0,0|2,0,0]=4 1999 B13R1.17 C=CCCN(C)c1ccc(nc1)S da64569ad4e311c1309575a89abedb26 [0,1,1,0,0,0|2,0,0]=4 2000 B13R1.17 C=CCNC(C)c1ccc(cc1)Br f0c9b358f503a512ac5621dd1758bc88 [0,1,1,0,0,0|1,0,0]=3 2001 B13R1.17 C=CCNC(C)c1ccc(cc1)C a6d242d46a8e6a1437c8f350f982e155 [0,1,1,0,0,0|1,0,0]=3 2002 B13R1.17 C=CCNC(C)c1ccc(cc1)Cl 3e9dd259b34b75f572fea7e6382f0be1 [0,1,1,0,0,0|1,0,0]=3 2003 B13R1.17 C=CCNC(C)c1ccc(cc1)F 9c2ee6c0658269058b504223405ea5cf [0,1,1,0,0,0|1,0,0]=3 2004 B13R1.17 C=CCNC(C)c1ccc(cc1)I 3a9fdd0403dee73121c77485fa82f072 [0,1,1,0,0,0|1,0,0]=3 2005 B13R1.17 C=CCNC(C)c1ccc(cn1)Br f434689685c6a3c4515714302beacfff [0,1,1,0,0,0|2,0,0]=4 2006 B13R1.17 C=CCNC(C)c1ccc(cn1)C 9478f2de6c0dce085c2cc5e29cfacef3 [0,1,1,0,0,0|2,0,0]=4 2007 B13R1.17 C=CCNC(C)c1ccc(cn1)Cl 62b5db4e50b892d0d00d6b2ca1fe1a4f [0,1,1,0,0,0|2,0,0]=4 2008 B13R1.17 C=CCNC(C)c1ccc(cn1)F 2e163da4178c34bd1e86bab93c33de6a [0,1,1,0,0,0|2,0,0]=4 2009 B13R1.17 C=CCNC(C)c1ccc(nc1)Br ec39b56ae4b4d0346a2ecde652050aaf [0,1,1,0,0,0|0,0,0]=2 2010 B13R1.17 C=CCNC(C)c1ccc(nc1)C 2f2a44d3adee181d2cf943c7c6533a0e [0,1,1,0,0,0|0,0,0]=2 2011 B13R1.17 C=CCNC(C)c1ccc(nc1)Cl 07fd0cf79867fddbbeabb6db486ed107 [0,1,1,0,0,0|0,0,0]=2 2012 B13R1.17 C=CCNC(C)c1ccc(nc1)F c0879b32958aa19021c0bb93a2b86799 [0,1,1,0,0,0|0,0,0]=2 2013 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)Br b9604b75cfbd7e293485ee38b03017d0 [0,1,1,0,0,0|1,0,0]=3 2014 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)C f5dc05c271e14ee4aef59cf9df3d20a4 [0,1,1,0,0,0|1,0,0]=3 2015 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)Cl 5fe56cba0f60fbce5ddfd4aeb17d424e [0,1,1,0,0,0|1,0,0]=3 2016 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)F 549b9bec539d4f2432601aec4402bf8a [0,1,1,0,0,0|1,0,0]=3 2017 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)I 5202379c3dd3930871d5d5dcd16074ba [0,1,1,0,0,0|1,0,0]=3 2018 B13R1.17 C=CCN[C@@H](C)c1ccc(cn1)Br 4cdc0dc19527182ccf67a0b3824e9f80 [0,1,1,0,0,0|2,0,0]=4 2019 B13R1.17 C=CCN[C@@H](C)c1ccc(cn1)Cl 9cf946902aedfe13c87ab967e90c9370 [0,1,1,0,0,0|2,0,0]=4 2020 B13R1.17 C=CCN[C@@H](C)c1ccc(cn1)F bab69a7f6ff99461ce571a15e61dbb74 [0,1,1,0,0,0|2,0,0]=4 2021 B13R1.17 C=CCN[C@@H](C)c1ccc(nc1)Br 79e97ca153d6063b0339503c5b8d9079 [0,1,1,0,0,0|0,0,0]=2 2022 B13R1.17 C=CCN[C@@H](C)c1ccc(nc1)C 546c454b13df2f6b0a2ab146d03c3292 [0,1,1,0,0,0|0,0,0]=2 2023 B13R1.17 C=CCN[C@@H](C)c1ccc(nc1)Cl cfdf3c7749230dababac92b1982f6393 [0,1,1,0,0,0|0,0,0]=2 2024 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Br 9024a87533f848079fcb60c86198afaa [0,1,1,0,0,0|1,0,0]=3 2025 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C d22c00bf7fd6667178b5fe37d27a952d [0,1,1,0,0,0|1,0,0]=3 2026 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Cl beb49851c59fe691f9b526cf194c7196 [0,1,1,0,0,0|1,0,0]=3 2027 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)F 373a6d1c40ea1309b9c1bdf5a0ba6b43 [0,1,1,0,0,0|1,0,0]=3 2028 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)I 8d0793b054bd6d76529300e262c39c5b [0,1,1,0,0,0|1,0,0]=3 2029 B13R1.17 C=CCN[C@H](C)c1ccc(cn1)Br faf1ab149456ed834b090b77d39a49c8 [0,1,1,0,0,0|2,0,0]=4 2030 B13R1.17 C=CCN[C@H](C)c1ccc(cn1)C e61a90209eb2f17e9cf8ccb9e47af869 [0,1,1,0,0,0|2,0,0]=4 2031 B13R1.17 C=CCN[C@H](C)c1ccc(nc1)Br 06414bf98f3bfe7d8a4edad1fb394001 [0,1,1,0,0,0|0,0,0]=2 2032 B13R1.17 C=CCN[C@H](C)c1ccc(nc1)C 9eb23aed7e06ce62632ad7af4a3674df [0,1,1,0,0,0|0,0,0]=2 2033 B13R1.17 C=CCN[C@H](C)c1ccc(nc1)Cl 51a7c3ed1e488e9da04b56f8a7151163 [0,1,1,0,0,0|0,0,0]=2 2034 B13R1.17 C=CCN[C@H](C)c1cnc(nc1)Cl 115d970c0b0ea8b2df46fcd131e2a9a1 [0,1,1,0,0,0|1,0,0]=3 2035 B13R1.17 C=CCOC(C)c1ccc(cc1)Br e1c6078bda829e5e5218d9f76fa3def0 [0,1,1,0,0,0|2,0,0]=4 2036 B13R1.17 C=CCOC(C)c1ccc(cc1)C 2d8db0752556e91a4efbfeb2ecb16a1c [0,1,1,0,0,0|2,0,0]=4 2037 B13R1.17 C=CCOC(C)c1ccc(cc1)Cl f0c4d63884db45b5b3e3ad86adc1ebac [0,1,1,0,0,0|2,0,0]=4 2038 B13R1.17 C=CCOC(C)c1ccc(cc1)F 2afc1512f72f41bedae01fb8bee5c6ea [0,1,1,0,0,0|2,0,0]=4 2039 B13R1.17 C=CCOC(C)c1ccc(cc1)I f3459a8ad8a59499a949d48dda8c8838 [0,1,1,0,0,0|2,0,0]=4 2040 B13R1.17 C=CCOC(C)c1ccc(nc1)Br 10d11f333da65f1badc10041de40c185 [0,1,1,0,0,0|1,0,0]=3 2041 B13R1.17 C=CCOC(C)c1ccc(nc1)C 7a348a416c5457893e318f755c29d107 [0,1,1,0,0,0|1,0,0]=3 2042 B13R1.17 C=CCOC(C)c1ccc(nc1)Cl f55acc1b9b7cc16134ca618bcaedbb70 [0,1,1,0,0,0|1,0,0]=3 2043 B13R1.17 C=CCOC(C)c1ccc(nc1)F 22ebc5e6274d3c43afec69d8bf807e38 [0,1,1,0,0,0|1,0,0]=3 2044 B13R1.17 C=CCOC(C)c1ccc(nn1)C ad84508797344d182e7e3e38afcb89d7 [0,1,1,0,0,0|2,0,0]=4 2045 B13R1.17 C=CCOC(C)c1cnc(nc1)Cl df3a2cdcc86f1c32ce7c2fe35145a649 [0,1,1,0,0,0|2,0,0]=4 2046 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Br 31d17f02907be329113ca6c1915c25ab [0,1,1,0,0,0|2,0,0]=4 2047 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)C ea50a3f8d9df6d79c35a307e96df79f7 [0,1,1,0,0,0|2,0,0]=4 2048 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl c55751a89c1e16db0ebbb76913260287 [0,1,1,0,0,0|2,0,0]=4 2049 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)F bb7005f861eae92a523f6410c486807d [0,1,1,0,0,0|2,0,0]=4 2050 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)I 1a63a40d7849b05c50b871a977161cbc [0,1,1,0,0,0|2,0,0]=4 2051 B13R1.17 C=CCO[C@@H](C)c1ccc(nc1)Br bf82d3b7d070e6dc5de89a3407c0125c [0,1,1,0,0,0|1,0,0]=3 2052 B13R1.17 C=CCO[C@@H](C)c1ccc(nc1)Cl 4510f1a4a21a3a28b553f91893668c58 [0,1,1,0,0,0|1,0,0]=3 2053 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)Br 1165436439da3968fcb323ac257ddc55 [0,1,1,0,0,0|2,0,0]=4 2054 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C db8e1d34e251535a465e27e80a02b542 [0,1,1,0,0,0|2,0,0]=4 2055 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)Cl d9f40b7cb8757229f9b4b8babdbd34d8 [0,1,1,0,0,0|2,0,0]=4 2056 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)F 5dad7ca21965885d39401be5fceada38 [0,1,1,0,0,0|2,0,0]=4 2057 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)I 7c3ad3d24b847ba52f11cc213ea10c00 [0,1,1,0,0,0|2,0,0]=4 2058 B13R1.17 C=CCO[C@H](C)c1ccc(nc1)Br 42df80d07d18a360062831036d4d7289 [0,1,1,0,0,0|1,0,0]=3 2059 B13R1.17 C=CCO[C@H](C)c1ccc(nc1)Cl dc393e7e2f6760a047ba7fbf4fd94f9b [0,1,1,0,0,0|1,0,0]=3 2060 B13R1.17 CC(NCC#N)c1ccc(nc1)Cl 8a8faaf02f8a1afe1879df950baf4fb0 [0,1,1,0,0,0|1,0,1]=4 2061 B13R1.17 CC(NCC#N)c1ccc(nc1)F e041b8503fda526d2d1d0034393dc73e [0,1,1,0,0,0|1,0,1]=4 2062 B13R1.17 CC(NCC=O)c1ccc(cc1)Br 8b82fe1252aad7e24dd009b628b5bb4d [0,1,1,0,0,0|2,0,0]=4 2063 B13R1.17 CC(NCC=O)c1ccc(cc1)Cl 3365afdf5ac19ab01de44aa94a4faa58 [0,1,1,0,0,0|2,0,0]=4 2064 B13R1.17 CC(NCC=O)c1ccc(cc1)F 8468296440f77dace89b53e7d22b09fe [0,1,1,0,0,0|2,0,0]=4 2065 B13R1.17 CC(NCC=O)c1ccc(cc1)I 0b2c39f38e0b87e63f0772c250f82bbf [0,1,1,0,0,0|2,0,0]=4 2066 B13R1.17 CC(NCC=O)c1ccc(nc1)Br 1d71e07b3330170ceb80ce12be0c4eee [0,1,1,0,0,0|1,0,0]=3 2067 B13R1.17 CC(NCC=O)c1ccc(nc1)Cl 63cc364515d6f42e44e42f8180d544f5 [0,1,1,0,0,0|1,0,0]=3 2068 B13R1.17 CC(NCC=O)c1ccc(nc1)F f15b03d1c38007724815292492c1004d [0,1,1,0,0,0|1,0,0]=3 2069 B13R1.17 CC(NCCF)c1ccc(nc1)Br c08de2db48f72e5678459ba70930cad9 [0,1,1,0,0,0|1,0,1]=4 2070 B13R1.17 CC(NCCF)c1ccc(nc1)Cl 5d6180a2ab5352a1a4a500c0c36a2263 [0,1,1,0,0,0|1,0,1]=4 2071 B13R1.17 CC(NCCF)c1ccc(nc1)F 2d290090bf42acbc7cafd838e104118f [0,1,1,0,0,0|1,0,1]=4 2072 B13R1.17 CC(NCCO)c1ccc(nc1)Br d9a79f2c03c4dcd7d0c7eb0cf1083b76 [0,1,1,0,0,0|1,0,1]=4 2073 B13R1.17 CC(NCCO)c1ccc(nc1)Cl 640d92a55a590d5704002a106535cc86 [0,1,1,0,0,0|1,0,1]=4 2074 B13R1.17 CC(NCCO)c1ccc(nc1)F e45b095cd1e3eed2a7910213e6424463 [0,1,1,0,0,0|1,0,1]=4 2075 B13R1.17 CC(NCCS)c1ccc(nc1)Cl 21486d4ff6888514b8d8732a19502fd9 [0,1,1,0,0,0|1,0,1]=4 2076 B13R1.17 CC(NCCS)c1ccc(nc1)F 58b33041786f53f4911ea0ee595f7281 [0,1,1,0,0,0|1,0,1]=4 2077 B13R1.17 CC(OCC=O)c1ccc(nc1)Br 8d86d028c0cba738875f259c2b1386c0 [0,1,1,0,0,0|2,0,0]=4 2078 B13R1.17 CC(OCC=O)c1ccc(nc1)Cl e91b0055f1cf058d89241ff2c2290a82 [0,1,1,0,0,0|2,0,0]=4 2079 B13R1.17 CC(OCC=O)c1ccc(nc1)F 7fe7f1f78dd28b7e5b015071158b42d3 [0,1,1,0,0,0|2,0,0]=4 2080 B13R1.17 CCCNC(C)c1ccc(nc1)Br 70ce070351883b6ad6ffa4d15bce9807 [0,1,1,0,0,0|0,0,2]=4 2081 B13R1.17 CCCNC(C)c1ccc(nc1)C 56140fd3485132eba263abe2a184d16a [0,1,1,0,0,0|0,0,2]=4 2082 B13R1.17 CCCNC(C)c1ccc(nc1)Cl d1345e2943eeab1bbd4569c3466832d9 [0,1,1,0,0,0|0,0,2]=4 2083 B13R1.17 CCCNC(C)c1ccc(nc1)F 799041d40888527bf93ad4a97d6489dd [0,1,1,0,0,0|0,0,2]=4 2084 B13R1.17 CCCN[C@@H](C)c1ccc(nc1)Br 9b9e1993c3dcffb50d023ad518f7a1b4 [0,1,1,0,0,0|0,0,2]=4 2085 B13R1.17 CCCN[C@@H](C)c1ccc(nc1)C 2d5775e635d4ed1f62cb013e339938de [0,1,1,0,0,0|0,0,2]=4 2086 B13R1.17 CCCN[C@@H](C)c1ccc(nc1)Cl a089e2183a64509708364c189ddf128b [0,1,1,0,0,0|0,0,2]=4 2087 B13R1.17 CCCN[C@H](C)c1ccc(nc1)Br 921833a094297f8811df4bc6cf108775 [0,1,1,0,0,0|0,0,2]=4 2088 B13R1.17 CCCN[C@H](C)c1ccc(nc1)C e1c50de7223990acff63ab70dec9f85a [0,1,1,0,0,0|0,0,2]=4 2089 B13R1.17 CCCN[C@H](C)c1ccc(nc1)Cl 1a5dcd0e1d656ad677cafc12813d8062 [0,1,1,0,0,0|0,0,2]=4 2090 B13R1.17 COCNC(C)c1ccc(nc1)Br ef95b1860523aa8c3c9c2b3d0da41127 [0,1,1,0,0,0|1,0,1]=4 2091 B13R1.17 COCNC(C)c1ccc(nc1)C 4cd9c95205181da710f792e99b9d8d91 [0,1,1,0,0,0|1,0,1]=4 2092 B13R1.17 COCNC(C)c1ccc(nc1)Cl 4b929ef4b4ec9a322e7318293d139589 [0,1,1,0,0,0|1,0,1]=4 2093 B13R1.17 COCNC(C)c1ccc(nc1)F e2cfe3eb8056584e38c37c5b8391a018 [0,1,1,0,0,0|1,0,1]=4 2094 B13R1.17 COCN[C@@H](C)c1ccc(nc1)Br 119ec58ec48e5281665082d9c31a4dd8 [0,1,1,0,0,0|1,0,1]=4 2095 B13R1.17 COCN[C@@H](C)c1ccc(nc1)C c84329bea85cb016e3c7f0f0a3a8982c [0,1,1,0,0,0|1,0,1]=4 2096 B13R1.17 COCN[C@@H](C)c1ccc(nc1)Cl f51b2a52017b24bd2c2e549f71915ca8 [0,1,1,0,0,0|1,0,1]=4 2097 B13R1.17 COCN[C@H](C)c1ccc(nc1)Br bdcb8513e72fad77be3ddcff096bd7ff [0,1,1,0,0,0|1,0,1]=4 2098 B13R1.17 COCN[C@H](C)c1ccc(nc1)C 3c6811b12ba37c3fbf2e673e018a996e [0,1,1,0,0,0|1,0,1]=4 2099 B13R1.17 COCN[C@H](C)c1ccc(nc1)Cl a6c01776bb098e838535f60e381fd069 [0,1,1,0,0,0|1,0,1]=4 2100 B13R1.17 CSCNC(C)c1ccc(nc1)C 6e1a10e97bc1c0502b3296f3586503c8 [0,1,1,0,0,0|1,0,1]=4 2101 B13R1.17 CSCNC(C)c1ccc(nc1)Cl 9bb03fbe45ac23a1bd874c40bb853240 [0,1,1,0,0,0|1,0,1]=4 2102 B13R1.17 CSCNC(C)c1ccc(nc1)F 4b96150de4dd7671fe0fcb6a3b8c4ca2 [0,1,1,0,0,0|1,0,1]=4 2103 B13R1.17 CSCN[C@@H](C)c1ccc(nc1)C 74ca55ed271ec95d50b01c1fbadadaf7 [0,1,1,0,0,0|1,0,1]=4 2104 B13R1.17 CSCN[C@@H](C)c1ccc(nc1)Cl 65a93b7e2f41c1d0cb69d8cafb4c58b6 [0,1,1,0,0,0|1,0,1]=4 2105 B13R1.17 CSCN[C@H](C)c1ccc(nc1)C 9f1a014e46a3ea3e6ae6a75225ef0b5c [0,1,1,0,0,0|1,0,1]=4 2106 B13R1.17 CSCN[C@H](C)c1ccc(nc1)Cl a408583209ce1a0ffd7b0ab70cb06497 [0,1,1,0,0,0|1,0,1]=4 2107 B13R1.17 C[C@@H](NCC#N)c1ccc(nc1)Cl bb0c2a19de503fa66cbaddf3dea4e7b9 [0,1,1,0,0,0|1,0,1]=4 2108 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Br 04b213898c4e02d60885c1c61d18d6ad [0,1,1,0,0,0|2,0,0]=4 2109 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl e518d9622aaac0d77c95689a881ee32a [0,1,1,0,0,0|2,0,0]=4 2110 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)F 29c9895bc66d3d8ea1ee5f573a1ec149 [0,1,1,0,0,0|2,0,0]=4 2111 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)I edcd98af9b37de19b402bfe66f527909 [0,1,1,0,0,0|2,0,0]=4 2112 B13R1.17 C[C@@H](NCC=O)c1ccc(nc1)Br 37991de0a09505e473db2c0a643e4aed [0,1,1,0,0,0|1,0,0]=3 2113 B13R1.17 C[C@@H](NCC=O)c1ccc(nc1)Cl 71fe81abe1cda68d50efaccc8e36c7d9 [0,1,1,0,0,0|1,0,0]=3 2114 B13R1.17 C[C@@H](NCC=O)c1cnc(nc1)Cl a02ee9b18ab4fd0586c453db6551edca [0,1,1,0,0,0|2,0,0]=4 2115 B13R1.17 C[C@@H](NCCF)c1ccc(nc1)Br de939e8c254e2392854e84cd31107249 [0,1,1,0,0,0|1,0,1]=4 2116 B13R1.17 C[C@@H](NCCF)c1ccc(nc1)Cl 62016da5acef1bcb8d8e1bb5d7fe600d [0,1,1,0,0,0|1,0,1]=4 2117 B13R1.17 C[C@@H](NCCO)c1ccc(nc1)Br 5926ee4d6404cc67d96820717f0ff39f [0,1,1,0,0,0|1,0,1]=4 2118 B13R1.17 C[C@@H](NCCO)c1ccc(nc1)Cl 319551fc9157f801b0053a30acb6eb4c [0,1,1,0,0,0|1,0,1]=4 2119 B13R1.17 C[C@@H](NCCS)c1ccc(nc1)Cl 87895944d3ddfd3e77dd6d0537bed950 [0,1,1,0,0,0|1,0,1]=4 2120 B13R1.17 C[C@@H](OCC=O)c1ccc(nc1)Br 0dcbd9f816a83e055212497f1cd610a1 [0,1,1,0,0,0|2,0,0]=4 2121 B13R1.17 C[C@@H](OCC=O)c1ccc(nc1)Cl baeeb03630a52d82fa79dcfa7c2e69e5 [0,1,1,0,0,0|2,0,0]=4 2122 B13R1.17 C[C@H](NCC#N)c1ccc(nc1)Cl e94707432358bf79c9a7c059fbc810cc [0,1,1,0,0,0|1,0,1]=4 2123 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)Br 317a9a61d08df9983a70abd2b7d35413 [0,1,1,0,0,0|2,0,0]=4 2124 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)Cl 2a4a1d13c2edbc649a5072ea9bcadfa5 [0,1,1,0,0,0|2,0,0]=4 2125 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 7eaccb4913f318e70d98cc4bca1a91a4 [0,1,1,0,0,0|2,0,0]=4 2126 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)I 237b7c1d16d77bf7a7f27e7e912659e5 [0,1,1,0,0,0|2,0,0]=4 2127 B13R1.17 C[C@H](NCC=O)c1ccc(nc1)Br 11989c902b782d28135d6d6ada235c82 [0,1,1,0,0,0|1,0,0]=3 2128 B13R1.17 C[C@H](NCC=O)c1ccc(nc1)Cl c038dd31df9b7279112ed2a34a020800 [0,1,1,0,0,0|1,0,0]=3 2129 B13R1.17 C[C@H](NCCF)c1ccc(nc1)Br 144d0bc6f99ac70c6af10e61e66f4ac8 [0,1,1,0,0,0|1,0,1]=4 2130 B13R1.17 C[C@H](NCCF)c1ccc(nc1)Cl 69501826e45afbf810912511c59b344c [0,1,1,0,0,0|1,0,1]=4 2131 B13R1.17 C[C@H](NCCO)c1ccc(nc1)Br 141deeee54d1a5b84886d3aa8e3e875b [0,1,1,0,0,0|1,0,1]=4 2132 B13R1.17 C[C@H](NCCO)c1ccc(nc1)Cl 9c49add0e68f0ce4dcf053bb51024e6c [0,1,1,0,0,0|1,0,1]=4 2133 B13R1.17 C[C@H](NCCS)c1ccc(nc1)Cl 80c10131ca68d13f9330e7a18b1706fe [0,1,1,0,0,0|1,0,1]=4 2134 B13R1.17 C[C@H](OCC=O)c1ccc(nc1)Br 93e2378448182eec2b7bcdf5b9b37d3b [0,1,1,0,0,0|2,0,0]=4 2135 B13R1.17 C[C@H](OCC=O)c1ccc(nc1)Cl 56a20fda78362bce52051ec37adcbfe0 [0,1,1,0,0,0|2,0,0]=4 2136 B13R1.17 Cc1ccc(cc1)C(C)NCC=O 225bc7437c653f2e1e5222777365487c [0,1,1,0,0,0|2,0,0]=4 2137 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 98947799e45a42e7451342a23fe4769c [0,1,1,0,0,0|2,0,0]=4 2138 B13R1.17 Cc1ccc(cc1)[C@H](C)NCC=O cb0872446d8e5305f3bad91146217ac6 [0,1,1,0,0,0|2,0,0]=4 2139 B13R1.17 Cc1ccc(cn1)C(C)NCC#N 86075349d09c83326d45734c028865ed [0,1,1,0,0,0|1,0,1]=4 2140 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 9333bf38d23963614732a3b14589fc7a [0,1,1,0,0,0|1,0,0]=3 2141 B13R1.17 Cc1ccc(cn1)C(C)NCCF 726986de10b7c268916c388b59910f8a [0,1,1,0,0,0|1,0,1]=4 2142 B13R1.17 Cc1ccc(cn1)C(C)NCCO 742a304c6f74107381cbb89a84aa513a [0,1,1,0,0,0|1,0,1]=4 2143 B13R1.17 Cc1ccc(cn1)C(C)NCCS 505338947f832092428ff6ea7c4f78f2 [0,1,1,0,0,0|1,0,1]=4 2144 B13R1.17 Cc1ccc(cn1)C(C)OCC=O aac22394b6712a5c11064bf580574880 [0,1,1,0,0,0|2,0,0]=4 2145 B13R1.17 Cc1ccc(cn1)[C@@H](C)NCC#N 749cce5601141728a7f8e6e17e591c87 [0,1,1,0,0,0|1,0,1]=4 2146 B13R1.17 Cc1ccc(cn1)[C@@H](C)NCC=O b4dc5079c19ab2c3c24959016f4a4853 [0,1,1,0,0,0|1,0,0]=3 2147 B13R1.17 Cc1ccc(cn1)[C@@H](C)NCCF dbb8c8af1b76a36bba1f24bc04ae4bb7 [0,1,1,0,0,0|1,0,1]=4 2148 B13R1.17 Cc1ccc(cn1)[C@@H](C)NCCO 730a840b8cff687bd77ea23d5bc901af [0,1,1,0,0,0|1,0,1]=4 2149 B13R1.17 Cc1ccc(cn1)[C@@H](C)NCCS 27cf88d3d1b7fd518c01af5ef38e98b6 [0,1,1,0,0,0|1,0,1]=4 2150 B13R1.17 Cc1ccc(cn1)[C@H](C)NCC#N c814bedef64a1ad84c54a74369249a5d [0,1,1,0,0,0|1,0,1]=4 2151 B13R1.17 Cc1ccc(cn1)[C@H](C)NCC=O e0dd13cf09f5675aaf81340fe8887937 [0,1,1,0,0,0|1,0,0]=3 2152 B13R1.17 Cc1ccc(cn1)[C@H](C)NCCF ba1073c2c78298ad07d83671447a1064 [0,1,1,0,0,0|1,0,1]=4 2153 B13R1.17 Cc1ccc(cn1)[C@H](C)NCCO a19ea9889a07e39c09db92c35c9b69ab [0,1,1,0,0,0|1,0,1]=4 2154 B13R1.17 Cc1ccc(cn1)[C@H](C)NCCS 3f0f21f1b3aae10813d8b19ee780c68f [0,1,1,0,0,0|1,0,1]=4 2155 B13R1.18 C#CCNC(C)c1cncc(c1)F b12fff6d0a481afe68e7c90a826dc6c3 [0,1,1,0,0,0|0,0,2]=4 2156 B13R1.18 C#CCN[C@@H](C)c1cncc(c1)Cl 1ee8c70b69b0908cc8a4eb855141ea57 [0,1,1,0,0,0|0,0,2]=4 2157 B13R1.18 C#CCN[C@@H](C)c1cncc(c1)F ee28cb67bb42474b5148be68740cb958 [0,1,1,0,0,0|0,0,2]=4 2158 B13R1.18 C#CCN[C@H](C)c1cncc(c1)Cl d26168eb4e40cd7488fe0e150ef4d9d2 [0,1,1,0,0,0|0,0,2]=4 2159 B13R1.18 C/C=C/CN(C)c1cncc(c1)Br 3c3f4a3e5e405e6b544d2d0c9a2dcc5a [0,1,1,0,0,0|2,0,0]=4 2160 B13R1.18 C/C=C/CN(C)c1cncc(c1)C 364ed2047974465ee4fa17a3ec690642 [0,1,1,0,0,0|2,0,0]=4 2161 B13R1.18 C/C=C\CN(C)c1cncc(c1)Br ba97afdccb27f9068c60912fa5799bd3 [0,1,1,0,0,0|2,0,0]=4 2162 B13R1.18 C/C=C\CN(C)c1cncc(c1)C d4c99c45bc17e61c00f189165fde9e49 [0,1,1,0,0,0|2,0,0]=4 2163 B13R1.18 C=CCCN(C)c1cncc(c1)Br e1f08c731eb0da97b788434bf91df2d4 [0,1,1,0,0,0|2,0,0]=4 2164 B13R1.18 C=CCCN(C)c1cncc(c1)C 55f20b42740c3e17207bbdac1dc59195 [0,1,1,0,0,0|2,0,0]=4 2165 B13R1.18 C=CCCN(C)c1cncc(c1)F e13e027c12aab813a83f80f7a44674f7 [0,1,1,0,0,0|2,0,0]=4 2166 B13R1.18 C=CCNC(C)c1cc(ccn1)C f5bb2dc45194d1445abab314f1a9a8c8 [0,1,1,0,0,0|2,0,0]=4 2167 B13R1.18 C=CCNC(C)c1cc(ccn1)Cl 2c9f8869f748cf730e469c383171ec00 [0,1,1,0,0,0|2,0,0]=4 2168 B13R1.18 C=CCNC(C)c1cccc(c1)Br 32776ce8880860ab2da9cd4bd320b48f [0,1,1,0,0,0|1,0,0]=3 2169 B13R1.18 C=CCNC(C)c1cccc(c1)C c006b1d6f391b2bcdc9e6e1c8a789bdb [0,1,1,0,0,0|1,0,0]=3 2170 B13R1.18 C=CCNC(C)c1cccc(c1)Cl bbbdd256c5ad95724fc25c1086f68bbc [0,1,1,0,0,0|1,0,0]=3 2171 B13R1.18 C=CCNC(C)c1cccc(c1)F c24ea5551515238371d73386119913ae [0,1,1,0,0,0|1,0,0]=3 2172 B13R1.18 C=CCNC(C)c1cccc(n1)Br cbd0bfa333823f5dc8986a7e691d0d81 [0,1,1,0,0,0|2,0,0]=4 2173 B13R1.18 C=CCNC(C)c1cccc(n1)C 7f10cd9487337bbcff72dbc26516beee [0,1,1,0,0,0|2,0,0]=4 2174 B13R1.18 C=CCNC(C)c1cccc(n1)Cl 8fd1106558a4b3632e8874ccd99067a2 [0,1,1,0,0,0|2,0,0]=4 2175 B13R1.18 C=CCNC(C)c1cccc(n1)F bb9b50994f0812dc7169190e0c01e9b1 [0,1,1,0,0,0|2,0,0]=4 2176 B13R1.18 C=CCNC(C)c1ccnc(c1)C 6f77606fa1e6eb87910a4dfa8242a9fb [0,1,1,0,0,0|2,0,0]=4 2177 B13R1.18 C=CCNC(C)c1cncc(c1)Br ae69f73233b66198d97a97a33026b3c8 [0,1,1,0,0,0|0,0,0]=2 2178 B13R1.18 C=CCNC(C)c1cncc(c1)F be7363c5e23346dc0d310e0707c86cd3 [0,1,1,0,0,0|0,0,0]=2 2179 B13R1.18 C=CCN[C@@H](C)c1cccc(c1)Br 5877a103d5368847b67adc91d54a5afe [0,1,1,0,0,0|1,0,0]=3 2180 B13R1.18 C=CCN[C@@H](C)c1cccc(c1)C d84908d4bf4e333f524fb6021f9f8b61 [0,1,1,0,0,0|1,0,0]=3 2181 B13R1.18 C=CCN[C@@H](C)c1cccc(c1)Cl 3cb9080c25be7baa99213f25509d4c4f [0,1,1,0,0,0|1,0,0]=3 2182 B13R1.18 C=CCN[C@@H](C)c1cccc(c1)F 738b28a3c7ecfffc5472b415c6904589 [0,1,1,0,0,0|1,0,0]=3 2183 B13R1.18 C=CCN[C@@H](C)c1cccc(c1)I 2a637a84958d83c9f9d25a9e49644a98 [0,1,1,0,0,0|1,0,0]=3 2184 B13R1.18 C=CCN[C@@H](C)c1cccc(n1)Br b88b7b789b8aef6e23c01e90bb07217c [0,1,1,0,0,0|2,0,0]=4 2185 B13R1.18 C=CCN[C@@H](C)c1cccc(n1)C c56a91b1d2b95553a531f20631bbfc57 [0,1,1,0,0,0|2,0,0]=4 2186 B13R1.18 C=CCN[C@@H](C)c1ccnc(c1)C efe1edb6bec264b43d6d3d46b1c0a7db [0,1,1,0,0,0|2,0,0]=4 2187 B13R1.18 C=CCN[C@@H](C)c1ccnc(c1)Cl 3ffa1561a8611193832c4de3e7e9f5f8 [0,1,1,0,0,0|2,0,0]=4 2188 B13R1.18 C=CCN[C@@H](C)c1cncc(c1)Br 6c457a12018cd8fdfa226f37336f0de8 [0,1,1,0,0,0|0,0,0]=2 2189 B13R1.18 C=CCN[C@@H](C)c1cncc(c1)Cl 3a0bd22e8e154040726f2f50ceab41a5 [0,1,1,0,0,0|0,0,0]=2 2190 B13R1.18 C=CCN[C@@H](C)c1cncc(c1)F d649fc6d81acfeff00ae0533d72b5ebf [0,1,1,0,0,0|0,0,0]=2 2191 B13R1.18 C=CCN[C@H](C)c1cccc(c1)Br ef874a629b3cb4eacfbe09c8fa3b0a54 [0,1,1,0,0,0|1,0,0]=3 2192 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C e2cb84155aa5c4316e44b3a3ba56ebc9 [0,1,1,0,0,0|1,0,0]=3 2193 B13R1.18 C=CCN[C@H](C)c1cccc(c1)Cl 5fc3e9ccd86822d32167d5322b2dc771 [0,1,1,0,0,0|1,0,0]=3 2194 B13R1.18 C=CCN[C@H](C)c1cccc(c1)F 329cb05d3ff95191ccd94a718165b6f1 [0,1,1,0,0,0|1,0,0]=3 2195 B13R1.18 C=CCN[C@H](C)c1cccc(n1)Br 548989c06fb43998a37d67f0bb35c719 [0,1,1,0,0,0|2,0,0]=4 2196 B13R1.18 C=CCN[C@H](C)c1ccnc(c1)Br 4fc707d5106bf864d5714ac360b0c0e3 [0,1,1,0,0,0|2,0,0]=4 2197 B13R1.18 C=CCN[C@H](C)c1ccnc(c1)C 499fc273122fc906af59c0c8763636c2 [0,1,1,0,0,0|2,0,0]=4 2198 B13R1.18 C=CCN[C@H](C)c1ccnc(c1)Cl df630e3d1f4544e423cc07970b02c791 [0,1,1,0,0,0|2,0,0]=4 2199 B13R1.18 C=CCN[C@H](C)c1cncc(c1)Br 942dd826d4b2fcb135b2cca98f4d6305 [0,1,1,0,0,0|0,0,0]=2 2200 B13R1.18 C=CCN[C@H](C)c1cncc(c1)Cl bee0e9f941974143217df4c0f16f47ff [0,1,1,0,0,0|0,0,0]=2 2201 B13R1.18 C=CCOC(C)c1cccc(c1)Br 2229e5cb87bc7d193c015bfe1e60a45e [0,1,1,0,0,0|2,0,0]=4 2202 B13R1.18 C=CCOC(C)c1cccc(c1)C 804fb51ec64ade01530c088173c1d175 [0,1,1,0,0,0|2,0,0]=4 2203 B13R1.18 C=CCOC(C)c1cccc(c1)Cl 2ef403a13eb824ab9960d45dfc296dfd [0,1,1,0,0,0|2,0,0]=4 2204 B13R1.18 C=CCOC(C)c1cccc(c1)F ecb1103cdd5346d3c635f40dadda680c [0,1,1,0,0,0|2,0,0]=4 2205 B13R1.18 C=CCOC(C)c1cccc(c1)I 00cadf1f28c3737a715f8b85702477f0 [0,1,1,0,0,0|2,0,0]=4 2206 B13R1.18 C=CCOC(C)c1cncc(c1)Cl 8ea81093fa8194653c418fa690fa4508 [0,1,1,0,0,0|1,0,0]=3 2207 B13R1.18 C=CCOC(C)c1cncc(c1)F 9c8c220f887f2b42d7d8c70434888b76 [0,1,1,0,0,0|1,0,0]=3 2208 B13R1.18 C=CCO[C@@H](C)c1cccc(c1)Br a7e7f3278cb091f433a95584b2fa5c39 [0,1,1,0,0,0|2,0,0]=4 2209 B13R1.18 C=CCO[C@@H](C)c1cccc(c1)C b66754179cf80c5ed0e33c7b14e5cef2 [0,1,1,0,0,0|2,0,0]=4 2210 B13R1.18 C=CCO[C@@H](C)c1cccc(c1)Cl 49af1e678932deafab17d21567ce4cba [0,1,1,0,0,0|2,0,0]=4 2211 B13R1.18 C=CCO[C@@H](C)c1cccc(c1)F 7b91858b7f9a651f7d738c53423766e9 [0,1,1,0,0,0|2,0,0]=4 2212 B13R1.18 C=CCO[C@H](C)c1cccc(c1)Br 321fab594ead035307221065ce44c05e [0,1,1,0,0,0|2,0,0]=4 2213 B13R1.18 C=CCO[C@H](C)c1cccc(c1)C 89fca2c24f6f9b2bb8e4b1d05d9ba5e1 [0,1,1,0,0,0|2,0,0]=4 2214 B13R1.18 C=CCO[C@H](C)c1cccc(c1)Cl 1a6796a4e54508f9af549d81dc1671c1 [0,1,1,0,0,0|2,0,0]=4 2215 B13R1.18 C=CCO[C@H](C)c1cccc(c1)F d9aa0c5d86801449b46f3022224dccb0 [0,1,1,0,0,0|2,0,0]=4 2216 B13R1.18 CC(NCC#N)c1cncc(c1)F 7934b05b406d3c256d66b0cdafedbfd4 [0,1,1,0,0,0|1,0,1]=4 2217 B13R1.18 CC(NCC=O)c1cccc(c1)Br bf7c039a9278b24e0fdba2454441ea99 [0,1,1,0,0,0|2,0,0]=4 2218 B13R1.18 CC(NCC=O)c1cccc(c1)Cl 159b2ffdd3f7a1108c684c122192448d [0,1,1,0,0,0|2,0,0]=4 2219 B13R1.18 CC(NCC=O)c1cccc(c1)F 766f4963a7bc880ad9fa91ae9941a798 [0,1,1,0,0,0|2,0,0]=4 2220 B13R1.18 CC(NCC=O)c1cncc(c1)Br c464428395f44b26339bd849bd6334c6 [0,1,1,0,0,0|1,0,0]=3 2221 B13R1.18 CC(NCC=O)c1cncc(c1)F 0086491671ba7bba6db8cf40fe827220 [0,1,1,0,0,0|1,0,0]=3 2222 B13R1.18 CC(NCCF)c1cncc(c1)F faeb875d222daf6e1ad8337222162293 [0,1,1,0,0,0|1,0,1]=4 2223 B13R1.18 CC(NCCO)c1cncc(c1)F f0ddbf483c8563de4ba78fdf398e4ef4 [0,1,1,0,0,0|1,0,1]=4 2224 B13R1.18 CC(NCCS)c1cncc(c1)F cc4b34ffb7d751e4b4035a6f9ce18d02 [0,1,1,0,0,0|1,0,1]=4 2225 B13R1.18 CC(OCC=O)c1cncc(c1)Cl 809914f4d1e087af6a185070ab2541bb [0,1,1,0,0,0|2,0,0]=4 2226 B13R1.18 CC(OCC=O)c1cncc(c1)F 72728fe650e86ab186ef7049bc13c73d [0,1,1,0,0,0|2,0,0]=4 2227 B13R1.18 CCCNC(C)c1cncc(c1)F ad2b780541c38f2b1628c8bac1b11300 [0,1,1,0,0,0|0,0,2]=4 2228 B13R1.18 CCCN[C@@H](C)c1cncc(c1)Cl 84d21b2fa478a729faf4ee42231ab87c [0,1,1,0,0,0|0,0,2]=4 2229 B13R1.18 CCCN[C@@H](C)c1cncc(c1)F c4b77eaa38fa421c10bb6884c4fb8fb8 [0,1,1,0,0,0|0,0,2]=4 2230 B13R1.18 CCCN[C@H](C)c1cncc(c1)Cl 4ce0782ce70dc3a905686a58615b9844 [0,1,1,0,0,0|0,0,2]=4 2231 B13R1.18 COCNC(C)c1cncc(c1)Br cc779c825cb3952e9868f35c5f4f6866 [0,1,1,0,0,0|1,0,1]=4 2232 B13R1.18 COCNC(C)c1cncc(c1)F 78179aaba198f9e7770950fe42bfa58c [0,1,1,0,0,0|1,0,1]=4 2233 B13R1.18 COCN[C@@H](C)c1cncc(c1)Br 285c568ac223e0c8d56cd57c438aa06a [0,1,1,0,0,0|1,0,1]=4 2234 B13R1.18 COCN[C@@H](C)c1cncc(c1)Cl a70d412fa25fd0fb68a97e7afdb91b03 [0,1,1,0,0,0|1,0,1]=4 2235 B13R1.18 COCN[C@@H](C)c1cncc(c1)F ff1ac9413e38eba332c3ae38cb46b6cf [0,1,1,0,0,0|1,0,1]=4 2236 B13R1.18 COCN[C@H](C)c1cncc(c1)Br 42d506956663654f244cb6e95897e3a7 [0,1,1,0,0,0|1,0,1]=4 2237 B13R1.18 COCN[C@H](C)c1cncc(c1)Cl 256b4d0287d75702d832c27ddb78e001 [0,1,1,0,0,0|1,0,1]=4 2238 B13R1.18 CSCNC(C)c1cncc(c1)F b60f13f38cb348d17b58164c7f73d4f7 [0,1,1,0,0,0|1,0,1]=4 2239 B13R1.18 CSCN[C@@H](C)c1cncc(c1)Cl 56deb58eeca66f54460c92e52c5210b7 [0,1,1,0,0,0|1,0,1]=4 2240 B13R1.18 CSCN[C@@H](C)c1cncc(c1)F 3e6f74cb3a48c80a95f09ab4634b2046 [0,1,1,0,0,0|1,0,1]=4 2241 B13R1.18 CSCN[C@H](C)c1cncc(c1)Cl e91c8a917cb0f77297a693b00d68e5b9 [0,1,1,0,0,0|1,0,1]=4 2242 B13R1.18 C[C@@H](NCC#N)c1cncc(c1)Cl ba44f33b7df8aeffa5fca0c597eb049c [0,1,1,0,0,0|1,0,1]=4 2243 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)Br 7585b73307b55520b7abca6f60ee7ec1 [0,1,1,0,0,0|2,0,0]=4 2244 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)Cl 943b3a7d938af5a40c8e61ea0b7785a7 [0,1,1,0,0,0|2,0,0]=4 2245 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)F 635e3501101e65882dc693339df207ae [0,1,1,0,0,0|2,0,0]=4 2246 B13R1.18 C[C@@H](NCC=O)c1cncc(c1)Br 26dd1e0fa04939cc23da9359a4a753d1 [0,1,1,0,0,0|1,0,0]=3 2247 B13R1.18 C[C@@H](NCC=O)c1cncc(c1)Cl 091a6177dcb0848b4847a0c1a735fe39 [0,1,1,0,0,0|1,0,0]=3 2248 B13R1.18 C[C@@H](NCCF)c1cncc(c1)Cl 0aa4bf64a0863b82fef31b6cd21e5bba [0,1,1,0,0,0|1,0,1]=4 2249 B13R1.18 C[C@@H](NCCO)c1cncc(c1)Cl bb35d6ab7c8812d2f5d38e4bf44ac50a [0,1,1,0,0,0|1,0,1]=4 2250 B13R1.18 C[C@@H](NCCS)c1cncc(c1)Cl a844dc330ddbb8f122b69085ec486027 [0,1,1,0,0,0|1,0,1]=4 2251 B13R1.18 C[C@H](NCC#N)c1cncc(c1)Cl 737115d4388356842ee7d7fbe319c923 [0,1,1,0,0,0|1,0,1]=4 2252 B13R1.18 C[C@H](NCC#N)c1cncc(c1)F 14f6fd32f48e28b9c500504927ab1c3c [0,1,1,0,0,0|1,0,1]=4 2253 B13R1.18 C[C@H](NCC=O)c1cccc(c1)Br 87b01cc74f05a3893e71544cc689d26d [0,1,1,0,0,0|2,0,0]=4 2254 B13R1.18 C[C@H](NCC=O)c1cccc(c1)Cl 3b70e3c475386d638a8795b1911404ed [0,1,1,0,0,0|2,0,0]=4 2255 B13R1.18 C[C@H](NCC=O)c1cccc(c1)F 61ba9137cf86c0a9b8cac736a40fa87f [0,1,1,0,0,0|2,0,0]=4 2256 B13R1.18 C[C@H](NCC=O)c1cccc(c1)I eb6f5288907312ef0fbd5fd0e7fddd25 [0,1,1,0,0,0|2,0,0]=4 2257 B13R1.18 C[C@H](NCC=O)c1cncc(c1)Br cfe491631343d923971ec6d2ab24dd37 [0,1,1,0,0,0|1,0,0]=3 2258 B13R1.18 C[C@H](NCC=O)c1cncc(c1)Cl 9dc103903c34715b35bcf8a8d91e95be [0,1,1,0,0,0|1,0,0]=3 2259 B13R1.18 C[C@H](NCC=O)c1cncc(c1)F 9e04f00612f8ba1aaae387c56c19f835 [0,1,1,0,0,0|1,0,0]=3 2260 B13R1.18 C[C@H](NCCF)c1cncc(c1)Cl da892cfb6b1ae9abb4163b81adc29a02 [0,1,1,0,0,0|1,0,1]=4 2261 B13R1.18 C[C@H](NCCF)c1cncc(c1)F eb331aaf64461e8d44a53ce3ebfdc416 [0,1,1,0,0,0|1,0,1]=4 2262 B13R1.18 C[C@H](NCCO)c1cncc(c1)Cl d1358a7c067e9d3619dde782603ebb05 [0,1,1,0,0,0|1,0,1]=4 2263 B13R1.18 C[C@H](NCCO)c1cncc(c1)F 890df97866e27703b3c2ad8c4cbd3aea [0,1,1,0,0,0|1,0,1]=4 2264 B13R1.18 C[C@H](NCCS)c1cncc(c1)Cl 43c788de1f5efea039fe6a2c7a957d95 [0,1,1,0,0,0|1,0,1]=4 2265 B13R1.18 C[C@H](NCCS)c1cncc(c1)F 4ec2953e7efb1c7800bdd0fc73e5e745 [0,1,1,0,0,0|1,0,1]=4 2266 B13R1.18 Cc1cccc(c1)C(C)NCC=O 5c9a3c94a3733a00b1e7a8f68f89590e [0,1,1,0,0,0|2,0,0]=4 2267 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 9fb429d85973c744c5457992810359da [0,1,1,0,0,0|2,0,0]=4 2268 B13R1.18 Cc1cccc(c1)[C@H](C)NCC=O b81e1281486125e9a194117d2027225d [0,1,1,0,0,0|2,0,0]=4 2269 B13R1.45 C/C(=C/CN(C)c1cccnc1)/I 990cb19adb79b71a6a03c76da4893808 [0,1,1,0,0,0|2,0,0]=4 2270 B13R1.45 C/C(=C\CN(C)c1cccnc1)/Cl 47a402e10d2fd3627c3cd98cba397cde [0,1,1,0,0,0|2,0,0]=4 2271 B13R1.45 C=C(Br)CNC(=O)c1cccnc1 f9b4a9cb0068ea1c3118dfbad3e1c611 [0,1,1,0,0,0|1,0,1]=4 2272 B13R1.45 C=C(Br)CNC(C)c1ccccc1 fd1134547044360393bac2a39d833774 [0,1,1,0,0,0|1,0,0]=3 2273 B13R1.45 C=C(Br)CNC(C)c1ccccn1 84c6d6432cb441d7ec0181cec8068e3c [0,1,1,0,0,0|2,0,0]=4 2274 B13R1.45 C=C(Br)CNC(C)c1cccnc1 9b3cb332afecf1344fd24729461567ca [0,1,1,0,0,0|0,0,0]=2 2275 B13R1.45 C=C(Br)CNC(C)c1cccnn1 85d406aeeb8355c544258ea0d507df8c [0,1,1,0,0,0|1,0,0]=3 2276 B13R1.45 C=C(Br)CNC(C)c1ccncc1 c7e1fe568b68c9603d10122c2b6e054f [0,1,1,0,0,0|2,0,0]=4 2277 B13R1.45 C=C(Br)CNC(C)c1ccnnc1 26572e6938fe93d182f566c28ac52ab9 [0,1,1,0,0,0|1,0,0]=3 2278 B13R1.45 C=C(Br)CNC(C)c1cnccn1 fa954c6d1b71616d2961727eacdb4da1 [0,1,1,0,0,0|1,0,0]=3 2279 B13R1.45 C=C(Br)CNC(C)c1cncnc1 9c2e730c70612ac5fe31a33af8a30c47 [0,1,1,0,0,0|1,0,0]=3 2280 B13R1.45 C=C(Br)CN[C@@H](C)c1ccccc1 88b127c7b109096d8a54e2c38cd773c3 [0,1,1,0,0,0|1,0,0]=3 2281 B13R1.45 C=C(Br)CN[C@@H](C)c1ccccn1 e9226baf8a705e8b597bc40383c8cfb7 [0,1,1,0,0,0|2,0,0]=4 2282 B13R1.45 C=C(Br)CN[C@@H](C)c1cccnc1 45f26d602f2582df01d8bb3b0287a292 [0,1,1,0,0,0|0,0,0]=2 2283 B13R1.45 C=C(Br)CN[C@@H](C)c1ccncc1 56fed2abe8d4c220ddd96c8f828371c0 [0,1,1,0,0,0|2,0,0]=4 2284 B13R1.45 C=C(Br)CN[C@@H](C)c1cncnc1 c1398a2b17ccd85b0bbade0d3831bd3c [0,1,1,0,0,0|1,0,0]=3 2285 B13R1.45 C=C(Br)CN[C@H](C)c1ccccc1 6186a9a77bc1e27a8f8694c1e632e04a [0,1,1,0,0,0|1,0,0]=3 2286 B13R1.45 C=C(Br)CN[C@H](C)c1ccccn1 67414619d94187b6045713b0d276e060 [0,1,1,0,0,0|2,0,0]=4 2287 B13R1.45 C=C(Br)CN[C@H](C)c1cccnc1 891e9fa25d9067e5005c3f6048495c64 [0,1,1,0,0,0|0,0,0]=2 2288 B13R1.45 C=C(Br)CN[C@H](C)c1ccncc1 971f6b8f7a1c43727d610f2211d5d83d [0,1,1,0,0,0|2,0,0]=4 2289 B13R1.45 C=C(Br)CN[C@H](C)c1cncnc1 f3263a0cc12b53f08f7acf0091c5ab10 [0,1,1,0,0,0|1,0,0]=3 2290 B13R1.45 C=C(Br)COC(C)c1ccccc1 760abc4774430526318bd3a8a2163c18 [0,1,1,0,0,0|2,0,0]=4 2291 B13R1.45 C=C(Br)COC(C)c1cccnc1 570b671dd2337cd48a2f7baeb2a1ba70 [0,1,1,0,0,0|1,0,0]=3 2292 B13R1.45 C=C(Br)COC(C)c1cccnn1 51060fa595b76c9c2c3be0bf7375c6ee [0,1,1,0,0,0|2,0,0]=4 2293 B13R1.45 C=C(Br)COC(C)c1cnccn1 8de085080fb6d5a3a3344502f794d46d [0,1,1,0,0,0|2,0,0]=4 2294 B13R1.45 C=C(Br)CO[C@@H](C)c1ccccc1 05d1342ad2572d4ed944f8a92a67222f [0,1,1,0,0,0|2,0,0]=4 2295 B13R1.45 C=C(Br)CO[C@@H](C)c1cccnc1 606f49c097d4d3a8656b666684428e2a [0,1,1,0,0,0|1,0,0]=3 2296 B13R1.45 C=C(Br)CO[C@@H](C)c1cnccn1 ff369ebc1be74590aa2a7ec29e479317 [0,1,1,0,0,0|2,0,0]=4 2297 B13R1.45 C=C(Br)CO[C@H](C)c1ccccc1 609abf6f13dd28a6d3f0e581ae751c64 [0,1,1,0,0,0|2,0,0]=4 2298 B13R1.45 C=C(Br)CO[C@H](C)c1cccnc1 398a8c61256b81ae176692812a20a026 [0,1,1,0,0,0|1,0,0]=3 2299 B13R1.45 C=C(Br)CO[C@H](C)c1cccnn1 cad3ecb98faf09354da9c0d27b403a50 [0,1,1,0,0,0|2,0,0]=4 2300 B13R1.45 C=C(Br)CO[C@H](C)c1cnccn1 781c9fc32c1dd4d7d9ab12200123a86d [0,1,1,0,0,0|2,0,0]=4 2301 B13R1.45 C=C(C)CCN(C)c1cccnc1 9f1a39d9d6f636de67963421923da89a [0,1,1,0,0,0|2,0,0]=4 2302 B13R1.45 C=C(C)CNC(=O)c1cccnc1 8736572b24b95772b0d74261fd99973d [0,1,1,0,0,0|1,0,1]=4 2303 B13R1.45 C=C(C)CNC(C)c1ccccc1 96a07a0b01f7d27a0605cdf3e961a39d [0,1,1,0,0,0|1,0,0]=3 2304 B13R1.45 C=C(C)CNC(C)c1ccccn1 0a6615accd775fc021800fb0551990d8 [0,1,1,0,0,0|2,0,0]=4 2305 B13R1.45 C=C(C)CNC(C)c1cccnc1 cc7c4370bde2abc5ad45cedaa10baf18 [0,1,1,0,0,0|0,0,0]=2 2306 B13R1.45 C=C(C)CNC(C)c1cccnn1 2d45be724a357c19abb4995b19d143a9 [0,1,1,0,0,0|1,0,0]=3 2307 B13R1.45 C=C(C)CNC(C)c1ccncc1 0d4a3d5bc67a8f3c605b449f5dfb5f56 [0,1,1,0,0,0|2,0,0]=4 2308 B13R1.45 C=C(C)CNC(C)c1ccnnc1 6a011877dc4d5dec722f144f78013d98 [0,1,1,0,0,0|1,0,0]=3 2309 B13R1.45 C=C(C)CNC(C)c1cnccn1 dfc870ddac2d1d45629617dafecd18b2 [0,1,1,0,0,0|1,0,0]=3 2310 B13R1.45 C=C(C)CNC(C)c1cncnc1 9ef9ebd1049227f72683fab9d82e62eb [0,1,1,0,0,0|1,0,0]=3 2311 B13R1.45 C=C(C)CN[C@@H](C)c1ccccc1 f509ab942fa31eca8f7b10abc4c30b1a [0,1,1,0,0,0|1,0,0]=3 2312 B13R1.45 C=C(C)CN[C@@H](C)c1ccccn1 304bede64ee3902429c0f874cc8df5b2 [0,1,1,0,0,0|2,0,0]=4 2313 B13R1.45 C=C(C)CN[C@@H](C)c1cccnc1 79ee75b5f221a5d3f828247102d85e03 [0,1,1,0,0,0|0,0,0]=2 2314 B13R1.45 C=C(C)CN[C@@H](C)c1ccncc1 a11bf5a7616f018af1b1920c52e3e1bb [0,1,1,0,0,0|2,0,0]=4 2315 B13R1.45 C=C(C)CN[C@@H](C)c1cncnc1 6d4885fe26731996238760dda3aae0f8 [0,1,1,0,0,0|1,0,0]=3 2316 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 549a94c91eb031892c4cbe73a28b64c5 [0,1,1,0,0,0|1,0,0]=3 2317 B13R1.45 C=C(C)CN[C@H](C)c1ccccn1 381b1e13e5a24cd47ec5a5be87471d48 [0,1,1,0,0,0|2,0,0]=4 2318 B13R1.45 C=C(C)CN[C@H](C)c1cccnc1 822f51b38f8446ca535afdfe2d11167b [0,1,1,0,0,0|0,0,0]=2 2319 B13R1.45 C=C(C)CN[C@H](C)c1ccncc1 7ab9a42ce5d54199f5c48f3a42414cd3 [0,1,1,0,0,0|2,0,0]=4 2320 B13R1.45 C=C(C)CN[C@H](C)c1cncnc1 91fef279e18c2da7a6ab74fa20661b2e [0,1,1,0,0,0|1,0,0]=3 2321 B13R1.45 C=C(C)COC(C)c1ccccc1 e61df747fd27049a942457d909826b12 [0,1,1,0,0,0|2,0,0]=4 2322 B13R1.45 C=C(C)COC(C)c1cccnc1 b5cb22cd0b0947f41e0b4a65e04d136c [0,1,1,0,0,0|1,0,0]=3 2323 B13R1.45 C=C(C)COC(C)c1cccnn1 5c1a47fef7cb355301cc60ab68ad2a21 [0,1,1,0,0,0|2,0,0]=4 2324 B13R1.45 C=C(C)COC(C)c1cnccn1 b315879333642071a411752e29a0519a [0,1,1,0,0,0|2,0,0]=4 2325 B13R1.45 C=C(C)COC(C)c1cncnc1 06b9e5d073b6041210cbe0061ce659b0 [0,1,1,0,0,0|2,0,0]=4 2326 B13R1.45 C=C(C)CO[C@@H](C)c1ccccc1 c178b66be30696ed9c05998b7e583b0e [0,1,1,0,0,0|2,0,0]=4 2327 B13R1.45 C=C(C)CO[C@@H](C)c1cccnc1 ca094a2656b2bf96507e4aa60abc8679 [0,1,1,0,0,0|1,0,0]=3 2328 B13R1.45 C=C(C)CO[C@@H](C)c1cnccn1 538d3c3fd686780abc03db4856c06cf0 [0,1,1,0,0,0|2,0,0]=4 2329 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 f3097012c4c792591409151b78a238bc [0,1,1,0,0,0|2,0,0]=4 2330 B13R1.45 C=C(C)CO[C@H](C)c1cccnc1 db2d6a35916c30dc486e5905c575fdcc [0,1,1,0,0,0|1,0,0]=3 2331 B13R1.45 C=C(C)CO[C@H](C)c1cccnn1 f910ef92521929069dab83dace00556e [0,1,1,0,0,0|2,0,0]=4 2332 B13R1.45 C=C(C)CO[C@H](C)c1cnccn1 ecba74eb4353bf673e5385bbeeecbdec [0,1,1,0,0,0|2,0,0]=4 2333 B13R1.45 C=C(Cl)CNC(C)c1ccccc1 2bbd41968a3394065eeefd3226d96470 [0,1,1,0,0,0|1,0,0]=3 2334 B13R1.45 C=C(Cl)CNC(C)c1ccccn1 b2776959e797eebcf90eba228d984869 [0,1,1,0,0,0|2,0,0]=4 2335 B13R1.45 C=C(Cl)CNC(C)c1cccnc1 a8acd8b9001e232b08aa3cfb4df26240 [0,1,1,0,0,0|0,0,0]=2 2336 B13R1.45 C=C(Cl)CNC(C)c1cccnn1 549abfc7f6a57d3a9d7f55df39831ed8 [0,1,1,0,0,0|1,0,0]=3 2337 B13R1.45 C=C(Cl)CNC(C)c1ccncc1 66f99ee8387cc83fed547d6b6ef82b5e [0,1,1,0,0,0|2,0,0]=4 2338 B13R1.45 C=C(Cl)CNC(C)c1ccnnc1 d65d418d0f57ee0373ccc219a47318f4 [0,1,1,0,0,0|1,0,0]=3 2339 B13R1.45 C=C(Cl)CNC(C)c1cnccn1 94e510240f2abf512644aaa3a44df497 [0,1,1,0,0,0|1,0,0]=3 2340 B13R1.45 C=C(Cl)CNC(C)c1cncnc1 c2f3d17943af24cad8b494e62b815955 [0,1,1,0,0,0|1,0,0]=3 2341 B13R1.45 C=C(Cl)CN[C@@H](C)c1ccccc1 8706877175e037776e4f48fc19f187d5 [0,1,1,0,0,0|1,0,0]=3 2342 B13R1.45 C=C(Cl)CN[C@@H](C)c1ccccn1 0913b2e7c06550492dd011efd9c2be14 [0,1,1,0,0,0|2,0,0]=4 2343 B13R1.45 C=C(Cl)CN[C@@H](C)c1cccnc1 b540a9bef69ad208db7b46492f7da3fa [0,1,1,0,0,0|0,0,0]=2 2344 B13R1.45 C=C(Cl)CN[C@@H](C)c1ccncc1 b3bcf1875c6604dc3af47b9be6918a09 [0,1,1,0,0,0|2,0,0]=4 2345 B13R1.45 C=C(Cl)CN[C@@H](C)c1cncnc1 c150afef7fa336564fea98b5e9309eaf [0,1,1,0,0,0|1,0,0]=3 2346 B13R1.45 C=C(Cl)CN[C@H](C)c1ccccc1 69cabc53ec1cc33a0b2c8f1510b69cfa [0,1,1,0,0,0|1,0,0]=3 2347 B13R1.45 C=C(Cl)CN[C@H](C)c1ccccn1 d621b02ed12677b4a7ecbd7595ed6606 [0,1,1,0,0,0|2,0,0]=4 2348 B13R1.45 C=C(Cl)CN[C@H](C)c1cccnc1 9be1d1c0e656b0211d74bd423e0995ae [0,1,1,0,0,0|0,0,0]=2 2349 B13R1.45 C=C(Cl)CN[C@H](C)c1ccncc1 04176a818bcdc809c63ce3ce060512de [0,1,1,0,0,0|2,0,0]=4 2350 B13R1.45 C=C(Cl)CN[C@H](C)c1cncnc1 9e45ca78b1224c42dbc59017ecca9cba [0,1,1,0,0,0|1,0,0]=3 2351 B13R1.45 C=C(Cl)COC(C)c1ccccc1 3665ebe6f640f8044ca8f898d0d01495 [0,1,1,0,0,0|2,0,0]=4 2352 B13R1.45 C=C(Cl)COC(C)c1cccnc1 aefec1dda8f4d88f0926726955c60353 [0,1,1,0,0,0|1,0,0]=3 2353 B13R1.45 C=C(Cl)COC(C)c1cccnn1 2be8cfb8bce2f034396d30cfdb52a35a [0,1,1,0,0,0|2,0,0]=4 2354 B13R1.45 C=C(Cl)COC(C)c1cnccn1 ef71fe47460166aefdc3b499753d2aff [0,1,1,0,0,0|2,0,0]=4 2355 B13R1.45 C=C(Cl)CO[C@@H](C)c1ccccc1 823489f158d1dc5133b885f8bd615ab1 [0,1,1,0,0,0|2,0,0]=4 2356 B13R1.45 C=C(Cl)CO[C@@H](C)c1cccnc1 b03b8f3f68385e2bcb81298bd5739d49 [0,1,1,0,0,0|1,0,0]=3 2357 B13R1.45 C=C(Cl)CO[C@@H](C)c1cnccn1 6c4b681b5ef32fe540e649fa30f43a45 [0,1,1,0,0,0|2,0,0]=4 2358 B13R1.45 C=C(Cl)CO[C@H](C)c1ccccc1 b1d5bcfe2c9513c7e8d9658cd0c15128 [0,1,1,0,0,0|2,0,0]=4 2359 B13R1.45 C=C(Cl)CO[C@H](C)c1cccnc1 025361e401e74be1018b2aebead4ec81 [0,1,1,0,0,0|1,0,0]=3 2360 B13R1.45 C=C(Cl)CO[C@H](C)c1cccnn1 716cd7e30650b32bf678732bb6c75314 [0,1,1,0,0,0|2,0,0]=4 2361 B13R1.45 C=C(Cl)CO[C@H](C)c1cnccn1 6b1b1a81d1210a8fa61efd858581aea1 [0,1,1,0,0,0|2,0,0]=4 2362 B13R1.45 C=C(F)CNC(C)c1ccccn1 5ed1e3ee63165d705a01a3232f8955f3 [0,1,1,0,0,0|2,0,0]=4 2363 B13R1.45 C=C(F)CNC(C)c1cccnc1 f7bc661f1bf6660cdc2193d9c2994b74 [0,1,1,0,0,0|0,0,0]=2 2364 B13R1.45 C=C(F)CNC(C)c1cccnn1 6c0c83e9200d1e770180db5159fa6e2f [0,1,1,0,0,0|1,0,0]=3 2365 B13R1.45 C=C(F)CNC(C)c1ccncc1 5f95833ebd471b4c88b71e7165c92e00 [0,1,1,0,0,0|2,0,0]=4 2366 B13R1.45 C=C(F)CNC(C)c1ccnnc1 935ebf2fba1c9928b8577884c2226428 [0,1,1,0,0,0|1,0,0]=3 2367 B13R1.45 C=C(F)CNC(C)c1cnccn1 f8469000ab0ca30b78af7a97e04d2bc3 [0,1,1,0,0,0|1,0,0]=3 2368 B13R1.45 C=C(F)CNC(C)c1cncnc1 7c28743f62c351cf88d84edae3cbf89b [0,1,1,0,0,0|1,0,0]=3 2369 B13R1.45 C=C(F)CN[C@@H](C)c1ccccn1 20e1dd008540ee5e978c22628e44fe98 [0,1,1,0,0,0|2,0,0]=4 2370 B13R1.45 C=C(F)CN[C@@H](C)c1cccnc1 9356ea232aab570d1ebc2c1bd4ed4ab1 [0,1,1,0,0,0|0,0,0]=2 2371 B13R1.45 C=C(F)CN[C@@H](C)c1ccncc1 884372f17a58ea7dc4e14e34050f53bf [0,1,1,0,0,0|2,0,0]=4 2372 B13R1.45 C=C(F)CN[C@@H](C)c1cncnc1 f9dc9308bcb19caf6025c33b57d72bff [0,1,1,0,0,0|1,0,0]=3 2373 B13R1.45 C=C(F)CN[C@H](C)c1ccccn1 be704a9c6131b00aaf2f3fc52311e3fc [0,1,1,0,0,0|2,0,0]=4 2374 B13R1.45 C=C(F)CN[C@H](C)c1cccnc1 30ea298e45df5c4d46d70033b4b754d4 [0,1,1,0,0,0|0,0,0]=2 2375 B13R1.45 C=C(F)CN[C@H](C)c1ccncc1 fc20d8345f1ecd2bf870c7eed78dcb1f [0,1,1,0,0,0|2,0,0]=4 2376 B13R1.45 C=C(F)CN[C@H](C)c1cncnc1 a3715377d1656defc5b155a5e46db978 [0,1,1,0,0,0|1,0,0]=3 2377 B13R1.45 C=C(F)COC(C)c1cccnc1 e0f7218d0cb2a12eecf6d5a2fae308cd [0,1,1,0,0,0|1,0,0]=3 2378 B13R1.45 C=C(F)COC(C)c1cccnn1 7aaefee5230380a3b71d0467ab8d180d [0,1,1,0,0,0|2,0,0]=4 2379 B13R1.45 C=C(F)COC(C)c1cnccn1 2c14ce5c1cd8b3cb3b8f7300af7f4e8b [0,1,1,0,0,0|2,0,0]=4 2380 B13R1.45 C=C(F)CO[C@@H](C)c1cccnc1 66cae35b1a656221b81aea0023b495a1 [0,1,1,0,0,0|1,0,0]=3 2381 B13R1.45 C=C(F)CO[C@@H](C)c1cnccn1 9014c5d28d7d6a634c11e2d6828e34ed [0,1,1,0,0,0|2,0,0]=4 2382 B13R1.45 C=C(F)CO[C@H](C)c1cccnc1 08de90c49a2be1d8aa925acce5ba2b3e [0,1,1,0,0,0|1,0,0]=3 2383 B13R1.45 C=C(F)CO[C@H](C)c1cccnn1 9d5b530ead33466c1edaa520e2415c8e [0,1,1,0,0,0|2,0,0]=4 2384 B13R1.45 C=C(F)CO[C@H](C)c1cnccn1 79ed1aa018e63c950d0b717f902c7b3b [0,1,1,0,0,0|2,0,0]=4 2385 B13R1.45 CC(=CCN(C)c1cccnc1)C fef674e7e8c70c3beeda26784f87919a [0,1,1,0,0,0|2,0,0]=4 2386 B13R1.45 CC(=CCN(C)c1cccnc1)Cl 3ea66e222e6e74a5c2daad1426fd4961 [0,1,1,0,0,0|2,0,0]=4 2387 B13R1.45 CC(=CCN(C)c1cccnc1)I 7a52e76f30156349f7b330e1dd76a6e5 [0,1,1,0,0,0|2,0,0]=4 2388 B13R1.45 CC(=O)NCC(O)c1cccnc1 432a247dfbe746a7d6c7c86aec2b6614 [0,1,1,0,0,0|2,0,0]=4 2389 B13R1.45 CC(C)CNC(C)c1cccnc1 ddddc74aaaf27589d3834f34e01f91fb [0,1,1,0,0,0|0,0,2]=4 2390 B13R1.45 CC(C)CN[C@@H](C)c1cccnc1 067d81c2619d84e7559eaf4e6a53c681 [0,1,1,0,0,0|0,0,2]=4 2391 B13R1.45 CC(C)CN[C@H](C)c1cccnc1 8cbf6c02ed1bae196728d9b44322419d [0,1,1,0,0,0|0,0,2]=4 2392 B13R1.45 CC(NCC(=O)N)c1ccccc1 1e207293833f60b6d2f60b2dd8acada8 [0,1,1,0,0,0|2,0,0]=4 2393 B13R1.45 CC(NCC(=O)N)c1cccnc1 f293af85fb4fb163107dd0fe71f6d88e [0,1,1,0,0,0|1,0,0]=3 2394 B13R1.45 CC(NCC(=O)N)c1cccnn1 f755c477d80845f3d6050232ceb480d1 [0,1,1,0,0,0|2,0,0]=4 2395 B13R1.45 CC(NCC(=O)N)c1ccnnc1 28abb7b0954aa8a951b75358a29a5f6c [0,1,1,0,0,0|2,0,0]=4 2396 B13R1.45 CC(NCC(=O)N)c1cnccn1 86e5b35ee57e2c1bbabdec57eadf79c3 [0,1,1,0,0,0|2,0,0]=4 2397 B13R1.45 CC(NCC(=O)N)c1cncnc1 336c3c3115f5c630473e10b2d9e6b4d3 [0,1,1,0,0,0|2,0,0]=4 2398 B13R1.45 CC(NCC(=O)O)c1ccccc1 6cd1c18d6d7b686116c2e80c73f04289 [0,1,1,0,0,0|2,0,0]=4 2399 B13R1.45 CC(NCC(=O)O)c1cccnc1 804ed073007e17afc9c6e83613b55aa8 [0,1,1,0,0,0|1,0,0]=3 2400 B13R1.45 CC(NCC(=O)O)c1cccnn1 64602fcd4595544fcdd479b80be07d5e [0,1,1,0,0,0|2,0,0]=4 2401 B13R1.45 CC(NCC(=O)O)c1ccnnc1 2889decdfdd3a5470de260af0117314d [0,1,1,0,0,0|2,0,0]=4 2402 B13R1.45 CC(NCC(=O)O)c1cnccn1 ceaf08d274f5e82c0cd064049ef34c4a [0,1,1,0,0,0|2,0,0]=4 2403 B13R1.45 CC(NCC(=O)O)c1cncnc1 3d81afc9538f99ece63ad31fe78da177 [0,1,1,0,0,0|2,0,0]=4 2404 B13R1.45 CC(NCC(F)F)c1cccnc1 aa3a8760185abbadccd10755eec6bf71 [0,1,1,0,0,0|1,0,1]=4 2405 B13R1.45 CC(NCN(C)C)c1cccnc1 e293d42e14e09c6628349a97e35832f9 [0,1,1,0,0,0|1,0,1]=4 2406 B13R1.45 CC(NC[C@H](C)O)c1cccnc1 a802a44c9b8366f5c5c1307e53e4c66a [0,1,1,0,0,0|0,0,2]=4 2407 B13R1.45 CC(NC[N+](=O)[O-])c1cccnc1 a35b73856dabc71f78e0014d52a15a37 [0,1,1,0,0,0|2,0,0]=4 2408 B13R1.45 CC(O)CNC(C)c1cccnc1 5d7068fdc67246e91fa8f43d27d76d41 [0,1,1,0,0,0|0,0,2]=4 2409 B13R1.45 CC(O)CN[C@@H](C)c1cccnc1 2ac667758087ec7e5b05b945009880e3 [0,1,1,0,0,0|0,0,2]=4 2410 B13R1.45 CC(O)CN[C@H](C)c1cccnc1 0ead3d86eaa5470a67e3431e854ef584 [0,1,1,0,0,0|0,0,2]=4 2411 B13R1.45 CC(OCC(=O)N)c1cccnc1 724f3c5cc1b5f5915810661a5b6868fc [0,1,1,0,0,0|2,0,0]=4 2412 B13R1.45 CC(OCC(=O)O)c1cccnc1 d61d2ab168bc0c9819c073282d68ac03 [0,1,1,0,0,0|2,0,0]=4 2413 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 981b7c7875debc63a4764be6c18f5421 [0,1,1,0,0,0|2,0,0]=4 2414 B13R1.45 C[C@@H](NCC(=O)N)c1cccnc1 f2a2ecbfb652cf09fa7fdfcdde0a624e [0,1,1,0,0,0|1,0,0]=3 2415 B13R1.45 C[C@@H](NCC(=O)N)c1cncnc1 1dda43c93395cc4544bffbdc1b1dbbca [0,1,1,0,0,0|2,0,0]=4 2416 B13R1.45 C[C@@H](NCC(=O)O)c1ccccc1 c46367538eb8b3b151e91addfe62caaf [0,1,1,0,0,0|2,0,0]=4 2417 B13R1.45 C[C@@H](NCC(=O)O)c1cccnc1 da064977a24721659f0b033ec82656c0 [0,1,1,0,0,0|1,0,0]=3 2418 B13R1.45 C[C@@H](NCC(=O)O)c1cncnc1 0db4e52a496b2002c7804521df585075 [0,1,1,0,0,0|2,0,0]=4 2419 B13R1.45 C[C@@H](NCC(F)F)c1cccnc1 6d45f58b822406b1ce39d30317460b89 [0,1,1,0,0,0|1,0,1]=4 2420 B13R1.45 C[C@@H](NCN(C)C)c1cccnc1 c7b0f2b91d8a38033d65016e01838e88 [0,1,1,0,0,0|1,0,1]=4 2421 B13R1.45 C[C@@H](NC[N+](=O)[O-])c1cccnc1 83a11842354c7333327a3df4a80f7605 [0,1,1,0,0,0|2,0,0]=4 2422 B13R1.45 C[C@@H](OCC(=O)N)c1cccnc1 e9d87a69336caa20b46826b739da199c [0,1,1,0,0,0|2,0,0]=4 2423 B13R1.45 C[C@@H](OCC(=O)O)c1cccnc1 6c21388e1da69546904a926fdfe7a1f6 [0,1,1,0,0,0|2,0,0]=4 2424 B13R1.45 C[C@H](NCC(=O)N)c1ccccc1 68546e3e7fba0440d102d660d6d8ed03 [0,1,1,0,0,0|2,0,0]=4 2425 B13R1.45 C[C@H](NCC(=O)N)c1cccnc1 812584e95f68df5c4001e1f823cbb592 [0,1,1,0,0,0|1,0,0]=3 2426 B13R1.45 C[C@H](NCC(=O)N)c1cncnc1 235c8127fac206d44b0cc7316e66f18e [0,1,1,0,0,0|2,0,0]=4 2427 B13R1.45 C[C@H](NCC(=O)O)c1ccccc1 d0e3b4bb7bb2fcc1bf9c831e52c7d7b4 [0,1,1,0,0,0|2,0,0]=4 2428 B13R1.45 C[C@H](NCC(=O)O)c1cccnc1 89d2b22f9b01e7956b8db1a7b08e87ce [0,1,1,0,0,0|1,0,0]=3 2429 B13R1.45 C[C@H](NCC(=O)O)c1cncnc1 c3a825407f974e1e20ad5bc11c9b2a51 [0,1,1,0,0,0|2,0,0]=4 2430 B13R1.45 C[C@H](NCC(F)F)c1cccnc1 9738f2089558e73da07bc4b19853a0a6 [0,1,1,0,0,0|1,0,1]=4 2431 B13R1.45 C[C@H](NCN(C)C)c1cccnc1 87f8649439e3511246b1242ff5d0dcce [0,1,1,0,0,0|1,0,1]=4 2432 B13R1.45 C[C@H](NC[N+](=O)[O-])c1cccnc1 b23f15d3113fa50895a68d4a106d0996 [0,1,1,0,0,0|2,0,0]=4 2433 B13R1.45 C[C@H](O)CN[C@@H](C)c1cccnc1 971d935cb427e66ea1fecbfafdf007eb [0,1,1,0,0,0|0,0,2]=4 2434 B13R1.45 C[C@H](O)CN[C@H](C)c1cccnc1 48eb850011f9cdd93998d17088162606 [0,1,1,0,0,0|0,0,2]=4 2435 B13R1.45 C[C@H](OCC(=O)N)c1cccnc1 89d5f93dff12486719f86468d29ae357 [0,1,1,0,0,0|2,0,0]=4 2436 B13R1.45 C[C@H](OCC(=O)O)c1cccnc1 c3df23da5c594db1926f99de76503df5 [0,1,1,0,0,0|2,0,0]=4 2437 B13R1.47 C=CCC(=O)N(C)c1cccnc1 cb29f4e2cefc7bc2937fa172b4a5fd65 [0,1,1,0,0,0|2,0,0]=4 2438 B13R1.47 C=CCN(C)C(=O)c1cccnc1 6cfc464adf79897ff487cf213d775a87 [0,1,1,0,0,0|1,0,1]=4 2439 B13R1.47 C=CCN(C)C(C)c1ccccc1 2e7571f5b5ca85d6c4876254f45feb03 [0,1,1,0,0,0|1,0,0]=3 2440 B13R1.47 C=CCN(C)C(C)c1ccccn1 ad5f78bbbeb6fd3987254147d1f8c5c8 [0,1,1,0,0,0|2,0,0]=4 2441 B13R1.47 C=CCN(C)C(C)c1cccnc1 6c42f60ac4d8af670f3df8b80bc6cf38 [0,1,1,0,0,0|0,0,0]=2 2442 B13R1.47 C=CCN(C)C(C)c1ccncc1 bbe762460b9d64fc6a138dafc95693f4 [0,1,1,0,0,0|2,0,0]=4 2443 B13R1.47 C=CCN(C)[C@@H](C)c1ccccc1 abfaed4bd3a8382009351ac91a7f7b49 [0,1,1,0,0,0|1,0,0]=3 2444 B13R1.47 C=CCN(C)[C@@H](C)c1ccncc1 b99e5919c3136d62a6dfbbd5fb327a6c [0,1,1,0,0,0|2,0,0]=4 2445 B13R1.47 C=CCN(C)[C@H](C)c1ccccc1 1c522a676124aba5b5c92e8f80f81359 [0,1,1,0,0,0|1,0,0]=3 2446 B13R1.47 CC(c1ccccc1)N(C)CC=O 1ce181373083ea400cf0571b778bb4da [0,1,1,0,0,0|2,0,0]=4 2447 B13R1.47 CC(c1cccnc1)N(C)CC#N 53c98ca41a05232b18c582babb41e5c5 [0,1,1,0,0,0|1,0,1]=4 2448 B13R1.47 CC(c1cccnc1)N(C)CC=O 5eed25f6bfb8ff46a024c08bac6beaad [0,1,1,0,0,0|1,0,0]=3 2449 B13R1.47 COCN(C)C(C)c1cccnc1 62cff4d0e7e3dd6675d927e16d276899 [0,1,1,0,0,0|1,0,1]=4 2450 B13R1.47 C[C@@H](c1ccccc1)N(C)CC=O 37e311d6bbe80a63a70a65a2c9b9cf7a [0,1,1,0,0,0|2,0,0]=4 2451 B13R1.47 C[C@H](c1ccccc1)N(C)CC=O 217324e581ec9c77f96593abc7246ee0 [0,1,1,0,0,0|2,0,0]=4 2452 B13R1.122 C#CCNC(C)(C)c1cccnc1 3ce0581c24ff8e0e792a71cc9a4b479a [0,1,1,0,0,0|0,0,2]=4 2453 B13R1.122 C=CCNC(C)(C)c1ccccc1 a8069ac5cda9e033f5b8505423f91936 [0,1,1,0,0,0|1,0,0]=3 2454 B13R1.122 C=CCNC(C)(C)c1ccccn1 88b8ebb2c180cbd299e8a2f091b10f5a [0,1,1,0,0,0|2,0,0]=4 2455 B13R1.122 C=CCNC(C)(C)c1cccnc1 904cb64ffa4ee8f2480b8274bf83fae2 [0,1,1,0,0,0|0,0,0]=2 2456 B13R1.122 C=CCNC(C)(C)c1ccncc1 3838635f0ea3d5525356982596c36b44 [0,1,1,0,0,0|2,0,0]=4 2457 B13R1.122 C=CCOC(C)(C)c1ccccc1 cf81553a93464befae44f30e74e5ead6 [0,1,1,0,0,0|2,0,0]=4 2458 B13R1.122 C=CCOC(C)(C)c1cccnc1 f14af79241a7fcbb3b7e0eade12b0a29 [0,1,1,0,0,0|1,0,0]=3 2459 B13R1.122 CC(C)(NCC#N)c1cccnc1 c0cfcf6527b47b855c27ac87772edfd9 [0,1,1,0,0,0|1,0,1]=4 2460 B13R1.122 CC(C)(NCC=O)c1ccccc1 5014792b14e9c38665af5b99ae1bcd12 [0,1,1,0,0,0|2,0,0]=4 2461 B13R1.122 CC(C)(NCC=O)c1cccnc1 91d5dcd8721a717caa633be28c09e216 [0,1,1,0,0,0|1,0,0]=3 2462 B13R1.122 CC(C)(NCCF)c1cccnc1 685e3a3a23dbf82757859559470efce2 [0,1,1,0,0,0|1,0,1]=4 2463 B13R1.122 CC(C)(NCCO)c1cccnc1 1130af6bb01c9369ce707ced297077b9 [0,1,1,0,0,0|1,0,1]=4 2464 B13R1.122 CC(C)(NCCS)c1cccnc1 0f72c9a6a08aadf8065cfb94717d5f24 [0,1,1,0,0,0|1,0,1]=4 2465 B13R1.122 CC(C)(OCC=O)c1cccnc1 323976f4123c09321cbfa97c6a7080a1 [0,1,1,0,0,0|2,0,0]=4 2466 B13R1.122 CCCNC(C)(C)c1cccnc1 f36355c06d5a0b7acf27b8f4b116141d [0,1,1,0,0,0|0,0,2]=4 2467 B13R1.122 COCNC(C)(C)c1cccnc1 6bc2dacbdb4bb6c0542ff4cc4ca718af [0,1,1,0,0,0|1,0,1]=4 2468 B13R1.122 CSCNC(C)(C)c1cccnc1 337d6f31ec2059086159b6c911336f68 [0,1,1,0,0,0|1,0,1]=4 2469 B13R1.674 C#CCNC(C)c1cccnc1Br 1779bc6d575b4b0de75c733196a6d6fb [0,1,1,0,0,0|0,0,2]=4 2470 B13R1.674 C#CCNC(C)c1cccnc1C dfebcb000efa4cc4cc209cc4aabfb42d [0,1,1,0,0,0|0,0,2]=4 2471 B13R1.674 C/C=C/CN(C)c1cccnc1Br a8ef59baead6c88800f2f4b553edd58a [0,1,1,0,0,0|2,0,0]=4 2472 B13R1.674 C/C=C/CN(C)c1cccnc1C 7355f26f933263c95da37b06ac0a38cd [0,1,1,0,0,0|2,0,0]=4 2473 B13R1.674 C/C=C/CN(C)c1cccnc1Cl 14ddae271093c8f42f914618e347907b [0,1,1,0,0,0|2,0,0]=4 2474 B13R1.674 C/C=C/CN(C)c1cccnc1F 1cedc5bd497e63603185a05c3c9ce8cf [0,1,1,0,0,0|2,0,0]=4 2475 B13R1.674 C/C=C/CN(C)c1cnccc1C 933d5b61c31039a41e34243ccc02179c [0,1,1,0,0,0|2,0,0]=4 2476 B13R1.674 C/C=C/CN(C)c1cnccc1Cl f3d614d4bd2de11b9ae96425a4442684 [0,1,1,0,0,0|2,0,0]=4 2477 B13R1.674 C/C=C/CN(C)c1cnccc1F 952ba47ab13427dc8389d8050d744756 [0,1,1,0,0,0|2,0,0]=4 2478 B13R1.674 C/C=C\CN(C)c1cccnc1Br 0bda114430daebaba690e0896b2e4071 [0,1,1,0,0,0|2,0,0]=4 2479 B13R1.674 C/C=C\CN(C)c1cccnc1C 6939b2b9540d6ab38e4f15216819f4b7 [0,1,1,0,0,0|2,0,0]=4 2480 B13R1.674 C/C=C\CN(C)c1cccnc1Cl be9e74ab096d5b5e52ddbef896af5c60 [0,1,1,0,0,0|2,0,0]=4 2481 B13R1.674 C/C=C\CN(C)c1cccnc1F bd2428d01785ebf127f996fd99a8cd7b [0,1,1,0,0,0|2,0,0]=4 2482 B13R1.674 C/C=C\CN(C)c1cnccc1C 0a16d1d50b06dea7afc3617b39e523bd [0,1,1,0,0,0|2,0,0]=4 2483 B13R1.674 C/C=C\CN(C)c1cnccc1Cl 822f1975875aad473821090f91cf720f [0,1,1,0,0,0|2,0,0]=4 2484 B13R1.674 C/C=C\CN(C)c1cnccc1F d5226f7db2ba8220c596f11cf4efb97a [0,1,1,0,0,0|2,0,0]=4 2485 B13R1.674 C=CCCN(C)c1cccnc1Br 535c71d9d9a36122379317aa9c057c1d [0,1,1,0,0,0|2,0,0]=4 2486 B13R1.674 C=CCCN(C)c1cccnc1C 1f8b58b886fde02ee0441684cc60cd95 [0,1,1,0,0,0|2,0,0]=4 2487 B13R1.674 C=CCCN(C)c1cccnc1Cl 21c143fa214b6cbbc2847ecbbb1738e3 [0,1,1,0,0,0|2,0,0]=4 2488 B13R1.674 C=CCCN(C)c1cccnc1F 4d20202cb35e3b81d93715484bcaf158 [0,1,1,0,0,0|2,0,0]=4 2489 B13R1.674 C=CCCN(C)c1cccnc1S acd19f889024a372067158b144b7ca92 [0,1,1,0,0,0|2,0,0]=4 2490 B13R1.674 C=CCCN(C)c1cnccc1C 3f721635faf18dc99e14ca51f7474c9b [0,1,1,0,0,0|2,0,0]=4 2491 B13R1.674 C=CCCN(C)c1cnccc1Cl 2f8283d751e50db8dacb8e2309c99ec9 [0,1,1,0,0,0|2,0,0]=4 2492 B13R1.674 C=CCCN(C)c1cnccc1F e02a2809bd2229432435f99a26bc71fc [0,1,1,0,0,0|2,0,0]=4 2493 B13R1.674 C=CCNC(C)c1ccccc1Br add63e210b175c32416156685a25f7f7 [0,1,1,0,0,0|1,0,0]=3 2494 B13R1.674 C=CCNC(C)c1ccccc1C 09db46be52f2ff0ec1c147b01838281c [0,1,1,0,0,0|1,0,0]=3 2495 B13R1.674 C=CCNC(C)c1ccccc1Cl 9925d96b981ebac0d853fd0180ff2f46 [0,1,1,0,0,0|1,0,0]=3 2496 B13R1.674 C=CCNC(C)c1ccccc1F f28fbb7177fc8721149615dc9623006c [0,1,1,0,0,0|1,0,0]=3 2497 B13R1.674 C=CCNC(C)c1ccccc1I 6345c981ba16be85690fad391449c444 [0,1,1,0,0,0|1,0,0]=3 2498 B13R1.674 C=CCNC(C)c1cccnc1Br ce106f876522a1e0005dec37b2067196 [0,1,1,0,0,0|0,0,0]=2 2499 B13R1.674 C=CCNC(C)c1cccnc1C d2f0a48786624b5f5758822809f68f63 [0,1,1,0,0,0|0,0,0]=2 2500 B13R1.674 C=CCNC(C)c1ccncc1Br fded14149ad71ac5637db7e39320ade7 [0,1,1,0,0,0|2,0,0]=4 2501 B13R1.674 C=CCNC(C)c1ccncc1Cl 8008824afb8f3b99685c095050813ead [0,1,1,0,0,0|2,0,0]=4 2502 B13R1.674 C=CCNC(C)c1ccncc1F c9d383020cd1cc4dc0843817ade00c6a [0,1,1,0,0,0|2,0,0]=4 2503 B13R1.674 C=CCNC(C)c1ncccc1Br b71b4796b6df17e397940168ada7c38b [0,1,1,0,0,0|2,0,0]=4 2504 B13R1.674 C=CCNC(C)c1ncccc1C c865981b3efcd347832f013d520cd8cf [0,1,1,0,0,0|2,0,0]=4 2505 B13R1.674 C=CCN[C@@H](C)c1ccccc1Br bbc31125d4824160e0f26233e56d53fb [0,1,1,0,0,0|1,0,0]=3 2506 B13R1.674 C=CCN[C@@H](C)c1ccccc1C 664b3df2ea5a8373e976d0b5c31e6668 [0,1,1,0,0,0|1,0,0]=3 2507 B13R1.674 C=CCN[C@@H](C)c1ccccc1Cl e447ace78e1db0f2c5230bee14680b1c [0,1,1,0,0,0|1,0,0]=3 2508 B13R1.674 C=CCN[C@@H](C)c1ccccc1F 528ca1c3d2f52f8fff79c59e5e989d28 [0,1,1,0,0,0|1,0,0]=3 2509 B13R1.674 C=CCN[C@@H](C)c1ncccc1Br 88fe9a9e119474577b48a9c311c36ff0 [0,1,1,0,0,0|2,0,0]=4 2510 B13R1.674 C=CCN[C@H](C)c1ccccc1Br cc5c293b5f6d548108c364232823efa4 [0,1,1,0,0,0|1,0,0]=3 2511 B13R1.674 C=CCN[C@H](C)c1ccccc1C 0b6cd8f2c683a6d4a4023872ef790805 [0,1,1,0,0,0|1,0,0]=3 2512 B13R1.674 C=CCN[C@H](C)c1ccccc1Cl f135be43a117981ffc29ee08e26fdb66 [0,1,1,0,0,0|1,0,0]=3 2513 B13R1.674 C=CCN[C@H](C)c1ccccc1F da3eebbfe4ed7f0e3fc78ee8388283b4 [0,1,1,0,0,0|1,0,0]=3 2514 B13R1.674 C=CCN[C@H](C)c1ncccc1C d05da5270cf46a05b1b522e7598dd0b2 [0,1,1,0,0,0|2,0,0]=4 2515 B13R1.674 C=CCOC(C)c1ccccc1C 6f0a87eadf4006bbd3889848066bf2b2 [0,1,1,0,0,0|2,0,0]=4 2516 B13R1.674 C=CCOC(C)c1ccccc1Cl 7fc356a8c4eb668ea60cf725b6d7be94 [0,1,1,0,0,0|2,0,0]=4 2517 B13R1.674 C=CCOC(C)c1ccccc1F f16f198c5839415899a2a3ff57235f27 [0,1,1,0,0,0|2,0,0]=4 2518 B13R1.674 C=CCOC(C)c1ccccc1I a4f004cb3956521b01cc0c1e601a4434 [0,1,1,0,0,0|2,0,0]=4 2519 B13R1.674 C=CCOC(C)c1cccnc1Br 4cafc9496a2a36a68d516b73ff1ffc11 [0,1,1,0,0,0|1,0,0]=3 2520 B13R1.674 C=CCOC(C)c1cccnc1C 4bfc433c0d882dfdac4bf1f16b1efed2 [0,1,1,0,0,0|1,0,0]=3 2521 B13R1.674 C=CCOC(C)c1cccnc1Cl 8b775c7ff925f9afa015d8f855c454ec [0,1,1,0,0,0|1,0,0]=3 2522 B13R1.674 C=CCOC(C)c1cccnc1F 3b25173b22245b6d26e80f534ec9522a [0,1,1,0,0,0|1,0,0]=3 2523 B13R1.674 C=CCO[C@@H](C)c1ccccc1C 927ae2c65fd391cfb7a61ceec50dfc86 [0,1,1,0,0,0|2,0,0]=4 2524 B13R1.674 C=CCO[C@@H](C)c1ccccc1Cl 7c7d4c231b5c5e9a8162f41dea17a330 [0,1,1,0,0,0|2,0,0]=4 2525 B13R1.674 C=CCO[C@@H](C)c1ccccc1F c0d06ed7b169a4f2ba0f6fd6710c839b [0,1,1,0,0,0|2,0,0]=4 2526 B13R1.674 C=CCO[C@H](C)c1ccccc1Cl 725467467d0af9bc9432aa47e14b08d2 [0,1,1,0,0,0|2,0,0]=4 2527 B13R1.674 C=CCO[C@H](C)c1ccccc1F 529b5ef8ff7df1b07584be881239255f [0,1,1,0,0,0|2,0,0]=4 2528 B13R1.674 C=CCO[C@H](C)c1cccnc1Cl 5b81853b43536de0651c9cf85599c278 [0,1,1,0,0,0|1,0,0]=3 2529 B13R1.674 C=CCO[C@H](C)c1cccnc1F a0c2e668f15c9033cc164c9cf241519a [0,1,1,0,0,0|1,0,0]=3 2530 B13R1.674 CC(NCC#N)c1cccnc1Br ec123ece648faf3c25e220a9291a2835 [0,1,1,0,0,0|1,0,1]=4 2531 B13R1.674 CC(NCC=O)c1ccccc1Br 94a91e3b529a113c1d8fbc26cabbdf33 [0,1,1,0,0,0|2,0,0]=4 2532 B13R1.674 CC(NCC=O)c1ccccc1Cl 2885416fb60287ad68d7d39207484cd6 [0,1,1,0,0,0|2,0,0]=4 2533 B13R1.674 CC(NCC=O)c1ccccc1F 9d1137b64ec7286c2d992df28c2e7721 [0,1,1,0,0,0|2,0,0]=4 2534 B13R1.674 CC(NCC=O)c1ccccc1I 7ee8da61ec79bbd61088da519809af98 [0,1,1,0,0,0|2,0,0]=4 2535 B13R1.674 CC(NCC=O)c1cccnc1Br c470bdcaaddca9fe19fcf3d08e191adb [0,1,1,0,0,0|1,0,0]=3 2536 B13R1.674 CC(NCCF)c1cccnc1Br d679db1c6e293d3c24173e44e8220c09 [0,1,1,0,0,0|1,0,1]=4 2537 B13R1.674 CC(NCCO)c1cccnc1Br a4ad0a4f7b72165b1e2651fdb4fcfaa2 [0,1,1,0,0,0|1,0,1]=4 2538 B13R1.674 CC(NCCS)c1cccnc1Br c3800c755ee5a6b15568cb17dc733237 [0,1,1,0,0,0|1,0,1]=4 2539 B13R1.674 CC(OCC=O)c1cccnc1Br 599e93ef950539de9f16b6a4c8e17199 [0,1,1,0,0,0|2,0,0]=4 2540 B13R1.674 CC(OCC=O)c1cccnc1Cl 7dce7600ff3697650120fdd22b655806 [0,1,1,0,0,0|2,0,0]=4 2541 B13R1.674 CC(OCC=O)c1cccnc1F a52740e86d611a89636129e536c997f8 [0,1,1,0,0,0|2,0,0]=4 2542 B13R1.674 CCCNC(C)c1cccnc1Br f341549f4224a0108e8a1117b46979a5 [0,1,1,0,0,0|0,0,2]=4 2543 B13R1.674 CCCNC(C)c1cccnc1C f5563a659561fdad732fea42a9338ed5 [0,1,1,0,0,0|0,0,2]=4 2544 B13R1.674 COCNC(C)c1cccnc1Br d83ae51dc019150bbb889795163307db [0,1,1,0,0,0|1,0,1]=4 2545 B13R1.674 COCNC(C)c1cccnc1C 30c0ed6f054d50a52237880a1a883d70 [0,1,1,0,0,0|1,0,1]=4 2546 B13R1.674 CSCNC(C)c1cccnc1Br bebeed5b068b7820942f04c6522248b0 [0,1,1,0,0,0|1,0,1]=4 2547 B13R1.674 CSCNC(C)c1cccnc1C df3708a2159ce83b75aed79226bc322a [0,1,1,0,0,0|1,0,1]=4 2548 B13R1.674 C[C@@H](NCC=O)c1ccccc1Br 5af4eed4d74cc1de396cfc3ef903e0e2 [0,1,1,0,0,0|2,0,0]=4 2549 B13R1.674 C[C@@H](NCC=O)c1ccccc1Cl 5fe94ed9ce2e6d205b9cc9b97652e98a [0,1,1,0,0,0|2,0,0]=4 2550 B13R1.674 C[C@@H](NCC=O)c1ccccc1F 66029ce2763eb4022c3a6e1526156ae9 [0,1,1,0,0,0|2,0,0]=4 2551 B13R1.674 C[C@@H](OCC=O)c1cccnc1Cl a94cf79753cf1243e4c575c6328fbd7b [0,1,1,0,0,0|2,0,0]=4 2552 B13R1.674 C[C@@H](OCC=O)c1cccnc1F c1fcb1af96d9de15c035ee1e1c770bde [0,1,1,0,0,0|2,0,0]=4 2553 B13R1.674 C[C@H](NCC=O)c1ccccc1Br 5bc3fe98ff4ed17331a5026e202c95ef [0,1,1,0,0,0|2,0,0]=4 2554 B13R1.674 C[C@H](NCC=O)c1ccccc1Cl c251ee36e354320ea684001bf496f41b [0,1,1,0,0,0|2,0,0]=4 2555 B13R1.674 C[C@H](NCC=O)c1ccccc1F 55c668202b528ad031f42cbb87ecfffc [0,1,1,0,0,0|2,0,0]=4 2556 B13R1.674 Cc1ccccc1C(C)NCC=O ccd03fc9712bc083016bf9cdbd28e3d4 [0,1,1,0,0,0|2,0,0]=4 2557 B13R1.674 Cc1ccccc1[C@@H](C)NCC=O 41dcf7575c9e0b7ce1e5564474fae06a [0,1,1,0,0,0|2,0,0]=4 2558 B13R1.674 Cc1ccccc1[C@H](C)NCC=O a73f4f6cf6ea8ba5f992c8a108f187fe [0,1,1,0,0,0|2,0,0]=4 2559 B13R1.674 Cc1ncccc1C(C)NCC#N f0694a3a908a24ab16920748b58f2f3f [0,1,1,0,0,0|1,0,1]=4 2560 B13R1.674 Cc1ncccc1C(C)NCC=O de2d2aff6829c8467be4ce20fc87fd2c [0,1,1,0,0,0|1,0,0]=3 2561 B13R1.674 Cc1ncccc1C(C)NCCBr be6597cbe8d1d2e271d834e4c93c47ae [0,1,1,0,0,0|1,0,1]=4 2562 B13R1.674 Cc1ncccc1C(C)NCCF daea08ff91141bea92373cb0f132aa1f [0,1,1,0,0,0|1,0,1]=4 2563 B13R1.674 Cc1ncccc1C(C)NCCO 466961d3edb4712fde3a0815a5188bf4 [0,1,1,0,0,0|1,0,1]=4 2564 B13R1.674 Cc1ncccc1C(C)NCCS 9ab52f812023bd61cefae70cd8bf44b2 [0,1,1,0,0,0|1,0,1]=4 2565 B13R1.674 Cc1ncccc1C(C)OCC=O 1e42a586419fc930f1bf8abf645c3adc [0,1,1,0,0,0|2,0,0]=4 2566 B13R2.10 Cc1c[nH]c(n1)c2cccnc2 5fc38b894778a3f9982afff71362ccb1 [0,1,0,0,1,0|1,0,1]=4 2567 B13R2.10 Cc1ccc([nH]1)c2cccnc2 15b323e5189925426efeab9c6e2feb48 [0,1,0,0,1,0|0,0,2]=4 2568 B13R2.10 Nc1cc([nH]n1)c2cccnc2 c87c1844c52fb80291b0d0c11fba7f94 [0,1,0,0,1,0|1,0,1]=4 2569 B13R2.12 Brc1ccc(cn1)c2ncc[nH]2 376880460dda8afd0bffc9265f30b398 [0,1,0,0,1,0|1,0,1]=4 2570 B13R2.12 Cc1ccc(cn1)c2ccc[nH]2 376b3bd83df1b02f1197b3a15d124f98 [0,1,0,0,1,0|0,0,2]=4 2571 B13R2.12 Cc1ccc(cn1)c2ccn[nH]2 ba4fb8a332550437e36afa778cc7ef81 [0,1,0,0,1,0|1,0,1]=4 2572 B13R2.12 Cc1ccc(cn1)c2ncc[nH]2 b5ebc3d4157cd1457a1f611353ecd243 [0,1,0,0,1,0|1,0,1]=4 2573 B13R2.12 Clc1ccc(cn1)c2ncc[nH]2 177a9ba49395fea7ace00d03d706a903 [0,1,0,0,1,0|1,0,1]=4 2574 B13R2.12 Fc1ccc(cn1)c2ccc[nH]2 554d75d8258434ebfac85d622c632fa1 [0,1,0,0,1,0|0,0,2]=4 2575 B13R2.12 Fc1ccc(cn1)c2ncc[nH]2 288b57a827f4ae308cdda74164a30996 [0,1,0,0,1,0|1,0,1]=4 2576 B13R2.12 Nc1ccc(cn1)c2ccc[nH]2 624d71755d62d08cbabf33f332a707b4 [0,1,0,0,1,0|0,0,2]=4 2577 B13R2.12 Nc1ccc(cn1)c2ccn[nH]2 7719b1bf53858b9bb8bccbcb7f4b36a8 [0,1,0,0,1,0|1,0,1]=4 2578 B13R2.12 Nc1ccc(cn1)c2ncc[nH]2 7b8827f92cf08dce6c608721b9e8c1a1 [0,1,0,0,1,0|1,0,1]=4 2579 B13R2.12 Sc1ccc(cn1)c2ccn[nH]2 d90fd794fb3d87b9875f639172efdded [0,1,0,0,1,0|1,0,1]=4 2580 B13R2.13 Brc1cncc(c1)c2ncc[nH]2 e88e90ebceb407e30fdd99c98eb039f6 [0,1,0,0,1,0|1,0,1]=4 2581 B13R2.13 Cc1cncc(c1)c2ccc[nH]2 0d8cacd7b6fff2680e795220b4da8677 [0,1,0,0,1,0|0,0,2]=4 2582 B13R2.13 Cc1cncc(c1)c2ncc[nH]2 5d0ff94ec97794934ba97de47df41892 [0,1,0,0,1,0|1,0,1]=4 2583 B13R2.13 Clc1cncc(c1)c2ncc[nH]2 d601a18d9c89ba5f7a320d64e9c0da75 [0,1,0,0,1,0|1,0,1]=4 2584 B13R2.13 Fc1cncc(c1)c2ccc[nH]2 951f942face5a56a84890e10cac51a6d [0,1,0,0,1,0|0,0,2]=4 2585 B13R2.13 Fc1cncc(c1)c2ccn[nH]2 87180b2b3d7d43484644ad1eb81b9200 [0,1,0,0,1,0|1,0,1]=4 2586 B13R2.13 Fc1cncc(c1)c2ncc[nH]2 c8cc81edbb085c54501fd2a7441e15f5 [0,1,0,0,1,0|1,0,1]=4 2587 B13R2.13 Nc1cncc(c1)c2ccc[nH]2 93406e65e7efb14059ebfb0be2a27d5a [0,1,0,0,1,0|0,0,2]=4 2588 B13R2.13 Nc1cncc(c1)c2ccn[nH]2 a74351297245111ef3dc9464cb00e4d9 [0,1,0,0,1,0|1,0,1]=4 2589 B13R2.13 Nc1cncc(c1)c2ncc[nH]2 46086f6fe5ac5415fe1055998a72394e [0,1,0,0,1,0|1,0,1]=4 2590 B13R2.13 Oc1cncc(c1)c2ccc[nH]2 9949bdc9c3487dab5129a68c794c47d0 [0,1,0,0,1,0|0,0,2]=4 2591 B13R2.13 Oc1cncc(c1)c2ncc[nH]2 0af510ca38fb2864e0f5d686502a2d36 [0,1,0,0,1,0|1,0,1]=4 2592 B13R2.15 Cn1cccc1c2cccnc2 e025df7db56b3691cb6b1bea7bec0179 [0,1,0,0,1,0|0,0,2]=4 2593 B13R2.15 Cn1ccnc1c2cccnc2 075480b4a3bb0dcfa718553c98d15c25 [0,1,0,0,1,0|1,0,1]=4 2594 B13R2.15 Cn1nccc1c2cccnc2 da07a8ff1bc70a7fe43d64b18c142279 [0,1,0,0,1,0|1,0,1]=4 2595 B13R2.18 Brc1ccncc1c2ncc[nH]2 d1d902409128e00ba4a95bd8b920492a [0,1,0,0,1,0|1,0,1]=4 2596 B13R2.18 Brc1ncccc1c2ncc[nH]2 018853dfc3a0057ce230299271fc6678 [0,1,0,0,1,0|1,0,1]=4 2597 B13R2.18 Cc1ccncc1c2ccc[nH]2 433cfc0ee31939bb571ecc9f0ee52845 [0,1,0,0,1,0|0,0,2]=4 2598 B13R2.18 Cc1ccncc1c2ccn[nH]2 6e42de792fcac67c0157aca8cd7b6685 [0,1,0,0,1,0|1,0,1]=4 2599 B13R2.18 Cc1ccncc1c2ncc[nH]2 fbd1a8c7478f64d1a1ba765d5e56d507 [0,1,0,0,1,0|1,0,1]=4 2600 B13R2.18 Cc1ncccc1c2ccc[nH]2 8f76a9f660dd6784fef691373f3bbff8 [0,1,0,0,1,0|0,0,2]=4 2601 B13R2.18 Cc1ncccc1c2ccn[nH]2 3f3420cea1b02429c5cfeb2d9f644970 [0,1,0,0,1,0|1,0,1]=4 2602 B13R2.18 Cc1ncccc1c2ncc[nH]2 b52788bbdba5293d3d0434297f32a962 [0,1,0,0,1,0|1,0,1]=4 2603 B13R2.18 Clc1ccncc1c2ncc[nH]2 4dcb958970fe1ab563f727eedc1a36f3 [0,1,0,0,1,0|1,0,1]=4 2604 B13R2.18 Clc1ncccc1c2ncc[nH]2 a31189a42dd7579c34f9cbeaa79da5ad [0,1,0,0,1,0|1,0,1]=4 2605 B13R2.18 Fc1ccncc1c2ccc[nH]2 12c06dab66b3ac3b122cb1e0cf4766f8 [0,1,0,0,1,0|0,0,2]=4 2606 B13R2.18 Fc1ccncc1c2ccn[nH]2 fe717dfb026c659e8a4288fc36840fbe [0,1,0,0,1,0|1,0,1]=4 2607 B13R2.18 Fc1ccncc1c2ncc[nH]2 1708c7f0cc1fbbbc72476e888d3e6f1d [0,1,0,0,1,0|1,0,1]=4 2608 B13R2.18 Fc1ncccc1c2ccc[nH]2 f2af7a25639aac638edbdf549b2a0fa3 [0,1,0,0,1,0|0,0,2]=4 2609 B13R2.18 Fc1ncccc1c2ccn[nH]2 bf20125e9c307a27e173e40092c0c2e4 [0,1,0,0,1,0|1,0,1]=4 2610 B13R2.18 Fc1ncccc1c2ncc[nH]2 d75efaa79a7d98c79e975f0dae5f3d39 [0,1,0,0,1,0|1,0,1]=4 2611 B13R2.18 Nc1ccncc1c2ccc[nH]2 a9899c0ae25fdfe7e1e9847231bbde97 [0,1,0,0,1,0|0,0,2]=4 2612 B13R2.18 Nc1ccncc1c2ccn[nH]2 5598c80adaec0418865ad09c32ad5f54 [0,1,0,0,1,0|1,0,1]=4 2613 B13R2.18 Nc1ccncc1c2ncc[nH]2 b9db28e2d47a39bd9eabe58c7e1c544b [0,1,0,0,1,0|1,0,1]=4 2614 B13R2.18 Nc1ncccc1c2ccc[nH]2 a24dfdcf0f94a9e6b626a36831e3e186 [0,1,0,0,1,0|0,0,2]=4 2615 B13R2.18 Nc1ncccc1c2ccn[nH]2 0d83b6c1a16b69ceaca8d23594b9cbf4 [0,1,0,0,1,0|1,0,1]=4 2616 B13R2.18 Nc1ncccc1c2ncc[nH]2 6a2a9674e8473c12411cb21f3c67b012 [0,1,0,0,1,0|1,0,1]=4 2617 B13R2.18 Oc1ccncc1c2ccc[nH]2 4731ca96227700a6b9566594eea67d0a [0,1,0,0,1,0|0,0,2]=4 2618 B13R2.18 Oc1ncccc1c2ccc[nH]2 984e1a53a92484c985d574de5f74d5aa [0,1,0,0,1,0|0,0,2]=4 2619 B13R2.18 Oc1ncccc1c2ncc[nH]2 14d778217c370fa21c82d6367b22f980 [0,1,0,0,1,0|1,0,1]=4 2620 B15R2.29 BrC1=CCN(CC1)Cc2cccnc2 d19adea4f862df59b04106e33b6d94bc [0,1,0,0,0,1|2,0,0]=4 2621 B15R2.29 Brc1ccc(cn1)CN2CC=CCC2 fe7273160ceaf712fbddfb2f190e5912 [0,1,0,0,0,1|2,0,0]=4 2622 B15R2.29 Cc1ccc(cn1)CN2CC=CCC2 628f1f7136a1e4f814df8e0b0e29daba [0,1,0,0,0,1|2,0,0]=4 2623 B15R2.29 Clc1ccc(cn1)CN2CC=CCC2 02e6df01967deed991fcae12fa603b1c [0,1,0,0,0,1|2,0,0]=4 2624 B15R2.29 Fc1ccc(cn1)CN2CC=CCC2 6510a177ff5963898b34ee5fc17c5002 [0,1,0,0,0,1|2,0,0]=4 2625 B15R2.29 O=C1CCC(CC1)Nc2cccnc2 d56be8a0342d30ad8e53db3e240af82e [0,1,0,0,0,1|1,0,1]=4 2626 B15R2.29 O=C1CCC(CC1)Oc2cccnc2 efe1bf31ae05250630cc9704a65e385a [0,1,0,0,0,1|1,0,1]=4 2627 B15R2.29 O=C1CCC(CN1)Nc2cccnc2 80b06d2baf1c4f177ec599a00b616a0b [0,1,0,0,0,1|2,0,0]=4 2628 B15R2.29 O=C1CC[C@@H](CN1)Nc2cccnc2 b058d9cbe000e63fbe6db696a54ba3ac [0,1,0,0,0,1|2,0,0]=4 2629 B15R2.29 O=C1CC[C@H](CN1)Nc2cccnc2 7b4a1eb092c1c7266336cab307bd7bc7 [0,1,0,0,0,1|2,0,0]=4 2630 B15R2.31 Brc1cncc(c1)CN2CC=CCC2 c2e309a8eb7220347b787024a65eccd0 [0,1,0,0,0,1|2,0,0]=4 2631 B15R2.31 Clc1cncc(c1)CN2CC=CCC2 a044fdc126d7f3c53c6957c17397aaa0 [0,1,0,0,0,1|2,0,0]=4 2632 B15R2.31 Fc1cncc(c1)CN2CC=CCC2 31e2d8bbdae75540978d36fb64f4adfd [0,1,0,0,0,1|2,0,0]=4 2633 B15R2.31 O=C1CC(CCN1)Nc2cccnc2 a50acc283060758dfd185ddeec169d1f [0,1,0,0,0,1|2,0,0]=4 2634 B15R2.31 O=C1CCCC(C1)Nc2cccnc2 fdc019e438eb1096c7a0f93e38082d18 [0,1,0,0,0,1|1,0,1]=4 2635 B15R2.31 O=C1CCCC(C1)Oc2cccnc2 f6bbc378919317347a2d3256ff00efa3 [0,1,0,0,0,1|1,0,1]=4 2636 B15R2.31 O=C1C[C@@H](CCN1)Nc2cccnc2 abee468b0fef99fd6adccf423f2b9ef5 [0,1,0,0,0,1|2,0,0]=4 2637 B15R2.31 O=C1C[C@H](CCN1)Nc2cccnc2 7aa31db8d13d3c91268410428eb4742f [0,1,0,0,0,1|2,0,0]=4 2638 B15R2.31 OC1C=CCN(C1)Cc2cccnc2 9d63878f8994b3f3f3b23b94c8985626 [0,1,0,0,0,1|2,0,0]=4 2639 B15R2.38 Brc1ncccc1CN2CC=CCC2 3710ca3da3cfe5f33a4427bfac9dd55d [0,1,0,0,0,1|2,0,0]=4 2640 B15R2.38 Cc1ccncc1CN2CC=CCC2 4b2c18ef7f4a341a880a8a8a62a9ee4d [0,1,0,0,0,1|2,0,0]=4 2641 B15R2.38 Cc1ncccc1CN2CC=CCC2 b7f0fb8506a7b2687bac0dd93cb5de82 [0,1,0,0,0,1|2,0,0]=4 2642 B15R2.38 Clc1ncccc1CN2CC=CCC2 e39c8d5e11fd018f1c039cc414125ff8 [0,1,0,0,0,1|2,0,0]=4 2643 B15R2.38 Fc1ncccc1CN2CC=CCC2 626c4b0284081af853df52bfbc822ea6 [0,1,0,0,0,1|2,0,0]=4 2644 B15R2.2226 O=C(c1cccnc1)N2CC=CCC2 1a1ea0c4d4378c8c5fc6d5c32c370ce7 [0,1,0,0,0,1|2,0,0]=4 2645 B15R2.21 CCN1CC=CCC1c2cccnc2 0a5afd5a037d55cf637e9cebeffefd00 [0,2,0,0,0,0|0,0,0]=2 2646 B15R2.21 CCN1CC=CC[C@H]1c2cccnc2 26b1278dac07d86809f85f47d57461ab [0,2,0,0,0,0|0,0,0]=2 2647 B15R2.21 CCN1CCCCC1c2cccnc2 9eb0514126602161831d5d60436176c5 [0,2,0,0,0,0|0,0,2]=4 2648 B15R2.21 CCN1CCCC[C@H]1c2cccnc2 e413672214ddd584a4fbb623db06dd9d [0,2,0,0,0,0|0,0,2]=4 2649 B15R2.21 CCN1CCOCC1c2cccnc2 a9b88921b7f070726a4f678b14c6c939 [0,2,0,0,0,0|1,0,1]=4 2650 B15R2.21 CCN1CCSCC1c2cccnc2 4e9689b726baa61f3cfce923333e288b [0,2,0,0,0,0|1,0,1]=4 2651 B15R2.21 FCN1CC=CCC1c2cccnc2 7be84675b559d45b7ac1b2ad73baed48 [0,2,0,0,0,0|0,0,0]=2 2652 B15R2.21 FCN1CC=CC[C@H]1c2cccnc2 14a9a9165e6709262ecd32fba2de350f [0,2,0,0,0,0|0,0,0]=2 2653 B15R2.21 FCN1CCCCC1c2cccnc2 f8ec294c6e676fc2c5889f5b3030e145 [0,2,0,0,0,0|0,0,2]=4 2654 B15R2.21 FCN1CCCC[C@H]1c2cccnc2 5d674a042b845f215c4ed1b053d7446b [0,2,0,0,0,0|0,0,2]=4 2655 B15R2.21 FCN1CCOCC1c2cccnc2 d88cdbc71b978a73dc8a74bf7638ddf6 [0,2,0,0,0,0|1,0,1]=4 2656 B15R2.21 FCN1CCSCC1c2cccnc2 49af669d93b14629baa2ddfd4565f3ad [0,2,0,0,0,0|1,0,1]=4 2657 B15R2.21 O=CN1CC=CCC1c2cccnc2 d7677647e22e87f098da5e8e4f65acbd [0,2,0,0,0,0|0,0,0]=2 2658 B15R2.21 O=CN1CC=CC[C@H]1c2cccnc2 b7b020cb91e9a4d2ba09b1a65557a7b6 [0,2,0,0,0,0|0,0,0]=2 2659 B15R2.21 O=CN1CCCCC1c2cccnc2 6680b7b8a53839889dad8279488e5238 [0,2,0,0,0,0|0,0,2]=4 2660 B15R2.21 O=CN1CCCC[C@H]1c2cccnc2 a05603f15db67894cbb29ef6c1958337 [0,2,0,0,0,0|0,0,2]=4 2661 B15R2.21 O=CN1CCOCC1c2cccnc2 cab5241d91131c6e733404dbea97edc1 [0,2,0,0,0,0|1,0,1]=4 2662 B15R2.21 O=CN1CCSCC1c2cccnc2 8c08edea40aefe98447adcfc61212720 [0,2,0,0,0,0|1,0,1]=4 2663 B15R2.21 OCN1CC=CCC1c2cccnc2 648cd22d228fd29099836725d5fdb466 [0,2,0,0,0,0|0,0,0]=2 2664 B15R2.21 OCN1CC=CC[C@H]1c2cccnc2 8790b2c5d4ed25a1a701bd7cec8b6521 [0,2,0,0,0,0|0,0,0]=2 2665 B15R2.21 OCN1CCCCC1c2cccnc2 9e8a7a667c18c87562fda661d39c6e8d [0,2,0,0,0,0|0,0,2]=4 2666 B15R2.21 OCN1CCCC[C@H]1c2cccnc2 e26c2662f2d542f32fb40312fe7099c6 [0,2,0,0,0,0|0,0,2]=4 2667 B15R2.21 OCN1CCOCC1c2cccnc2 1435fa5252470b418984245f16fb0f85 [0,2,0,0,0,0|1,0,1]=4 2668 B15R2.21 OCN1CCSCC1c2cccnc2 bb318ff5fad1c3b6d2d9c9131261112f [0,2,0,0,0,0|1,0,1]=4 2669 B13R2.1 C=CCN1CCc2c1cccn2 ab4dd48f8b03bd190fda2e73575619e0 [0,0,1,1,0,0|2,0,0]=4 2670 B13R2.1 C=CCN1CCc2c1cncc2 1a401da05dc2d2ea1e36ea8ddeaaf4f0 [0,0,1,1,0,0|2,0,0]=4 2671 B13R2.1 CCNC1CCc2c1cccn2 b3b2e90c68f62fb1ac1e2f62a18647d5 [0,0,1,1,0,0|0,0,2]=4 2672 B13R2.1 CCNC1COc2c1cccn2 5f79db25effbb04df968bf0898ffe111 [0,0,1,1,0,0|1,0,1]=4 2673 B13R2.1 CCN[C@@H]1CCc2c1cccn2 dfbe01a2bcf28fefda2d3faef7d66293 [0,0,1,1,0,0|0,0,2]=4 2674 B13R2.1 CCN[C@H]1CCc2c1cccn2 377b65ef739f583520e4d6dcfffb9079 [0,0,1,1,0,0|0,0,2]=4 2675 B13R2.1 FCNC1CCc2c1cccn2 65500a1e299aeba7d35987dab434c71c [0,0,1,1,0,0|1,0,1]=4 2676 B13R2.1 FCNC1COc2c1cccn2 18df408466a3318a00a1a01445f83ef9 [0,0,1,1,0,0|2,0,0]=4 2677 B13R2.1 FCN[C@@H]1CCc2c1cccn2 fd2bf79e1015495a188ecc4cbb93174f [0,0,1,1,0,0|1,0,1]=4 2678 B13R2.1 FCN[C@H]1CCc2c1cccn2 885e10c327e51bb62f2c05713f94a754 [0,0,1,1,0,0|1,0,1]=4 2679 B13R2.1 OCNC1CCc2c1cccn2 55db694eefad1dbd2ad306b99edfa53c [0,0,1,1,0,0|1,0,1]=4 2680 B13R2.1 OCNC1COc2c1cccn2 be056dec23f5145bed9d6c59832548d4 [0,0,1,1,0,0|2,0,0]=4 2681 B13R2.1 OCN[C@@H]1CCc2c1cccn2 fb36946e03810824aa4d0aebe93c4067 [0,0,1,1,0,0|1,0,1]=4 2682 B13R2.1 OCN[C@H]1CCc2c1cccn2 22cfe29a7001e7e1be286839d5aa87ee [0,0,1,1,0,0|1,0,1]=4 2683 B13R2.453 CCNC1(CC1)c2cccnc2 9a64aa141c40e508e3ca51bac7338ae5 [0,0,1,1,0,0|0,0,2]=4 2684 B13R2.453 FCNC1(CC1)c2cccnc2 7f12abd8f02f8798ffe1a9f6c7e7d672 [0,0,1,1,0,0|1,0,1]=4 2685 B13R2.453 OCNC1(CC1)c2cccnc2 e66a53bf9b85419fc256222dfaa467f9 [0,0,1,1,0,0|1,0,1]=4 2686 B13R2.17 CC1CC1NCc2cccnc2 0e773e8c8aceca3868b86af9296f500e [0,0,1,1,0,0|0,0,2]=4 2687 B13R2.64 C1=CCC(C1)Nc2cccnc2 dc43cb21cfb6aedb05cb5e8d17aefc71 [0,0,1,1,0,0|2,0,0]=4 2688 B13R2.64 C1=CCN(C1)Cc2ccccc2 ee2975243e10999a4eebf03086851021 [0,0,1,1,0,0|1,0,0]=3 2689 B13R2.64 C1=CCN(C1)Cc2ccccn2 62676026d04f957279463f78318ce51b [0,0,1,1,0,0|2,0,0]=4 2690 B13R2.64 C1=CCN(C1)Cc2cccnc2 15bce397a0c83969235b8f60dcd6a0ad [0,0,1,1,0,0|0,0,0]=2 2691 B13R2.64 C1=CCN(C1)Cc2cccnn2 cc12594e50b8dcf24cfa8bf137fc47df [0,0,1,1,0,0|1,0,0]=3 2692 B13R2.64 C1=CCN(C1)Cc2cncnc2 550e17e004bee49a9daa5306ae89c4b1 [0,0,1,1,0,0|1,0,0]=3 2693 B13R2.64 c1cncc(c1)CN2CCSC2 8d921be7c1bfb2bf40900d779c8eded4 [0,0,1,1,0,0|1,0,1]=4 2694 B13R2.2382 c1cncc(c1)CNCC2CC2 68b46c24d878721f2c4008748c137fe1 [0,0,1,1,0,0|0,0,2]=4 2695 B13R2.2383 c1cncc(c1)CNC2CCC2 a4c6d3cbd29a5a08009b790cec1582f2 [0,0,1,1,0,0|0,0,2]=4 2696 B13R2.2383 c1cncc(c1)CNC2COC2 6f7cfda0c2ab85e4f669f6d8536f8bc8 [0,0,1,1,0,0|1,0,1]=4 2697 B11R1.4 C/C=C/CNCc1c[nH]nn1 ae537e68ab6b98e9c6253fb5f0a988e1 [0,0,1,0,1,0|2,0,0]=4 2698 B11R1.4 C/C=C/CNCc1cc[nH]c1 60602a6469f4480f1ae69e16eb1e525f [0,0,1,0,1,0|0,0,1]=3 2699 B11R1.4 C/C=C/CNCc1ccc[nH]1 98d4206d55930f1d002e47573f048026 [0,0,1,0,1,0|0,0,1]=3 2700 B11R1.4 C/C=C/CNCc1ccco1 a92c775b66466bd49a8ba62551fd49f8 [0,0,1,0,1,0|1,0,0]=3 2701 B11R1.4 C/C=C/CNCc1cccs1 7f4c18978f395b69a1f6269a916c9e15 [0,0,1,0,1,0|1,0,0]=3 2702 B11R1.4 C/C=C/CNCc1ccn[nH]1 b3277346500ef760a13865c6e7bbcd49 [0,0,1,0,1,0|1,0,0]=3 2703 B11R1.4 C/C=C/CNCc1ccno1 09988cf8e695e368815c6fc5b48250dd [0,0,1,0,1,0|1,0,0]=3 2704 B11R1.4 C/C=C/CNCc1ccns1 46eb1ff5a3c9a03f56871a1618486e36 [0,0,1,0,1,0|1,0,0]=3 2705 B11R1.4 C/C=C/CNCc1ccoc1 4e6109ae80bf122647dacd3e82a69420 [0,0,1,0,1,0|1,0,0]=3 2706 B11R1.4 C/C=C/CNCc1ccon1 be4c98719fa788bb6a0a0f875c90e77e [0,0,1,0,1,0|1,0,0]=3 2707 B11R1.4 C/C=C/CNCc1ccsc1 ccd62f3814f99e74bf9ec42c11ee245a [0,0,1,0,1,0|1,0,0]=3 2708 B11R1.4 C/C=C/CNCc1ccsn1 643702e29a26cad9634e7d2d79dade76 [0,0,1,0,1,0|1,0,0]=3 2709 B11R1.4 C/C=C/CNCc1cn[nH]c1 b239bfc48f4b547f968c99f81b618e21 [0,0,1,0,1,0|1,0,0]=3 2710 B11R1.4 C/C=C/CNCc1cnco1 5f077557e2130106859415659af0c006 [0,0,1,0,1,0|1,0,0]=3 2711 B11R1.4 C/C=C/CNCc1cncs1 c0d78bca6997e7d706b9c35fa4b88a65 [0,0,1,0,1,0|1,0,0]=3 2712 B11R1.4 C/C=C/CNCc1cnoc1 c2c0be94e9453cff2a5f349540e5230f [0,0,1,0,1,0|1,0,0]=3 2713 B11R1.4 C/C=C/CNCc1cnsc1 b7f7d2f1dc25c5e48d08de04d3018a08 [0,0,1,0,1,0|1,0,0]=3 2714 B11R1.4 C/C=C/CNCc1cocn1 c6a91ba0c742ac9bb3bd2c08c483f548 [0,0,1,0,1,0|1,0,0]=3 2715 B11R1.4 C/C=C/CNCc1cscn1 12b8a301135974a22b86dff5e9f771ca [0,0,1,0,1,0|1,0,0]=3 2716 B11R1.4 C/C=C/CNCc1ncc[nH]1 5dcb529557cfa6b78f60fe54b26b5b49 [0,0,1,0,1,0|1,0,0]=3 2717 B11R1.4 C/C=C/CNCc1ncco1 6e28946bb12e9d17306d415083cb2e67 [0,0,1,0,1,0|1,0,0]=3 2718 B11R1.4 C/C=C/CNCc1nccs1 3765d062ba1751591e3c688d21a3fa45 [0,0,1,0,1,0|1,0,0]=3 2719 B11R1.4 C/C=C/CNCc1ncn[nH]1 29f4400970cf7a6118c74f4e20476e53 [0,0,1,0,1,0|2,0,0]=4 2720 B11R1.4 C/C=C/COCc1cc[nH]c1 e6ac46971860494358f84dee6f6b6d2b [0,0,1,0,1,0|1,0,1]=4 2721 B11R1.4 C/C=C/COCc1ccc[nH]1 d53a79e4f8b0ff2a6a36b80e4df0af77 [0,0,1,0,1,0|1,0,1]=4 2722 B11R1.4 C/C=C/COCc1ccco1 f7a261bfe859e3bd08e95dadff168e4a [0,0,1,0,1,0|2,0,0]=4 2723 B11R1.4 C/C=C/COCc1cccs1 db86bbac5c16e9a1f611cd8910a16dc3 [0,0,1,0,1,0|2,0,0]=4 2724 B11R1.4 C/C=C/COCc1ccn[nH]1 580b5c9bbeede924fc7c9112119556af [0,0,1,0,1,0|2,0,0]=4 2725 B11R1.4 C/C=C/COCc1ccno1 97b46a7ce42feb6e23be1bfa740d00bb [0,0,1,0,1,0|2,0,0]=4 2726 B11R1.4 C/C=C/COCc1ccns1 40366de5b80388485da79c73be924a8d [0,0,1,0,1,0|2,0,0]=4 2727 B11R1.4 C/C=C/COCc1ccoc1 e708b31b82129e1ccba8ef454edab7f1 [0,0,1,0,1,0|2,0,0]=4 2728 B11R1.4 C/C=C/COCc1ccon1 16f37239fe9f573be84718cc74818239 [0,0,1,0,1,0|2,0,0]=4 2729 B11R1.4 C/C=C/COCc1ccsc1 1a31dff01b2c9d8302c8cd112694a3ac [0,0,1,0,1,0|2,0,0]=4 2730 B11R1.4 C/C=C/COCc1ccsn1 36fbca32af3fc505bdd6488d4fe5f79b [0,0,1,0,1,0|2,0,0]=4 2731 B11R1.4 C/C=C/COCc1cn[nH]c1 d19d311d1d8eab6261f30bd85e3f5aca [0,0,1,0,1,0|2,0,0]=4 2732 B11R1.4 C/C=C/COCc1cnc[nH]1 bc5cc484e5ddef420e60f90dcf76c1bd [0,0,1,0,1,0|2,0,0]=4 2733 B11R1.4 C/C=C/COCc1cnco1 c74d9e796e8513428d33e9b7d6e7d282 [0,0,1,0,1,0|2,0,0]=4 2734 B11R1.4 C/C=C/COCc1cncs1 71c757f9647fd01336497e65c18b6dfa [0,0,1,0,1,0|2,0,0]=4 2735 B11R1.4 C/C=C/COCc1cnoc1 fa366a3f0b796c7932393f45481aa535 [0,0,1,0,1,0|2,0,0]=4 2736 B11R1.4 C/C=C/COCc1cnsc1 129ab82a7af293b59dbef5ca1fcc4bcf [0,0,1,0,1,0|2,0,0]=4 2737 B11R1.4 C/C=C/COCc1cocn1 e9a086d5aebcacb31e05bac2493ecbd6 [0,0,1,0,1,0|2,0,0]=4 2738 B11R1.4 C/C=C/COCc1cscn1 eb2d04c54d268eda4069a2e45d58c55f [0,0,1,0,1,0|2,0,0]=4 2739 B11R1.4 C/C=C/COCc1ncc[nH]1 793a9d802a90c3cc4f03813e2a0ed81c [0,0,1,0,1,0|2,0,0]=4 2740 B11R1.4 C/C=C/COCc1ncco1 b17d3169c9cc7da5349c069792603909 [0,0,1,0,1,0|2,0,0]=4 2741 B11R1.4 C/C=C/COCc1nccs1 bdf4e7b8e9ab634b75f26634c6d78843 [0,0,1,0,1,0|2,0,0]=4 2742 B11R1.4 C/C=C/COCn1cccn1 096695cb7989e9c76727822163af3c3f [0,0,1,0,1,0|2,0,0]=4 2743 B11R1.4 C/C=C/COCn1ccnc1 938844390a0d46168817d38f6a3cf519 [0,0,1,0,1,0|2,0,0]=4 2744 B11R1.4 C/C=C\CNCc1c[nH]nn1 300d9a7f211f4075730c1a8cb05c2878 [0,0,1,0,1,0|2,0,0]=4 2745 B11R1.4 C/C=C\CNCc1cc[nH]c1 47a9877b4d8e6542946128dfedf03345 [0,0,1,0,1,0|0,0,1]=3 2746 B11R1.4 C/C=C\CNCc1ccc[nH]1 05174d0779bab8116d50444aed9e3d68 [0,0,1,0,1,0|0,0,1]=3 2747 B11R1.4 C/C=C\CNCc1ccco1 79a54e4612f304871852c814349e97ae [0,0,1,0,1,0|1,0,0]=3 2748 B11R1.4 C/C=C\CNCc1cccs1 90ae977874f1093c22e37227e5f07811 [0,0,1,0,1,0|1,0,0]=3 2749 B11R1.4 C/C=C\CNCc1ccn[nH]1 0d55c987ea5a04ff9369dbd5ea0360ab [0,0,1,0,1,0|1,0,0]=3 2750 B11R1.4 C/C=C\CNCc1ccno1 661ab9b2ae6cce19066966b4df47525c [0,0,1,0,1,0|1,0,0]=3 2751 B11R1.4 C/C=C\CNCc1ccns1 382032fa04a1a7d21a68253a66ad4907 [0,0,1,0,1,0|1,0,0]=3 2752 B11R1.4 C/C=C\CNCc1ccoc1 03bbc0afd93832244514797866f142d4 [0,0,1,0,1,0|1,0,0]=3 2753 B11R1.4 C/C=C\CNCc1ccon1 cf126ff54b6cb53d130a645312fd9eba [0,0,1,0,1,0|1,0,0]=3 2754 B11R1.4 C/C=C\CNCc1ccsc1 2efdbc27b1e512e3e20d45ed741193ed [0,0,1,0,1,0|1,0,0]=3 2755 B11R1.4 C/C=C\CNCc1ccsn1 d3cdcd54e062a3b8d3b0d58ecea95108 [0,0,1,0,1,0|1,0,0]=3 2756 B11R1.4 C/C=C\CNCc1cn[nH]c1 37d9c481eb6e1d7b4d0acf85c1480412 [0,0,1,0,1,0|1,0,0]=3 2757 B11R1.4 C/C=C\CNCc1cnco1 9604be7b3f57017369abf7f79b0921e9 [0,0,1,0,1,0|1,0,0]=3 2758 B11R1.4 C/C=C\CNCc1cncs1 0d768373854819066425f9c9eacc1d7e [0,0,1,0,1,0|1,0,0]=3 2759 B11R1.4 C/C=C\CNCc1cnoc1 ecdee8c2086c5473bde14c8b0ef50040 [0,0,1,0,1,0|1,0,0]=3 2760 B11R1.4 C/C=C\CNCc1cnsc1 cb4b3fac6fc92cc244d3418d4cd0d373 [0,0,1,0,1,0|1,0,0]=3 2761 B11R1.4 C/C=C\CNCc1cocn1 022b7b447ae11a1c26e42261e53439bd [0,0,1,0,1,0|1,0,0]=3 2762 B11R1.4 C/C=C\CNCc1cscn1 e03902e2e2731f11a972d555a7492f8d [0,0,1,0,1,0|1,0,0]=3 2763 B11R1.4 C/C=C\CNCc1ncc[nH]1 4857f154bd3c84d3a08450ef5fc42437 [0,0,1,0,1,0|1,0,0]=3 2764 B11R1.4 C/C=C\CNCc1ncco1 ab3ff57004f46fce93b35b550436043f [0,0,1,0,1,0|1,0,0]=3 2765 B11R1.4 C/C=C\CNCc1nccs1 a29e39e34e0b75c1b25491843f2427b0 [0,0,1,0,1,0|1,0,0]=3 2766 B11R1.4 C/C=C\CNCc1ncn[nH]1 41d38970104bf04a62536d7f4ee330ab [0,0,1,0,1,0|2,0,0]=4 2767 B11R1.4 C/C=C\COCc1cc[nH]c1 e8fdfc3f516e436bb23f5e4a86329464 [0,0,1,0,1,0|1,0,1]=4 2768 B11R1.4 C/C=C\COCc1ccc[nH]1 e42c5b61141be0f957935dbf46949522 [0,0,1,0,1,0|1,0,1]=4 2769 B11R1.4 C/C=C\COCc1ccco1 c8ed74f9d5b47be1362fc9a6f608013c [0,0,1,0,1,0|2,0,0]=4 2770 B11R1.4 C/C=C\COCc1cccs1 9700c01be9dc61f49bb01eaf7efc6320 [0,0,1,0,1,0|2,0,0]=4 2771 B11R1.4 C/C=C\COCc1ccn[nH]1 dc1bfa8b05da72d23eea5246e22bb0bd [0,0,1,0,1,0|2,0,0]=4 2772 B11R1.4 C/C=C\COCc1ccno1 6f38a1fcfe63afc2d1928ce09f753bee [0,0,1,0,1,0|2,0,0]=4 2773 B11R1.4 C/C=C\COCc1ccns1 337d2cd01b86fa668da72ea2e718ec9b [0,0,1,0,1,0|2,0,0]=4 2774 B11R1.4 C/C=C\COCc1ccoc1 f06eedfb71cb840fe4e4e05fbe059cef [0,0,1,0,1,0|2,0,0]=4 2775 B11R1.4 C/C=C\COCc1ccon1 175b9d546708bd336e06d91468716f0f [0,0,1,0,1,0|2,0,0]=4 2776 B11R1.4 C/C=C\COCc1ccsc1 c240a4e641a11641eef4563e8a229c72 [0,0,1,0,1,0|2,0,0]=4 2777 B11R1.4 C/C=C\COCc1ccsn1 1a29cca63f36c6db153b4a66184beac6 [0,0,1,0,1,0|2,0,0]=4 2778 B11R1.4 C/C=C\COCc1cn[nH]c1 12cc514801250c99d68551561221e2f3 [0,0,1,0,1,0|2,0,0]=4 2779 B11R1.4 C/C=C\COCc1cnc[nH]1 d1d90d6edbe45b9c1d4181acbd296eb9 [0,0,1,0,1,0|2,0,0]=4 2780 B11R1.4 C/C=C\COCc1cnco1 41547edff5bfb7c2162e803060208958 [0,0,1,0,1,0|2,0,0]=4 2781 B11R1.4 C/C=C\COCc1cncs1 c66a6463d0c679cd29e6d083437a44ca [0,0,1,0,1,0|2,0,0]=4 2782 B11R1.4 C/C=C\COCc1cnoc1 d44cd1c0f39a4f973e4f34471fcfb545 [0,0,1,0,1,0|2,0,0]=4 2783 B11R1.4 C/C=C\COCc1cnsc1 33a85188572ef43b027ba2ff62da43b2 [0,0,1,0,1,0|2,0,0]=4 2784 B11R1.4 C/C=C\COCc1cocn1 890e521bf40d808f4227a005efedf28e [0,0,1,0,1,0|2,0,0]=4 2785 B11R1.4 C/C=C\COCc1cscn1 de0937b14a48b3aabddb77116e22bf02 [0,0,1,0,1,0|2,0,0]=4 2786 B11R1.4 C/C=C\COCc1ncc[nH]1 4a1bf584b3c6040f4969a88f001747e5 [0,0,1,0,1,0|2,0,0]=4 2787 B11R1.4 C/C=C\COCc1ncco1 081901ab45a8c9aa3d9bbc808e9399c9 [0,0,1,0,1,0|2,0,0]=4 2788 B11R1.4 C/C=C\COCc1nccs1 242d5f84ee7de8290f5932daa3f2492e [0,0,1,0,1,0|2,0,0]=4 2789 B11R1.4 C/C=C\COCn1cccn1 e8dff64a69e0a286a44b6dc64ef831f6 [0,0,1,0,1,0|2,0,0]=4 2790 B11R1.4 C/C=C\COCn1ccnc1 63d1c5ef5b0363042a998e45b9fafea1 [0,0,1,0,1,0|2,0,0]=4 2791 B11R1.4 CC=CCNCc1ccco1 93b0977547955daa12d9231035c95511 [0,0,1,0,1,0|1,0,0]=3 2792 B11R1.4 CC=CCNCc1cccs1 264689ddcbf6542f395ea120d758e95a [0,0,1,0,1,0|1,0,0]=3 2793 B11R1.4 CC=CCNCc1ccno1 10582f50c7d667073d3378a4e5ca49bc [0,0,1,0,1,0|1,0,0]=3 2794 B11R1.4 CC=CCNCc1ccon1 69bbd63a98facc0a80119f758dd677b0 [0,0,1,0,1,0|1,0,0]=3 2795 B11R1.4 CC=CCNCc1ccsc1 d6f78a6f20af9ea0d19c1bf86fcebbca [0,0,1,0,1,0|1,0,0]=3 2796 B11R1.4 CC=CCNCc1cnc[nH]1 f59d5593b469cb6aca39b61dc60f8003 [0,0,1,0,1,0|1,0,0]=3 2797 B11R1.4 CC=CCNCc1cnco1 927c656b61dcf8cd5a6893ea3a415f8c [0,0,1,0,1,0|1,0,0]=3 2798 B11R1.4 CC=CCNCc1cnoc1 422d6c31b2c47770698223b4813199c1 [0,0,1,0,1,0|1,0,0]=3 2799 B11R1.4 CC=CCNCc1cocn1 771bf96afc102be069ed7c0037f6245d [0,0,1,0,1,0|1,0,0]=3 2800 B11R1.4 CC=CCNCc1cscn1 586f255e5ebb0886409f2c2be2ec58b1 [0,0,1,0,1,0|1,0,0]=3 2801 B11R1.4 CC=CCNCc1nc[nH]n1 169162bb9f8e9a8425ad360b01aa5ccc [0,0,1,0,1,0|2,0,0]=4 2802 B11R1.4 CC=CCNCc1ncc[nH]1 1999b48096a8b6c855178a26d1594441 [0,0,1,0,1,0|1,0,0]=3 2803 B11R1.4 CC=CCNCc1ncco1 8bc2a249f4dadd7c243304498e414151 [0,0,1,0,1,0|1,0,0]=3 2804 B11R1.4 CC=CCNCc1nccs1 8daba375a21d1e19724f4f5601504917 [0,0,1,0,1,0|1,0,0]=3 2805 B11R1.4 CC=CCNCc1ncno1 df2ced66a5845072a7a4a5ad7b733b54 [0,0,1,0,1,0|2,0,0]=4 2806 B11R1.4 CC=CCNCc1ncon1 88563962614d9d9205f6020999f59e53 [0,0,1,0,1,0|2,0,0]=4 2807 B11R1.4 CC=CCNCc1nnco1 20e5907d88ee464fd56528501c24e078 [0,0,1,0,1,0|2,0,0]=4 2808 B11R1.4 CC=CCNCn1cncn1 acca4c22ced81e855fb02800b0a24183 [0,0,1,0,1,0|2,0,0]=4 2809 B11R1.4 CC=CCNCn1nccn1 b5cecca749027520bc1fd2edde46d358 [0,0,1,0,1,0|2,0,0]=4 2810 B11R1.4 CC=CCOCc1ccco1 dc3cec4134945ebcad231e18b81cc5d3 [0,0,1,0,1,0|2,0,0]=4 2811 B11R1.4 CC=CCOCc1cccs1 a85444efc8683e9d97d7021c75bcd25f [0,0,1,0,1,0|2,0,0]=4 2812 B11R1.4 CC=CCOCc1ccno1 93d38029e6a5ce212c0f61838b9db7a9 [0,0,1,0,1,0|2,0,0]=4 2813 B11R1.4 CC=CCOCc1ccon1 b6727927828328b061cdf091cea6e047 [0,0,1,0,1,0|2,0,0]=4 2814 B11R1.4 CC=CCOCc1ccsc1 3276975b86c7063b83e658f74f42f485 [0,0,1,0,1,0|2,0,0]=4 2815 B11R1.4 CC=CCOCc1cnc[nH]1 a1e4bf89f07252c64168f2b1aae64ec6 [0,0,1,0,1,0|2,0,0]=4 2816 B11R1.4 CC=CCOCc1cnco1 69f8345187f63a30def3761b1e16d558 [0,0,1,0,1,0|2,0,0]=4 2817 B11R1.4 CC=CCOCc1cnoc1 738791aeac278c967ccdbb50c435e9e4 [0,0,1,0,1,0|2,0,0]=4 2818 B11R1.4 CC=CCOCc1cocn1 e6a4fe4f4d343c796f659dbb6e0c47ce [0,0,1,0,1,0|2,0,0]=4 2819 B11R1.4 CC=CCOCc1cscn1 2a6eb2187e67fef99847620f649a9f3c [0,0,1,0,1,0|2,0,0]=4 2820 B11R1.4 CC=CCOCc1ncc[nH]1 5083baa5f6cb77b0cac935bd8e59290d [0,0,1,0,1,0|2,0,0]=4 2821 B11R1.4 CC=CCOCc1ncco1 f87974903f903dd3175b8068a4a6fbd3 [0,0,1,0,1,0|2,0,0]=4 2822 B11R1.4 CC=CCOCc1nccs1 4cbe85e1308d87c174a092690e007ac2 [0,0,1,0,1,0|2,0,0]=4 2823 B11R1.4 Cl/C=C/CNCc1cc[nH]c1 0c2b41ffad08784d10e02ae22a6bb4c8 [0,0,1,0,1,0|1,0,1]=4 2824 B11R1.4 Cl/C=C/CNCc1ccc[nH]1 e6e090c605f1418295cdb1d31ef00265 [0,0,1,0,1,0|1,0,1]=4 2825 B11R1.4 Cl/C=C/CNCc1ccco1 9ed621f31ee42a26f2b2fd995cbbe3f4 [0,0,1,0,1,0|2,0,0]=4 2826 B11R1.4 Cl/C=C/CNCc1cccs1 a25b18b791d1982c9700f739a4f4f0a0 [0,0,1,0,1,0|2,0,0]=4 2827 B11R1.4 Cl/C=C/CNCc1ccn[nH]1 53fa85f97722bace0303baf1e2b1aa7f [0,0,1,0,1,0|2,0,0]=4 2828 B11R1.4 Cl/C=C/CNCc1ccno1 d1da9b89c84eb558941d56f419d8e509 [0,0,1,0,1,0|2,0,0]=4 2829 B11R1.4 Cl/C=C/CNCc1ccns1 0a6ec0931da6895539e22c361acbecee [0,0,1,0,1,0|2,0,0]=4 2830 B11R1.4 Cl/C=C/CNCc1ccoc1 c8b94412ddf9d3063b35643ffc03ba6d [0,0,1,0,1,0|2,0,0]=4 2831 B11R1.4 Cl/C=C/CNCc1ccon1 80d64ae7f6ae6f430b2c5fc0cabcf251 [0,0,1,0,1,0|2,0,0]=4 2832 B11R1.4 Cl/C=C/CNCc1ccsc1 73830cba3782213087597e19ae44df22 [0,0,1,0,1,0|2,0,0]=4 2833 B11R1.4 Cl/C=C/CNCc1ccsn1 67b4acf041b82a1f04fa1afa3ffe3437 [0,0,1,0,1,0|2,0,0]=4 2834 B11R1.4 Cl/C=C/CNCc1cn[nH]c1 24d762b366682383f697d792d5970b9e [0,0,1,0,1,0|2,0,0]=4 2835 B11R1.4 Cl/C=C/CNCc1cnco1 712cf1dafd729971bb06d8c30f6aa30c [0,0,1,0,1,0|2,0,0]=4 2836 B11R1.4 Cl/C=C/CNCc1cncs1 1d618147652fe9f29657f5a9bc104fdb [0,0,1,0,1,0|2,0,0]=4 2837 B11R1.4 Cl/C=C/CNCc1cnoc1 8f049969128fb649e2c72c0d2891320d [0,0,1,0,1,0|2,0,0]=4 2838 B11R1.4 Cl/C=C/CNCc1cnsc1 6ffb4f5d314e0dbac6520157412f7e5e [0,0,1,0,1,0|2,0,0]=4 2839 B11R1.4 Cl/C=C/CNCc1cocn1 2b0933b52fc47ef50e645e6aeab7eeee [0,0,1,0,1,0|2,0,0]=4 2840 B11R1.4 Cl/C=C/CNCc1cscn1 252a7378e9d1bdcedb15f237c6e367fc [0,0,1,0,1,0|2,0,0]=4 2841 B11R1.4 Cl/C=C/CNCc1ncc[nH]1 7e2e7b1324d169f8624118e610cde05b [0,0,1,0,1,0|2,0,0]=4 2842 B11R1.4 Cl/C=C/CNCc1ncco1 1d8f3c7dc7d59060d82724b440508832 [0,0,1,0,1,0|2,0,0]=4 2843 B11R1.4 Cl/C=C/CNCc1nccs1 5e4e1d35c6b2e89eafb9afb4f77e6d9c [0,0,1,0,1,0|2,0,0]=4 2844 B11R1.4 Cl/C=C\CNCc1cc[nH]c1 2adff46efb27f556c5bff9e81d94aad3 [0,0,1,0,1,0|1,0,1]=4 2845 B11R1.4 Cl/C=C\CNCc1ccc[nH]1 f8f54c3b853fb063875a6be8eef443c7 [0,0,1,0,1,0|1,0,1]=4 2846 B11R1.4 Cl/C=C\CNCc1ccco1 f80d60f40bca3528f20004e9e7f33d02 [0,0,1,0,1,0|2,0,0]=4 2847 B11R1.4 Cl/C=C\CNCc1cccs1 69a529034fe8a7ae06825b38d49c113a [0,0,1,0,1,0|2,0,0]=4 2848 B11R1.4 Cl/C=C\CNCc1ccn[nH]1 87efd11c853bff686c330d8190b83a17 [0,0,1,0,1,0|2,0,0]=4 2849 B11R1.4 Cl/C=C\CNCc1ccno1 d8a49b45989960d3595cc11df86e1487 [0,0,1,0,1,0|2,0,0]=4 2850 B11R1.4 Cl/C=C\CNCc1ccns1 be69b61508686b402ed638ff2f646c49 [0,0,1,0,1,0|2,0,0]=4 2851 B11R1.4 Cl/C=C\CNCc1ccoc1 75385061d60893563749c12cb4ee1ae5 [0,0,1,0,1,0|2,0,0]=4 2852 B11R1.4 Cl/C=C\CNCc1ccon1 dcb620420a9a0c70a56ca1ebdf649cf4 [0,0,1,0,1,0|2,0,0]=4 2853 B11R1.4 Cl/C=C\CNCc1ccsc1 2fb3f967bd766277dd902770c184b815 [0,0,1,0,1,0|2,0,0]=4 2854 B11R1.4 Cl/C=C\CNCc1ccsn1 d3a3f68ad87c7bb8cad0c9f8ad8722e3 [0,0,1,0,1,0|2,0,0]=4 2855 B11R1.4 Cl/C=C\CNCc1cn[nH]c1 f2f951a7f4455907746515f798d8cfe0 [0,0,1,0,1,0|2,0,0]=4 2856 B11R1.4 Cl/C=C\CNCc1cnco1 97ea3170ee591e5a3eeb600e42eed205 [0,0,1,0,1,0|2,0,0]=4 2857 B11R1.4 Cl/C=C\CNCc1cncs1 a672f2b1753b5cf44ee5823ef15c5a6b [0,0,1,0,1,0|2,0,0]=4 2858 B11R1.4 Cl/C=C\CNCc1cnoc1 e150b60a706d65114d126fb564f8d460 [0,0,1,0,1,0|2,0,0]=4 2859 B11R1.4 Cl/C=C\CNCc1cnsc1 5a91e1956c127981887efc744e8fb028 [0,0,1,0,1,0|2,0,0]=4 2860 B11R1.4 Cl/C=C\CNCc1cocn1 37ca7dee4a473f7ae33b17604e0ba412 [0,0,1,0,1,0|2,0,0]=4 2861 B11R1.4 Cl/C=C\CNCc1cscn1 f43f5dbab0842d751801308aca401305 [0,0,1,0,1,0|2,0,0]=4 2862 B11R1.4 Cl/C=C\CNCc1ncc[nH]1 7acab687f9c57f13e8925d2b49e255ce [0,0,1,0,1,0|2,0,0]=4 2863 B11R1.4 Cl/C=C\CNCc1ncco1 b57c04ed2af63791a8aefa7b8a3319b6 [0,0,1,0,1,0|2,0,0]=4 2864 B11R1.4 Cl/C=C\CNCc1nccs1 c93684262c1c0f5a8a395998dc1d92ae [0,0,1,0,1,0|2,0,0]=4 2865 B11R1.4 O/C=C\CNCc1cc[nH]c1 80a6f0afdac97dc7342ea8dd5e11d94a [0,0,1,0,1,0|1,0,1]=4 2866 B11R1.4 O/C=C\CNCc1ccc[nH]1 cdc64afbe373c5ed509d1453f1588f9b [0,0,1,0,1,0|1,0,1]=4 2867 B11R1.4 O/C=C\CNCc1ccco1 2c8153362798b4c1d1214ba32358792f [0,0,1,0,1,0|2,0,0]=4 2868 B11R1.4 O/C=C\CNCc1cccs1 1a824045f55a5417e73244e162f6f911 [0,0,1,0,1,0|2,0,0]=4 2869 B11R1.4 O/C=C\CNCc1ccn[nH]1 3c9ce4465f7cce48df8759afb09bb4ba [0,0,1,0,1,0|2,0,0]=4 2870 B11R1.4 O/C=C\CNCc1ccno1 a6080fdba40e51310007ee8a0117d002 [0,0,1,0,1,0|2,0,0]=4 2871 B11R1.4 O/C=C\CNCc1ccns1 cb3fdb941b35479de9d3f0ec15d00d01 [0,0,1,0,1,0|2,0,0]=4 2872 B11R1.4 O/C=C\CNCc1ccoc1 54736c4c05a321d7d171e5ab041b9d9f [0,0,1,0,1,0|2,0,0]=4 2873 B11R1.4 O/C=C\CNCc1ccon1 d85ce2eff61e9b3f352fc8ba97c3e3e2 [0,0,1,0,1,0|2,0,0]=4 2874 B11R1.4 O/C=C\CNCc1ccsc1 162cce3622a43b8db30bcf8169ee8f86 [0,0,1,0,1,0|2,0,0]=4 2875 B11R1.4 O/C=C\CNCc1ccsn1 cd4fb66be17953bf9f13caa2d72723ac [0,0,1,0,1,0|2,0,0]=4 2876 B11R1.4 O/C=C\CNCc1cn[nH]c1 53e3efc55b6646a7c4038d997a68b6a9 [0,0,1,0,1,0|2,0,0]=4 2877 B11R1.4 O/C=C\CNCc1cnco1 c08485a60e99f9abb823ce7e4a33565e [0,0,1,0,1,0|2,0,0]=4 2878 B11R1.4 O/C=C\CNCc1cncs1 d7396d511ba9f9229d48ca400cceeeae [0,0,1,0,1,0|2,0,0]=4 2879 B11R1.4 O/C=C\CNCc1cnoc1 cfe3d8cf82df73f784fe88eaee6dada1 [0,0,1,0,1,0|2,0,0]=4 2880 B11R1.4 O/C=C\CNCc1cnsc1 d9b1a00dc9d92b24d01605c2123166a7 [0,0,1,0,1,0|2,0,0]=4 2881 B11R1.4 O/C=C\CNCc1cocn1 fd71bcc5ea417dd89588f3d4179ba6d7 [0,0,1,0,1,0|2,0,0]=4 2882 B11R1.4 O/C=C\CNCc1cscn1 07d587c07616455f7664eb8b8a17cea6 [0,0,1,0,1,0|2,0,0]=4 2883 B11R1.4 O/C=C\CNCc1ncc[nH]1 5045e08cbe6eadc207500a8ed9f8fd06 [0,0,1,0,1,0|2,0,0]=4 2884 B11R1.4 O/C=C\CNCc1ncco1 63b2c0f894e5517d4ba83309d05c34ec [0,0,1,0,1,0|2,0,0]=4 2885 B11R1.4 O/C=C\CNCc1nccs1 2f940609c827d69b15a5b37a18155791 [0,0,1,0,1,0|2,0,0]=4 2886 B11R1.29 C=CCNC(C)c1cc[nH]n1 6a32c71afc34f988f5adcd1ce6bfc1c6 [0,0,1,0,1,0|1,0,0]=3 2887 B11R1.29 C=CCNC(C)c1ccco1 6292665a2c579f9ac6e7880c8e36734b [0,0,1,0,1,0|1,0,0]=3 2888 B11R1.29 C=CCNC(C)c1cccs1 f22ddbefe2aea7cde746cb57d71da3ef [0,0,1,0,1,0|1,0,0]=3 2889 B11R1.29 C=CCNC(C)c1ccoc1 c24816d299cc7df655ec7cc9f19998e3 [0,0,1,0,1,0|1,0,0]=3 2890 B11R1.29 C=CCNC(C)c1ccon1 dbf789b78f2c1c8fdd858e56cc54038f [0,0,1,0,1,0|1,0,0]=3 2891 B11R1.29 C=CCNC(C)c1ccsc1 65158add4168c3a47d67048546e9d1ed [0,0,1,0,1,0|1,0,0]=3 2892 B11R1.29 C=CCNC(C)c1cn[nH]c1 e28c602f04ad3fc24b55cbbbcba11377 [0,0,1,0,1,0|1,0,0]=3 2893 B11R1.29 C=CCNC(C)c1cncs1 1b40e91c30dec9afc90f2b26cf0d87cf [0,0,1,0,1,0|1,0,0]=3 2894 B11R1.29 C=CCNC(C)c1cscn1 1eb417a85bd68ed3ff93c43c6bdc4dc5 [0,0,1,0,1,0|1,0,0]=3 2895 B11R1.29 C=CCNC(C)c1ncco1 442cb9cecae82167f52e88f73b61eede [0,0,1,0,1,0|1,0,0]=3 2896 B11R1.29 C=CCNC(C)c1nccs1 bb4ba4eb040f0dca91040299fcc0fe60 [0,0,1,0,1,0|1,0,0]=3 2897 B11R1.29 C=CCNC(C)c1nnco1 07696a26573c45644af74049e8e2e94d [0,0,1,0,1,0|2,0,0]=4 2898 B11R1.29 C=CCN[C@@H](C)c1cccs1 e514a111f25cdb86524bc84c09cc6ffa [0,0,1,0,1,0|1,0,0]=3 2899 B11R1.29 C=CCN[C@@H](C)c1ccoc1 ce6a49ee5b3734ba6a90375267a04e63 [0,0,1,0,1,0|1,0,0]=3 2900 B11R1.29 C=CCN[C@@H](C)c1ccsc1 395e9358dcef684a2f0ce2ec0b9d757e [0,0,1,0,1,0|1,0,0]=3 2901 B11R1.29 C=CCN[C@@H](C)c1cncs1 025f4dcaf4d8f1fa582c0f9bc9b5b6a1 [0,0,1,0,1,0|1,0,0]=3 2902 B11R1.29 C=CCN[C@@H](C)c1nccs1 85922511b4f049f63caaf06fc6506d36 [0,0,1,0,1,0|1,0,0]=3 2903 B11R1.29 C=CCN[C@H](C)c1ccco1 cf5a973c46acda6a5ed1f2d99c123c15 [0,0,1,0,1,0|1,0,0]=3 2904 B11R1.29 C=CCN[C@H](C)c1cccs1 2a3823d0169aae2ded8937d4a28ba145 [0,0,1,0,1,0|1,0,0]=3 2905 B11R1.29 C=CCOC(C)c1cc[nH]n1 292e4a9349513676a27bcdb77aff446f [0,0,1,0,1,0|2,0,0]=4 2906 B11R1.29 C=CCOC(C)c1ccco1 ff803ec402f7b75d6a4ba22a9387846f [0,0,1,0,1,0|2,0,0]=4 2907 B11R1.29 C=CCOC(C)c1cccs1 737612bf54e5b5d09dc41cc2336674eb [0,0,1,0,1,0|2,0,0]=4 2908 B11R1.29 C=CCOC(C)c1ccoc1 e890e39179d0b3b8a22ebe7c32e08d30 [0,0,1,0,1,0|2,0,0]=4 2909 B11R1.29 C=CCOC(C)c1ccsc1 753f0a1043d6765277ec4851a7e97ed9 [0,0,1,0,1,0|2,0,0]=4 2910 B11R1.29 C=CCOC(C)c1cn[nH]c1 8a13ebc75059e63152afef739de09b04 [0,0,1,0,1,0|2,0,0]=4 2911 B11R1.29 C=CCOC(C)c1cncs1 d3f66d5771f16a9151f439e7e65608cd [0,0,1,0,1,0|2,0,0]=4 2912 B11R1.29 C=CCOC(C)c1ncc[nH]1 db3197fb9397149c3497c8f67c6685ba [0,0,1,0,1,0|2,0,0]=4 2913 B11R1.29 C=CCOC(C)c1nccs1 6ad07d04f42b7924a533a6a96f8a39f9 [0,0,1,0,1,0|2,0,0]=4 2914 B11R1.29 C=CCO[C@@H](C)c1cccs1 d748d7ebe38267f5330b922f2cf878e2 [0,0,1,0,1,0|2,0,0]=4 2915 B11R1.29 C=CCO[C@@H](C)c1nccs1 03b06c3b0bd54324182459aba211a250 [0,0,1,0,1,0|2,0,0]=4 2916 B11R1.29 C=CCO[C@H](C)c1ccco1 a1795675523d618eddea2e5106c540b3 [0,0,1,0,1,0|2,0,0]=4 2917 B11R1.29 C=CCO[C@H](C)c1cccs1 0f891e0cf164c03e1b1ab0f8987445cf [0,0,1,0,1,0|2,0,0]=4 2918 B11R1.29 C=CCO[C@H](C)c1nccs1 f138d4a1f932555ca61a15baafd54ddb [0,0,1,0,1,0|2,0,0]=4 2919 B11R1.29 CC(NCC=O)c1cc[nH]n1 b277fae237ad4aedb84d12fc7a389c98 [0,0,1,0,1,0|2,0,0]=4 2920 B11R1.29 CC(NCC=O)c1ccco1 0e1e5093d955a35b015ca7d7478c2677 [0,0,1,0,1,0|2,0,0]=4 2921 B11R1.29 CC(NCC=O)c1cccs1 c3b533f89fee80114d631ff64d2a81ef [0,0,1,0,1,0|2,0,0]=4 2922 B11R1.29 CC(NCC=O)c1ccoc1 0666d2a7d494a2be34e8ed49ddfb5f77 [0,0,1,0,1,0|2,0,0]=4 2923 B11R1.29 CC(NCC=O)c1ccon1 23990ee2f67805d75be6ccbfa3cd1611 [0,0,1,0,1,0|2,0,0]=4 2924 B11R1.29 CC(NCC=O)c1ccsc1 c01393f95f09f65759662875c44f4c05 [0,0,1,0,1,0|2,0,0]=4 2925 B11R1.29 CC(NCC=O)c1cn[nH]c1 01298e74dbdf3911047286abfdf8e577 [0,0,1,0,1,0|2,0,0]=4 2926 B11R1.29 CC(NCC=O)c1cncs1 8aa8f8b1b67b04439320a476cd423d87 [0,0,1,0,1,0|2,0,0]=4 2927 B11R1.29 CC(NCC=O)c1cscn1 109dff895256f20b6ac18e4c1d22e64e [0,0,1,0,1,0|2,0,0]=4 2928 B11R1.29 CC(NCC=O)c1ncco1 a55be7bbd4939cf7c546a66c786bea6e [0,0,1,0,1,0|2,0,0]=4 2929 B11R1.29 CC(NCC=O)c1nccs1 e0054283662f9cc083e494d6c1bc0151 [0,0,1,0,1,0|2,0,0]=4 2930 B11R1.29 C[C@@H](NCC=O)c1ccco1 ebe7825b8377cd14ca66ed9d1bf50ad5 [0,0,1,0,1,0|2,0,0]=4 2931 B11R1.29 C[C@@H](NCC=O)c1cccs1 a6079db1f193b74e2d1353f03805bc32 [0,0,1,0,1,0|2,0,0]=4 2932 B11R1.29 C[C@H](NCC=O)c1cccs1 a7d099a0c178d2f28e5fa385a780a97c [0,0,1,0,1,0|2,0,0]=4 2933 B11R1.29 C[C@H](NCC=O)c1ccoc1 5cc17edcbd2d0191ba3f259e833fd447 [0,0,1,0,1,0|2,0,0]=4 2934 B11R1.29 C[C@H](NCC=O)c1ccsc1 d1dd735025d74f5eaa306904865f56b1 [0,0,1,0,1,0|2,0,0]=4 2935 B11R1.29 C[C@H](NCC=O)c1cncs1 52b1e378ecb7618166535d83703ea0fa [0,0,1,0,1,0|2,0,0]=4 2936 B11R1.29 C[C@H](NCC=O)c1nccs1 392baf6a64090f468ca4adb46482e33f [0,0,1,0,1,0|2,0,0]=4 2937 B13R1.79 C=CCN(CC)Cc1cccnc1 099bb5f2764c41c1d704d6b73c1ea893 [0,0,1,0,0,1|2,0,0]=4 2938 B15R2.2167 C1=CCCC(CC1)Nc2cccnc2 a9d88cb572e2e58edc4c63d6b0c9bdc3 [0,0,0,0,0,2|1,0,0]=3 2939 B15R2.2195 C1=CCC(CC1)CNc2ccccc2 0e237255ad83f6c811cda9dad91fd5eb [0,0,0,0,0,2|2,0,0]=4 2940 B15R2.2195 C1=CCC(CC1)CNc2cccnc2 4debab8ec2df4d92c021bf03542a78b8 [0,0,0,0,0,2|1,0,0]=3 2941 B15R2.2195 C1=CCC(CC1)CNc2cccnn2 2d0c728acaef6665530e3eb11ba4cfdb [0,0,0,0,0,2|2,0,0]=4 2942 B15R2.2195 C1=CCC(CC1)CNc2ccnnc2 fc4fdc183e021d05ad7eb873615d3af1 [0,0,0,0,0,2|2,0,0]=4 2943 B15R2.2195 C1=CCC(CC1)CNc2cnccn2 39897ad1fbb0707f3ae2958de357be41 [0,0,0,0,0,2|2,0,0]=4 2944 B15R2.2195 C1=CCC(CC1)CNc2cncnc2 9bb148594448f2c57bfabaa1e3300b8c [0,0,0,0,0,2|2,0,0]=4 2945 B15R2.2195 C1=CCC(CC1)COc2cccnc2 3278d44be03761e1f47be2d6ba5a7ae9 [0,0,0,0,0,2|1,0,0]=3 2946 B15R2.2195 C1=CCC(CC1)COc2ccnnc2 e1f1215ce69c3b90dc9b42cf6c7fc4e2 [0,0,0,0,0,2|2,0,0]=4 2947 B15R2.2195 C1=CCC(CC1)COc2cnccn2 e06e173271b98f327eb7d5d67372a09c [0,0,0,0,0,2|2,0,0]=4 2948 B15R2.2195 C1=CCC(CC1)COc2cncnc2 3e80a76d32e49e79237f2e0e0dca6d56 [0,0,0,0,0,2|2,0,0]=4 2949 B15R2.2195 C1=CCC(CC1)OCc2ccccc2 32b6f4836de2f709f2caeebb8a5e5a67 [0,0,0,0,0,2|2,0,0]=4 2950 B15R2.2195 C1=CCC(CC1)OCc2cccnc2 9aa28896c3a123ba1667d548a09e0682 [0,0,0,0,0,2|1,0,0]=3 2951 B15R2.2195 C1=CCC(CC1)OCc2cccnn2 c82ba6142c74c51efc21bd69fc35af3e [0,0,0,0,0,2|2,0,0]=4 2952 B15R2.2195 C1=CCC(CC1)OCc2cncnc2 30d0a9aae6491275174751c539a492e6 [0,0,0,0,0,2|2,0,0]=4 2953 B15R2.2195 C1=CCN(CC1)CCc2cccnc2 3575aea644f4c3d070d0b20757b707c4 [0,0,0,0,0,2|2,0,0]=4