0 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 CC(=O)Nc1cccnn1 0f494122953745d5434019dc2597dec3 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(=O)Nc1ccncn1 21d9a226b27ccfaa0b4194dd907a60f4 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.18 CC(=O)Nc1ccnnc1 13b7327c392c1dda0e0267bb7d63e990 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 O=C(O)CN1CC=CCC1 2ec65e7b8b50a2d37f2f7faf07e4bb0e [0,0,0,0,0,0|1,0,3]=4 9 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 O=CNc1ccncc1 e7930a19a74453c18ec50a777f694607 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 O=CNc1ccncn1 2441242a2ef010826c6f20d4fd1c9498 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 O=CNc1cnccn1 ec20f366f13fc090e89d88d03c632299 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 OCNc1ccncc1 25e64b963b18028da179c82ed337c929 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.20 CC(=O)Nc1ccc(cc1)F 35105970c39c6553f59bdacc3f8071bb [0,1,0,0,0,0|2,0,0]=3 24 B11R1.20 CC(=O)Nc1ccc(cc1)I c967834114ba48c24e889d26c320f98c [0,1,0,0,0,0|2,0,0]=3 25 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [0,1,0,0,0,0|2,0,0]=3 26 B11R1.20 CC(=O)Nc1ccc(cc1)S 7fe298b0f3eca305b78c07db23ad9c9f [0,1,0,0,0,0|2,0,0]=3 27 B11R1.20 CC(=O)Nc1ccc(cn1)C 2566880c2cbd95238b8573fbab7352b5 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.20 CC(=O)Nc1ccc(cn1)F 3f83a13c2f6c9200683a59445f5568b5 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.20 CC(=O)Nc1ccc(cn1)I f69d5717020ba5469ac098b5ee595c2e [0,1,0,0,0,0|3,0,0]=4 30 B11R1.20 CC(=O)Nc1ccc(cn1)O 1774c40981e4bef395b20bb0cec3048d [0,1,0,0,0,0|3,0,0]=4 31 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.20 CC(=O)Nc1ccc(nc1)F d95b06008ed9858976947678a788c0d4 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.20 CC(=O)Nc1ccc(nc1)I 4875ca9d40de97c8bc9a2f1b043085ee [0,1,0,0,0,0|3,0,0]=4 34 B11R1.36 CC(=O)N(C)c1ccccn1 3b204f817d8bae885450195e4bca3293 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.36 CC(=O)N(C)c1cccnc1 99d370e4887dccbc66fa5e316a815456 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.36 CC(=O)N(C)c1ccncc1 92a60507d9bf675ae196cc0294354361 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.40 C#CC(=O)Nc1ccccn1 c1462a2e7dbd34f49e0ec8b0b6e4c099 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.40 C#CC(=O)Nc1cccnc1 fede9ede802accf01a2dd7068bdd2f92 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.40 C#CC(=O)Nc1ccncc1 7e9563fca94f65240a5e54094d485c14 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.40 C=CC(=O)Nc1ccccn1 34fef90711dfcaefc277492e72bbe936 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [0,1,0,0,0,0|3,0,0]=4 43 B11R1.40 C=CC(=O)Nc1ccncc1 415f0c78f33533c78fc6ab46a82fb4b2 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [0,1,0,0,0,0|2,0,1]=4 45 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,1,0,0,0,0|3,0,0]=4 47 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,1,0,0,0,0|3,0,0]=4 48 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,1,0,0,0,0|3,0,0]=4 49 B11R1.40 CN(C=O)Cc1ccccc1 701ed8237afa851586621908f176512f [0,1,0,0,0,0|2,0,0]=3 50 B11R1.40 CN(C=O)Cc1ccccn1 e1588a36a59add4eaf224b7ea271ab51 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.40 CN(C=O)Cc1cccnc1 ffa035f03a82f49c9d004e6e7105924f [0,1,0,0,0,0|3,0,0]=4 52 B11R1.40 CN(C=O)Cc1ccncc1 a539f04945f92d40e9c197fd41216c1b [0,1,0,0,0,0|3,0,0]=4 53 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.40 CN(CO)Cc1ccccn1 a4ef6b4247ef0972f7871752389806bb [0,1,0,0,0,0|3,0,0]=4 56 B11R1.40 CN(CO)Cc1cccnc1 bdae5dd3c0107b4a15ddef98331c4b4c [0,1,0,0,0,0|3,0,0]=4 57 B11R1.40 CN(CO)Cc1ccncc1 82d474736717cd4ad3b664282e77f89c [0,1,0,0,0,0|3,0,0]=4 58 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [0,1,0,0,0,0|2,0,1]=4 60 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.40 O=C(CF)Nc1ccccn1 2ce6af3846508f1cbf20b58b7e69e973 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,1,0,0,0,0|3,0,0]=4 63 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.40 O=C(CO)Nc1cccnn1 e2ead558693a8d15dba073147810db17 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.40 O=C(CO)Nc1ccncn1 1ec35e9ab589eb6ea004d772ff8dd3ef [0,1,0,0,0,0|3,0,0]=4 67 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,1,0,0,0,0|3,0,0]=4 68 B11R1.40 O=C(CS)Nc1ccccn1 a5e554850131abc66cd7cf28616b9ec8 [0,1,0,0,0,0|2,1,0]=4 69 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.40 O=CC(=O)Nc1ccccn1 9dee939f22a8949e3604743fdb4606fc [0,1,0,0,0,0|2,0,1]=4 71 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.40 O=CC(=O)Nc1ccncc1 4b5bab6fe314b5f2251f228c60250dcd [0,1,0,0,0,0|2,0,1]=4 73 B11R1.86 CC(=O)Nc1ccccc1C 7049a69ccf4e362820a37d19b9dcdc8e [0,1,0,0,0,0|2,0,0]=3 74 B11R1.86 CC(=O)Nc1ccccc1F 8577dda07f10b24e878efc2b8c63979b [0,1,0,0,0,0|2,0,0]=3 75 B11R1.86 CC(=O)Nc1ccccc1I def7ccb67f6a04593a954aa370725476 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.86 CC(=O)Nc1ccccc1O e286e23dcc389b9a19e5097225c5ef71 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.86 CC(=O)Nc1ccccc1S 1242ce70ea265424048fd46add1f1131 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.86 CC(=O)Nc1cccnc1C cb746ed6a78728abfd09af911ecd9df1 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.86 CC(=O)Nc1cccnc1Cl d6108d611ff0956d8f248587b24194a3 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.86 CC(=O)Nc1cccnc1F 14d1358323375dfcd1ff37fd32da5eb9 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.86 CC(=O)Nc1cccnc1I 467bfbcd2f98dc2da33396f6c3169a29 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.86 CC(=O)Nc1cccnc1O 7fcf288ae770f8f4e3cf6493eee6512f [0,1,0,0,0,0|3,0,0]=4 83 B11R1.86 CC(=O)Nc1ccncc1C c5c42e159450bf609b124aefb3b1a0c2 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.86 CC(=O)Nc1ccncc1F c0f8b81507f6f0da50422e6a37679a28 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.86 CC(=O)Nc1ccncc1I dc888df548d325d9701c437394dfdc81 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.86 CC(=O)Nc1cnccc1C 008c73bad38e7c0ad3042f8c5e2eeef6 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.86 CC(=O)Nc1cnccc1F fb86cc23bed5784da517c22693fa424f [0,1,0,0,0,0|3,0,0]=4 88 B11R1.86 CC(=O)Nc1cnccc1I f9bbe3b48c30df8d0dae6d2447ab7b64 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.86 CC(=O)Nc1cnccc1O 026ebb27f2a3ead3d67bfa6a1c65cef8 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.86 CC(=O)Nc1ncccc1C 3c6d5cf596b0e21248657879e826b561 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.86 CC(=O)Nc1ncccc1Cl 046176b1d66345ef27a31d8dec48e176 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.86 CC(=O)Nc1ncccc1F 538d1f7d9dce9c391c2889dad2906996 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.86 CC(=O)Nc1ncccc1I e16450fdd7c598f0519f5a1ac3923512 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.86 CC(=O)Nc1ncccc1O b5c4643233d4c0cd6f7c1f9da29da199 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.157 CC(=O)Nc1cc(ccn1)C 11bb75cefcc8e0053d4aa87066be916d [0,1,0,0,0,0|3,0,0]=4 96 B11R1.157 CC(=O)Nc1cc(ccn1)F 8e862ac7c7b42cf4a874c98f7685acd6 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.157 CC(=O)Nc1cc(ccn1)O a3610b7684ca29dc38fcb0bb43d220bb [0,1,0,0,0,0|3,0,0]=4 98 B11R1.157 CC(=O)Nc1cccc(c1)C 9a7c9b465401dd095659742e6c3e194a [0,1,0,0,0,0|2,0,0]=3 99 B11R1.157 CC(=O)Nc1cccc(c1)Cl a4a6d31d02767cbd28a554abdc9d7f9c [0,1,0,0,0,0|2,0,0]=3 100 B11R1.157 CC(=O)Nc1cccc(c1)F c6f0d045fd7da349c2147d19a6b5c925 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.157 CC(=O)Nc1cccc(c1)I 6985e662c065e5f04703904aecec87c5 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.157 CC(=O)Nc1cccc(c1)O 83fd7000bcb1a1edfb73e9c940896bf1 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.157 CC(=O)Nc1cccc(c1)S c491dfa7e666418d0885014c41e759e8 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.157 CC(=O)Nc1cccc(n1)C 01436216495e07ab1a016d090bd0354d [0,1,0,0,0,0|3,0,0]=4 105 B11R1.157 CC(=O)Nc1cccc(n1)F 5c90ea818058cfdc7008511466203d36 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.157 CC(=O)Nc1cccc(n1)I 5d4e8b430df68bb8d5b9e79c705284bb [0,1,0,0,0,0|3,0,0]=4 107 B11R1.157 CC(=O)Nc1cccc(n1)O 5ecee8ed76a0d083278d7db13fb46dc5 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.157 CC(=O)Nc1ccnc(c1)C 1f0a21b873e7ca6abbe56d850131c0d5 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.157 CC(=O)Nc1ccnc(c1)Cl 60dd71dfffbd4e7a86b9c1318a508470 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.157 CC(=O)Nc1ccnc(c1)F c112cdf062cc40dd6e09308e4863a8bf [0,1,0,0,0,0|3,0,0]=4 111 B11R1.157 CC(=O)Nc1ccnc(c1)O adfd8450de9344956743fa1a05f9a0cc [0,1,0,0,0,0|3,0,0]=4 112 B11R1.157 CC(=O)Nc1cncc(c1)C 4291afcbdd0cbcaf1adc4172123ca697 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.157 CC(=O)Nc1cncc(c1)F 9860c048d1d1e6420ea4a0a66f480b3c [0,1,0,0,0,0|3,0,0]=4 114 B11R1.157 CC(=O)Nc1cncc(c1)I 1accd6dc622c13ee068932fae9e60766 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.157 CC(=O)Nc1cncc(c1)O df72e33984e978f8a94153b22b3fc5c6 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.2 O=C/C=C/COCC(=O)O 284385ade96d614298a0526c494c4c74 [0,0,1,0,0,0|2,0,1]=4 117 B9R1.13 CC(=O)Nc1cccs1 f70dc40a2b7a68d7210198fbab697918 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.13 CC(=O)Nc1ccsc1 b43c291cb5d72b5ddddbae12e8c0d0d9 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.13 O=C(O)CN1CC=CC1 95a23d44a7c175c2727202d3f21e547e [0,0,0,0,1,0|1,0,2]=4 120 B11R1.91 C=C(Br)CNc1ccccc1 93ec6105ca168468e9c8838717ff6b1e [0,0,0,0,0,1|2,0,0]=3 121 B11R1.91 C=C(Br)CNc1ccccn1 34727c54f341f78908ce976a14a84e14 [0,0,0,0,0,1|3,0,0]=4 122 B11R1.91 C=C(Br)CNc1cccnc1 a11cf5f6d9b1fac244d28cac011d2a32 [0,0,0,0,0,1|3,0,0]=4 123 B11R1.91 C=C(Br)CNc1ccncc1 c630c08ca7eab911f8871c49a773a556 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.91 C=C(Br)COc1ccccn1 3d43ccaa4ce2255a33b2e5780563974e [0,0,0,0,0,1|3,0,0]=4 125 B11R1.91 C=C(Br)COc1cccnc1 03ee6b86f68c4d9665848abdc6665e99 [0,0,0,0,0,1|3,0,0]=4 126 B11R1.91 C=C(Br)COc1ccncc1 f68a5cca2c435ca45754132ac3432917 [0,0,0,0,0,1|3,0,0]=4 127 B11R1.91 C=C(C)CNc1ccccc1 9ff030153dc2dcaf07d1da3f9e6a073f [0,0,0,0,0,1|2,0,0]=3 128 B11R1.91 C=C(C)CNc1ccccn1 296f6d3c9e71203263ef4c60889651d0 [0,0,0,0,0,1|3,0,0]=4 129 B11R1.91 C=C(C)CNc1cccnc1 8810dec0d1b93ae6f2f50fc532118fa0 [0,0,0,0,0,1|3,0,0]=4 130 B11R1.91 C=C(C)CNc1ccncc1 7fd564b3611fb48098820a623411bd04 [0,0,0,0,0,1|3,0,0]=4 131 B11R1.91 C=C(C)COc1ccccn1 53d55f6223fd317f454a145f4adf39b2 [0,0,0,0,0,1|3,0,0]=4 132 B11R1.91 C=C(C)COc1cccnc1 3cac933caa917577843fc86e5c520fd6 [0,0,0,0,0,1|3,0,0]=4 133 B11R1.91 C=C(C)COc1ccncc1 5c56bc0d616e9eba4b34abaa7d463cec [0,0,0,0,0,1|3,0,0]=4 134 B11R1.91 C=C(Cl)CNc1ccccc1 e3c53739f614fbc554b5ed591e111126 [0,0,0,0,0,1|2,0,0]=3 135 B11R1.91 C=C(Cl)CNc1ccccn1 8d57e9dfb8949b1985c884615fb6a8b4 [0,0,0,0,0,1|3,0,0]=4 136 B11R1.91 C=C(Cl)CNc1cccnc1 54e242eb426763e91578db67448c885f [0,0,0,0,0,1|3,0,0]=4 137 B11R1.91 C=C(Cl)CNc1ccncc1 92317ebd98de932c9e84fc2ca3dffb66 [0,0,0,0,0,1|3,0,0]=4 138 B11R1.91 C=C(Cl)COc1ccccn1 d5b0ea3883b4108c18193d64e67163e7 [0,0,0,0,0,1|3,0,0]=4 139 B11R1.91 C=C(Cl)COc1cccnc1 8b34485e013408a6d6c7e3498d13562e [0,0,0,0,0,1|3,0,0]=4 140 B11R1.91 C=C(Cl)COc1ccncc1 a6d6fbd6b4ebe7852d39de65090b1504 [0,0,0,0,0,1|3,0,0]=4 141 B11R1.91 C=C(F)CNc1ccccc1 aea10c9376159512fe2427e907c2a329 [0,0,0,0,0,1|2,0,0]=3 142 B11R1.91 C=C(F)CNc1ccccn1 157c3ace5c43f0c3bdc0e522c3645f44 [0,0,0,0,0,1|3,0,0]=4 143 B11R1.91 C=C(F)CNc1cccnc1 ba2b2cb51023d183dfda83785e392235 [0,0,0,0,0,1|3,0,0]=4 144 B11R1.91 C=C(F)CNc1ccncc1 8313ea3d933a1f8b3763daa108cda0e9 [0,0,0,0,0,1|3,0,0]=4 145 B11R1.91 C=C(F)COc1ccccn1 6bd6afe8502615849ff3c9b533c90f28 [0,0,0,0,0,1|3,0,0]=4 146 B11R1.91 C=C(F)COc1cccnc1 4668ab24b3e1fd98adbd999ded211c59 [0,0,0,0,0,1|3,0,0]=4 147 B11R1.91 C=C(F)COc1ccncc1 3693ffc18dbe8c619f282882c33e4be8 [0,0,0,0,0,1|3,0,0]=4 148 B11R1.91 CC(=O)CNc1ccccc1 71a2fb3da6b0e889c13cfd81e73bd182 [0,0,0,0,0,1|1,0,0]=2 149 B11R1.91 CC(=O)CNc1ccccn1 9ef5867d6e28a360f3e560522ae4c545 [0,0,0,0,0,1|2,0,0]=3 150 B11R1.91 CC(=O)CNc1cccnc1 35a6037a85b015cc869f557087769b5d [0,0,0,0,0,1|2,0,0]=3 151 B11R1.91 CC(=O)CNc1cccnn1 bd224fe4d75fd6299636314b2659cf40 [0,0,0,0,0,1|3,0,0]=4 152 B11R1.91 CC(=O)CNc1ccncc1 e7e1df2bfec9194a79bb5918ba94764c [0,0,0,0,0,1|2,0,0]=3 153 B11R1.91 CC(=O)CNc1ccncn1 4f817587489a7d067dc5afdf25fc5852 [0,0,0,0,0,1|3,0,0]=4 154 B11R1.91 CC(=O)CNc1ccnnc1 988e3b33cea73d48c45816137b4a5d30 [0,0,0,0,0,1|3,0,0]=4 155 B11R1.91 CC(=O)CNc1cnccn1 f505fd1e568103e89908ef11d0b9c40c [0,0,0,0,0,1|3,0,0]=4 156 B11R1.91 CC(=O)CNc1ncccn1 f18694e3a51e6ffd47e70f441daa4c05 [0,0,0,0,0,1|3,0,0]=4 157 B11R1.91 CC(=O)NCc1ccccc1 29a87354e4243d3817f046f8152f971d [0,0,0,0,0,1|1,0,0]=2 158 B11R1.91 CC(=O)NCc1ccccn1 4a5e0ad0f6fb64ba7eb4726872bef1d0 [0,0,0,0,0,1|2,0,0]=3 159 B11R1.91 CC(=O)NCc1cccnc1 7b71a51c058bd0c2c3114d8b61c7e1f0 [0,0,0,0,0,1|2,0,0]=3 160 B11R1.91 CC(=O)NCc1cccnn1 8df4f95b0595f5061ab86d0c6899ec2c [0,0,0,0,0,1|3,0,0]=4 161 B11R1.91 CC(=O)NCc1ccncc1 9156811b92bf0707f7382e576ceea554 [0,0,0,0,0,1|2,0,0]=3 162 B11R1.91 CC(=O)NCc1ccncn1 bb4e634dd2d2ac1df6c40895aef3c1f0 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.91 CC(=O)NCc1ccnnc1 b7fb9ef1b30e19b3391ac6373f09e991 [0,0,0,0,0,1|3,0,0]=4 164 B11R1.91 CC(=O)NCc1cnccn1 3bc7c046654e0b52f0e8fd5e1c64219d [0,0,0,0,0,1|3,0,0]=4 165 B11R1.91 CC(=O)NCc1cncnc1 1788fa75b9a7d3ec40c95f826ad49ab5 [0,0,0,0,0,1|3,0,0]=4 166 B11R1.91 CC(=O)NCc1ncccn1 7e583fa87c299d4a4eb199dfcfdc7c5d [0,0,0,0,0,1|3,0,0]=4 167 B11R1.91 CC(C)CNc1ccccc1 408d8a64ab70f9eca096d81d546b6049 [0,0,0,0,0,1|2,0,1]=4 168 B11R1.91 CC(C)NCc1ccccc1 60272e3c9303882f29d21331dcab1491 [0,0,0,0,0,1|2,0,1]=4 169 B11R1.91 CC(C)OCc1ccccc1 7aa508df1117d05227b589ad5630d192 [0,0,0,0,0,1|2,0,1]=4 170 B11R1.91 CC(O)CNc1ccccc1 bad1b8ce4c3d0d43f36328d30e7f1e89 [0,0,0,0,0,1|1,0,1]=3 171 B11R1.91 CC(O)CNc1ccccn1 0b02a9fc805d3fdc80aa58b252d76fac [0,0,0,0,0,1|2,0,1]=4 172 B11R1.91 CC(O)CNc1cccnc1 be948b4ea22210c06fa11f5ff0c44d9b [0,0,0,0,0,1|2,0,1]=4 173 B11R1.91 CC(O)CNc1ccncc1 58a36af31ee3d9178a47f4e2f681d20e [0,0,0,0,0,1|2,0,1]=4 174 B11R1.91 CN(C)CNc1ccccc1 6ea2b21a530eb73fceed274bf1825a42 [0,0,0,0,0,1|3,0,0]=4 175 B11R1.91 C[C@@H](O)CNc1ccccc1 3364bd989574177eabc4c47575206f02 [0,0,0,0,0,1|1,0,1]=3 176 B11R1.91 C[C@@H](O)CNc1ccccn1 2f50c5c35f8b03d00f3a417683f2e1c8 [0,0,0,0,0,1|2,0,1]=4 177 B11R1.91 C[C@@H](O)CNc1cccnc1 0269da8e8da5f2bc75323d1a7b31953c [0,0,0,0,0,1|2,0,1]=4 178 B11R1.91 C[C@@H](O)CNc1ccncc1 a759ad58b644a21887782ccec01db51a [0,0,0,0,0,1|2,0,1]=4 179 B11R1.91 C[C@H](O)CNc1ccccc1 72a253baaf381f6699a10e01b0f0ab34 [0,0,0,0,0,1|1,0,1]=3 180 B11R1.91 C[C@H](O)CNc1ccccn1 b5e1e178b39afd2578578a870577034a [0,0,0,0,0,1|2,0,1]=4 181 B11R1.91 C[C@H](O)CNc1cccnc1 13f963f21a32ff7cb405ad7d76f40567 [0,0,0,0,0,1|2,0,1]=4 182 B11R1.91 C[C@H](O)CNc1ccncc1 40e1cfcf68d3fb31f8ea23f4fe31cf2f [0,0,0,0,0,1|2,0,1]=4 183 B11R1.91 FC(F)CNc1ccccc1 84c83ea792636e350c2a00840c340dda [0,0,0,0,0,1|2,0,1]=4 184 B11R1.91 NC(=O)CNc1ccccc1 cb8f4e233e85228cf5430aee72130ae8 [0,0,0,0,0,1|1,0,0]=2 185 B11R1.91 NC(=O)CNc1ccccn1 034e479579804be1d3ad81d994fdfe8a [0,0,0,0,0,1|2,0,0]=3 186 B11R1.91 NC(=O)CNc1cccnc1 dbb72e205ac173bc25639603ebb9275b [0,0,0,0,0,1|2,0,0]=3 187 B11R1.91 NC(=O)CNc1cccnn1 60d31b38949fd2adfd2e2512960c8165 [0,0,0,0,0,1|3,0,0]=4 188 B11R1.91 NC(=O)CNc1ccncc1 088a2b77d25846775d03ac6d25fcda03 [0,0,0,0,0,1|2,0,0]=3 189 B11R1.91 NC(=O)CNc1ccncn1 e7c35585e28129a25fc0a63199f4168e [0,0,0,0,0,1|3,0,0]=4 190 B11R1.91 NC(=O)CNc1ccnnc1 fd3142ea857a4229c35d861a620f383c [0,0,0,0,0,1|3,0,0]=4 191 B11R1.91 NC(=O)CNc1cnccn1 0a7c4e6a481fd88afb187a9fef9aa25c [0,0,0,0,0,1|3,0,0]=4 192 B11R1.91 NC(=O)CNc1cncnc1 2027aa04b899d228b30b6b8f4597eebe [0,0,0,0,0,1|3,0,0]=4 193 B11R1.91 NC(=O)CNc1ncccn1 fb2c96e608ce23df2dad79eaa200f85a [0,0,0,0,0,1|3,0,0]=4 194 B11R1.91 NC(=O)COc1ccccn1 d34b1e4c40fb1accb7eddd79d84f9d95 [0,0,0,0,0,1|2,0,0]=3 195 B11R1.91 NC(=O)COc1cccnc1 561263082ed3dec2740bd877b6a3be01 [0,0,0,0,0,1|2,0,0]=3 196 B11R1.91 NC(=O)COc1ccncc1 791f490da6d45f1fafaa0833ecefe913 [0,0,0,0,0,1|2,0,0]=3 197 B11R1.91 NC(=O)COc1ccnnc1 41f10587e32d620af6aead81edac5ccf [0,0,0,0,0,1|3,0,0]=4 198 B11R1.91 NC(=O)COc1cnccn1 ede1bfb44e6df9244688248d128ef720 [0,0,0,0,0,1|3,0,0]=4 199 B11R1.91 NC(=O)COc1cncnc1 ffe0016a63c39558be0c122ef0eaecca [0,0,0,0,0,1|3,0,0]=4 200 B11R1.91 NC(=O)COc1ncccn1 e146ec7b3b1f1d100b10c6cf24414d9d [0,0,0,0,0,1|3,0,0]=4 201 B11R1.91 O=C(O)CNc1ccccc1 aa02152e084051d6acb84b2b7ca3be40 [0,0,0,0,0,1|0,0,0]=1 202 B11R1.91 O=C(O)CNc1ccccn1 83bad72d96578f6ee29657bf854abc17 [0,0,0,0,0,1|1,0,0]=2 203 B11R1.91 O=C(O)CNc1cccnc1 4378235c0fca8603764c85f64c571ed0 [0,0,0,0,0,1|1,0,0]=2 204 B11R1.91 O=C(O)CNc1cccnn1 cf291fb62c38c15687fe08b6cd38c97a [0,0,0,0,0,1|2,0,0]=3 205 B11R1.91 O=C(O)CNc1ccncc1 d2ec8efae842007114d587a1ec71d62f [0,0,0,0,0,1|1,0,0]=2 206 B11R1.91 O=C(O)CNc1ccncn1 5a4b1659c5de5be20531a3f783e4b5de [0,0,0,0,0,1|2,0,0]=3 207 B11R1.91 O=C(O)CNc1ccnnc1 c99b746e992a4e9e6f7e039e52c1a5ec [0,0,0,0,0,1|2,0,0]=3 208 B11R1.91 O=C(O)CNc1cnccn1 b1cc8e172b98147bd688e0d825eaa75e [0,0,0,0,0,1|2,0,0]=3 209 B11R1.91 O=C(O)CNc1cncnc1 c77aa544ab79efbf2bcf36fb4eef07df [0,0,0,0,0,1|2,0,0]=3 210 B11R1.91 O=C(O)CNc1cnncn1 656f91866ba89d759783ad01285d9323 [0,0,0,0,0,1|3,0,0]=4 211 B11R1.91 O=C(O)CNc1ncccn1 47fccdac66ef6f51dcf572a9fead2165 [0,0,0,0,0,1|2,0,0]=3 212 B11R1.91 O=C(O)CNc1nccnn1 68de0936d2dfae14cdb757590d441dba [0,0,0,0,0,1|3,0,0]=4 213 B11R1.91 O=C(O)CNc1ncncn1 c8e30a9039355bdb4c7c01c4e4c31d42 [0,0,0,0,0,1|3,0,0]=4 214 B11R1.91 O=C(O)COc1ccccn1 d10c5c7e1100e6f68973343e5e477bed [0,0,0,0,0,1|1,0,0]=2 215 B11R1.91 O=C(O)COc1cccnc1 109e5f2cec28855b082ac5e8dd76ca14 [0,0,0,0,0,1|1,0,0]=2 216 B11R1.91 O=C(O)COc1ccncc1 b0acb3702ddf8b44733ab3e3ff47483a [0,0,0,0,0,1|1,0,0]=2 217 B11R1.91 O=C(O)COc1ccnnc1 1b95f97209e3f2855770ca42cf783b1d [0,0,0,0,0,1|2,0,0]=3 218 B11R1.91 O=C(O)COc1cnccn1 e0294dfac2c18ae32226261f2b002098 [0,0,0,0,0,1|2,0,0]=3 219 B11R1.91 O=C(O)COc1cncnc1 be0d64e31690cc63b2fb9036513a8b31 [0,0,0,0,0,1|2,0,0]=3 220 B11R1.91 O=C(O)COc1cncnn1 f7236ae5d9b791665330b19e8512ec40 [0,0,0,0,0,1|3,0,0]=4 221 B11R1.91 O=C(O)COc1ncccn1 4bfa5c4a896907981ada0a0fb57d9225 [0,0,0,0,0,1|2,0,0]=3 222 B11R1.91 O=[N+]([O-])CNc1ccccc1 ee2373fe0eba3d741763c77ec19667e3 [0,0,0,0,0,1|1,0,1]=3 223 B11R1.91 O=[N+]([O-])CNc1ccccn1 fa3791afd87223e91ea86dad5a58a542 [0,0,0,0,0,1|2,0,1]=4 224 B11R1.91 O=[N+]([O-])CNc1cccnc1 22f8aed454b7c282f646cfba0598b7ad [0,0,0,0,0,1|2,0,1]=4 225 B11R1.91 O=[N+]([O-])CNc1ccncc1 be06b1a00c97a5f4e1a9d0397dca12aa [0,0,0,0,0,1|2,0,1]=4 226 B11R1.91 O=[N+]([O-])COc1ccccn1 49e72bdbc6a0e888db2e191c73149f9f [0,0,0,0,0,1|2,0,1]=4 227 B11R1.91 O=[N+]([O-])COc1cccnc1 57806cc501e01a10b949bb71b7b553b9 [0,0,0,0,0,1|2,0,1]=4 228 B11R1.91 O=[N+]([O-])COc1ccncc1 4c078e4fb77d1c0dd9d51efba42a66b3 [0,0,0,0,0,1|2,0,1]=4 229 B10R0.4 C/C=C/C=C/COCC(=O)O a553b55e60655b04d7e2bf5b9e7b2cb3 [0,1,1,0,0,0|0,0,2]=4 230 B10R0.4 C=C/C=C/CCNCC(=O)O 698c6968904a1d9d4ea2bc98b0edcbc8 [0,1,1,0,0,0|0,0,2]=4 231 B10R0.4 CC=CC=CCOCC(=O)O c52aa3fc2bbbc75c8a204a0b0c340fbd [0,1,1,0,0,0|0,0,2]=4 232 B10R0.78 C=C/C=C/C(=O)NCC(=O)C 45722d49fb4fe60cec53f511febad9e4 [0,1,1,0,0,0|2,0,0]=4 233 B10R0.78 C=C/C=C/C(=O)NCC(=O)N 1a205914e38bad0568cba21533e4be42 [0,1,1,0,0,0|2,0,0]=4 234 B10R0.78 C=C/C=C\C(=O)NCC(=O)C 5f3079d2d39d114e423968c3dfaf84be [0,1,1,0,0,0|2,0,0]=4 235 B10R0.78 C=C/C=C\C(=O)NCC(=O)N 802fa06a1270349cd163d1f0eefa5235 [0,1,1,0,0,0|2,0,0]=4 236 B10R0.78 C=CC=CC(=O)NCC(=O)C 8e74a4d9fae95068a7a627e2d2531c84 [0,1,1,0,0,0|2,0,0]=4 237 B10R0.78 C=CC=CC(=O)NCC(=O)N a6979d9700b7b1feeb15150f85f2c6b7 [0,1,1,0,0,0|2,0,0]=4 238 B10R0.79 C=CCN(CC=C)CC(=O)O 3549356ef5dfc474176d390eca0f6725 [0,1,1,0,0,0|1,0,1]=4 239 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [1,1,0,0,0,0|2,0,0]=4 242 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.1 O=CNc1ccc(cc1)Br d7ce2fc8367b9f0ab0f2e59514baf831 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.1 O=CNc1ccc(cc1)Cl 6958240b257559c57e66b733208a1fd9 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.1 O=CNc1ccc(cc1)F bd58d24daf145acc5a6089d95f60a456 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.1 O=CNc1ccc(cc1)I 477097145ec69bf5f94c911c47fa12c8 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.1 O=CNc1ccc(cc1)S 4a89cce61b79984a4f73e03ba9acee66 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.1 O=CNc1ccc(cn1)Cl d3d35b3132865a697b3ce3a5e150069b [1,1,0,0,0,0|2,0,0]=4 249 B10R1.1 O=CNc1ccc(cn1)F 810dde12c9284662b8355faf968b2a7a [1,1,0,0,0,0|2,0,0]=4 250 B10R1.1 O=CNc1ccc(cn1)I 4eaa73ecd6461fe1e6744e3306f8ab5f [1,1,0,0,0,0|2,0,0]=4 251 B10R1.1 O=CNc1ccc(nc1)Br 7f0fdfd14a461c68caddf7a3c7637111 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.1 O=CNc1ccc(nc1)Cl d34b7188e9c6fc7bd4c519ab891fd1ef [1,1,0,0,0,0|2,0,0]=4 253 B10R1.1 O=CNc1ccc(nc1)F bc035562c1b2f653b687ca5d53853c33 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.1 O=CNc1ccc(nc1)I 7e72d8482a5c98b4a6b518f418650f35 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,1,0,0,0,0|1,0,1]=4 256 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,1,0,0,0,0|1,0,1]=4 259 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.4 Cc1ccccc1NC=O 93463d97863750f67f3c00d910f09802 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.4 Cc1cccnc1NC=O eddc5748a2e62b33a5566ebe9e562102 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.4 Cc1ccncc1NC=O 480a397461cc81757979891789a47566 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.4 Cc1cnccc1NC=O 097b7c8f6102fdb97f5ed9ba0f37156f [1,1,0,0,0,0|2,0,0]=4 264 B10R1.4 Cc1ncccc1NC=O 7a06f216539d990da9cb44ab6e9b0c87 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.4 O=CNc1cccc[n+]1[O-] 965e0abbb142b0680abb5ad3f95c2305 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.4 O=CNc1ccccc1Cl f50c00cfcaa880ebbb89407e81f8f8d5 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.4 O=CNc1ccccc1F f3282ec2c1421e860906e44973b8a687 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.4 O=CNc1ccccc1I 892dff9976fcab110017d24c58532fbf [1,1,0,0,0,0|1,0,0]=3 269 B10R1.4 O=CNc1ccccc1O a5803dbb8fd09b48d1dac5606f2634e9 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.4 O=CNc1ccccc1S adbd377728039742a9715a2c254499e8 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.4 O=CNc1cccnc1Br 067ed8cd00ae2be37ffcd23d4b813102 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.4 O=CNc1cccnc1Cl 65ed286318dffde1ac22a69c8035c069 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.4 O=CNc1cccnc1F 3f6098c3ee28b0b9240bc4385fc649ef [1,1,0,0,0,0|2,0,0]=4 274 B10R1.4 O=CNc1cccnc1I 554eb10301b8ea5a0631a3d0de1821bb [1,1,0,0,0,0|2,0,0]=4 275 B10R1.4 O=CNc1cccnc1O 2b8662d82921d406bd957c952a352054 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.4 O=CNc1ccncc1Cl 734a66ac7d7f2aa4f2065324b96fe67c [1,1,0,0,0,0|2,0,0]=4 277 B10R1.4 O=CNc1ccncc1F 54f9fb25ed013771f5dfd7f4f63bbf45 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.4 O=CNc1ccncc1I d42bc74a08da7c0623dd1f31e79a9861 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.4 O=CNc1cnccc1Br 175a2e259bf91212e04dc2028b743367 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.4 O=CNc1cnccc1F 93504e3990a6d40804e0070c51f15814 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.4 O=CNc1cnccc1I 69e2f5597c7a113298b91de3b2400640 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.4 O=CNc1cnccc1S e87b0427f473ebba57abc19e02e63ca1 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.4 O=CNc1ncccc1Br 2bfca1acb095df8692524bc64723ba9b [1,1,0,0,0,0|2,0,0]=4 284 B10R1.4 O=CNc1ncccc1Cl 8545ddb1e36e607a772e90cc20b597eb [1,1,0,0,0,0|2,0,0]=4 285 B10R1.4 O=CNc1ncccc1F 2d934af61c68c8c71a4c9194d198930c [1,1,0,0,0,0|2,0,0]=4 286 B10R1.4 O=CNc1ncccc1I cae19cd679f2cd830ea4d1d7d347da28 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.4 O=CNc1ncccc1O 1fdc1f2b7f57339d12939de7ab16180b [1,1,0,0,0,0|2,0,0]=4 288 B10R1.4 OCNc1ccccc1I 10ade089d4f881d90e5208c43f98902f [1,1,0,0,0,0|1,0,1]=4 289 B10R1.10 Cc1cc(ccn1)NC=O a1b570429a4635d83924ed4666c430bc [1,1,0,0,0,0|2,0,0]=4 290 B10R1.10 Cc1cccc(c1)NC=O 05038cbe055575047c41b1e8757f2545 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [1,1,0,0,0,0|1,0,1]=4 292 B10R1.10 Cc1cccc(n1)NC=O ed2cb43abfa9e18c06399d497b7d9003 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.10 Cc1ccnc(c1)NC=O eb3abfd32da8586a758691536bf07486 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.10 Cc1cncc(c1)NC=O 95a870ee7a047f48cb87dd1c0e78a9ee [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 O=CNc1cc(ccn1)Cl 6b6c85f18ba607a083fcc35e13622e19 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.10 O=CNc1cc(ccn1)F 22e5ac79b9d0cc27ef6263b1646d5601 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.10 O=CNc1cc(ccn1)O f7c20b6003f2bd2dd1237de57a7e5881 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.10 O=CNc1cccc(c1)Br 5eb9518e9956f7a348d0a646a73a1e32 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.10 O=CNc1cccc(c1)Cl 7fe4ac55882b67bb145106257f99a127 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.10 O=CNc1cccc(c1)F 078b99782fd4caa299ab4bc2089ca8ec [1,1,0,0,0,0|1,0,0]=3 301 B10R1.10 O=CNc1cccc(c1)I 0ca8a7d6d3dcba43e51377ba593dcc41 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.10 O=CNc1cccc(c1)O b7034720bcdfb6e36ba15c0a5abf2a37 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.10 O=CNc1cccc(c1)S 605dde1db165209334662244eb37bfa5 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.10 O=CNc1cccc(n1)Br d0a5a21929b617be7b84c1c911470bf6 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.10 O=CNc1cccc(n1)Cl ac0e9eb68a34eabe5b0113dfee26506e [1,1,0,0,0,0|2,0,0]=4 306 B10R1.10 O=CNc1cccc(n1)F 7f6b4bf345efc87d793d80dd4ecfe368 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.10 O=CNc1cccc(n1)I b8d564702983298e228006f730a723d0 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.10 O=CNc1ccnc(c1)Br 7d8391d7349e0baba7101dcad63499bd [1,1,0,0,0,0|2,0,0]=4 309 B10R1.10 O=CNc1ccnc(c1)Cl d8d3b27a1d645fa8f7ac255717dc5e9d [1,1,0,0,0,0|2,0,0]=4 310 B10R1.10 O=CNc1ccnc(c1)F 6e3376358f7c018fac14dfa72e615522 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.10 O=CNc1ccnc(c1)I 1c4dda9c715dd9fe3b927608e58e2909 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.10 O=CNc1ccnc(c1)O fac658cfc4c685e81e63118107e23109 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.10 O=CNc1cncc(c1)Cl 6d418a989dcc249129d9ecf8231bde00 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.10 O=CNc1cncc(c1)F c1b15bdb8b54842fb529d27afe0a8448 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 O=CNc1cncc(c1)I ffdc4eb6863604810b48b838ef206cc9 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.10 O=CNc1cncc(c1)O 626df693a598a70ed1c051a8db581956 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [1,1,0,0,0,0|1,0,1]=4 318 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [1,1,0,0,0,0|1,0,1]=4 319 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [1,1,0,0,0,0|2,0,0]=4 325 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.17 C=CCNc1ccccn1 a09a0780182f6d8fa8752ca3713a2f3e [1,1,0,0,0,0|2,0,0]=4 329 B10R1.17 C=CCNc1cccnc1 91b240dd75d71a218918690927e5881a [1,1,0,0,0,0|2,0,0]=4 330 B10R1.17 C=CCNc1ccncc1 fc2828cd8f2e538daa95abd157d2f583 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.17 C=CCOc1ccccn1 eb9f74f9d52407e143455993efad096c [1,1,0,0,0,0|2,0,0]=4 332 B10R1.17 C=CCOc1cccnc1 7fb30f1efe498d0d31dd0f3d48945875 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.17 C=CCOc1ccncc1 c45ea9f8d1069d36df9c7358e1f29e58 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,1,0,0,0,0|1,0,1]=4 337 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [1,1,0,0,0,0|2,0,0]=4 339 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [1,1,0,0,0,0|1,0,1]=4 341 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,1,0,0,0,0|1,0,1]=4 342 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [1,1,0,0,0,0|1,0,1]=4 344 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.17 O=CCNc1ccccn1 b00390cf782e1a66064d84fbb4455a3c [1,1,0,0,0,0|1,0,0]=3 347 B10R1.17 O=CCNc1cccnc1 e9d89fc8f59db8f4ca1573408ae38233 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.17 O=CCNc1cccnn1 b77e216bcd16205b619775ccaec2a915 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.17 O=CCNc1ccncc1 b936de0afb8269a2a61f35e281fea4e9 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.17 O=CCNc1ccncn1 ad050d76e28a8f149081a0a787160952 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.17 O=CCNc1ccnnc1 0682a0f697b40c94c475aacd5325761f [1,1,0,0,0,0|2,0,0]=4 352 B10R1.17 O=CCNc1cnccn1 1f2d05c8c2da92e2355104fcbbea848e [1,1,0,0,0,0|2,0,0]=4 353 B10R1.17 O=CCNc1cncnc1 7936eded385f52228b568dc0cba11235 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.17 O=CCNc1ncccn1 6d36478dc88bf2e8e6c88235bd7271f3 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.17 O=CCOc1ccccn1 78f53edacda55ffdc5004f3168d63b47 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.17 O=CCOc1cccnc1 1d2e939a386c96cb8d89a6882c0c8d7c [1,1,0,0,0,0|1,0,0]=3 357 B10R1.17 O=CCOc1ccncc1 1ccec03aa34336841de9232973adaefb [1,1,0,0,0,0|1,0,0]=3 358 B10R1.17 O=CCOc1ccnnc1 57f08acb8fbf4f4c8b7c0a4f26235752 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.17 O=CCOc1cnccn1 ecda20f1b67333503933c739d5d7b88b [1,1,0,0,0,0|2,0,0]=4 360 B10R1.17 O=CCOc1cncnc1 9d2898239ffbc64472b6faadf9b0b97c [1,1,0,0,0,0|2,0,0]=4 361 B10R1.17 O=CCOc1ncccn1 dd95d94e1e128d72aa4c775327aa56bd [1,1,0,0,0,0|2,0,0]=4 362 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [1,1,0,0,0,0|0,0,0]=2 363 B10R1.17 O=CNCc1ccccn1 2a4bd7c465ac0ab8804867d1eeb7fd18 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.17 O=CNCc1cccnc1 86ebf2990a9293a0c4bc35942f9e4571 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.17 O=CNCc1cccnn1 c5e83bdac2e2f539bc82d2501f5689bd [1,1,0,0,0,0|2,0,0]=4 366 B10R1.17 O=CNCc1ccncc1 1f2ebcdeb77286cfab7ddcdf6ac042b2 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.17 O=CNCc1ccncn1 9cc8575563436bdab6bb5758cdf1aa10 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.17 O=CNCc1ccnnc1 4023c62749855f1e846f9fbf9789417e [1,1,0,0,0,0|2,0,0]=4 369 B10R1.17 O=CNCc1cnccn1 2bd46c5e573c56891fa964a095c4e2d7 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.17 O=CNCc1cncnc1 3666ed94d9433e085fe377d1a30954f4 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.17 O=CNCc1ncccn1 7d1c42dda8acac697d69ce2b0a3b68b6 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,1,0,0,0,0|0,0,1]=3 373 B10R1.17 OCCNc1ccccn1 14d1f9671b0391e7cf5b318b74673aa8 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.17 OCCNc1cccnc1 528072d5adbbf320415662e70c05db36 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.17 OCCNc1ccncc1 2d153fc0224e0960cc8e262d108ccf9f [1,1,0,0,0,0|1,0,1]=4 376 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [1,1,0,0,0,0|0,0,1]=3 377 B10R1.17 OCNCc1ccccn1 9488b9a65408dc593594baac432012ff [1,1,0,0,0,0|1,0,1]=4 378 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.17 OCNCc1ccncc1 31d693e5cbaa1006fa13d8924b3493eb [1,1,0,0,0,0|1,0,1]=4 380 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [1,1,0,0,0,0|0,1,1]=4 381 B10R1.27 O=C(CO)Nc1cccs1 c02ae0041af0a4556b6c8dc060e48c79 [0,1,0,0,1,0|2,0,0]=4 382 B10R1.27 O=C(CO)Nc1ccsc1 8b669f4333e0344ec74ab87bffb31285 [0,1,0,0,1,0|2,0,0]=4 383 B12R1.21 C=C(Br)CNc1ccc(cc1)Br e546a0d642c5b0a3ec48dea07e689466 [0,1,0,0,0,1|2,0,0]=4 384 B12R1.21 C=C(Br)CNc1ccc(cc1)C ac7ea7499cdbc554feeedeef7cb9505e [0,1,0,0,0,1|2,0,0]=4 385 B12R1.21 C=C(Br)CNc1ccc(cc1)Cl 2b14155d7d09961444ab9adf29b93421 [0,1,0,0,0,1|2,0,0]=4 386 B12R1.21 C=C(Br)CNc1ccc(cc1)F 0a5dd0a03f858b0a6823fa5b0745f4c6 [0,1,0,0,0,1|2,0,0]=4 387 B12R1.21 C=C(Br)CNc1ccc(cc1)I 5bad35c23c31de19b56aa45917c43399 [0,1,0,0,0,1|2,0,0]=4 388 B12R1.21 C=C(Br)CNc1ccc(cc1)S e23b7ce52a3fcf023864d478b85df05c [0,1,0,0,0,1|2,0,0]=4 389 B12R1.21 C=C(Br)COc1ccc(cc1)Br c7da4f33cd9e1566dd6ad405743b5951 [0,1,0,0,0,1|2,0,0]=4 390 B12R1.21 C=C(Br)COc1ccc(cc1)C 9c193f91e46784b587907cb92891fd6c [0,1,0,0,0,1|2,0,0]=4 391 B12R1.21 C=C(Br)COc1ccc(cc1)Cl 8fc632f573b39fcd83851d298c8853ea [0,1,0,0,0,1|2,0,0]=4 392 B12R1.21 C=C(Br)COc1ccc(cc1)F 65ce2d9329c21cfac6b5d21182db879e [0,1,0,0,0,1|2,0,0]=4 393 B12R1.21 C=C(Br)COc1ccc(cc1)I 8bb276795e9f35b0287c0ea6b8e016dc [0,1,0,0,0,1|2,0,0]=4 394 B12R1.21 C=C(Br)COc1ccc(cc1)S 72486876a337bd7b6f8184f6f80c0e64 [0,1,0,0,0,1|2,0,0]=4 395 B12R1.21 C=C(C)CNc1ccc(cc1)Br 8dc7c710ab065447c48123f5bcedf0d7 [0,1,0,0,0,1|2,0,0]=4 396 B12R1.21 C=C(C)CNc1ccc(cc1)C b9648f75e96e288122c1f1f52f17747f [0,1,0,0,0,1|2,0,0]=4 397 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 220d67265de58d61a8991b9e2785ee2d [0,1,0,0,0,1|2,0,0]=4 398 B12R1.21 C=C(C)CNc1ccc(cc1)F 9baed94ab3d9e5ced3ce874d6c51416e [0,1,0,0,0,1|2,0,0]=4 399 B12R1.21 C=C(C)CNc1ccc(cc1)I 06dfc038b0a9a5ffed5b770675a3f2a7 [0,1,0,0,0,1|2,0,0]=4 400 B12R1.21 C=C(C)CNc1ccc(cc1)S 921d107d183b9a1bdcbc25be7b23a76d [0,1,0,0,0,1|2,0,0]=4 401 B12R1.21 C=C(C)COc1ccc(cc1)Br a11895d937d3f2d9f08464f39279ebc3 [0,1,0,0,0,1|2,0,0]=4 402 B12R1.21 C=C(C)COc1ccc(cc1)C 4b1d2a823038eb68fdc1b48cdf3bab5c [0,1,0,0,0,1|2,0,0]=4 403 B12R1.21 C=C(C)COc1ccc(cc1)Cl ea127c52905a815dded5f13c6ffd1cfb [0,1,0,0,0,1|2,0,0]=4 404 B12R1.21 C=C(C)COc1ccc(cc1)F 676a93816a9a29e23b5ed4b6963c19fe [0,1,0,0,0,1|2,0,0]=4 405 B12R1.21 C=C(C)COc1ccc(cc1)I 5901a75df5ef921835413fe721bc19b6 [0,1,0,0,0,1|2,0,0]=4 406 B12R1.21 C=C(C)COc1ccc(cc1)S e1438e91dbf00b53d040faf3c1a65953 [0,1,0,0,0,1|2,0,0]=4 407 B12R1.21 C=C(Cl)CNc1ccc(cc1)Br 2c9b2d3d5a6f7c29fcfca0a110af88ed [0,1,0,0,0,1|2,0,0]=4 408 B12R1.21 C=C(Cl)CNc1ccc(cc1)C 8092fec00e8a6e91f5356e3a20a982e1 [0,1,0,0,0,1|2,0,0]=4 409 B12R1.21 C=C(Cl)CNc1ccc(cc1)Cl 9e1da2e0ed58d463e9ce6c4bda431adf [0,1,0,0,0,1|2,0,0]=4 410 B12R1.21 C=C(Cl)CNc1ccc(cc1)F 3542466d1b06f61e80fa328e09b2a986 [0,1,0,0,0,1|2,0,0]=4 411 B12R1.21 C=C(Cl)CNc1ccc(cc1)I 8ff0f7815ea76a5b74a9aff7733fd3cf [0,1,0,0,0,1|2,0,0]=4 412 B12R1.21 C=C(Cl)CNc1ccc(cc1)S 3a0fa78631509ed89adefe83a45954f8 [0,1,0,0,0,1|2,0,0]=4 413 B12R1.21 C=C(Cl)COc1ccc(cc1)Br dab719319adad14e703ef2ae3a70404a [0,1,0,0,0,1|2,0,0]=4 414 B12R1.21 C=C(Cl)COc1ccc(cc1)C 9644d5f6f71a2dddb0ba3f41a6860adc [0,1,0,0,0,1|2,0,0]=4 415 B12R1.21 C=C(Cl)COc1ccc(cc1)Cl a85dd9020b57e34063f94089aab4fdbf [0,1,0,0,0,1|2,0,0]=4 416 B12R1.21 C=C(Cl)COc1ccc(cc1)F d3eb45a8a1b918fec717c78e50ffd1e7 [0,1,0,0,0,1|2,0,0]=4 417 B12R1.21 C=C(Cl)COc1ccc(cc1)I 57a932cb4d39b2874f66b230c4c115d2 [0,1,0,0,0,1|2,0,0]=4 418 B12R1.21 C=C(Cl)COc1ccc(cc1)S b963fce55aad509b2e81c4fdecb8fd96 [0,1,0,0,0,1|2,0,0]=4 419 B12R1.21 C=C(F)CNc1ccc(cc1)Br 8d611f12a3f0aa629b96567e3a6294b4 [0,1,0,0,0,1|2,0,0]=4 420 B12R1.21 C=C(F)CNc1ccc(cc1)C 4209ee85c95368c7943bdc78b66e1597 [0,1,0,0,0,1|2,0,0]=4 421 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 5afc287082a5b83ff2ed1380944c2c92 [0,1,0,0,0,1|2,0,0]=4 422 B12R1.21 C=C(F)CNc1ccc(cc1)F 9bf06440df83639aeb1341d61436fad7 [0,1,0,0,0,1|2,0,0]=4 423 B12R1.21 C=C(F)CNc1ccc(cc1)I 14ff0dd37919e0c1c4f2e28f79c6498b [0,1,0,0,0,1|2,0,0]=4 424 B12R1.21 C=C(F)CNc1ccc(cc1)S 6df2530c18b1af9f584a1b763e8b27da [0,1,0,0,0,1|2,0,0]=4 425 B12R1.21 C=C(F)COc1ccc(cc1)Br e7392a21ff395432f40ba89059c95fa9 [0,1,0,0,0,1|2,0,0]=4 426 B12R1.21 C=C(F)COc1ccc(cc1)C e9340c144fab0b65d653c631b38d880e [0,1,0,0,0,1|2,0,0]=4 427 B12R1.21 C=C(F)COc1ccc(cc1)Cl 3498ab3d07c0398e6bfe6c7e25ccb2c2 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.21 C=C(F)COc1ccc(cc1)F bc5959f6f77f79825ed4824035b64b56 [0,1,0,0,0,1|2,0,0]=4 429 B12R1.21 C=C(F)COc1ccc(cc1)I 2c1665d05770735c99e5c6da368c2842 [0,1,0,0,0,1|2,0,0]=4 430 B12R1.21 C=C(F)COc1ccc(cc1)S 2a6ec3d2df00543a45a282d4446eba77 [0,1,0,0,0,1|2,0,0]=4 431 B12R1.21 CC(=O)CNc1ccc(cc1)C c6df41938fb73851720b8d504c48231e [0,1,0,0,0,1|1,0,0]=3 432 B12R1.21 CC(=O)CNc1ccc(cc1)F 9780023b225d3200ffd10d583c37ffdb [0,1,0,0,0,1|1,0,0]=3 433 B12R1.21 CC(=O)CNc1ccc(cc1)S 423de7376f76e98fc0bb1a5337720e0a [0,1,0,0,0,1|1,0,0]=3 434 B12R1.21 CC(=O)CNc1ccc(cn1)C bc36513c065be4bead67c38b364207e3 [0,1,0,0,0,1|2,0,0]=4 435 B12R1.21 CC(=O)CNc1ccc(cn1)F 9e8a5506e8b30241e94f21f5b7f9a99b [0,1,0,0,0,1|2,0,0]=4 436 B12R1.21 CC(=O)CNc1ccc(nc1)C af5cc7de8bed053b888963a847e4955b [0,1,0,0,0,1|2,0,0]=4 437 B12R1.21 CC(=O)CNc1ccc(nc1)F 059d81fedea6ddc0c03a0c00cf186cb6 [0,1,0,0,0,1|2,0,0]=4 438 B12R1.21 CC(=O)NCc1ccc(cc1)Br d2cc47a2d2f5d0454a6ab6aa9be01b2e [0,1,0,0,0,1|1,0,0]=3 439 B12R1.21 CC(=O)NCc1ccc(cc1)C 6d1c8fe2cbf40141f0ff7216820c0ba5 [0,1,0,0,0,1|1,0,0]=3 440 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 932ef7783d78c6800f8298437d4b88f9 [0,1,0,0,0,1|1,0,0]=3 441 B12R1.21 CC(=O)NCc1ccc(cc1)F c15fb7f7daa1d8d13002cf39462c9e3a [0,1,0,0,0,1|1,0,0]=3 442 B12R1.21 CC(=O)NCc1ccc(cc1)I 638cbc421d0f9cd22ecaa35e0d864cbc [0,1,0,0,0,1|1,0,0]=3 443 B12R1.21 CC(=O)NCc1ccc(cc1)O 3eb259396d79ab6b5f53bb6ff52007c0 [0,1,0,0,0,1|1,0,0]=3 444 B12R1.21 CC(=O)NCc1ccc(cn1)Br fb8f8537a7bbf570a19dea4d0aa6d18d [0,1,0,0,0,1|2,0,0]=4 445 B12R1.21 CC(=O)NCc1ccc(cn1)C f38c03df8524acc05ebff836b6a5b5af [0,1,0,0,0,1|2,0,0]=4 446 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 6a011978ddf38308f5a5156573588194 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.21 CC(=O)NCc1ccc(cn1)F d40665011432ddf8f16403b67189332a [0,1,0,0,0,1|2,0,0]=4 448 B12R1.21 CC(=O)NCc1ccc(cn1)O 7406aaf103c654960018dd961b73cac8 [0,1,0,0,0,1|2,0,0]=4 449 B12R1.21 CC(=O)NCc1ccc(nc1)Br e9dbeda635f5ea81b0bda7268917134d [0,1,0,0,0,1|2,0,0]=4 450 B12R1.21 CC(=O)NCc1ccc(nc1)C c7de52d9e18c5b5eeea94a97977c5605 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 9eb33223753c16aea396f97336de070d [0,1,0,0,0,1|2,0,0]=4 452 B12R1.21 CC(=O)NCc1ccc(nc1)F 6b7a55dd10ce9ac95968778b4ef6141e [0,1,0,0,0,1|2,0,0]=4 453 B12R1.21 CC(O)CNc1ccc(cc1)Br 6cc2dd3906a998fe7a5d4e2a8d208d21 [0,1,0,0,0,1|1,0,1]=4 454 B12R1.21 CC(O)CNc1ccc(cc1)Cl 30612ac8d45eff6171f59f16b2492f67 [0,1,0,0,0,1|1,0,1]=4 455 B12R1.21 CC(O)CNc1ccc(cc1)F 44764ce23148993885c02e8cea63902c [0,1,0,0,0,1|1,0,1]=4 456 B12R1.21 CC(O)CNc1ccc(cc1)I 8fb5974b6715edad9e8863320d6bae04 [0,1,0,0,0,1|1,0,1]=4 457 B12R1.21 CC(O)CNc1ccc(cc1)S 6ef936aebb7976c5c92d176540ed67f0 [0,1,0,0,0,1|1,0,1]=4 458 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2ad4df23c69dfa44e26a216951079c17 [0,1,0,0,0,1|1,0,1]=4 459 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F d13032a00d782f9fd58bde9b7b7e5b40 [0,1,0,0,0,1|1,0,1]=4 460 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I fcafc0398c9f6631b1e264180519d9a5 [0,1,0,0,0,1|1,0,1]=4 461 B12R1.21 C[C@@H](O)CNc1ccc(cc1)S c5036038618daf9d110f2837b38cc7f0 [0,1,0,0,0,1|1,0,1]=4 462 B12R1.21 C[C@H](O)CNc1ccc(cc1)Br dfc814dc76baf36262caaec8d25f4215 [0,1,0,0,0,1|1,0,1]=4 463 B12R1.21 C[C@H](O)CNc1ccc(cc1)Cl 8fb7f0b55d9fe9f1cdafd45ef42c2de4 [0,1,0,0,0,1|1,0,1]=4 464 B12R1.21 C[C@H](O)CNc1ccc(cc1)F 4385cb997d0b526c90619c1645b8b1ad [0,1,0,0,0,1|1,0,1]=4 465 B12R1.21 C[C@H](O)CNc1ccc(cc1)I 7222c72737ac92de3960850b939145d2 [0,1,0,0,0,1|1,0,1]=4 466 B12R1.21 C[C@H](O)CNc1ccc(cc1)S 638aabe1512824e4dc38e2389b85f596 [0,1,0,0,0,1|1,0,1]=4 467 B12R1.21 Cc1ccc(cc1)NCC(=O)N 1f37a5662ec11ffdbe6836fff26fabe0 [0,1,0,0,0,1|1,0,0]=3 468 B12R1.21 Cc1ccc(cc1)NCC(=O)O 74e964dee6b2c45f80d52be884637f2a [0,1,0,0,0,1|0,0,0]=2 469 B12R1.21 Cc1ccc(cc1)NCC(C)O 8379462492ffae9a9aea5a1dcd1f96eb [0,1,0,0,0,1|1,0,1]=4 470 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O a5239ddc3731748474623fb5c2811c3d [0,1,0,0,0,1|1,0,1]=4 471 B12R1.21 Cc1ccc(cc1)NC[C@H](C)O 07456d37e9494f0c908a5c4ac8161df3 [0,1,0,0,0,1|1,0,1]=4 472 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] c6c18e8c64651575b63aec010cabaaac [0,1,0,0,0,1|1,0,1]=4 473 B12R1.21 Cc1ccc(cc1)OCC(=O)N b4e2c91dcf7aaab8af6b590dd58d5a8f [0,1,0,0,0,1|1,0,0]=3 474 B12R1.21 Cc1ccc(cc1)OCC(=O)O b391ad11299a568c97edf041fe65000c [0,1,0,0,0,1|0,0,0]=2 475 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 06efd49a697c4badf346fdbc59ea9ba3 [0,1,0,0,0,1|1,0,1]=4 476 B12R1.21 Cc1ccc(cn1)NCC(=O)N 206a7b8eb3c64ced7199f6f25c47dd33 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.21 Cc1ccc(cn1)NCC(=O)O 58bb41a7876380d1226dd9fd2bd2a019 [0,1,0,0,0,1|1,0,0]=3 478 B12R1.21 Cc1ccc(cn1)OCC(=O)N 2385fd1fa2ac2bc7643ee67e3a762663 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.21 Cc1ccc(cn1)OCC(=O)O 12eb6b676eef622f5f2e7d8946a33456 [0,1,0,0,0,1|1,0,0]=3 480 B12R1.21 Cc1ccc(nc1)NCC(=O)N 679286d57b6fad1720c78adcb742e676 [0,1,0,0,0,1|2,0,0]=4 481 B12R1.21 Cc1ccc(nc1)NCC(=O)O 16ad7dfa06fb8a87f559fea40c29a6b3 [0,1,0,0,0,1|1,0,0]=3 482 B12R1.21 Cc1ccc(nc1)OCC(=O)N c091fa9fe565c2a25b68ab230d3dcc66 [0,1,0,0,0,1|2,0,0]=4 483 B12R1.21 Cc1ccc(nc1)OCC(=O)O 401776df19e31ac45d79bb09b4fc2086 [0,1,0,0,0,1|1,0,0]=3 484 B12R1.21 Cc1ccc(nn1)NCC(=O)O ed5948c055aa4d89627b8fe8bbb6c899 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.21 Cc1ccc(nn1)OCC(=O)O 77f333ded0c9b2385d4d61e8c51514b6 [0,1,0,0,0,1|2,0,0]=4 486 B12R1.21 Cc1cnc(cn1)NCC(=O)O 548bd8bbab86cd76fc3c77e5b9cb8e4a [0,1,0,0,0,1|2,0,0]=4 487 B12R1.21 Cc1cnc(cn1)OCC(=O)O 7c90034f20ceaddb242ec7b3de0f5d49 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.21 Cc1cnc(nc1)NCC(=O)O d411ac7971f390cc11c63bad49df2135 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.21 Cc1cnc(nc1)OCC(=O)O 1a3c6acea44ccaeec515c3fcfacaeb7e [0,1,0,0,0,1|2,0,0]=4 490 B12R1.21 Cc1ncc(cn1)NCC(=O)O 4d52d9cc2c205166c00013ee7221ed6d [0,1,0,0,0,1|2,0,0]=4 491 B12R1.21 Cc1ncc(cn1)OCC(=O)O fa93cb0745d728c1a9d5357d46e354ca [0,1,0,0,0,1|2,0,0]=4 492 B12R1.21 NC(=O)CNc1ccc(=O)[nH]c1 9bdd1d42e8d7d50359b82882198620da [0,1,0,0,0,1|2,0,0]=4 493 B12R1.21 NC(=O)CNc1ccc(cc1)Br 641d17fcc9e97442b8d2a64b84c3fd3a [0,1,0,0,0,1|1,0,0]=3 494 B12R1.21 NC(=O)CNc1ccc(cc1)Cl b14233821247556cb03ba5cb7bea87cd [0,1,0,0,0,1|1,0,0]=3 495 B12R1.21 NC(=O)CNc1ccc(cc1)F 1c65ab173611560a41ddaa788ee7884f [0,1,0,0,0,1|1,0,0]=3 496 B12R1.21 NC(=O)CNc1ccc(cc1)I ba88c86be3b8263f20e7d78d60da7c19 [0,1,0,0,0,1|1,0,0]=3 497 B12R1.21 NC(=O)CNc1ccc(cc1)S bca84c320f65c493994a9ce7f5641d8f [0,1,0,0,0,1|1,0,0]=3 498 B12R1.21 NC(=O)CNc1ccc(cn1)Br b037b3d7e8e99e73d2bf00e2c65bcedb [0,1,0,0,0,1|2,0,0]=4 499 B12R1.21 NC(=O)CNc1ccc(cn1)Cl 14fa7d10b0c34915b0e0f3528645c2bb [0,1,0,0,0,1|2,0,0]=4 500 B12R1.21 NC(=O)CNc1ccc(cn1)F 23eec51519ea095d9db0ddc59d1c8900 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.21 NC(=O)CNc1ccc(cn1)I 8b75f35db342061c96eab0f323903c75 [0,1,0,0,0,1|2,0,0]=4 502 B12R1.21 NC(=O)CNc1ccc(nc1)Br b764b0302f32501090806e8a591124a3 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.21 NC(=O)CNc1ccc(nc1)Cl 18566e8aee53502beff29ed77179e088 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.21 NC(=O)CNc1ccc(nc1)F 65c4b7c4b89fe586cb077ff1c9ccc363 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.21 NC(=O)CNc1ccc(nc1)I 8cb6439a6fe90934c5a9eb47307f6b70 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.21 NC(=O)CNc1ccc(nc1)S e65f530b996813ea134e11a280054326 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.21 NC(=O)COc1ccc(cc1)Br 5233c32938bf3208d8553a5431e6ab1d [0,1,0,0,0,1|1,0,0]=3 508 B12R1.21 NC(=O)COc1ccc(cc1)Cl f2788d19d1b3c6a844fb66c37a87f101 [0,1,0,0,0,1|1,0,0]=3 509 B12R1.21 NC(=O)COc1ccc(cc1)F 9f1bf4cb48f50f841f07648bbbc5f22f [0,1,0,0,0,1|1,0,0]=3 510 B12R1.21 NC(=O)COc1ccc(cc1)I 4ae216c9f5b789cc2bd1f97c85e328c9 [0,1,0,0,0,1|1,0,0]=3 511 B12R1.21 NC(=O)COc1ccc(cc1)S a84c625e8f5bdfd8f51c2b9a40310f35 [0,1,0,0,0,1|1,0,0]=3 512 B12R1.21 NC(=O)COc1ccc(cn1)Cl c597f074b88628e7e3e1e7a4dde812c1 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.21 NC(=O)COc1ccc(cn1)F a910adf4f0971d19a395bf1c3f0023f9 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.21 NC(=O)COc1ccc(cn1)I 0ddf77b09f369726cfe2a91afb3bac83 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.21 NC(=O)COc1ccc(nc1)Br 69bdaa6c610efb0038b5fac397882798 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.21 NC(=O)COc1ccc(nc1)Cl 942d3beca1366366f32eb417570e94d1 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.21 NC(=O)COc1ccc(nc1)F 3032871911b79e3c260d075dff976633 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.21 NC(=O)COc1ccc(nc1)I 42d030c1e7490451c85215d0db30023d [0,1,0,0,0,1|2,0,0]=4 519 B12R1.21 O=C(O)CNc1ccc(=O)[nH]c1 d3ed6d07b274e6e1dc177aec27037938 [0,1,0,0,0,1|1,0,0]=3 520 B12R1.21 O=C(O)CNc1ccc(cc1)Br 7da0d863f5bb29f83e0c10f1f7c0547e [0,1,0,0,0,1|0,0,0]=2 521 B12R1.21 O=C(O)CNc1ccc(cc1)Cl ecfcb6d7f6b9c05aeb6ab6499e94dfa4 [0,1,0,0,0,1|0,0,0]=2 522 B12R1.21 O=C(O)CNc1ccc(cc1)F 4e89215ad65c56d949cab153f0ac84e0 [0,1,0,0,0,1|0,0,0]=2 523 B12R1.21 O=C(O)CNc1ccc(cc1)I 2ba461660eb79ccc00a06823117a48dd [0,1,0,0,0,1|0,0,0]=2 524 B12R1.21 O=C(O)CNc1ccc(cc1)S f20c646ff83492b8833296086758cc6a [0,1,0,0,0,1|0,0,0]=2 525 B12R1.21 O=C(O)CNc1ccc(cn1)Br 08413343e0ee097f66c9d63f1e7b599b [0,1,0,0,0,1|1,0,0]=3 526 B12R1.21 O=C(O)CNc1ccc(cn1)Cl c8ff8224e88db321497805314c743b08 [0,1,0,0,0,1|1,0,0]=3 527 B12R1.21 O=C(O)CNc1ccc(cn1)F d2d8f806eb89f79bda747a9b5570be7a [0,1,0,0,0,1|1,0,0]=3 528 B12R1.21 O=C(O)CNc1ccc(cn1)I 037b8a8e37da7d32edfbdaa7874821a9 [0,1,0,0,0,1|1,0,0]=3 529 B12R1.21 O=C(O)CNc1ccc(nc1)Br 2b883a06b5e94a86c2d638a54523f00b [0,1,0,0,0,1|1,0,0]=3 530 B12R1.21 O=C(O)CNc1ccc(nc1)Cl 151411d8ecfbbbbc6790b1b924901629 [0,1,0,0,0,1|1,0,0]=3 531 B12R1.21 O=C(O)CNc1ccc(nc1)F a9157fb003fd0586c8e54b2b35f90be5 [0,1,0,0,0,1|1,0,0]=3 532 B12R1.21 O=C(O)CNc1ccc(nc1)I 4dd66507ff5c64633d53c0986419a8c2 [0,1,0,0,0,1|1,0,0]=3 533 B12R1.21 O=C(O)CNc1ccc(nn1)Br cba86d5c0fa8c2fab2d609d0399e1402 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.21 O=C(O)CNc1ccc(nn1)Cl 377f307d721409055a9e68b2436d0d40 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.21 O=C(O)CNc1ccc(nn1)F 646ab534c3bd26ecd61b9c416d3f2b6c [0,1,0,0,0,1|2,0,0]=4 536 B12R1.21 O=C(O)CNc1ccc(nn1)I b1182d7ec019570af2a55c5468659b78 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.21 O=C(O)CNc1cnc(=O)[nH]c1 f8ab09f32182712eae37d5c621ef1ca1 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.21 O=C(O)CNc1cnc(cn1)Br 9165b4615fee05d67c92bec13517d59e [0,1,0,0,0,1|2,0,0]=4 539 B12R1.21 O=C(O)CNc1cnc(cn1)Cl 24d4464aa3223c0cd8ac31dc891e5d11 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.21 O=C(O)CNc1cnc(cn1)I 106b8539167244bdd752e36a79d38718 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.21 O=C(O)CNc1cnc(nc1)Br 31d7bcfbd9b3fe457f5f180cf100ad74 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.21 O=C(O)CNc1cnc(nc1)Cl d05e5d44d1e9896f31724acf45e17c62 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.21 O=C(O)CNc1cnc(nc1)I 99f4b37d0cd10c3ca7287a51ae42c59c [0,1,0,0,0,1|2,0,0]=4 544 B12R1.21 O=C(O)CNc1ncc(cn1)Br 696a41769586a6809b6a219319fc4c0b [0,1,0,0,0,1|2,0,0]=4 545 B12R1.21 O=C(O)CNc1ncc(cn1)Cl a3e426e4ae64d61a83333815635d0b3c [0,1,0,0,0,1|2,0,0]=4 546 B12R1.21 O=C(O)CNc1ncc(cn1)F 73431d9be4ca89f9990e62ddbd91bace [0,1,0,0,0,1|2,0,0]=4 547 B12R1.21 O=C(O)CNc1ncc(cn1)I cfeed465c696dc169348aee41838232e [0,1,0,0,0,1|2,0,0]=4 548 B12R1.21 O=C(O)COc1ccc(cc1)Br b2e258860e40223ee9da79dbd882e7d5 [0,1,0,0,0,1|0,0,0]=2 549 B12R1.21 O=C(O)COc1ccc(cc1)Cl 28aa8b483311aaf8605303390d0ded6a [0,1,0,0,0,1|0,0,0]=2 550 B12R1.21 O=C(O)COc1ccc(cc1)F a0f040c73294c1633c8e3593094e773e [0,1,0,0,0,1|0,0,0]=2 551 B12R1.21 O=C(O)COc1ccc(cc1)I d32cb6deb654e7f5efc087ff2ed69aa0 [0,1,0,0,0,1|0,0,0]=2 552 B12R1.21 O=C(O)COc1ccc(cc1)S 8835852d462b385559e65d146a31e233 [0,1,0,0,0,1|0,0,0]=2 553 B12R1.21 O=C(O)COc1ccc(cn1)Cl cf48e1e9b9aa13bd427b6e000a32fc1f [0,1,0,0,0,1|1,0,0]=3 554 B12R1.21 O=C(O)COc1ccc(cn1)F 3f470fa1fe9c5b090bde32fe8f6fbffb [0,1,0,0,0,1|1,0,0]=3 555 B12R1.21 O=C(O)COc1ccc(cn1)I ce7b34f91f6236f7c717d746c5fcfe8f [0,1,0,0,0,1|1,0,0]=3 556 B12R1.21 O=C(O)COc1ccc(nc1)Br 5a6a376d5c4d9f5b31a3150f18474250 [0,1,0,0,0,1|1,0,0]=3 557 B12R1.21 O=C(O)COc1ccc(nc1)Cl 0816d2e7bdacde195549f4db419c0bb2 [0,1,0,0,0,1|1,0,0]=3 558 B12R1.21 O=C(O)COc1ccc(nc1)F b6831ae789dcb9f8c168d4f4437daea6 [0,1,0,0,0,1|1,0,0]=3 559 B12R1.21 O=C(O)COc1ccc(nc1)I 6d747b6a5c83b7fb5e7ef1d36e36551d [0,1,0,0,0,1|1,0,0]=3 560 B12R1.21 O=C(O)COc1ccc(nn1)Br 8ccd0d135998a4c7863f83cec6b0ec88 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.21 O=C(O)COc1ccc(nn1)Cl e843bc62111618fcc467638de75f59a4 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.21 O=C(O)COc1cnc(cn1)Br 12dcfeb2ab11c2b1bc87d15ce3f1030a [0,1,0,0,0,1|2,0,0]=4 563 B12R1.21 O=C(O)COc1cnc(cn1)Cl 96bf2dfebac74593bbb0391d4a043168 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.21 O=C(O)COc1cnc(cn1)I 46c48659249505bccd7aa180fde0332c [0,1,0,0,0,1|2,0,0]=4 565 B12R1.21 O=C(O)COc1cnc(nc1)Br 55b2e2879cbfd4c5c8343bea251482e2 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.21 O=C(O)COc1cnc(nc1)Cl 72a74ad6eb198f72e322ca0e5161bf96 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.21 O=C(O)COc1ncc(cn1)Br 922b55fc3f3ec6e9d997c8e72558bb6f [0,1,0,0,0,1|2,0,0]=4 568 B12R1.21 O=C(O)COc1ncc(cn1)F 5072a4f812367deabdb4ea962a58718f [0,1,0,0,0,1|2,0,0]=4 569 B12R1.21 O=C(O)COc1ncc(cn1)I 33f941186ff10711eb48798db969d8be [0,1,0,0,0,1|2,0,0]=4 570 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Br 326b2d51248840022fb7ed0f456bc380 [0,1,0,0,0,1|1,0,1]=4 571 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 3d5d17e6b5cf8c6570a34b9e8bafede5 [0,1,0,0,0,1|1,0,1]=4 572 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)F 5067c6cde31e28f81240180e2b841d23 [0,1,0,0,0,1|1,0,1]=4 573 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 21e92d9c8e16bc99c687b54e9bb49d3c [0,1,0,0,0,1|1,0,1]=4 574 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)S 05d290fa61f594bfd2fd269307434705 [0,1,0,0,0,1|1,0,1]=4 575 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 5f3fceed698fc9785be98d2484379c30 [0,1,0,0,0,1|1,0,1]=4 576 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 06e81d3e38bc8b23b9968fcc3e913670 [0,1,0,0,0,1|1,0,1]=4 577 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 0434e5c35130cdd29a8cff76416ae09b [0,1,0,0,0,1|1,0,1]=4 578 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 1ff00269d91856f8bf481eb71e657c4a [0,1,0,0,0,1|1,0,1]=4 579 B12R1.21 O=[N+]([O-])COc1ccc(cc1)S 539400d73d59c34ee1f850d23ca47314 [0,1,0,0,0,1|1,0,1]=4 580 B12R1.27 C#CC(=O)NCc1ccccc1 7af84dc5a7d2034c8d0a1778bc429d59 [0,1,0,0,0,1|1,0,0]=3 581 B12R1.27 C#CC(=O)NCc1ccccn1 41d3667f2625c7e1a0f72b44f60e323c [0,1,0,0,0,1|2,0,0]=4 582 B12R1.27 C#CC(=O)NCc1cccnc1 4a28b9dfdd7591a6918c14a1afb562d7 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.27 C#CC(=O)NCc1ccncc1 7734e53a717c5de34cd241985b8cfd84 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.27 C=C(C#N)CNc1ccccc1 875e796ed2331cbf6722fd9951dfc9a2 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.27 C=C(C=O)OCc1ccccc1 d9facb3ea82832fcb2b7bb0a7ba08bec [0,1,0,0,0,1|1,0,0]=3 586 B12R1.27 C=C(C=O)OCc1ccccn1 26ce444ea85afa28659019f80e2537e4 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.27 C=C(C=O)OCc1cccnc1 16086c3b58bc49f9cd702f42afd70701 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.27 C=C(CC)CNc1ccccc1 109c052abdb53f9ddab28ed347d98fd8 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.27 C=C(CNc1ccccc1)OC bb949f54d2f54d3e6e888faf57686f4e [0,1,0,0,0,1|1,0,0]=3 590 B12R1.27 C=C(CNc1ccccn1)OC 3de7e001df09be3a86b7985205b8d232 [0,1,0,0,0,1|2,0,0]=4 591 B12R1.27 C=C(CNc1cccnc1)OC 16f5c6a181503e92db9c7517f408c15a [0,1,0,0,0,1|2,0,0]=4 592 B12R1.27 C=C(CNc1ccncc1)OC 749bc4377b5a09f0ab82893ce238a124 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.27 C=C(CO)CNc1ccccc1 6dd075951d15cc232b8e7770860ee4cb [0,1,0,0,0,1|1,0,0]=3 594 B12R1.27 C=C(CO)CNc1ccccn1 6105decc4fd535ea60914c586543371b [0,1,0,0,0,1|2,0,0]=4 595 B12R1.27 C=C(CO)CNc1cccnc1 0fd79a449234686b43f3fbd5309569ce [0,1,0,0,0,1|2,0,0]=4 596 B12R1.27 C=C(CO)CNc1ccncc1 b7e5e82015293df9d0487abccba2389f [0,1,0,0,0,1|2,0,0]=4 597 B12R1.27 C=C(COc1ccccn1)OC a43bd483ae573d6cfa4f8d7b75d98ff8 [0,1,0,0,0,1|2,0,0]=4 598 B12R1.27 C=C(COc1cccnc1)OC 3ff9797a1ba9a3ae1d012481d7824603 [0,1,0,0,0,1|2,0,0]=4 599 B12R1.27 C=C(COc1ccncc1)OC 339d1dd8bae57e1176953c4d9117eedb [0,1,0,0,0,1|2,0,0]=4 600 B12R1.27 C=CC(=O)NCc1ccccc1 35494ddcd383d6504b7e0ac93d2e54a2 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.27 C=CC(=O)NCc1ccccn1 281298880155f7c8059dd85e2e99920f [0,1,0,0,0,1|2,0,0]=4 602 B12R1.27 C=CC(=O)NCc1cccnc1 e09e1cb5d49683d779e138de2dd45d53 [0,1,0,0,0,1|2,0,0]=4 603 B12R1.27 C=CC(=O)NCc1ccncc1 085e847310f695baa790e2184662469d [0,1,0,0,0,1|2,0,0]=4 604 B12R1.27 C=CC(O)CNc1ccccc1 e6108fb7cfe75301d4d656a5d5d31162 [0,1,0,0,0,1|1,0,1]=4 605 B12R1.27 CC(C=O)NCc1ccccc1 52acbe8f861a146c2fae15c546c154ce [0,1,0,0,0,1|1,0,1]=4 606 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [0,1,0,0,0,1|1,0,1]=4 607 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [0,1,0,0,0,1|1,0,1]=4 608 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [0,1,0,0,0,1|1,0,1]=4 609 B12R1.27 CCC(=O)CNc1ccccc1 8a00a9b87cff2992f22bb204b9e2670f [0,1,0,0,0,1|1,0,0]=3 610 B12R1.27 CCC(=O)CNc1ccccn1 2d342bf045411702eec8a271afb524c7 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.27 CCC(=O)CNc1cccnc1 1504cf6a29e5927e00fbb7fbe9fae424 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.27 CCC(=O)CNc1ccncc1 bb08ae1abbdea9bdec7ae829443f455d [0,1,0,0,0,1|2,0,0]=4 613 B12R1.27 CCC(=O)COc1ccccn1 3a724b1bda77ee3c2eba66bde7c3ebc1 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.27 CCC(=O)COc1cccnc1 b80719a3406cee7589ce2d1a152f5933 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.27 CCC(=O)COc1ccncc1 00ef9df8c2954a5dbdd027032485abe5 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.27 CCC(=O)NCc1ccccc1 cd109163e80059e2763660343f9dbe36 [0,1,0,0,0,1|1,0,0]=3 617 B12R1.27 CCC(=O)NCc1ccccn1 8feeaaa17ff0b8e92392e088c3f6feb2 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.27 CCC(=O)NCc1cccnc1 163349dbb40d7f18c251a823056c2629 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.27 CCC(=O)NCc1ccncc1 144e26626888e38f930efdfdcacd3026 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.27 CCC(O)CNc1ccccc1 3a32ac0a6b49d877750df15cf382268b [0,1,0,0,0,1|1,0,1]=4 621 B12R1.27 CC[C@@H](O)CNc1ccccc1 765034dc37ea09fed7d7c3321191febe [0,1,0,0,0,1|1,0,1]=4 622 B12R1.27 CN(C=O)CCc1ccccc1 9fb02e1cb373d4704048d9ef6c04ee21 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.27 CN(CO)CCc1ccccc1 c9a67cdf713e4c874ec2d63ed5e8590a [0,1,0,0,0,1|2,0,0]=4 624 B12R1.27 CNC(=O)CNc1ccccc1 9c8781c492a9bef282f2e4766dfd7321 [0,1,0,0,0,1|1,0,0]=3 625 B12R1.27 CNC(=O)CNc1ccccn1 fc4762116a27bb8b6ea53a6e66542d19 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.27 CNC(=O)CNc1cccnc1 e74073d8f4796974c660596e377c33cf [0,1,0,0,0,1|2,0,0]=4 627 B12R1.27 CNC(=O)CNc1ccncc1 cb6bf41ad771ff76a746a99e372cd865 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.27 CNC(=O)COc1ccccn1 bd4756c0f0116ab38b1a4beac8202f0e [0,1,0,0,0,1|2,0,0]=4 629 B12R1.27 CNC(=O)COc1cccnc1 609ec57943b9a9b0a728c8221c1b3313 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.27 CNC(=O)COc1ccncc1 fdffb7e35ed97f6ad7614209cd65357a [0,1,0,0,0,1|2,0,0]=4 631 B12R1.27 COC(=O)CNc1ccccc1 4732dba1106eb1ebf4644524cb0d5858 [0,1,0,0,0,1|0,0,0]=2 632 B12R1.27 COC(=O)CNc1ccccn1 422ec05b49687667e2eb26080da1b005 [0,1,0,0,0,1|1,0,0]=3 633 B12R1.27 COC(=O)CNc1cccnc1 bb8fa453cbe767f1bfa38300e2133b6f [0,1,0,0,0,1|1,0,0]=3 634 B12R1.27 COC(=O)CNc1cccnn1 e3fe85fcb804bff6501492672485587b [0,1,0,0,0,1|2,0,0]=4 635 B12R1.27 COC(=O)CNc1ccncc1 4b6a9e8b399f3b2656c00a1a6d53d873 [0,1,0,0,0,1|1,0,0]=3 636 B12R1.27 COC(=O)CNc1ccncn1 89567220a9f576dcce12a714da6edcc9 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.27 COC(=O)CNc1ccnnc1 2e2b30630be5941787e8d1a0e316f637 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.27 COC(=O)CNc1cnccn1 9ab7e38034cacb42b2d0dc4b8d5f1b98 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.27 COC(=O)CNc1cncnc1 c8a72bd510c192fa59fdd14c77a83f17 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.27 COC(=O)CNc1ncccn1 50d45dc8d5d58c39241baacf707effe8 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.27 COC(=O)COc1ccccn1 b9320fa8fadd3b157619c972c855ab22 [0,1,0,0,0,1|1,0,0]=3 642 B12R1.27 COC(=O)COc1cccnc1 4796298b812d84cf06b77d8bd60f9b41 [0,1,0,0,0,1|1,0,0]=3 643 B12R1.27 COC(=O)COc1ccncc1 0e6c838d44328ff91eb92d7c7be39fd1 [0,1,0,0,0,1|1,0,0]=3 644 B12R1.27 COC(=O)COc1ccnnc1 d33d2e48754a2c3a06e1d66d7e549a61 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.27 COC(=O)COc1cnccn1 6e2ee09d9c1f5e1139c45fa3c46e2667 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.27 COC(=O)COc1cncnc1 8b3f6c1dba40f762a9affd4fbc4f68ef [0,1,0,0,0,1|2,0,0]=4 647 B12R1.27 COC(=O)COc1ncccn1 aa6c463fc7911bd52e13761cf26287a2 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [0,1,0,0,0,1|1,0,1]=4 649 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [0,1,0,0,0,1|1,0,1]=4 650 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [0,1,0,0,0,1|1,0,1]=4 651 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [0,1,0,0,0,1|1,0,1]=4 652 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [0,1,0,0,0,1|1,0,1]=4 653 B12R1.27 C[C@H](C=O)NCc1ccccc1 645b627cd889138b5240bcb1ce686b72 [0,1,0,0,0,1|1,0,1]=4 654 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [0,1,0,0,0,1|1,0,1]=4 655 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [0,1,0,0,0,1|1,0,1]=4 656 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [0,1,0,0,0,1|1,0,1]=4 657 B12R1.27 Cl/C=C(\Cl)/CNc1ccccc1 c331f0444ba4fa01061032a87aaeed79 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.27 O=C(CF)NCc1ccccc1 44d0634b73cc2a3134198abb702adc32 [0,1,0,0,0,1|1,0,0]=3 659 B12R1.27 O=C(CF)NCc1ccccn1 4c7b5fbb214e22648f8c87757a037fe0 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.27 O=C(CF)NCc1cccnc1 55aee9f781bad42df720fff04950da75 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.27 O=C(CF)NCc1ccncc1 3f91363ab12717dc7294b05ffdae271f [0,1,0,0,0,1|2,0,0]=4 662 B12R1.27 O=C(CNc1ccccc1)NO b700dc391e059a1fe9e2fea74fdf720f [0,1,0,0,0,1|0,0,0]=2 663 B12R1.27 O=C(CNc1ccccn1)NO be9d42adb21d4a69832949b9fc000cc0 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.27 O=C(CNc1cccnc1)NO 8a27a50468684c1595a33212cebac4a8 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.27 O=C(CNc1cccnn1)NO d37081ae7dc3e449b235910e37d9a4b7 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.27 O=C(CNc1ccncc1)NO e534a6d29b9c11617e3a2a773fd0b2e3 [0,1,0,0,0,1|1,0,0]=3 667 B12R1.27 O=C(CNc1ccncn1)NO 935af343186b17be6f3926b684059629 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.27 O=C(CNc1ccnnc1)NO 8731a2af22f8e81dd7ff9e6b6aa9753b [0,1,0,0,0,1|2,0,0]=4 669 B12R1.27 O=C(CNc1cnccn1)NO 9a20d6ac0d6e0931efec8b9b868af50f [0,1,0,0,0,1|2,0,0]=4 670 B12R1.27 O=C(CNc1ncccn1)NO 22695183ecf84c06618670c0646222aa [0,1,0,0,0,1|2,0,0]=4 671 B12R1.27 O=C(CO)CNc1ccccc1 1cf374c57dfb525ce3f48cecf3edf550 [0,1,0,0,0,1|0,0,0]=2 672 B12R1.27 O=C(CO)CNc1ccccn1 0c5a750a3ead3f0642560291fe4bd338 [0,1,0,0,0,1|1,0,0]=3 673 B12R1.27 O=C(CO)CNc1cccnc1 2c6f296e217cf230fda521b9de841c22 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.27 O=C(CO)CNc1cccnn1 2512bc1226dbc4ae0ff66295da73ed4c [0,1,0,0,0,1|2,0,0]=4 675 B12R1.27 O=C(CO)CNc1ccncc1 a9956d0800a44e92c213c4374d265d3b [0,1,0,0,0,1|1,0,0]=3 676 B12R1.27 O=C(CO)CNc1ccncn1 cd1dd3982262b82f7191b0a9f51686db [0,1,0,0,0,1|2,0,0]=4 677 B12R1.27 O=C(CO)CNc1ccnnc1 79e3e11bd0dd7b0586d5bf7910800446 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.27 O=C(CO)CNc1cnccn1 ddbafa99792e97282c0c579f0b16284c [0,1,0,0,0,1|2,0,0]=4 679 B12R1.27 O=C(CO)CNc1cncnc1 0b92bd0ddd8cb5390017254711a8ae64 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.27 O=C(CO)CNc1ncccn1 fb2e6117f7df8f34c4bbf6b23bc0657a [0,1,0,0,0,1|2,0,0]=4 681 B12R1.27 O=C(CO)NCc1ccccc1 f4f787a5214848c6970058ebdb73c876 [0,1,0,0,0,1|0,0,0]=2 682 B12R1.27 O=C(CO)NCc1ccccn1 76eb78e75930ec6892869074780cca40 [0,1,0,0,0,1|1,0,0]=3 683 B12R1.27 O=C(CO)NCc1cccnc1 accc53643db8ccf06656b79e4c302034 [0,1,0,0,0,1|1,0,0]=3 684 B12R1.27 O=C(CO)NCc1cccnn1 c7af8776b37791b5de368b369197b739 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.27 O=C(CO)NCc1ccncc1 e6e3500e223e964fc174f8ea1c4cb0cf [0,1,0,0,0,1|1,0,0]=3 686 B12R1.27 O=C(CO)NCc1ccncn1 05dd953bad7485a3c413d234f7d9ba89 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.27 O=C(CO)NCc1ccnnc1 db14bf824509424aed97b7fc74886969 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.27 O=C(CO)NCc1cnccn1 1f35d793bce8f5fd30db171aa631f8f9 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.27 O=C(CO)NCc1cncnc1 97c7fd60f7890452e7a6f80b4ce3ada7 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.27 O=C(CO)NCc1ncccn1 4206f48fceeee3fa8734c80623676221 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.27 O=C(CS)NCc1ccccc1 f91da9c658c39a4f0c257ce61b60a1a7 [0,1,0,0,0,1|0,1,0]=3 692 B12R1.27 O=C(CS)NCc1ccccn1 ae765a2702e1ea1d8d048ef10891fe36 [0,1,0,0,0,1|1,1,0]=4 693 B12R1.27 O=C(CS)NCc1cccnc1 5a5dc7c7f2b3649e173a6d2509493bc1 [0,1,0,0,0,1|1,1,0]=4 694 B12R1.27 O=C(CS)NCc1ccncc1 3c01785cc067c5560ab97b77c8bba642 [0,1,0,0,0,1|1,1,0]=4 695 B12R1.27 O=CC(=O)NCc1ccccc1 970d8ad05ab6cb0901c43fa67531a907 [0,1,0,0,0,1|0,0,1]=3 696 B12R1.27 O=CC(=O)NCc1ccccn1 5415f3460df3d597dd7a81850a2bc580 [0,1,0,0,0,1|1,0,1]=4 697 B12R1.27 O=CC(=O)NCc1cccnc1 255e4a66d59bc42b0ce46d18d7582057 [0,1,0,0,0,1|1,0,1]=4 698 B12R1.27 O=CC(=O)NCc1ccncc1 afc3631f52afd36efc841db8b4fc7d06 [0,1,0,0,0,1|1,0,1]=4 699 B12R1.27 OC(CF)CNc1ccccc1 e518893c8dbaaac7e0289d266d42fc20 [0,1,0,0,0,1|1,0,1]=4 700 B12R1.27 OCC(F)CNc1ccccc1 12f6637854cd5607d7beeb33d98c9d66 [0,1,0,0,0,1|1,0,1]=4 701 B12R1.27 OCC(O)CNc1ccccc1 2c98ea52c81c0230088b12196d6eb24a [0,1,0,0,0,1|0,0,2]=4 702 B12R1.27 OC[C@@H](F)CNc1ccccc1 df0a72159854bbc7d14ee531e659ec9c [0,1,0,0,0,1|1,0,1]=4 703 B12R1.27 OC[C@@H](O)CNc1ccccc1 d5ed593b781b051c17ac5c0f665c9b28 [0,1,0,0,0,1|0,0,2]=4 704 B12R1.27 OC[C@H](F)CNc1ccccc1 9734eac13b001b84d3ee28ab012b0276 [0,1,0,0,0,1|1,0,1]=4 705 B12R1.27 OC[C@H](O)CNc1ccccc1 4df6835ea35fcadc1546d95d2a23469d [0,1,0,0,0,1|0,0,2]=4 706 B12R1.43 CC(=O)C(C)Nc1ccccc1 a5a89e613210df479342158a0b1bf72b [0,1,0,0,0,1|1,0,0]=3 707 B12R1.43 CC(=O)C(C)Nc1ccccn1 6d5887e0d8b1250c5c284bdd7ecb6e6c [0,1,0,0,0,1|2,0,0]=4 708 B12R1.43 CC(=O)C(C)Nc1cccnc1 3d27b1337cf87a2e303ecaa21680f482 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.43 CC(=O)C(C)Nc1ccncc1 be55510d0cc72d21a82c879e7b584120 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.43 CC(=O)C(C)Oc1ccccn1 956a9943d8f79641215d0b6217f9d9e7 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.43 CC(=O)C(C)Oc1cccnc1 d1f1a212071c4449516b5cfa8f21cb1c [0,1,0,0,0,1|2,0,0]=4 712 B12R1.43 CC(=O)C(C)Oc1ccncc1 9490a3a06d6ba87d8be5f3e0c53d3762 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.43 CC(=O)N(C)Cc1ccccc1 b985bf2c7484ae6a34647301b4683566 [0,1,0,0,0,1|1,0,0]=3 714 B12R1.43 CC(=O)N(C)Cc1ccccn1 c450d3ea04b8e825f53753140b07d344 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.43 CC(=O)N(C)Cc1cccnc1 68d654439a46d431d82ead819a36e573 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.43 CC(=O)N(C)Cc1ccncc1 e53a41aba747eca10244f4b7246f4b7f [0,1,0,0,0,1|2,0,0]=4 717 B12R1.43 CC(Nc1ccccc1)C(=O)N a13620d692f52ceee273ee15e9b75ad1 [0,1,0,0,0,1|1,0,0]=3 718 B12R1.43 CC(Nc1ccccn1)C(=O)N f83bf2ff7dcfd3b110f9f3b0a97115db [0,1,0,0,0,1|2,0,0]=4 719 B12R1.43 CC(Nc1cccnc1)C(=O)N d63e56dbb828c942fcfc8fb45d074de3 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.43 CC(Nc1cccnc1)C(=O)O 659dd80270551d27c639c95faafb6472 [0,1,0,0,0,1|1,0,0]=3 721 B12R1.43 CC(Nc1ccncc1)C(=O)N ba90507220ccfe6fc756bda09ed3e108 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.43 CC(Nc1ccncc1)C(=O)O 3264441d04234b09594e21abb0ee6864 [0,1,0,0,0,1|1,0,0]=3 723 B12R1.43 CC(Nc1ccnnc1)C(=O)O 519490bc7d53392f720f75f678bb1d8c [0,1,0,0,0,1|2,0,0]=4 724 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [0,1,0,0,0,1|1,0,1]=4 725 B12R1.43 CC(Oc1ccccn1)C(=O)N 1624b15c09b35f1a52e54d4f07893733 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.43 CC(Oc1cccnc1)C(=O)N c93ec9cffe861f7d5419e273b281c733 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)N a6160bd3305aa260e6d958f111f59293 [0,1,0,0,0,1|1,0,0]=3 728 B12R1.43 C[C@@H](Nc1cccnc1)C(=O)N a37c586a2b9dbf1de69a084cd0cef09c [0,1,0,0,0,1|2,0,0]=4 729 B12R1.43 C[C@@H](Nc1cccnc1)C(=O)O f725611cd196ecb4e3173ce596f108d5 [0,1,0,0,0,1|1,0,0]=3 730 B12R1.43 C[C@@H](Nc1ccncc1)C(=O)N 1f374cd009e907959e7de09765803968 [0,1,0,0,0,1|2,0,0]=4 731 B12R1.43 C[C@@H](Nc1ccncc1)C(=O)O 764f440060b5ff5cba00cbd341e47e3c [0,1,0,0,0,1|1,0,0]=3 732 B12R1.43 C[C@@H](Nc1ccnnc1)C(=O)O 48245fd1ff64f6b59160539a78f36411 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.43 C[C@H](Nc1ccccc1)C(=O)N 52675762c748ff349487a045ecd2d147 [0,1,0,0,0,1|1,0,0]=3 734 B12R1.43 C[C@H](Nc1cccnc1)C(=O)N cffa85eeee0554dd18a262517da3feb0 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.43 C[C@H](Nc1cccnc1)C(=O)O dd8df90e032283b8c6411ff1e3f5a98a [0,1,0,0,0,1|1,0,0]=3 736 B12R1.43 C[C@H](Nc1ccncc1)C(=O)N ad266badea115df3b4f5bccb0d59b70d [0,1,0,0,0,1|2,0,0]=4 737 B12R1.43 C[C@H](Nc1ccncc1)C(=O)O 6e2a1f431f6b654b8228879fdc066074 [0,1,0,0,0,1|1,0,0]=3 738 B12R1.43 C[C@H](Nc1ccnnc1)C(=O)O ca7b3e0e8814e6f3a93ce6499b38a640 [0,1,0,0,0,1|2,0,0]=4 739 B12R1.43 NC(=O)C(F)Nc1ccccc1 299f6d190577b4cf14ee619179561a19 [0,1,0,0,0,1|1,0,0]=3 740 B12R1.43 NC(=O)C(F)Nc1ccccn1 ca8b6aae9687127a36e91b131df1e857 [0,1,0,0,0,1|2,0,0]=4 741 B12R1.43 NC(=O)C(F)Nc1cccnc1 4ee34b9f1deebdf61d7c6f030a6fa1d2 [0,1,0,0,0,1|2,0,0]=4 742 B12R1.43 NC(=O)C(F)Nc1ccncc1 73eaf17db5fb10a743046b642b6f8c1a [0,1,0,0,0,1|2,0,0]=4 743 B12R1.43 NC(=O)C(F)Oc1ccccn1 3b14353cad68e4c4b8152b09ae9a6bb1 [0,1,0,0,0,1|2,0,0]=4 744 B12R1.43 NC(=O)C(F)Oc1cccnc1 357fafca4d938eeeb5cdef07ce6e7d3c [0,1,0,0,0,1|2,0,0]=4 745 B12R1.43 NC(=O)C(F)Oc1ccncc1 93a645f8833b59068068eba402f7e9b2 [0,1,0,0,0,1|2,0,0]=4 746 B12R1.43 O=C(O)C(F)Nc1ccccc1 c5ce312e32f06c5c8ff8fb1426824373 [0,1,0,0,0,1|0,0,0]=2 747 B12R1.43 O=C(O)C(F)Nc1cccnc1 455dc6c2ef68afd5d880209c8fe5a542 [0,1,0,0,0,1|1,0,0]=3 748 B12R1.43 O=C(O)C(F)Nc1cccnn1 f394dd5a551efd4bee96370e6fbde208 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.43 O=C(O)C(F)Nc1ccncc1 cc45994f4e20e8fce4641239ea111ab9 [0,1,0,0,0,1|1,0,0]=3 750 B12R1.43 O=C(O)C(F)Nc1ccnnc1 ea51a58482e5810aeda051a1a3f25012 [0,1,0,0,0,1|2,0,0]=4 751 B12R1.43 O=C(O)C(F)Nc1ncccn1 1574e0139f1084470670410b30481458 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.43 O=C(O)C(F)Oc1ccnnc1 82bd72193cfc2a6b1e09b26b37ac2603 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.43 O=C(O)[C@H](F)Nc1ccccc1 a79b4fb1f0a48c194a6531a29520d20f [0,1,0,0,0,1|0,0,0]=2 754 B12R1.43 O=C(O)[C@H](F)Nc1cccnc1 c741dd412e598c70d825973c9bcdacf7 [0,1,0,0,0,1|1,0,0]=3 755 B12R1.43 O=C(O)[C@H](F)Nc1cccnn1 0db111dbbb3bffd53d95474b4b6fc8cc [0,1,0,0,0,1|2,0,0]=4 756 B12R1.43 O=C(O)[C@H](F)Nc1ccncc1 a414a383322565f23e896d7ae5438835 [0,1,0,0,0,1|1,0,0]=3 757 B12R1.43 O=C(O)[C@H](F)Nc1ccnnc1 ccd9fa7a039cea40bc609227eae01224 [0,1,0,0,0,1|2,0,0]=4 758 B12R1.43 O=C(O)[C@H](F)Nc1ncccn1 86b346581d38ce10f8ddc5d60cdeedf4 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.43 O=C(O)[C@H](F)Oc1ccnnc1 a754254263e704ba8f89960a88afb7a3 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.107 C=C(Br)CN(C)c1ccccc1 06c8fb625d99bb5fbb827e22684091ba [0,1,0,0,0,1|2,0,0]=4 761 B12R1.107 C=C(C)CN(C)c1ccccc1 892f6b3ce1ea7a9b6cd32d9e819b4a96 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.107 CC(=O)NC(C)c1ccccc1 5ac270090224b04d6e18bd0f40247bab [0,1,0,0,0,1|1,0,0]=3 763 B12R1.107 CC(=O)NC(C)c1ccccn1 9f2410e3ed5d3dedf6c6d0d1d301442e [0,1,0,0,0,1|2,0,0]=4 764 B12R1.107 CC(=O)NC(C)c1cccnc1 bd3e42a6def30cb8723774fd29dfd160 [0,1,0,0,0,1|2,0,0]=4 765 B12R1.107 CC(=O)NC(C)c1ccncc1 c0286e2a14d5d3a09435b90d3ea8035c [0,1,0,0,0,1|2,0,0]=4 766 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 83a412c49d00ac7737895652e0438906 [0,1,0,0,0,1|1,0,0]=3 767 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 bbfb864aee062a617392dbd043149f2d [0,1,0,0,0,1|2,0,0]=4 768 B12R1.107 CC(=O)N[C@@H](C)c1cccnc1 053abbdf2a9a3a050db980212be86e97 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.107 CC(=O)N[C@@H](C)c1ccncc1 e6d5d6c9d8ffc57e06bb54ddb1f511e9 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 6af9f7af8ede42291806b12f353a29c9 [0,1,0,0,0,1|1,0,0]=3 771 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 c6420d1df4c62b07acb66dd07c94413a [0,1,0,0,0,1|2,0,0]=4 772 B12R1.107 CC(=O)N[C@H](C)c1cccnc1 6f5e2b5e5c3e848b6c8230b33688a8e9 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.107 CC(=O)N[C@H](C)c1ccncc1 434ca703e8c14bed1fd8b31e47f0d354 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.107 CC(O)CN(C)c1ccccc1 f96f86be852a8f681918c1e7f925b14c [0,1,0,0,0,1|1,0,1]=4 775 B12R1.107 CN(CC(=O)N)c1ccccc1 75a7fbfa9e6f8caba6a47338e3098cbb [0,1,0,0,0,1|1,0,0]=3 776 B12R1.107 CN(CC(=O)N)c1ccccn1 3e820a4ddf4138d28fbf552f229ee1c0 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.107 CN(CC(=O)N)c1cccnc1 e8370b4d09e11178fecd7e7eec54a25a [0,1,0,0,0,1|2,0,0]=4 778 B12R1.107 CN(CC(=O)N)c1ccncc1 2e06add487ce4c9a1f26639816f5936b [0,1,0,0,0,1|2,0,0]=4 779 B12R1.107 CN(CC(=O)O)c1ccccc1 858f8808a1d727235e14bdbf7ff6ac3d [0,1,0,0,0,1|0,0,0]=2 780 B12R1.107 CN(CC(=O)O)c1ccccn1 b858050342c0cd6e6ffe7fc9ce59e005 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.107 CN(CC(=O)O)c1cccnc1 a068ea195e7c4e5a6506887dbd106203 [0,1,0,0,0,1|1,0,0]=3 782 B12R1.107 CN(CC(=O)O)c1cccnn1 2466a0bed496bd9865c16398e66d11b2 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.107 CN(CC(=O)O)c1ccncc1 6fee849cce3d22ba8d7627ec46bd540a [0,1,0,0,0,1|1,0,0]=3 784 B12R1.107 CN(CC(=O)O)c1ccncn1 14aa860d39eaf198139ef69ddedd287a [0,1,0,0,0,1|2,0,0]=4 785 B12R1.107 CN(CC(=O)O)c1ccnnc1 b5dfa465f5dbbb31411f6f3a8f387934 [0,1,0,0,0,1|2,0,0]=4 786 B12R1.107 CN(CC(=O)O)c1cnccn1 a4e6a3bb02b65b7e5c40b30f763b92be [0,1,0,0,0,1|2,0,0]=4 787 B12R1.107 CN(CC(=O)O)c1ncccn1 0a44343a55c45452a05c4187aa932ced [0,1,0,0,0,1|2,0,0]=4 788 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 f433ba4cb13febaf0c3c3ea79a1db300 [0,1,0,0,0,1|1,0,1]=4 789 B12R1.107 C[C@H](O)CN(C)c1ccccc1 623c379093f4d5c87dbfc7a6a5452bce [0,1,0,0,0,1|1,0,1]=4 790 B12R1.125 C=C(Br)CNc1ccccc1C 4657c50d9329ba9239d0a4b4ba410c5b [0,1,0,0,0,1|2,0,0]=4 791 B12R1.125 C=C(Br)CNc1ccccc1Cl d45567f55e1fc9052c4d6fbe9ec3fec4 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.125 C=C(Br)CNc1ccccc1F 081f7d76cd429ff3a640ebbb2bab5c48 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.125 C=C(Br)CNc1ccccc1I 6c005aa0638e542eca6e8f27330ca5e1 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.125 C=C(Br)COc1ccccc1Br 0a8dbfc73e02b26f281aacdaa7b1315e [0,1,0,0,0,1|2,0,0]=4 795 B12R1.125 C=C(Br)COc1ccccc1C 84596ff61a56220fbcda78de58398bd4 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.125 C=C(Br)COc1ccccc1Cl 5ca36e29308d2b2b569d172e5902816f [0,1,0,0,0,1|2,0,0]=4 797 B12R1.125 C=C(Br)COc1ccccc1F c3913f916a53b122158cba8f29408b07 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.125 C=C(Br)COc1ccccc1I ca488683f399939f2586fcd854b88435 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.125 C=C(Br)COc1ccccc1S 89030288f444d57bdfb48875a6a49f87 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.125 C=C(C)CNc1ccccc1C 0775997f92f40e132d20ea5fe7bd037c [0,1,0,0,0,1|2,0,0]=4 801 B12R1.125 C=C(C)CNc1ccccc1Cl a75535e95522e1719e06cc6979b758b3 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.125 C=C(C)CNc1ccccc1F 9b7c12d4b75b7be7a150f8ba427b5f42 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.125 C=C(C)CNc1ccccc1I f6467f3a4a3ed6a797fa030b9ae4ec92 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.125 C=C(C)CNc1ccccc1S 9590615441677828468f9996a31408ce [0,1,0,0,0,1|2,0,0]=4 805 B12R1.125 C=C(C)COc1ccccc1C 50941d3358717591e5c55d30412cbebf [0,1,0,0,0,1|2,0,0]=4 806 B12R1.125 C=C(C)COc1ccccc1Cl c433224d4376530c43d1e8a4447f9529 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.125 C=C(C)COc1ccccc1F 20b0d2b9bf3e175b0ffacf7761f1d330 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.125 C=C(C)COc1ccccc1I f8be04256775a295a8c22cdfbdfac3ce [0,1,0,0,0,1|2,0,0]=4 809 B12R1.125 C=C(Cl)COc1ccccc1C 968afe78c2e3f95eb3041e200b8caaa6 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.125 C=C(Cl)COc1ccccc1Cl db976e7de0853cb6fe459c444d193a09 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.125 C=C(Cl)COc1ccccc1F 8966ce68e072bd92d4d024ef5ea9f20d [0,1,0,0,0,1|2,0,0]=4 812 B12R1.125 C=C(Cl)COc1ccccc1I dbbad5c9d37a27585b4fc04c7e8576ed [0,1,0,0,0,1|2,0,0]=4 813 B12R1.125 C=C(Cl)COc1ccccc1S 97e42736805cd62eed3b8fcf5ca269ea [0,1,0,0,0,1|2,0,0]=4 814 B12R1.125 C=C(F)CNc1ccccc1Cl ab038ea098ac944eeda37e5b70593fa3 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.125 C=C(F)COc1ccccc1C 51955b97d74f1e854c0cd8e4e38f5221 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.125 C=C(F)COc1ccccc1Cl 04e3a22cded26488b74f578a1747f326 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.125 C=C(F)COc1ccccc1F 44385b6bb5e076de06506a3375514e4f [0,1,0,0,0,1|2,0,0]=4 818 B12R1.125 CC(=O)CNc1c[nH]ccc1=O d880134016167071a48c1ac8908492eb [0,1,0,0,0,1|2,0,0]=4 819 B12R1.125 CC(=O)CNc1c[nH]ccc1=S fd39f3c0dc82853e6eece50a8cd46251 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.125 CC(=O)CNc1cccc[n+]1[O-] 1e4466d88cc761c6bd7498436a712d07 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.125 CC(=O)CNc1ccccc1C 6c131824b73be3bd14e6342145d37cb4 [0,1,0,0,0,1|1,0,0]=3 822 B12R1.125 CC(=O)CNc1ccccc1F 9434eaabf0739c357d09cdea72164c56 [0,1,0,0,0,1|1,0,0]=3 823 B12R1.125 CC(=O)CNc1cccnc1S c348971cb8a885ae3653005661e2c515 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.125 CC(=O)CNc1cnccc1C 84479f65b78e69bba41540a17f93e08c [0,1,0,0,0,1|2,0,0]=4 825 B12R1.125 CC(=O)CNc1cnccc1F 5c8df6dbf1541c5a46cc31528751e049 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.125 CC(=O)CNc1ncccc1C 8c46539dba1af3f1e1a25f7220da0d1f [0,1,0,0,0,1|2,0,0]=4 827 B12R1.125 CC(=O)CNc1ncccc1F 3b414f316fb6f5d0839469fddf69a691 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.125 CC(=O)CNc1ncccc1O 0d8aef73d615e9f0d4ce4315f9f9bb07 [0,1,0,0,0,1|2,0,0]=4 829 B12R1.125 CC(=O)NCc1cccc[n+]1[O-] adc678d961e957320b6e327b1fdff9ab [0,1,0,0,0,1|2,0,0]=4 830 B12R1.125 CC(=O)NCc1ccccc1Br c47d1b381faeb3750f6d77f8a6825780 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.125 CC(=O)NCc1ccccc1C 878373bfe1c9994e38f6b300a4c7508f [0,1,0,0,0,1|1,0,0]=3 832 B12R1.125 CC(=O)NCc1ccccc1Cl b19ee0daad189de3f536de6cee918157 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.125 CC(=O)NCc1ccccc1F 7cb30f4a5a9e7b6ebe7ffa0ec755e5d6 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.125 CC(=O)NCc1ccccc1I 3fdc9f6ca170895ba3e43a993004cbe3 [0,1,0,0,0,1|1,0,0]=3 835 B12R1.125 CC(=O)NCc1ccccc1O 0586c5299a3d61253924ffc29f47c091 [0,1,0,0,0,1|1,0,0]=3 836 B12R1.125 CC(=O)NCc1cccnc1Br 62f6e20039d072bcd7738e6e2318ec61 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.125 CC(=O)NCc1cccnc1C b81f4e2602bed8897ba4d3d274e56b6d [0,1,0,0,0,1|2,0,0]=4 838 B12R1.125 CC(=O)NCc1cccnc1Cl 5ae7fa168c653f1a409fed2b9dc0d75d [0,1,0,0,0,1|2,0,0]=4 839 B12R1.125 CC(=O)NCc1cccnc1F f0671dbd7cff55cce0cc54eb3ae10bb2 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.125 CC(=O)NCc1ccncc1Br c4a95755043f6a0c3d22fc63e4720d23 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.125 CC(=O)NCc1ccncc1C 8c28b95ff25959676d478998d29984fa [0,1,0,0,0,1|2,0,0]=4 842 B12R1.125 CC(=O)NCc1ccncc1Cl 66e09234ca1d6c56ee804d19475e9c3d [0,1,0,0,0,1|2,0,0]=4 843 B12R1.125 CC(=O)NCc1ccncc1F 81b87a60c6add1599b8d077db80dffe5 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.125 CC(=O)NCc1ccncc1O bfcd17ca52115d551859bf61a75280b8 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.125 CC(=O)NCc1cnccc1C 59344c28bf73867bd1874b4bbab5feeb [0,1,0,0,0,1|2,0,0]=4 846 B12R1.125 CC(=O)NCc1ncccc1Br e4fffdfee10e36c569e067c3c218f970 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.125 CC(=O)NCc1ncccc1C aca4e86732225f733801ebe508110b68 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.125 CC(=O)NCc1ncccc1Cl 0b2d7789d42fa9dba1a6fd00984de015 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.125 CC(=O)NCc1ncccc1F 5b6f475df8e6a6b3575519ff77a19400 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.125 CC(=O)NCc1ncccc1O 25474b4a15ab9026b21497dfe5b7bebd [0,1,0,0,0,1|2,0,0]=4 851 B12R1.125 CC(O)CNc1ccccc1Br 4a8178895a974705dd8c5d47896d821f [0,1,0,0,0,1|1,0,1]=4 852 B12R1.125 CC(O)CNc1ccccc1Cl 18a1aeb377915ff3d7752e638825109f [0,1,0,0,0,1|1,0,1]=4 853 B12R1.125 CC(O)CNc1ccccc1F 2118f4d689b50b2f5bf4fe77b0346bb5 [0,1,0,0,0,1|1,0,1]=4 854 B12R1.125 CC(O)CNc1ccccc1I 4ba68e475ff4710ffb78d3e623e4dd83 [0,1,0,0,0,1|1,0,1]=4 855 B12R1.125 CC(O)CNc1ccccc1S c9cd17787d858b75a205fbdc344be6ff [0,1,0,0,0,1|1,0,1]=4 856 B12R1.125 C[C@@H](O)CNc1ccccc1I 9fbcb093ddb932bd7f24eaa426a08c17 [0,1,0,0,0,1|1,0,1]=4 857 B12R1.125 C[C@H](O)CNc1ccccc1Br c817d086f8954ccab620e5f4c72375d6 [0,1,0,0,0,1|1,0,1]=4 858 B12R1.125 C[C@H](O)CNc1ccccc1Cl 764c54c7fa40fe5604a3aadd5e4b8400 [0,1,0,0,0,1|1,0,1]=4 859 B12R1.125 C[C@H](O)CNc1ccccc1F 215b77315898b180d735c74dedf26562 [0,1,0,0,0,1|1,0,1]=4 860 B12R1.125 C[C@H](O)CNc1ccccc1I a750a87f3e2f024043f4659d08af95be [0,1,0,0,0,1|1,0,1]=4 861 B12R1.125 C[C@H](O)CNc1ccccc1S a2817a071e3134750611d07f0df977a7 [0,1,0,0,0,1|1,0,1]=4 862 B12R1.125 Cc1ccccc1NCC(=O)N 4c978c37724271f9e5ca503502e4a95c [0,1,0,0,0,1|1,0,0]=3 863 B12R1.125 Cc1ccccc1NCC(C)O 31ba569e9dedf1c2e9bd352e34766cab [0,1,0,0,0,1|1,0,1]=4 864 B12R1.125 Cc1ccccc1NC[C@H](C)O f7931a4967f5c286879c882148e8589e [0,1,0,0,0,1|1,0,1]=4 865 B12R1.125 Cc1ccccc1NC[N+](=O)[O-] 992e217188e5610b03c03d5e4f1a6393 [0,1,0,0,0,1|1,0,1]=4 866 B12R1.125 Cc1ccccc1OCC(=O)N 65c85d47b7d521254db9f1a046657ca7 [0,1,0,0,0,1|1,0,0]=3 867 B12R1.125 Cc1ccccc1OCC(=O)O 790f516e7054b2979edc9dce7ff0f82c [0,1,0,0,0,1|0,0,0]=2 868 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] d45a246e9fad6af1cc779a85f8389804 [0,1,0,0,0,1|1,0,1]=4 869 B12R1.125 Cc1cccnc1NCC(=O)N 6279c1f8f8a601804017023fbd33d9b7 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.125 Cc1cccnc1NCC(=O)O aa62158196eda69de6b627b630d107a1 [0,1,0,0,0,1|1,0,0]=3 871 B12R1.125 Cc1cccnc1OCC(=O)N de4f104a18b0685424a7aaa4ca5e2367 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.125 Cc1cccnc1OCC(=O)O aef0cdc6fd504f26afc1037e6cae7a61 [0,1,0,0,0,1|1,0,0]=3 873 B12R1.125 Cc1ccncc1NCC(=O)N 84bae3b9d489dcd6547680b303dd64cd [0,1,0,0,0,1|2,0,0]=4 874 B12R1.125 Cc1ccncc1NCC(=O)O b74d6ac8be1e4a78459e9da16f5f3206 [0,1,0,0,0,1|1,0,0]=3 875 B12R1.125 Cc1ccncc1OCC(=O)N 057a42d8b4b00448a60ab450cb305642 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.125 Cc1ccncc1OCC(=O)O c9f7f26deae66f3e00c94bf2e816cdb9 [0,1,0,0,0,1|1,0,0]=3 877 B12R1.125 Cc1ccnnc1NCC(=O)O a7df584753d8538bacf19d749e09a2b5 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.125 Cc1ccnnc1OCC(=O)O 5ecf581d8fcaf6ff264856dfcd26d2da [0,1,0,0,0,1|2,0,0]=4 879 B12R1.125 Cc1cnccc1NCC(=O)N 8f6c9772d712240b88ea172f5c28cc4c [0,1,0,0,0,1|2,0,0]=4 880 B12R1.125 Cc1cnccc1NCC(=O)O d55c714404351a9507611467fca28d6b [0,1,0,0,0,1|1,0,0]=3 881 B12R1.125 Cc1cnccc1OCC(=O)N 2f307a77e4ac134530b5fe37519f253d [0,1,0,0,0,1|2,0,0]=4 882 B12R1.125 Cc1cnccc1OCC(=O)O c9d74eeec7e44ae3b5a77be4f9588ad5 [0,1,0,0,0,1|1,0,0]=3 883 B12R1.125 Cc1cncnc1NCC(=O)O 779fd766ca149abf7bd588c994d82a3d [0,1,0,0,0,1|2,0,0]=4 884 B12R1.125 Cc1cncnc1OCC(=O)O c5fca522e85e70ea28c9c8745b2e6d93 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.125 Cc1ncccc1NCC(=O)N a4dc5c7d4f1a3d3d847d3b83b1433400 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.125 Cc1ncccc1NCC(=O)O 99ba4086f189978e3a289f25f1ea81b6 [0,1,0,0,0,1|1,0,0]=3 887 B12R1.125 Cc1ncccc1OCC(=O)N 4cdc843087eb29ba08107e303fb006fb [0,1,0,0,0,1|2,0,0]=4 888 B12R1.125 Cc1ncccc1OCC(=O)O b0bee3c36496c286240b4779cb89137b [0,1,0,0,0,1|1,0,0]=3 889 B12R1.125 Cc1nccnc1NCC(=O)O ad84c9aa518839e35ec3379c06475f02 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.125 Cc1nccnc1OCC(=O)O a73bb3b3f8a70c3f62edc4638d8039d5 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.125 Cc1ncncc1NCC(=O)O 8d23235050a6fd26908119f8f3aa7fc5 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.125 Cc1ncncc1OCC(=O)O 33926b6eba4d27264343634ac329fd24 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.125 Cc1nnccc1NCC(=O)O e43ac0e3cd6220eb57b0546168895b41 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.125 N=c1ccccn1OCC(=O)N a508bf4ade50d356562c332de768c512 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.125 N=c1ccccn1OCC(=O)O 1e47f1e4b269dbcf4d250dbc64d244e5 [0,1,0,0,0,1|1,0,0]=3 896 B12R1.125 NC(=O)CNc1c[nH]ccc1=O 10530d016e0a94d1f4118b65426b3413 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.125 NC(=O)CNc1ccc[nH]c1=S 5d287772a34f65a9f3a74e9f03afe3a8 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.125 NC(=O)CNc1cccc[n+]1[O-] f3e5ca3957265da96dda4e50cdd164eb [0,1,0,0,0,1|2,0,0]=4 899 B12R1.125 NC(=O)CNc1ccccc1Br 84d13fb81d420b02ad721dd5bd88a714 [0,1,0,0,0,1|1,0,0]=3 900 B12R1.125 NC(=O)CNc1ccccc1Cl e17a260dd99104afe7ca3ae04e34d4d7 [0,1,0,0,0,1|1,0,0]=3 901 B12R1.125 NC(=O)CNc1ccccc1F 6bf0988ddcbc0b04aff2f6654553700b [0,1,0,0,0,1|1,0,0]=3 902 B12R1.125 NC(=O)CNc1ccccc1I dcaacb80c810b9d807785ec71f31a86b [0,1,0,0,0,1|1,0,0]=3 903 B12R1.125 NC(=O)CNc1ccccc1S 4fadc8f1c098a43ac2d8a7d437fc27df [0,1,0,0,0,1|1,0,0]=3 904 B12R1.125 NC(=O)CNc1cccnc1Br 39b8e30aef4d8f5867308d58236fd079 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.125 NC(=O)CNc1cccnc1Cl 5b1942268148d1ca59276301d036b8fb [0,1,0,0,0,1|2,0,0]=4 906 B12R1.125 NC(=O)CNc1cccnc1F 3ca7e9c278e741eafe5eab1fbe52a00d [0,1,0,0,0,1|2,0,0]=4 907 B12R1.125 NC(=O)CNc1cccnc1I 31c53ada0862e8bac1a71532044d5c3e [0,1,0,0,0,1|2,0,0]=4 908 B12R1.125 NC(=O)CNc1ccncc1Br a24bd4d119fb73de44ebba608c09f2f3 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.125 NC(=O)CNc1ccncc1Cl d9e1e63f7bdff5cd83d5005ed2bae523 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.125 NC(=O)CNc1ccncc1F a73ff1cbe7f2c5cbfde0b69ef3c8afb5 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.125 NC(=O)CNc1ccncc1I f74ce8f7269638b20a30afc77e91d662 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.125 NC(=O)CNc1cnccc1Br 3518a4099d493fe2b473262ef32fe375 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.125 NC(=O)CNc1cnccc1Cl 039804935cd253d1f61d82d305179c6a [0,1,0,0,0,1|2,0,0]=4 914 B12R1.125 NC(=O)CNc1cnccc1F c4115acbcb503c636eab71bdf7d58cc7 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.125 NC(=O)CNc1cnccc1I 3942dfdc59099de4382b251852117f5c [0,1,0,0,0,1|2,0,0]=4 916 B12R1.125 NC(=O)CNc1cnccc1S 630ff8028fbe0e98866fbd6ba013fd5b [0,1,0,0,0,1|2,0,0]=4 917 B12R1.125 NC(=O)CNc1ncccc1Br c4887be3e31b0e864941ae812f78887c [0,1,0,0,0,1|2,0,0]=4 918 B12R1.125 NC(=O)CNc1ncccc1Cl 744b141f4f902938a6e1747791f5e3a0 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.125 NC(=O)CNc1ncccc1F 5a94141469257067811b07f286c0f3b1 [0,1,0,0,0,1|2,0,0]=4 920 B12R1.125 NC(=O)CNc1ncccc1I b8cb72d380e87ffd9ea96d89098a4950 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.125 NC(=O)CNc1ncccc1O 166a28002db4c383d0c78dfdeff84c3e [0,1,0,0,0,1|2,0,0]=4 922 B12R1.125 NC(=O)COc1ccc[nH]c1=S e6d377bbb8d4f4678e22c59b9135000d [0,1,0,0,0,1|2,0,0]=4 923 B12R1.125 NC(=O)COc1cccc[n+]1[O-] dfa8da5032470ec88a5993dbd1b7d8d2 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.125 NC(=O)COc1ccccc1Br f87e8cd0c5533403bd0ba3b59fc28756 [0,1,0,0,0,1|1,0,0]=3 925 B12R1.125 NC(=O)COc1ccccc1Cl 20cf67be8a8d96e04362f18b2681e314 [0,1,0,0,0,1|1,0,0]=3 926 B12R1.125 NC(=O)COc1ccccc1F fda35785d6bb43128e6ca9e02c08647d [0,1,0,0,0,1|1,0,0]=3 927 B12R1.125 NC(=O)COc1ccccc1I ac02b8ab0554f8566675b8e7fa2cc5d1 [0,1,0,0,0,1|1,0,0]=3 928 B12R1.125 NC(=O)COc1ccccc1S 8fb4e4a8ea78b8752805c416da8e81ba [0,1,0,0,0,1|1,0,0]=3 929 B12R1.125 NC(=O)COc1cccnc1Br e808e9e8dacca29f66f4e77c12de9b6c [0,1,0,0,0,1|2,0,0]=4 930 B12R1.125 NC(=O)COc1cccnc1Cl 80c2f48e73a18de1b1c6492bbae70ba7 [0,1,0,0,0,1|2,0,0]=4 931 B12R1.125 NC(=O)COc1cccnc1F e29be8401a98dc58036e0ed25895853f [0,1,0,0,0,1|2,0,0]=4 932 B12R1.125 NC(=O)COc1cccnc1I 1d8352be078700e5dd0c5a1cbf623d4f [0,1,0,0,0,1|2,0,0]=4 933 B12R1.125 NC(=O)COc1cccoc1=O 096daf90e35a4dcb31bd95f5076568dd [0,1,0,0,0,1|2,0,0]=4 934 B12R1.125 NC(=O)COc1ccncc1Br 66a5d20e9cd5709da0438e658b267358 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.125 NC(=O)COc1ccncc1Cl 0bb92382d3019859fbaee869d4a6b03f [0,1,0,0,0,1|2,0,0]=4 936 B12R1.125 NC(=O)COc1ccncc1F f5eece7e190984ab90e6e0cc7815b1fb [0,1,0,0,0,1|2,0,0]=4 937 B12R1.125 NC(=O)COc1cnccc1Br 6ccc4ea529e1374c81c085bf1890ad67 [0,1,0,0,0,1|2,0,0]=4 938 B12R1.125 NC(=O)COc1cnccc1Cl 26a5d70f55f6d974a11ba7e498286758 [0,1,0,0,0,1|2,0,0]=4 939 B12R1.125 NC(=O)COc1cnccc1F 4ac838965fca00ae51370d7563948960 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.125 NC(=O)COc1cnccc1I f31fe0a229c5e09d633ca1bbd142d126 [0,1,0,0,0,1|2,0,0]=4 941 B12R1.125 NC(=O)COc1coccc1=O 1e7462f5a90a3f27b18c947afa9a9d2f [0,1,0,0,0,1|2,0,0]=4 942 B12R1.125 NC(=O)COc1ncccc1Br f61c0eb9d1ffb502b89f756d81d82521 [0,1,0,0,0,1|2,0,0]=4 943 B12R1.125 NC(=O)COc1ncccc1Cl 6444bd676dd740ad0661c6315c6b01fc [0,1,0,0,0,1|2,0,0]=4 944 B12R1.125 NC(=O)COc1ncccc1F 020bb16a06c2bcec11548f2e2b34a50f [0,1,0,0,0,1|2,0,0]=4 945 B12R1.125 NC(=O)COn1ccccc1=O 0b6d7f07a21851b90df487dc14ea544d [0,1,0,0,0,1|2,0,0]=4 946 B12R1.125 NC(=O)COn1ccccc1=S a3061a58c111ccfe5e315cd6bdad22de [0,1,0,0,0,1|2,0,0]=4 947 B12R1.125 O=C(O)CNc1c[nH]cnc1=O 8f933155611009027fce0d32f10af55b [0,1,0,0,0,1|2,0,0]=4 948 B12R1.125 O=C(O)CNc1ccc[nH]c1=S bc93393ba08b7ace2515d6a1d845d9bd [0,1,0,0,0,1|1,0,0]=3 949 B12R1.125 O=C(O)CNc1cccc[n+]1[O-] f117082cc8e2e23b361851e8c006840a [0,1,0,0,0,1|1,0,0]=3 950 B12R1.125 O=C(O)CNc1ccccc1Cl 72ceb1a4580a5539766aacebb9f5208d [0,1,0,0,0,1|0,0,0]=2 951 B12R1.125 O=C(O)CNc1ccccc1F d5281a80776d04d3f57a32b19190a866 [0,1,0,0,0,1|0,0,0]=2 952 B12R1.125 O=C(O)CNc1ccccc1I cf8eefbc4134617c6d29c73960171e74 [0,1,0,0,0,1|0,0,0]=2 953 B12R1.125 O=C(O)CNc1cccnc1Br 8cb08701749d0830fa8266385dd12da0 [0,1,0,0,0,1|1,0,0]=3 954 B12R1.125 O=C(O)CNc1cccnc1Cl 6e8c12bd715383f6d94fd75d0d785c9a [0,1,0,0,0,1|1,0,0]=3 955 B12R1.125 O=C(O)CNc1cccnc1F 6c8f6d2f355cfc245539d54d80451087 [0,1,0,0,0,1|1,0,0]=3 956 B12R1.125 O=C(O)CNc1cccnc1I 2d86a074ce5788e1e1586753463c501f [0,1,0,0,0,1|1,0,0]=3 957 B12R1.125 O=C(O)CNc1ccn[nH]c1=O 81024147237cf90578973639f8558e93 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.125 O=C(O)CNc1ccn[nH]c1=S 10d681a802fab8be789082b643f9e17e [0,1,0,0,0,1|2,0,0]=4 959 B12R1.125 O=C(O)CNc1ccncc1Br 7d66a3d268f7b59b1edebd7f8680a9ce [0,1,0,0,0,1|1,0,0]=3 960 B12R1.125 O=C(O)CNc1ccncc1Cl eb1a73ea23064d3b99f88caab9851fe2 [0,1,0,0,0,1|1,0,0]=3 961 B12R1.125 O=C(O)CNc1ccncc1F bd541e691118af0f00a02b8a1d31ea2e [0,1,0,0,0,1|1,0,0]=3 962 B12R1.125 O=C(O)CNc1ccncc1I 62f88828bc7780ee92074813a9902618 [0,1,0,0,0,1|1,0,0]=3 963 B12R1.125 O=C(O)CNc1ccnnc1Br 20046cabd1a471129a3c843241527e1b [0,1,0,0,0,1|2,0,0]=4 964 B12R1.125 O=C(O)CNc1ccnnc1Cl bb2d5c4d94ebfde63944cbbb227fecb3 [0,1,0,0,0,1|2,0,0]=4 965 B12R1.125 O=C(O)CNc1cnccc1Br a1d64713200b65fee2d8365a560faf8f [0,1,0,0,0,1|1,0,0]=3 966 B12R1.125 O=C(O)CNc1cnccc1Cl 2e20002c181ac9ece27f8e763e180410 [0,1,0,0,0,1|1,0,0]=3 967 B12R1.125 O=C(O)CNc1cnccc1F b7b76774271024f4ebf30bf4b508fd12 [0,1,0,0,0,1|1,0,0]=3 968 B12R1.125 O=C(O)CNc1cnccc1I e0947c6ae4d92f6b95e770f53cf255dd [0,1,0,0,0,1|1,0,0]=3 969 B12R1.125 O=C(O)CNc1cnccc1S ea3e8fce9d52b969c46363bacc5d7021 [0,1,0,0,0,1|1,0,0]=3 970 B12R1.125 O=C(O)CNc1cncnc1Br 6acc7755ead099f05db4d8d5a9ed550b [0,1,0,0,0,1|2,0,0]=4 971 B12R1.125 O=C(O)CNc1cncnc1Cl 5ff1d3f1eb1b3c6289cd1c117550b016 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.125 O=C(O)CNc1cnncc1Br 0a74f9b42cc84b6a64764c9e6ddd7db6 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.125 O=C(O)CNc1cnncc1Cl 8af8aa12c15a0b84e0b6942b7ce3c639 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.125 O=C(O)CNc1ncccc1Br 9ad9c05dfc0378e492023ba19a93c17c [0,1,0,0,0,1|1,0,0]=3 975 B12R1.125 O=C(O)CNc1ncccc1Cl 0a371beb3de0fc9972bbc2d367c26293 [0,1,0,0,0,1|1,0,0]=3 976 B12R1.125 O=C(O)CNc1ncccc1F 7e2b18fa56a78607e167d047897e7cd5 [0,1,0,0,0,1|1,0,0]=3 977 B12R1.125 O=C(O)CNc1ncccc1I 101c048a44fb5ca095ba100018a5010f [0,1,0,0,0,1|1,0,0]=3 978 B12R1.125 O=C(O)CNc1nccnc1Br 349f1e16b524f39c248632397f521573 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.125 O=C(O)CNc1nccnc1Cl 7b292149d9804f3f77cdb29308acb045 [0,1,0,0,0,1|2,0,0]=4 980 B12R1.125 O=C(O)CNc1nccnc1I d25b7c45f2e5c140b7f6d4834bf43fea [0,1,0,0,0,1|2,0,0]=4 981 B12R1.125 O=C(O)CNc1ncncc1Br 053677a418653f4fc34e9da6b7f5796e [0,1,0,0,0,1|2,0,0]=4 982 B12R1.125 O=C(O)CNc1ncncc1Cl 8a3c63b3bb44cde7840f748ecbd61828 [0,1,0,0,0,1|2,0,0]=4 983 B12R1.125 O=C(O)CNc1ncncc1F 00cb638ffdc834994ac4688af45c3f33 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.125 O=C(O)CNc1ncncc1I dbb1a621d59454a9ae183535228ce387 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.125 O=C(O)COc1c[nH]cnc1=O f194d45e879524f407f3694015c9f384 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.125 O=C(O)COc1ccc[nH]c1=S b687308e545781e8772590d02e603ef0 [0,1,0,0,0,1|1,0,0]=3 987 B12R1.125 O=C(O)COc1cccc[n+]1[O-] c7732bc44db735a6f00ca123f5333ef9 [0,1,0,0,0,1|1,0,0]=3 988 B12R1.125 O=C(O)COc1ccccc1Cl 9d360724e65d0a9db0c9ea2961f67e23 [0,1,0,0,0,1|0,0,0]=2 989 B12R1.125 O=C(O)COc1ccccc1F c16281f1eb871a500227c73f62ec1311 [0,1,0,0,0,1|0,0,0]=2 990 B12R1.125 O=C(O)COc1ccccc1I 4eb3edec4284410b4281af3af43661de [0,1,0,0,0,1|0,0,0]=2 991 B12R1.125 O=C(O)COc1cccnc1Br 8dc3e18e00f10ef6cd87f6c977d0e90e [0,1,0,0,0,1|1,0,0]=3 992 B12R1.125 O=C(O)COc1cccnc1Cl 766f4a33d90b6cf290ca7c2125685319 [0,1,0,0,0,1|1,0,0]=3 993 B12R1.125 O=C(O)COc1cccnc1F f95c0593e0c115853416d7ceea454837 [0,1,0,0,0,1|1,0,0]=3 994 B12R1.125 O=C(O)COc1cccnc1I c6cdb4b3c6728d988d68b32984252ada [0,1,0,0,0,1|1,0,0]=3 995 B12R1.125 O=C(O)COc1cccoc1=O 0fb2ee980829489da142baafe05fc055 [0,1,0,0,0,1|1,0,0]=3 996 B12R1.125 O=C(O)COc1ccncc1Br 90da527292305fcf3dc0108d3605255c [0,1,0,0,0,1|1,0,0]=3 997 B12R1.125 O=C(O)COc1ccncc1Cl ab3d972601c7ad0c079282e52d525a54 [0,1,0,0,0,1|1,0,0]=3 998 B12R1.125 O=C(O)COc1ccncc1F afb0e75c30d02b389aaa5883651ef17c [0,1,0,0,0,1|1,0,0]=3 999 B12R1.125 O=C(O)COc1ccnnc1Cl 87a0f5ea21cf1754fa1e91dda6e6300a [0,1,0,0,0,1|2,0,0]=4 1000 B12R1.125 O=C(O)COc1cnccc1Br 86d992641fba0990f277ae76452ecae3 [0,1,0,0,0,1|1,0,0]=3 1001 B12R1.125 O=C(O)COc1cnccc1Cl 70ddf959762740ebc0cfe33ba8e96712 [0,1,0,0,0,1|1,0,0]=3 1002 B12R1.125 O=C(O)COc1cnccc1F bd94a5fe6181365885e401df67f20928 [0,1,0,0,0,1|1,0,0]=3 1003 B12R1.125 O=C(O)COc1cnccc1I 608aa01d20018e75d39dfa5e3a401a36 [0,1,0,0,0,1|1,0,0]=3 1004 B12R1.125 O=C(O)COc1cncnc1I 36d132f13377a4b0c268443f33fdba6c [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.125 O=C(O)COc1cnncc1Br d2847ee342fbbaae6c99f19597313d99 [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.125 O=C(O)COc1cnncc1Cl cc1d088d0448d8260e86bd1bff166500 [0,1,0,0,0,1|2,0,0]=4 1007 B12R1.125 O=C(O)COc1coccc1=O 9434ab7454254d4a7119567c03c7c28b [0,1,0,0,0,1|1,0,0]=3 1008 B12R1.125 O=C(O)COc1ncccc1Br 02a9bc860e0fc60f0b807d8997a49879 [0,1,0,0,0,1|1,0,0]=3 1009 B12R1.125 O=C(O)COc1ncccc1Cl 5fa65710b91420359b765c83bf56bea9 [0,1,0,0,0,1|1,0,0]=3 1010 B12R1.125 O=C(O)COc1ncccc1F 5b66b0c58a373fa1a3d6821a4622fe54 [0,1,0,0,0,1|1,0,0]=3 1011 B12R1.125 O=C(O)COc1nccnc1Br 878351be5a2d99d4b42e9cda44fac69f [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.125 O=C(O)COc1ncncc1Cl b3b10d67df0b95166ee99b9b6dc3e3ff [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.125 O=C(O)COc1ncncc1F 1c43312af51e6b360729927c3eccc4e5 [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.125 O=C(O)COc1ncncc1I 7514e0d935f3daa64c9daaeb50b622c2 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.125 O=C(O)COc1nnccc1Cl 164970357eed3702550708557a916b6a [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.125 O=C(O)COc1nnccc1I be1169357798d43157e58952cb3c4267 [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.125 O=C(O)COn1ccccc1=O 2884cc7dfc01976f5fd85610687878d1 [0,1,0,0,0,1|1,0,0]=3 1018 B12R1.125 O=C(O)COn1ccccc1=S b8054a0978297b25f867db87a021adc5 [0,1,0,0,0,1|1,0,0]=3 1019 B12R1.125 O=[N+]([O-])CNc1ccccc1Br b7855ffd46bd5ba472f4a83c733f257c [0,1,0,0,0,1|1,0,1]=4 1020 B12R1.125 O=[N+]([O-])CNc1ccccc1Cl 4a912d9589c8c20ab2ba30cc85a83e1b [0,1,0,0,0,1|1,0,1]=4 1021 B12R1.125 O=[N+]([O-])CNc1ccccc1F fe35f29e68a52841987aa54521b93667 [0,1,0,0,0,1|1,0,1]=4 1022 B12R1.125 O=[N+]([O-])CNc1ccccc1I a4c302c1ab7eade1212c0d82be44dac0 [0,1,0,0,0,1|1,0,1]=4 1023 B12R1.125 O=[N+]([O-])COc1ccccc1Br 66128051c86a6d95c283717ba26d6e14 [0,1,0,0,0,1|1,0,1]=4 1024 B12R1.125 O=[N+]([O-])COc1ccccc1Cl ed60aa7bb9ea8ab818b478964c7e7924 [0,1,0,0,0,1|1,0,1]=4 1025 B12R1.125 O=[N+]([O-])COc1ccccc1F 327b404bee91251ead388d7691897dc7 [0,1,0,0,0,1|1,0,1]=4 1026 B12R1.125 O=[N+]([O-])COc1ccccc1I dc274e83de16f392572f762e0a140ca3 [0,1,0,0,0,1|1,0,1]=4 1027 B12R1.125 O=[N+]([O-])COc1ccccc1S 31e665bd002e329badb57b656eca25f1 [0,1,0,0,0,1|1,0,1]=4 1028 B12R1.226 C=C(Br)CNc1cccc(c1)Br 783cfb11fe9eac68eb7c903ed7d4e9f9 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.226 C=C(Br)CNc1cccc(c1)C a0c5869ccb53ce5aa1b41fba7f91d5a4 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.226 C=C(Br)CNc1cccc(c1)Cl 37b9364cd45f7a75ca13c73b88a65b06 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.226 C=C(Br)CNc1cccc(c1)F d332823345c08ec26b49292127c2bbb8 [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.226 C=C(Br)CNc1cccc(c1)I 5dea8350a3833e19406207d27b6c1193 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.226 C=C(Br)CNc1cccc(c1)S f7a9abddc9bed3239a1ea1eb9d644c02 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.226 C=C(Br)COc1cccc(c1)Br 64d6c1f6ad04850e297936735008ef2d [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.226 C=C(Br)COc1cccc(c1)C ce43e396065fbf5a1aa375db807cd8ab [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.226 C=C(Br)COc1cccc(c1)Cl f863156a462dcf109966acd61ec888fd [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.226 C=C(Br)COc1cccc(c1)F 42f51a4cf5b3445ed85fba9f8ffd216d [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.226 C=C(Br)COc1cccc(c1)I e28c27cdd5d6b5df3845c2ccc4ca813c [0,1,0,0,0,1|2,0,0]=4 1039 B12R1.226 C=C(Br)COc1cccc(c1)S d4a2a9998279c232b6609d37255dc92d [0,1,0,0,0,1|2,0,0]=4 1040 B12R1.226 C=C(C)CNc1cccc(c1)Br de1e76ede883aee85cbcf5339a7f8f25 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.226 C=C(C)CNc1cccc(c1)C 0f8e64f7c75a7af21f7e45d5d7851656 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34927e69a4522517159f6f62ef580aec [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.226 C=C(C)CNc1cccc(c1)F e57cadd3f881c2b4adb44901fb57d5ad [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.226 C=C(C)CNc1cccc(c1)I 26a6f07a6c1f09cf7f9c9ba1e22512f8 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.226 C=C(C)CNc1cccc(c1)S a2bb3bbb8593e8517ca2355f15a3da0d [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.226 C=C(C)COc1cccc(c1)Br 270e0e9cec9d46a473b1bc9a8dcff70c [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.226 C=C(C)COc1cccc(c1)C 9b7f8a285f7e1ff408aa84ad50ead534 [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.226 C=C(C)COc1cccc(c1)Cl 4a4b3322147858a73bc9162445708e27 [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.226 C=C(C)COc1cccc(c1)F 8939a2d27aa59e5b53fcf26c7a2c6fcb [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.226 C=C(C)COc1cccc(c1)I c7035a9fe74ceb65e4fb7171f5f2ff65 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.226 C=C(C)COc1cccc(c1)S e177be72ee62f401e97990216337270e [0,1,0,0,0,1|2,0,0]=4 1052 B12R1.226 C=C(Cl)CNc1cccc(c1)Br 519c785daf04ab9f74021221ecfae424 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.226 C=C(Cl)CNc1cccc(c1)C cb74a7b776d947217c55680515dbe0d3 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.226 C=C(Cl)CNc1cccc(c1)Cl 2bcbb3bc627a1cc5c856d8a054770c01 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.226 C=C(Cl)CNc1cccc(c1)F c9852a11395d6f76d41107c8a55899fe [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.226 C=C(Cl)CNc1cccc(c1)I fc89e65bb728585be3dcd35e1ef4554c [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.226 C=C(Cl)COc1cccc(c1)Br 65e042dd091d20063dfc671385149795 [0,1,0,0,0,1|2,0,0]=4 1058 B12R1.226 C=C(Cl)COc1cccc(c1)C 508f42c4ff0ab32aaa8b6ce4ffb75b78 [0,1,0,0,0,1|2,0,0]=4 1059 B12R1.226 C=C(Cl)COc1cccc(c1)Cl a8af7c0c52a26d2b2560b21f94796d4d [0,1,0,0,0,1|2,0,0]=4 1060 B12R1.226 C=C(Cl)COc1cccc(c1)F a6cb3b6cb876e2dbee535bc804bb14f4 [0,1,0,0,0,1|2,0,0]=4 1061 B12R1.226 C=C(Cl)COc1cccc(c1)I abe735336edca9a8bb4647766352c1be [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.226 C=C(Cl)COc1cccc(c1)S ac24f72562824a2b76b28007b2a59a45 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.226 C=C(F)CNc1cccc(c1)Br 81dc49db69137d80899f2eb7d407d0e8 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.226 C=C(F)CNc1cccc(c1)C 0d031daee20d361546ef3a6411d37f22 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.226 C=C(F)CNc1cccc(c1)Cl a5b9e0a420faab075effd4bd74197184 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.226 C=C(F)CNc1cccc(c1)F 0aed357000640187f6d1a0f4d3a95627 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.226 C=C(F)CNc1cccc(c1)I ff63f5f903ad6aa5931b69ff5fd4be1b [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.226 C=C(F)COc1cccc(c1)Br e48d94f59f7ed5a60bd4810e7c71bee6 [0,1,0,0,0,1|2,0,0]=4 1069 B12R1.226 C=C(F)COc1cccc(c1)C c11aa0f30c92a2fcf1a2ced48c2cd71b [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.226 C=C(F)COc1cccc(c1)Cl 99507da9f53ea2053bf07df9cdbf9276 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.226 C=C(F)COc1cccc(c1)F e9ffc741b392295291b8ea4ddf1a6f8f [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.226 C=C(F)COc1cccc(c1)I eb7d41c14b650f27654259fbf29c9f3c [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.226 C=C(F)COc1cccc(c1)S 81e9e53be44dc4d18480625d811a3c55 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.226 CC(=O)CNc1cc(ccn1)C 3aafab600ba32790f0ee0be2b99f0860 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.226 CC(=O)CNc1cc(ccn1)F a17d6b45dbbcbf83cb475fd3643b7b18 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.226 CC(=O)CNc1cc(ccn1)O eb39aaaa18769243057b64a56cf36a1e [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.226 CC(=O)CNc1ccc[n+](c1)[O-] 59e9dba962c06b745303cdbdb20759b9 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.226 CC(=O)CNc1cccc(=O)[nH]1 3b9165d06c45896eef9d8a6fbd66f50c [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.226 CC(=O)CNc1cccc(c1)C 33e32618ff2915ad648437dd5dce6cbd [0,1,0,0,0,1|1,0,0]=3 1080 B12R1.226 CC(=O)CNc1cccc(c1)F 1b1aeadc0fd3e934a52dcdc2c9f88ad3 [0,1,0,0,0,1|1,0,0]=3 1081 B12R1.226 CC(=O)CNc1cccc(c1)O 58381ec1392288e974af170ef04a232f [0,1,0,0,0,1|1,0,0]=3 1082 B12R1.226 CC(=O)CNc1cccc(c1)S d6d61e3f91394fcd573c1e423d8034bd [0,1,0,0,0,1|1,0,0]=3 1083 B12R1.226 CC(=O)CNc1cccc(n1)C a13e6b5db7aa5f180e3645c0af3807d0 [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.226 CC(=O)CNc1ccnc(c1)C 17055fe53fce5b0b1cc59230b164578e [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.226 CC(=O)CNc1ccnc(c1)F fd38cc96e83e86cdda6f5512b0a81478 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.226 CC(=O)CNc1cncc(c1)F 72ede5e37e35fcc8ab079e2a27873d52 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.226 CC(=O)NCc1cc(ccn1)Br 3c346d9dddff29000302a5d526317a77 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.226 CC(=O)NCc1cc(ccn1)C 429b26804f717563030425c491283281 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 7586965aa22ceb837f608b8f0594f814 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.226 CC(=O)NCc1ccc[n+](c1)[O-] 24275597d47510c3e041f2e83bfada16 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.226 CC(=O)NCc1cccc(c1)Br de12b91af74adce6491e684ee046a109 [0,1,0,0,0,1|1,0,0]=3 1092 B12R1.226 CC(=O)NCc1cccc(c1)C 2a897b53ee5ae4ee12831959238615eb [0,1,0,0,0,1|1,0,0]=3 1093 B12R1.226 CC(=O)NCc1cccc(c1)Cl 41ca11020cbae0363ca80ce2470c3eaa [0,1,0,0,0,1|1,0,0]=3 1094 B12R1.226 CC(=O)NCc1cccc(c1)F 01d6391ca1042cdbb55ba2e4912ec579 [0,1,0,0,0,1|1,0,0]=3 1095 B12R1.226 CC(=O)NCc1cccc(c1)I 5fa08dbe9ba4e88c69d843155ffafe98 [0,1,0,0,0,1|1,0,0]=3 1096 B12R1.226 CC(=O)NCc1cccc(c1)O c305a8cebe934755e5a41fc4c98fdcfd [0,1,0,0,0,1|1,0,0]=3 1097 B12R1.226 CC(=O)NCc1cccc(n1)Br 0f60240374d98f44993e2c5ba8414971 [0,1,0,0,0,1|2,0,0]=4 1098 B12R1.226 CC(=O)NCc1cccc(n1)C ff894d8ae2ecfa1c00d2f0abc4131898 [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.226 CC(=O)NCc1cccc(n1)Cl 420099df8a33fec62f353266fdcc63a0 [0,1,0,0,0,1|2,0,0]=4 1100 B12R1.226 CC(=O)NCc1cccc(n1)F cc4f35c3fc7c759cf2a59c9c9b1dd0b0 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.226 CC(=O)NCc1ccnc(c1)Br eab8b2206918807938ea11ddc79a956b [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.226 CC(=O)NCc1ccnc(c1)C d16c7b99677f4c6cc1ac59a6ab724882 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 8d995cea5bcc2a694c9b597f899eb394 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.226 CC(=O)NCc1ccnc(c1)F 1cf74abba14b4f8a94b3bc1bf310b512 [0,1,0,0,0,1|2,0,0]=4 1105 B12R1.226 CC(=O)NCc1cncc(c1)Br 98628582e14e1ea7e3b382b4593d9efa [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.226 CC(=O)NCc1cncc(c1)C a0b0222bd9beefb065992dcbb0f9157d [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.226 CC(=O)NCc1cncc(c1)Cl 8cfb134e8659701dd7549b104bf96d89 [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.226 CC(=O)NCc1cncc(c1)F aa4ed4c60f5c266021a898f6861ab12a [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.226 CC(=O)NCc1cncc(c1)O 6871085a4fa5a87c8288016f463922cc [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.226 CC(O)CNc1cccc(c1)Br 1313cc150d07e3249eb16f742927aba5 [0,1,0,0,0,1|1,0,1]=4 1111 B12R1.226 CC(O)CNc1cccc(c1)Cl b0b36293e53ebea3215e5b365b1c91a1 [0,1,0,0,0,1|1,0,1]=4 1112 B12R1.226 CC(O)CNc1cccc(c1)F 7b51f8f85220316ed6f71fbb6c6e04a1 [0,1,0,0,0,1|1,0,1]=4 1113 B12R1.226 CC(O)CNc1cccc(c1)I e3b39e215b46b137d14817575c01ba24 [0,1,0,0,0,1|1,0,1]=4 1114 B12R1.226 CC(O)CNc1cccc(c1)S 78e49f113d0630c078debe2e470f3646 [0,1,0,0,0,1|1,0,1]=4 1115 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 7f47c7e325073bbe1ddb7b38bff8b932 [0,1,0,0,0,1|1,0,1]=4 1116 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 8246dcd52dcd9ed0dbef7338a7f127b3 [0,1,0,0,0,1|1,0,1]=4 1117 B12R1.226 C[C@@H](O)CNc1cccc(c1)F e736be531156c2b7166ca634fb8a70ce [0,1,0,0,0,1|1,0,1]=4 1118 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 4db71a0fd089913b0233a85b00396803 [0,1,0,0,0,1|1,0,1]=4 1119 B12R1.226 C[C@H](O)CNc1cccc(c1)Br a49c8030ae048c6affea28034df1531a [0,1,0,0,0,1|1,0,1]=4 1120 B12R1.226 C[C@H](O)CNc1cccc(c1)Cl 2370f8fa6414cdc9dd596258b1f50ab7 [0,1,0,0,0,1|1,0,1]=4 1121 B12R1.226 C[C@H](O)CNc1cccc(c1)F 81dcc6ac1cc4da1e70d103a206dd18af [0,1,0,0,0,1|1,0,1]=4 1122 B12R1.226 C[C@H](O)CNc1cccc(c1)I f90f80969bfd6ec1423e67f3dd3ecafa [0,1,0,0,0,1|1,0,1]=4 1123 B12R1.226 C[C@H](O)CNc1cccc(c1)S 0421b4bf0fcc630d12159982ed02f691 [0,1,0,0,0,1|1,0,1]=4 1124 B12R1.226 Cc1cc(ccn1)NCC(=O)N 3f5b02efa52eae4b376cd59b017e1b21 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.226 Cc1cc(ccn1)NCC(=O)O 46689ec49acc13231addcdcb8e787882 [0,1,0,0,0,1|1,0,0]=3 1126 B12R1.226 Cc1cc(ccn1)OCC(=O)N 799f1c59a1c4c23415ae498e8ee3465b [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.226 Cc1cc(ccn1)OCC(=O)O 9adc6848614c8a8b7d81fc23c124de85 [0,1,0,0,0,1|1,0,0]=3 1128 B12R1.226 Cc1cc(ncn1)NCC(=O)O 69e5738e528a326d80d04ca72b878695 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.226 Cc1cc(ncn1)OCC(=O)O 2c7fa4a51aa33597511d7fe28944de97 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.226 Cc1cccc(c1)NCC(=O)N a9478d56f33114bd167b963cb61b2fc8 [0,1,0,0,0,1|1,0,0]=3 1131 B12R1.226 Cc1cccc(c1)NCC(=O)O 70649742ccf1605dab9ff92fff0b0048 [0,1,0,0,0,1|0,0,0]=2 1132 B12R1.226 Cc1cccc(c1)NCC(C)O 6ec20ee81cd6564f027fad7c9046635a [0,1,0,0,0,1|1,0,1]=4 1133 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O b7ae52517241209d5ba2933489a9a337 [0,1,0,0,0,1|1,0,1]=4 1134 B12R1.226 Cc1cccc(c1)NC[C@H](C)O 1a909dc0c3197c842cec2d227814451e [0,1,0,0,0,1|1,0,1]=4 1135 B12R1.226 Cc1cccc(c1)NC[N+](=O)[O-] 88685617d60468146c2888434de32438 [0,1,0,0,0,1|1,0,1]=4 1136 B12R1.226 Cc1cccc(c1)OCC(=O)N 16a44453f170d65f64f00cf1d07bc09c [0,1,0,0,0,1|1,0,0]=3 1137 B12R1.226 Cc1cccc(c1)OCC(=O)O 786604a4d9b6b5a28358b6494e3779c8 [0,1,0,0,0,1|0,0,0]=2 1138 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] c98dd8c2978874bce9905560d4ea51b8 [0,1,0,0,0,1|1,0,1]=4 1139 B12R1.226 Cc1cccc(n1)NCC(=O)N b2a9b4cf38d9bb3052ea5fc866c2fbd4 [0,1,0,0,0,1|2,0,0]=4 1140 B12R1.226 Cc1cccc(n1)NCC(=O)O 508c5f1792285bd542230255ce96305d [0,1,0,0,0,1|1,0,0]=3 1141 B12R1.226 Cc1cccc(n1)OCC(=O)N f9f4894bbc4cf2230fd0558e0990acf9 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.226 Cc1cccc(n1)OCC(=O)O 2ac6a2949778ca5cc15d649f5fb5b1f6 [0,1,0,0,0,1|1,0,0]=3 1143 B12R1.226 Cc1ccnc(c1)NCC(=O)N 098c11ebb7239ab4c3b0d98f72a046c1 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.226 Cc1ccnc(c1)NCC(=O)O 57b78656ff016cc57e314f1373920633 [0,1,0,0,0,1|1,0,0]=3 1145 B12R1.226 Cc1ccnc(c1)OCC(=O)N da857bd2df10fb254977a501bc2751e0 [0,1,0,0,0,1|2,0,0]=4 1146 B12R1.226 Cc1ccnc(c1)OCC(=O)O 9895fd91678c1e22da13883e3b2ed147 [0,1,0,0,0,1|1,0,0]=3 1147 B12R1.226 Cc1ccnc(n1)NCC(=O)O 7343a1e6999bf0df97eabc71a2daa13b [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.226 Cc1cncc(c1)NCC(=O)N 4e7c50a224789187deab4b87d59597ed [0,1,0,0,0,1|2,0,0]=4 1149 B12R1.226 Cc1cncc(c1)NCC(=O)O 28f5cbe1a58803871305ff32c55a486d [0,1,0,0,0,1|1,0,0]=3 1150 B12R1.226 Cc1cncc(c1)OCC(=O)N b97c3fe589c7c62edd1b427d190db85d [0,1,0,0,0,1|2,0,0]=4 1151 B12R1.226 Cc1cncc(c1)OCC(=O)O 7d49e97c3a786251fdef458543039d26 [0,1,0,0,0,1|1,0,0]=3 1152 B12R1.226 Cc1cncc(n1)NCC(=O)O 2d03624d211fe0246492df0834f9a476 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.226 Cc1cncc(n1)OCC(=O)O 3ebb5ade0c843fe34a7650724b5cff12 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.226 Cc1cnnc(c1)NCC(=O)O 89af15b58636308dc1097b99ca2712b1 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.226 Cc1nccc(n1)NCC(=O)O a05af2df4bda2b76ab7b2c40d4661917 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.226 Cc1nccc(n1)OCC(=O)O 1e461aba81431d8288223928aa78f5c5 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.226 NC(=O)CNc1cc(ccn1)Br 1396e0065d4cacaf794fb73201260621 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.226 NC(=O)CNc1cc(ccn1)Cl db064a7420d81360d91f5d593e5e0984 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.226 NC(=O)CNc1cc(ccn1)F 08581226450c5a39082c8a767e2a4e41 [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.226 NC(=O)CNc1cc(ccn1)I 28fdbb9e84725765eaebadb0524a678b [0,1,0,0,0,1|2,0,0]=4 1161 B12R1.226 NC(=O)CNc1cc(ccn1)O d82600fb1fb2e5421f950c4135407e95 [0,1,0,0,0,1|2,0,0]=4 1162 B12R1.226 NC(=O)CNc1cc[nH]c(=O)c1 f3cca42dbe9b56ebf431766498566784 [0,1,0,0,0,1|2,0,0]=4 1163 B12R1.226 NC(=O)CNc1cc[nH]c(=S)c1 b24a194e556107597c9e7b71946bea2e [0,1,0,0,0,1|2,0,0]=4 1164 B12R1.226 NC(=O)CNc1ccc[n+](c1)[O-] f3557150ecefc00383bcf7e1b0cebb51 [0,1,0,0,0,1|2,0,0]=4 1165 B12R1.226 NC(=O)CNc1cccc(=O)[nH]1 9ece6851329a90103da85be121a93dbf [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.226 NC(=O)CNc1cccc(c1)Br 1fa92b424710cdd32ccc83698af8a489 [0,1,0,0,0,1|1,0,0]=3 1167 B12R1.226 NC(=O)CNc1cccc(c1)Cl 633449aca68c61fa826063582607add2 [0,1,0,0,0,1|1,0,0]=3 1168 B12R1.226 NC(=O)CNc1cccc(c1)F f67b34e3787e3af63031ca2fd7178c98 [0,1,0,0,0,1|1,0,0]=3 1169 B12R1.226 NC(=O)CNc1cccc(c1)I ea87ac3617e67c565ed3800d927b1a87 [0,1,0,0,0,1|1,0,0]=3 1170 B12R1.226 NC(=O)CNc1cccc(c1)O c44a65702a6d036759281ac782dd5ede [0,1,0,0,0,1|1,0,0]=3 1171 B12R1.226 NC(=O)CNc1cccc(c1)S 5de91036b869d8c11981bfc0c41c2610 [0,1,0,0,0,1|1,0,0]=3 1172 B12R1.226 NC(=O)CNc1cccc(n1)Br 31a17b2dcb9983ad8b3283c9d455c3fc [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.226 NC(=O)CNc1cccc(n1)Cl 7961760647690cb02850da9e18455d7d [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.226 NC(=O)CNc1cccc(n1)F 86a76f5e86297f082dbb990cb67746bf [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.226 NC(=O)CNc1cccc(n1)I 7fb6242f1d1ac8263db231d8c481aa69 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.226 NC(=O)CNc1ccnc(c1)Br 1b4e29c3de43e3fd74b0ad8772f86009 [0,1,0,0,0,1|2,0,0]=4 1177 B12R1.226 NC(=O)CNc1ccnc(c1)Cl 4cfa8b6f9770ac74aa2e581853588e95 [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.226 NC(=O)CNc1ccnc(c1)F 8fc70066aea2845dd4fc646245355ff7 [0,1,0,0,0,1|2,0,0]=4 1179 B12R1.226 NC(=O)CNc1ccnc(c1)I 6d5759bc418d49606e119ccca02153ed [0,1,0,0,0,1|2,0,0]=4 1180 B12R1.226 NC(=O)CNc1cncc(c1)Br 0d4430d811d143dbbe821a8ba23c588d [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.226 NC(=O)CNc1cncc(c1)Cl 6622e8d2dc0f16c7675e99991fb51ee0 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.226 NC(=O)CNc1cncc(c1)F b92adbceef27dd4e75965b7e013ac9d4 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.226 NC(=O)CNc1cncc(c1)I b196eb3508bdad048b356d1e1cf84fb6 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.226 NC(=O)COc1cc(ccn1)Br f116b81a4e3ab39d0256b85f976e89c6 [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.226 NC(=O)COc1cc(ccn1)Cl ec8a48a9762aee9f344204c24fdda7ba [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.226 NC(=O)COc1cc(ccn1)F ee03a3abc533215343bce54fa6b23e35 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] cf93384d26108ec4dc3598155b93500a [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 0ef4d365347cb56ac0edf455a680f584 [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.226 NC(=O)COc1cccc(c1)Br d3bb55fc4691dbb8aaab47c250dbcd81 [0,1,0,0,0,1|1,0,0]=3 1190 B12R1.226 NC(=O)COc1cccc(c1)Cl 2cb1cc0bd79b93839dba923e4604e82c [0,1,0,0,0,1|1,0,0]=3 1191 B12R1.226 NC(=O)COc1cccc(c1)F e0813cb454b91f21072a6dbc28059baa [0,1,0,0,0,1|1,0,0]=3 1192 B12R1.226 NC(=O)COc1cccc(c1)I 9421084bb6ad63572f272ac89d98dd82 [0,1,0,0,0,1|1,0,0]=3 1193 B12R1.226 NC(=O)COc1cccc(c1)S 0f945b160963d4de58405c72e7e102b0 [0,1,0,0,0,1|1,0,0]=3 1194 B12R1.226 NC(=O)COc1cccc(n1)Br d29491c7983dc6e1cd2994d729ef3a43 [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.226 NC(=O)COc1cccc(n1)F 2431f4320cde3472bc571dc5d0637f95 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.226 NC(=O)COc1ccnc(c1)Br a3d39e91fcefbc35dc8d8483c019ab51 [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.226 NC(=O)COc1ccnc(c1)Cl 93e6e013d0076cd93a626dd71728f654 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.226 NC(=O)COc1ccnc(c1)F 1c99305a06b00426e26d28d3e72c96c7 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.226 NC(=O)COc1cncc(c1)Br b9ca3192f36b85d2c64378ca73ec2461 [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.226 NC(=O)COc1cncc(c1)Cl 179e7176fb0bc6663ac0f45fd34d3cf1 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.226 NC(=O)COc1cncc(c1)F 2943b6b6203e3284770fc125e9619226 [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.226 NC(=O)COc1cncc(c1)I 4b63caf17ac6e2db50862002a665b174 [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.226 O=C(O)CNc1cc(ccn1)Br 529ec9161610f756b394a870b64a80d6 [0,1,0,0,0,1|1,0,0]=3 1204 B12R1.226 O=C(O)CNc1cc(ccn1)Cl 4bbd91be8cd652cb7f62484596f0876c [0,1,0,0,0,1|1,0,0]=3 1205 B12R1.226 O=C(O)CNc1cc(ccn1)F 9be2e87d5846d789a89f486e9f74c922 [0,1,0,0,0,1|1,0,0]=3 1206 B12R1.226 O=C(O)CNc1cc(ccn1)I 49c704fcd5c923b86552ea09df5776ab [0,1,0,0,0,1|1,0,0]=3 1207 B12R1.226 O=C(O)CNc1cc(cnn1)Br 40603c7ce54ca261cabb344df6c0439d [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.226 O=C(O)CNc1cc(cnn1)Cl 9c30e36d3ecfeea1ef87c62353dabbf6 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.226 O=C(O)CNc1cc(ncn1)Br c35bde34966d9454fa6a7b791560e9cf [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.226 O=C(O)CNc1cc(ncn1)Cl 2b0fa6223df6940bc362e4f10d24712e [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.226 O=C(O)CNc1cc(ncn1)F 2f8badc13715949d8aca7b77c80c7fe6 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.226 O=C(O)CNc1cc(ncn1)I 45daf00a329f1e143dd3031cb467f433 [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.226 O=C(O)CNc1cc[nH]c(=O)n1 5a028f9f2303a2e3b60990c8a8255b7e [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.226 O=C(O)CNc1cc[nH]c(=S)c1 7a90ca8bd26c4bce26789d3b9b4e3dde [0,1,0,0,0,1|1,0,0]=3 1215 B12R1.226 O=C(O)CNc1cccc(c1)Br 9278e11a40bd0c998d6708a7d8d19cec [0,1,0,0,0,1|0,0,0]=2 1216 B12R1.226 O=C(O)CNc1cccc(c1)Cl 8c61f8028006442c9d2649d1f957fd7d [0,1,0,0,0,1|0,0,0]=2 1217 B12R1.226 O=C(O)CNc1cccc(c1)F b6b54d04a07f3216d0a04238f5fba3c1 [0,1,0,0,0,1|0,0,0]=2 1218 B12R1.226 O=C(O)CNc1cccc(c1)I 3367bac10174c84517b534b631544e4f [0,1,0,0,0,1|0,0,0]=2 1219 B12R1.226 O=C(O)CNc1cccc(c1)S fc8191f1550f855ffd0b67405c376481 [0,1,0,0,0,1|0,0,0]=2 1220 B12R1.226 O=C(O)CNc1cccc(n1)Br ff5861b8b56d3be4bec0007ec2b43536 [0,1,0,0,0,1|1,0,0]=3 1221 B12R1.226 O=C(O)CNc1cccc(n1)Cl 861d071b89856b9cbad25c42e4f89008 [0,1,0,0,0,1|1,0,0]=3 1222 B12R1.226 O=C(O)CNc1cccc(n1)F 6641619ac8c83705994f4c60a24b50e3 [0,1,0,0,0,1|1,0,0]=3 1223 B12R1.226 O=C(O)CNc1cccc(n1)I 8a44af13721fc8fdfa1eb00836718316 [0,1,0,0,0,1|1,0,0]=3 1224 B12R1.226 O=C(O)CNc1ccnc(c1)Br 92dcd1a8ea78bd8a2e9c20c9511012e7 [0,1,0,0,0,1|1,0,0]=3 1225 B12R1.226 O=C(O)CNc1ccnc(c1)Cl dc662f786364b85b0207aae243f79383 [0,1,0,0,0,1|1,0,0]=3 1226 B12R1.226 O=C(O)CNc1ccnc(c1)F 5915d28589c8f9541dc8eada14dd3f72 [0,1,0,0,0,1|1,0,0]=3 1227 B12R1.226 O=C(O)CNc1ccnc(c1)I 6a6b1e654f178ceda7d3e424bece619e [0,1,0,0,0,1|1,0,0]=3 1228 B12R1.226 O=C(O)CNc1ccnc(n1)Br c92e81180846717ea941e10cd705c0be [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.226 O=C(O)CNc1ccnc(n1)Cl b1023da37c7b84761df7b126ef4e543c [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.226 O=C(O)CNc1ccnc(n1)F 3f413803acd5caefb75e77dd5e0d9a5a [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.226 O=C(O)CNc1ccnc(n1)S 1f56e602bec68562ebcad32e8165a4e5 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.226 O=C(O)CNc1cn[nH]c(=O)c1 6ac8977927a523de8f8df9d84c2187ef [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.226 O=C(O)CNc1cncc(c1)Br 23b8c25fc8dbab8e472a92af74696a93 [0,1,0,0,0,1|1,0,0]=3 1234 B12R1.226 O=C(O)CNc1cncc(c1)Cl b4fc4f5b9274fcc23d6a55519eba83fd [0,1,0,0,0,1|1,0,0]=3 1235 B12R1.226 O=C(O)CNc1cncc(c1)F 23d68033e9bd833be5ae67ebc57c8f8b [0,1,0,0,0,1|1,0,0]=3 1236 B12R1.226 O=C(O)CNc1cncc(c1)I bfa296daaf9202ff29934ffc20669449 [0,1,0,0,0,1|1,0,0]=3 1237 B12R1.226 O=C(O)CNc1cncc(n1)Br 0ad532744569d120856fbb32fed36170 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.226 O=C(O)CNc1cncc(n1)Cl 279b99a75cf6f18d7d3230c6ad727c0c [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.226 O=C(O)CNc1cncc(n1)F 9c1dbb1d884b945164024a5723f70683 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.226 O=C(O)CNc1cnnc(c1)Cl 28a00650c19454a6cfa97e36eef4fd2e [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.226 O=C(O)CNc1cnnc(c1)F 6f25f64b2987a9a9f3e5ade793fa418f [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.226 O=C(O)CNc1nccc(=O)[nH]1 85776bb56437f277bec0640fa31c35b9 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.226 O=C(O)CNc1nccc(n1)Br de2eb57db35632a5e675e865db061995 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.226 O=C(O)CNc1nccc(n1)Cl 0658cada924a24255fab3086286a4a3f [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.226 O=C(O)CNc1nccc(n1)F 553434d2ce3a8350856259fa509343c8 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.226 O=C(O)CNc1nccc(n1)I d6067665113927c8dab8c137ce52bb29 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.226 O=C(O)CNc1nccc(n1)S 8747c9d034ac6af270b4acd1adf53217 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.226 O=C(O)COc1cc(ccn1)Br c56ab46460d9c5c74ab4957c5f0c3015 [0,1,0,0,0,1|1,0,0]=3 1249 B12R1.226 O=C(O)COc1cc(ccn1)Cl 51efa62c871d4b0ffe36590068602f3f [0,1,0,0,0,1|1,0,0]=3 1250 B12R1.226 O=C(O)COc1cc(ccn1)F 5dfa9dde65f0079e43fefddfc3727d8b [0,1,0,0,0,1|1,0,0]=3 1251 B12R1.226 O=C(O)COc1cc(ncn1)Br 44c9854d886b32e32584ec0ff5afa65a [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.226 O=C(O)COc1cc(ncn1)Cl 18d6b48b9246d72bc2e4569e44da84bd [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.226 O=C(O)COc1ccc[n+](c1)[O-] 876c34db6e863bb32b38e626b9bc519f [0,1,0,0,0,1|1,0,0]=3 1254 B12R1.226 O=C(O)COc1cccc(=O)[nH]1 8b1488c335068baca54bf338f0eaa76a [0,1,0,0,0,1|1,0,0]=3 1255 B12R1.226 O=C(O)COc1cccc(c1)Br e18aee2a75703ec32ea93890efc3e7f5 [0,1,0,0,0,1|0,0,0]=2 1256 B12R1.226 O=C(O)COc1cccc(c1)Cl 4a28b0a0b2d269e23d85b0a61be6911d [0,1,0,0,0,1|0,0,0]=2 1257 B12R1.226 O=C(O)COc1cccc(c1)F cb013db402aed90397054cf12c2b0390 [0,1,0,0,0,1|0,0,0]=2 1258 B12R1.226 O=C(O)COc1cccc(c1)I 804ac6165bd2b28fc1b6fc8e01f174fa [0,1,0,0,0,1|0,0,0]=2 1259 B12R1.226 O=C(O)COc1cccc(c1)S bd8deb7f8bafa7f0f3024aeb5dcbddd5 [0,1,0,0,0,1|0,0,0]=2 1260 B12R1.226 O=C(O)COc1cccc(n1)Br 1c793cdd58262688c6a6a0710c6851cb [0,1,0,0,0,1|1,0,0]=3 1261 B12R1.226 O=C(O)COc1cccc(n1)F b4af126648a921165e91d947825b968c [0,1,0,0,0,1|1,0,0]=3 1262 B12R1.226 O=C(O)COc1ccnc(c1)Br d03b661fe84e928d6522e4beaa1c7be0 [0,1,0,0,0,1|1,0,0]=3 1263 B12R1.226 O=C(O)COc1ccnc(c1)Cl e25126a382373a4ea7b6bf0d809f3efd [0,1,0,0,0,1|1,0,0]=3 1264 B12R1.226 O=C(O)COc1ccnc(c1)F 671bb0627f9364baa9bdcad07c9eea3f [0,1,0,0,0,1|1,0,0]=3 1265 B12R1.226 O=C(O)COc1ccnc(n1)Cl a595b3cd494555b3ad89dab234c74ff3 [0,1,0,0,0,1|2,0,0]=4 1266 B12R1.226 O=C(O)COc1cncc(c1)Cl cb19eb1a75b0b303ba641533b09c1560 [0,1,0,0,0,1|1,0,0]=3 1267 B12R1.226 O=C(O)COc1cncc(c1)F 48c51c334abb0e8b6f489185707988e3 [0,1,0,0,0,1|1,0,0]=3 1268 B12R1.226 O=C(O)COc1cncc(c1)I 0eaca838c2b3bba2e01dbd3814f49cf2 [0,1,0,0,0,1|1,0,0]=3 1269 B12R1.226 O=C(O)COc1cncc(n1)Br 38eb61f1f66c1f4c008a801fe1b5ed33 [0,1,0,0,0,1|2,0,0]=4 1270 B12R1.226 O=C(O)COc1cncc(n1)Cl f968753b7d2195097b0d1e5b27785e5f [0,1,0,0,0,1|2,0,0]=4 1271 B12R1.226 O=C(O)COc1cnnc(c1)Cl 8a6e0d2e45428c4ef6fb3bcdfa6e2afa [0,1,0,0,0,1|2,0,0]=4 1272 B12R1.226 O=C(O)COc1nccc(n1)Cl ddb03c0a060dece52b138a7b3e181cc1 [0,1,0,0,0,1|2,0,0]=4 1273 B12R1.226 O=C(O)COc1nccc(n1)S 959388667a2543a257ae70fdee4a3b33 [0,1,0,0,0,1|2,0,0]=4 1274 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Br ebdd9c1792c76b47300e54918a03446d [0,1,0,0,0,1|1,0,1]=4 1275 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Cl db995e6066c348baed0adc8759622d6d [0,1,0,0,0,1|1,0,1]=4 1276 B12R1.226 O=[N+]([O-])CNc1cccc(c1)F 5fd83dbd3484e341d48ac07f8b9ab81f [0,1,0,0,0,1|1,0,1]=4 1277 B12R1.226 O=[N+]([O-])CNc1cccc(c1)I 73ac7ce6e1bbdc6464f908db0f9a46aa [0,1,0,0,0,1|1,0,1]=4 1278 B12R1.226 O=[N+]([O-])CNc1cccc(c1)S 5fa85a9acc4c563fc048882e189a07f8 [0,1,0,0,0,1|1,0,1]=4 1279 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br bb3083ad2cc2661b3630dd8e95ab8d55 [0,1,0,0,0,1|1,0,1]=4 1280 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl d82c472c2eb96d4269a69737a8db2af4 [0,1,0,0,0,1|1,0,1]=4 1281 B12R1.226 O=[N+]([O-])COc1cccc(c1)F d5594cad835acafa7fc42b2a9d4f5010 [0,1,0,0,0,1|1,0,1]=4 1282 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 2a4dcd18df6122c61212d6a7bcbd3f60 [0,1,0,0,0,1|1,0,1]=4 1283 B12R1.226 O=[N+]([O-])COc1cccc(c1)S 012a9fec8ce1c107637e3edea8f11999 [0,1,0,0,0,1|1,0,1]=4 1284 B12R1.891 CC(C)(O)CNc1ccccc1 f100447f9f947bdcf8b3cb6f09283ae4 [0,1,0,0,0,1|1,0,1]=4 1285 B12R1.891 CS(=O)(=O)CNc1ccccc1 b140962be5bd942e91165cc653df790b [0,1,0,0,0,1|1,0,1]=4 1286 B12R1.891 O=S(=O)(O)CNc1ccccc1 6677b656bffd58623a47a06fa430ba01 [0,1,0,0,0,1|1,0,0]=3 1287 B12R1.891 O=S(=O)(O)CNc1ccccn1 dc9b629553fd2f1f814a877dd1ceda46 [0,1,0,0,0,1|2,0,0]=4 1288 B12R1.891 O=S(=O)(O)CNc1cccnc1 24e26e18e51bcce99011206d3803470e [0,1,0,0,0,1|2,0,0]=4 1289 B12R1.891 O=S(=O)(O)CNc1ccncc1 7a6da00f39eec1cf31d084b881a9636b [0,1,0,0,0,1|2,0,0]=4 1290 B12R1.210 CC(=O)Nc1cccccc1=O 8398c140d91b80392bded3fa22dfbfab [0,1,0,0,0,1|2,0,0]=4 1291 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 463453bc22804ab9566c3891bab41767 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 380a53a81d93fd211cb75b86b1064f57 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.4 CC(=O)Nc1ccc(cc1)C=O 2018ba8cd05dd8ce26ca61fb61d10b19 [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.4 CC(=O)Nc1ccc(cc1)CO 64a0fcf83ab5804ecc6b06daa915b61a [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.4 CCc1ccc(cc1)NC(=O)C fd4fbb7789d8d26e77cb294ee4075791 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.4 COc1ccc(cc1)NC(=O)C 61833518ec9f67d30125afaa9c6d53b4 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.4 CSc1ccc(cc1)NC(=O)C d9e42278a7f385aaf073985d52a28c35 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 86f20b792aad100bfd286ed2d5252ae6 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 7ee0d2dd2caa0515721d628874a5eba8 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O bdf455de7f67f140e539b2a142a95050 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F b713227e57e5e0503b823eb923ba0bb5 [0,2,0,0,0,0|2,0,0]=4 1302 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I ed7a90185e2681cd802ad566e9d181d0 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 077b9fef8ae29c7d9e54117a0c9ba5b0 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 27fccb6a0a453f560891cad39d1c2e32 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F a02ebd1b1ff575c5cb5c287a1cb034b6 [0,2,0,0,0,0|2,0,0]=4 1306 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 8348abe71ed8b00c39a42ad756a31a70 [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 8de04df611312cd3db337fdb037522c8 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 95d09872727ecac138e510aecae92433 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 9cefd6ca8bedf7d6cd1c0d523b7fd2f5 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F ee7d621fa2b39c3d2264714bf88246f5 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O e86cd223d163889dbab241f77f4fc543 [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C ed3b3ae7fb032b9e27879eb4fba48feb [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F bde12d182329f10baf81e8a06f263003 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 7aba9e2634fc6f8640c1b7b925c89ee4 [0,2,0,0,0,0|2,0,0]=4 1315 B12R1.20 CC(=O)N(C)c1ccc(cc1)C bcc16cd28e7607a6ed49651a98525a59 [0,2,0,0,0,0|2,0,0]=4 1316 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 4527b0d13f503bbb045589a99edc841a [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 37d34db01fbe3b47709ae105489b99d9 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.20 CC(=O)N(C)c1ccc(cc1)S 2ad77fe8a37a5fd09eac6ab3959987a9 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.49 C#CC(=O)Nc1ccc(cc1)C ace77eb590c7a9e38589e3663e368373 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.49 C#CC(=O)Nc1ccc(cc1)F 9ff37543b1e255de7bc1a5bea6369b0c [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.49 C#CC(=O)Nc1ccc(cc1)I a513f84544e8c665d559733003b7b511 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.49 C#CC(=O)Nc1ccc(cc1)O 2919883b2a2b3f4cd41342ad4259b466 [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.49 C#CC(=O)Nc1ccc(cc1)S 782ce90740b106c0d6e3248ef3a27009 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 6cecec7955feef2076bf8351c0460270 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 2bb9c415f93b91b1fc81d811241ce339 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 52f6038791beadcf2443ea721c275a78 [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 705a7bd65ef53db87c3ccc3667181fd2 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 33b107a2733fcd228990a0271285ccb8 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 4e8fbb1ed030dd9d83f4fcdb7e73d74f [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.49 C=CC(=O)Nc1ccc(cc1)S aee5e347f86bd4454672bdd2818d9731 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.49 CCC(=O)Nc1ccc(cc1)C 79f85c340b8d9f58b49d7b6f9a8dfc11 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.49 CCC(=O)Nc1ccc(cc1)F 83296be78013d22bde288706294cc3c2 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.49 CCC(=O)Nc1ccc(cc1)I ea4449478b305bcdf4993b64150ff83b [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.49 CCC(=O)Nc1ccc(cc1)S 16412742e86774c316b42ab9bc2f75dc [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.49 CN(C=O)Cc1ccc(cc1)Br 87bc57820184054248c482743af343a7 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.49 CN(C=O)Cc1ccc(cc1)Cl 40d69582b1cb881b7a2339c72a44ee76 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.49 CN(C=O)Cc1ccc(cc1)F 0aaf62dd7593e1c678dee63efb35b992 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.49 CN(C=O)Cc1ccc(cc1)I 43c32b38de3611d81fb79371beaa68a2 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.49 CN(C=O)Cc1ccc(cc1)O 80e222d89d86f57d15087977ffec02ba [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.49 CN(CO)Cc1ccc(cc1)Br 5e55a925cd3dce7e6241436ae8c54919 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.49 CN(CO)Cc1ccc(cc1)Cl dab1af0d42fcee1a60d38378d8e8efce [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.49 CN(CO)Cc1ccc(cc1)F 7fd3b80fbdb09310d5fe39719fff8ba6 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.49 CN(CO)Cc1ccc(cc1)I 586b1a870616a315f891e0fa55e04ab9 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.49 Cc1ccc(cc1)CN(C)C=O 2354ea15dc06b068271ea5e5ab22956c [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.49 Cc1ccc(cc1)CN(C)CO ed474c07bd59a560c88e17955d9c9bb2 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.49 Cc1ccc(cc1)NC(=O)C=O 8b3e573e7a74e87e746c2bc81ca07e70 [0,2,0,0,0,0|1,0,1]=4 1347 B12R1.49 Cc1ccc(nc1)NC(=O)CO ec46040fa59e290e8401962704687684 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.49 O=C(CF)Nc1ccc(cc1)S ffd007f6d429c4cc01bc35a0a9bc0c4b [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.49 O=C(CO)Nc1ccc(cc1)S 1f7438a0d638af8df2912f2825545a62 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.49 O=C(CO)Nc1ccc(cn1)F c6568bc6aebb2926a763957a15421a19 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.49 O=C(CO)Nc1ccc(cn1)I 4f93db6f85dfa0fce5ea3b5f67b5b2f7 [0,2,0,0,0,0|2,0,0]=4 1352 B12R1.49 O=C(CO)Nc1ccc(cn1)O 45f150174cd35a219a878d50a9e61546 [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.49 O=C(CS)Nc1ccc(cc1)S dd44512130a111ab4104d09216220ff1 [0,2,0,0,0,0|1,1,0]=4 1354 B12R1.49 O=CC(=O)Nc1ccc(cc1)Br fc5a95154d25e5b30033e4955486052d [0,2,0,0,0,0|1,0,1]=4 1355 B12R1.49 O=CC(=O)Nc1ccc(cc1)Cl 681dbcba30adac27f90acb5611705f13 [0,2,0,0,0,0|1,0,1]=4 1356 B12R1.49 O=CC(=O)Nc1ccc(cc1)F 52ce11eaba00fcec9a2f58fdbba6fe7e [0,2,0,0,0,0|1,0,1]=4 1357 B12R1.49 O=CC(=O)Nc1ccc(cc1)I 3baa48a55426055740ecacff89a9f6a4 [0,2,0,0,0,0|1,0,1]=4 1358 B12R1.49 O=CC(=O)Nc1ccc(cc1)O 0ba7f76c16b99887af7eca1898068955 [0,2,0,0,0,0|1,0,1]=4 1359 B12R1.49 O=CC(=O)Nc1ccc(cc1)S 4c0e76f97aa43d9cd9065d3d4295f4e7 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.233 CC(=O)Nc1ccc(cc1C)F 6effe6c419b171abe99cda77f2e5dcc3 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F df6d526ffb5fb4a5d963d500771b83ea [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.233 CC(=O)Nc1ccc(cc1F)F b65ab25455e69a169f5b136cadbac268 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.233 CC(=O)Nc1ccc(cc1F)I e6d495e70c9b1db8af502f1604a636d8 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.233 CC(=O)Nc1ccc(cc1F)O fbdfb9966ab874f8489dc3a00afeec1a [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.233 CC(=O)Nc1ccc(cc1F)S fb7fc80c99059cbd4f220141efcbd512 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.233 CC(=O)Nc1ccc(cc1I)C d15805688d47027a3020102488ee9d04 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.233 CC(=O)Nc1ccc(cc1I)F b2288b80288d1d1aa5c111501da24ffe [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.233 CC(=O)Nc1ccc(cc1I)I 62dec27db7d9a3d544935c827efb7be8 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.233 CC(=O)Nc1ccc(cc1I)O 7c3187e966eb6eb57d814841260e91e7 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.233 CC(=O)Nc1ccc(cc1O)F 20f59f27d52b6aa50576a8b1d1658c96 [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.233 CC(=O)Nc1ccc(cc1S)F 0e3667b2448731b7fb6079c37209a1b7 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.34 C=CC(=O)N(C)c1ccccc1 8baca86d71e1f07fdf4903690f6dba66 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.34 CC(c1ccccc1)N(C)C=O e079bef7522e1ef5cc00bc8636c131a1 [0,2,0,0,0,0|2,0,0]=4 1374 B12R1.34 CN(C(=O)C=O)c1ccccc1 1d97c61cccaaa710ce75e3fe903e984c [0,2,0,0,0,0|1,0,1]=4 1375 B12R1.34 CN(C(=O)CO)c1ccccc1 92a87ead36fd016ea91f9e7ab45bfb02 [0,2,0,0,0,0|1,0,0]=3 1376 B12R1.34 CN(C(=O)CO)c1ccccn1 8b4a2dd5e8554482bc6254c6d3d8d730 [0,2,0,0,0,0|2,0,0]=4 1377 B12R1.34 CN(C(=O)CO)c1cccnc1 9f96821c40aba7b582bd14ed2ac62368 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.34 CN(C(=O)CO)c1ccncc1 80fae65b70474e469429eb2db4ef7e39 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O 43f258a4426e518211b56116828aebcd [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.34 C[C@H](c1ccccc1)N(C)C=O aead6dfaf118bd90be7abe9a0f430aad [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.124 CC(=O)N(C)c1ccccc1C dfb7d842cace5ab71c1c02ce9fdfdfa9 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.124 CC(=O)N(C)c1ccccc1Cl 8bfa575054bce485f7a6a7adf6803bda [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.124 CC(=O)N(C)c1ccccc1F cc0ada72302170b4c32878f29081bae9 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.124 CC(=O)N(C)c1ccccc1O 39c38263e4fc85e1027f287a26a8bd39 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 64794c11f4bcff23ac7fdeabc1b6598e [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.225 CC(=O)N(C)c1cccc(c1)C 25e03f335071a4176e7ef8eb1a8a6f73 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 8454b9cdc79f9e939cfc5ab746b2ea7e [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.225 CC(=O)N(C)c1cccc(c1)F 01f2a6a014d460bc794c1e1448e898ac [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.225 CC(=O)N(C)c1cccc(c1)I 50dec21c842a8245edd9079a1314da5c [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.225 CC(=O)N(C)c1cccc(c1)O b62a2062012b8a05a602a75783662fb9 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.32 C/C=C/C(=O)Nc1ccccc1 b9c2b2bab8539dcad71e0f1bcc0d5a7b [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.32 C=CCC(=O)Nc1ccccc1 451f938fb966a6692f9501119d2a34ad [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,2,0,0,0,0|1,0,1]=4 1394 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,2,0,0,0,0|1,0,1]=4 1395 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,2,0,0,0,0|1,0,1]=4 1396 B12R1.32 CN(CC=O)Cc1ccccc1 7580b9a13b83ef7e7f2ffe8dfb9a649a [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.32 CN(CCO)Cc1ccccc1 757bf36fdf4b02517da3241e86467be6 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.32 COCC(=O)Nc1ccccn1 f9e6fd9fc57ce0d213e8a8a98f19e960 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.32 COCC(=O)Nc1cccnc1 e27fb687fb4d23b787105034a2444ccc [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.32 COCN(C)Cc1ccccc1 4d05c3d6ddf3ecec9a6b681c1068023b [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.32 N#CNC(=O)Cc1ccccn1 443282b08fa4aef38355f1f513029300 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.32 N#CNC(=O)Cc1cccnc1 6c7df58fa8a83d8acc74a228c27c0e6b [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.32 N#CNC(=O)Cc1ccncc1 1fbad31d36a5a2e4482c77173a2f72e6 [0,2,0,0,0,0|2,0,0]=4 1404 B12R1.32 NOCC(=O)Nc1ccccc1 c5d51d2b3f28976c6bd3c98cfe9f6a86 [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.32 NOCC(=O)Nc1ccccn1 01f8c142c35f9636d74e17b18eab065b [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.32 NOCC(=O)Nc1cccnc1 78afae84b30aabff037f46dfac5317d6 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.32 NOCC(=O)Nc1ccncc1 32338b5a8a69b9472976dea4ef308a23 [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.32 O=C(/C=C/Br)Nc1ccccc1 92c7f3d57436960f176d052986c2a2e2 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.32 O=C(/C=C/Cl)Nc1ccccc1 bb0b9b3a88b304515fa8c526107c3625 [0,2,0,0,0,0|2,0,0]=4 1410 B12R1.32 O=C(/C=C/I)Nc1ccccc1 d8a8f97dca4abb25514c9a055253e119 [0,2,0,0,0,0|2,0,0]=4 1411 B12R1.32 O=C(/C=C\Br)Nc1ccccc1 776fd333f2d22c19068e01efe5b83c76 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.32 O=C(/C=C\Cl)Nc1ccccc1 c480f1890f14db221e610fb49af268bb [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.32 O=C(/C=C\I)Nc1ccccc1 71a6abfd35167f20eb1ed55ba75c05dd [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.32 O=C(C=CBr)Nc1ccccc1 626328bc468ff4a17ca9ef770e654be0 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.32 O=C(C=CI)Nc1ccccc1 5d838b813492e319cee62c8bc51cf296 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.32 O=C(CCO)Nc1ccccn1 21dc9f5a4df84121109c1b09cc607124 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.32 O=C(CCO)Nc1cccnc1 99259424f2fd7eed4113ee6e569a0bc6 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.32 O=CCC(=O)Nc1ccccc1 82edb9a4ff8811bb5cbe33bf24448e1c [0,2,0,0,0,0|1,0,1]=4 1419 B12R1.50 C#CC(=O)Nc1cccc(c1)C 990cde613fc44142fd3c262287a1d5fb [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.50 C#CC(=O)Nc1cccc(c1)F e07d278a8b9f81e88644dae8c3eca570 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.50 C#CC(=O)Nc1cccc(c1)I 46953a16818597d9de6703dfae8e21dc [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.50 C#CC(=O)Nc1cccc(c1)O 9f8a391acf2759b94c22fb050a667109 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.50 C=CC(=O)Nc1cccc(c1)Br ae7d338e2314c4ff20be4f2d3adaaf4c [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.50 C=CC(=O)Nc1cccc(c1)C d548557b52a2efa30bffb47407de5415 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 40b33d2eaa3c4b0314b4d7740643bcdb [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.50 C=CC(=O)Nc1cccc(c1)F 9a1061206f885ff17b5dc379c028a769 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.50 C=CC(=O)Nc1cccc(c1)I f5b91dcb8db600717056b8fbd7908800 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.50 C=CC(=O)Nc1cccc(c1)O d9903fc4cc32bb7c205c89ad1773e260 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.50 C=CC(=O)Nc1cccc(c1)S 0c45d1da054c5005e04c5adcecedaf9c [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.50 CCC(=O)Nc1cccc(c1)C 2737599ddde5d8177973ef2c3a29d8a7 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.50 CCC(=O)Nc1cccc(c1)F b1eed650df5e4ef8132194c2d238c576 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.50 CCC(=O)Nc1cccc(c1)I 1adeed8de106dd6458bcd0d4c0edd210 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.50 CN(C=O)Cc1cccc(c1)Br 21c9904b6931c694f1576efcd4d1d0e7 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.50 CN(C=O)Cc1cccc(c1)Cl debbcedb339572221fdba68971be3703 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.50 CN(C=O)Cc1cccc(c1)F 1b625a2b8b477568670768dc96d54b2a [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.50 CN(C=O)Cc1cccc(c1)I f5eb352e75a1740e74adf6e70b18f3a6 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.50 CN(C=O)Cc1cccc(c1)O f88c2fadc3fc25b3f5d4cb7cb0a5788a [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.50 CN(CO)Cc1cccc(c1)Br 598209607c72aa6d8108b132f4b46d7e [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.50 CN(CO)Cc1cccc(c1)Cl 2945da4e469cee97956e9210dfcdfe64 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.50 CN(CO)Cc1cccc(c1)F 6a7f560609911b9b7b05731cdc2a168a [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.50 CN(CO)Cc1cccc(c1)I f120238df6abba66af1a68aaee18110e [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.50 Cc1cccc(c1)CN(C)C=O 7f4e2f766af9fb32c89907782640d642 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.50 Cc1cccc(c1)CN(C)CO 9ce835e7a7f8a76d68ac785fdcc22b43 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.50 Cc1cccc(c1)NC(=O)C=O 04381f8f7ac23bd03987503a439afe38 [0,2,0,0,0,0|1,0,1]=4 1445 B12R1.50 O=C(CF)Nc1cccc(c1)I 25ec579d5e70890d6761642879a84416 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.50 O=C(CO)Nc1cc(ccn1)O cf88d3c0f856276710665b76a7840468 [0,2,0,0,0,0|2,0,0]=4 1447 B12R1.50 O=C(CO)Nc1cccc(c1)I b9f53ca927845b9cf845279d5be47e9f [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.50 O=C(CO)Nc1cccc(n1)F 8d18f1b6cb838fa0e571dd6b83890729 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.50 O=C(CO)Nc1cccc(n1)I 96a4f685ab4f8f2ba291adfe53575eb6 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.50 O=C(CO)Nc1ccnc(c1)F b6fa9c83c8099c8c516ae349d621eb9a [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.50 O=C(CO)Nc1cncc(c1)F 25e57b8e94fb4cc95f8b6331732446a5 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.50 O=CC(=O)Nc1cccc(c1)Br 0b4d429061eefcff1344b8d5ae8afff5 [0,2,0,0,0,0|1,0,1]=4 1453 B12R1.50 O=CC(=O)Nc1cccc(c1)Cl 63429975e665bf674ac66611a432dda3 [0,2,0,0,0,0|1,0,1]=4 1454 B12R1.50 O=CC(=O)Nc1cccc(c1)F 9d11cf99004061f4a772307f1c1aff3e [0,2,0,0,0,0|1,0,1]=4 1455 B12R1.50 O=CC(=O)Nc1cccc(c1)I 4b62538f6251945ca73e3de6c44c610f [0,2,0,0,0,0|1,0,1]=4 1456 B12R1.50 O=CC(=O)Nc1cccc(c1)O 9b1fdea8e7c547705fd265adf6658af8 [0,2,0,0,0,0|1,0,1]=4 1457 B12R1.50 O=CC(=O)Nc1cccc(c1)S 31c8e468e4a29d9e0cb8e8f730db1296 [0,2,0,0,0,0|1,0,1]=4 1458 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.371 C#CC(=O)Nc1ccccc1C b91e1644d00756e8c1337eeb17cc24a5 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.371 C#CC(=O)Nc1ccccc1Cl c78207947dbfada5444a12a69195c94b [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.371 C#CC(=O)Nc1ccccc1F b10c26f7c2a087670a84457a879ff228 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.371 C#CC(=O)Nc1ccccc1I 2f041279ada685fe17d26ce867ab665d [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.371 C#CC(=O)Nc1ccccc1O 2b944ad132dd387d3a4eaba76c3e95c3 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.371 C#CC(=O)Nc1ccccc1S f9887ccb9996be282cea93caa62b7b21 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.371 C=CC(=O)Nc1ccccc1Br e5d1f40bbb3972cd234b3d1559f149fb [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.371 C=CC(=O)Nc1ccccc1C acb3e10026991d61c64ba4069b9746f5 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.371 C=CC(=O)Nc1ccccc1Cl 4977f0e6a6edb54dfe74c87f87185b5c [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.371 C=CC(=O)Nc1ccccc1F dbb2194c0b6b7ae61906b5bef156a80b [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.371 C=CC(=O)Nc1ccccc1I 1d2658ab33296a9656a08882644409fe [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.371 C=CC(=O)Nc1ccccc1O 9447ec7b0f9e158ab19bcffe70be1362 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.371 C=CC(=O)Nc1ccccc1S 2b5292e4efc934dbb57e5219724c1b78 [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.371 CCC(=O)Nc1ccccc1Br 768a716ead2b99051a9616fb85a27937 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.371 CCC(=O)Nc1ccccc1C 763387b0d89cfb82380d583a59f5a861 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.371 CCC(=O)Nc1ccccc1Cl ef4576d4235b2be875b9c3bf387d3b96 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.371 CCC(=O)Nc1ccccc1F faf1e60044081b206d26fc7146a1b9c6 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.371 CCC(=O)Nc1ccccc1I 6553c7d43a126e629b0ccc3f1bd07b65 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.371 CCC(=O)Nc1ccccc1O 6ec8129c7301f0a0a7cf43011d0730d5 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.371 CCC(=O)Nc1ccccc1S 8fc39cf448fefd509c3c8b231a29d58a [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.371 CN(C=O)Cc1ccccc1Br fce06f44c0a8114423bb592e8977b725 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.371 CN(C=O)Cc1ccccc1Cl 5f79a5b463b6988462e76493c819511b [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.371 CN(C=O)Cc1ccccc1F 84e3bd6e57f24292fb928fdd134fd8d0 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.371 CN(C=O)Cc1ccccc1I 0c1319250cdd83468ecf824c7f18eb33 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.371 CN(C=O)Cc1ccccc1O 75c071aa833598288dd17cfc9ef4f351 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.371 CN(CO)Cc1ccccc1Br 9ac13c39fec83267043e3355bc9d3c6e [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.371 CN(CO)Cc1ccccc1Cl 2fb26837977d5eacf5cb47738766ffa1 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.371 CN(CO)Cc1ccccc1F 661f3a9dbe61fe63a175ae38e8094802 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.371 CN(CO)Cc1ccccc1I fd2e6b3f5dd3915c1a3ff85b0c15f004 [0,2,0,0,0,0|2,0,0]=4 1488 B12R1.371 Cc1ccccc1CN(C)C=O 0394ec56e0ef1366f6eee7aa2505f162 [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.371 Cc1ccccc1CN(C)CO 63199def7303a7d9eb3beb52a0338d30 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.371 Cc1ccccc1NC(=O)C=O c48e8fd2ba5e58f34d83735c8fa1debf [0,2,0,0,0,0|1,0,1]=4 1491 B12R1.371 Cc1ccccc1NC(=O)CO 8d990dc3b3796a0c64c8b86b8490eb78 [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.371 Cc1cccnc1NC(=O)CO 9f0e73880496a27c497575d15feae6f9 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.371 Cc1ncccc1NC(=O)CO f376b201fa4db526c9bf49e8e0718d7a [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.371 O=C(CF)Nc1ccccc1F 2343ed0f0efb551eb96b6eb74ee1c5ec [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.371 O=C(CF)Nc1ccccc1I 91e304ac9ca5a0491b0a3dc3a0a5ef4e [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.371 O=C(CF)Nc1ccccc1O 9f0a34d95f343e3a8433cd838540d60c [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.371 O=C(CF)Nc1ccccc1S e27a27679988121b48c3f3c5bfc51b98 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.371 O=C(CO)Nc1ccccc1F d20a35cb403e68671e72a0dd460c0485 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.371 O=C(CO)Nc1ccccc1I 209ecbfb2e84cc7bc62f1762ecc4331e [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.371 O=C(CO)Nc1ccccc1O e8a188e3771eae8a4a1eca1b4e42b466 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.371 O=C(CO)Nc1ccccc1S e3384ae87fb80eb0958c847fa331a653 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.371 O=C(CO)Nc1cccnc1F cc5896d7dfd03feb0b0911d7465e0efc [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.371 O=C(CO)Nc1cccnc1I d27969d8c6f1d29d5c2e95fb71c649bb [0,2,0,0,0,0|2,0,0]=4 1504 B12R1.371 O=C(CO)Nc1cccnc1O cfb5b466766ac4e03306f3267be675c4 [0,2,0,0,0,0|2,0,0]=4 1505 B12R1.371 O=C(CO)Nc1cnccc1F c14a87bba50aa7dfa1b07af2d7dd3d7b [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.371 O=C(CO)Nc1cnccc1I d156adf54711d75d90b4ad07aec9cca9 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.371 O=C(CO)Nc1ncccc1Cl 7772216a509d2f271827ec664aa9bd03 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.371 O=C(CO)Nc1ncccc1F 1107c14be08cae9d90e9cecf85ab443d [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.371 O=C(CO)Nc1ncccc1I 0b0c7d1b60ed89c6f4cdf0ae8044c876 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.371 O=C(CO)Nc1ncccc1O ae057bf22c02ec1c9708eee170ac9420 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.371 O=C(CS)Nc1ccccc1I b9dbdf95d505aceb18ed2418e28753aa [0,2,0,0,0,0|1,1,0]=4 1512 B12R1.371 O=CC(=O)Nc1ccccc1Br 7058336679ba69d39674b3c86c28e3f9 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.371 O=CC(=O)Nc1ccccc1Cl 9a72d75ca46083d23b6f52a31e240aa0 [0,2,0,0,0,0|1,0,1]=4 1514 B12R1.371 O=CC(=O)Nc1ccccc1F 1f81a01759afe8571b5912fad33207bb [0,2,0,0,0,0|1,0,1]=4 1515 B12R1.371 O=CC(=O)Nc1ccccc1I 673328a9d4095e886bbc6b7e908b5522 [0,2,0,0,0,0|1,0,1]=4 1516 B12R1.371 O=CC(=O)Nc1ccccc1O e415f0146d0743efb0d7d2314f6f490f [0,2,0,0,0,0|1,0,1]=4 1517 B12R1.371 O=CC(=O)Nc1ccccc1S 26651d9294816246534bfb73b52fa2e9 [0,2,0,0,0,0|1,0,1]=4 1518 B12R1.75 C#Cc1ccccc1NC(=O)C 4461b1ad79a205576b1537ba0b7a1c45 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.75 C=Cc1ccccc1NC(=O)C 5268ea1e42747cbde59451b14da60f4f [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.75 CC(=O)Nc1ccccc1C#N 2b065c1cfe22afa5c24515fcd18283bd [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.75 CC(=O)Nc1ccccc1C=O 01849de0c2afbf0fd1bfd5cf138f712d [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.75 CC(=O)Nc1ccccc1CBr f4be17e173403bc79c7519660c99e8f1 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.75 CC(=O)Nc1ccccc1CO b89646b9773d96392fa1223dcb029965 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.75 CC(=O)Nc1ccccc1CS bed3f5860b5c74a89ab9fd435ab53256 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.75 CCc1ccccc1NC(=O)C ab6d65e3c5537181bc992814e45b99ca [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.75 COc1ccccc1NC(=O)C 99183408a901862594abd2438e5d4ddd [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.75 CSc1ccccc1NC(=O)C 963646d8f23d85ca9001073ee0217f48 [0,2,0,0,0,0|2,0,0]=4 1528 B12R1.127 CC(=O)Nc1cc(ccc1C)C 20223331c17d1785990adcbdb7b2a9b9 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 37729062909659db882448da6ad7670f [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.127 CC(=O)Nc1cc(ccc1C)F 8d84c0e1f2785684477fa44f36bd973d [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.127 CC(=O)Nc1cc(ccc1C)O a5fceb3d9a774e4a39ee21dca95f7437 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.127 CC(=O)Nc1cc(ccc1F)F 06bfade5641c4e5c18d0534a4f154d3f [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.127 CC(=O)Nc1cc(ccc1I)C d1a70a486c75d5da5030eb4cb2ac269d [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.127 CC(=O)Nc1cc(ccc1I)F a85070251155f7434656402ddf15314e [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.127 CC(=O)Nc1cc(ccc1S)F 2c47aed2234497d7aa3ca037d5d6c6e8 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.224 CC(=O)Nc1cccc(c1Br)Br 658b0d1ce8339bfbfa6bcf2fa0591082 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.224 CC(=O)Nc1cccc(c1Br)C 7c5116d0387b761e5b69eb6b9c786d4e [0,2,0,0,0,0|2,0,0]=4 1538 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl d988e941316e20481bb9885000cb5727 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.224 CC(=O)Nc1cccc(c1Br)F 527b8401b70a8072b4cc49a597e25870 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.224 CC(=O)Nc1cccc(c1Br)I 6d3a9abe50301ee56bd4cb3770e47194 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.224 CC(=O)Nc1cccc(c1C)C 0f2082902786aef57d73b4f7cf4c5dad [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 139132a82f2ec44e6faf215c707fece7 [0,2,0,0,0,0|2,0,0]=4 1543 B12R1.224 CC(=O)Nc1cccc(c1C)F 9e5433749f7b084d0cada01abaea6a15 [0,2,0,0,0,0|2,0,0]=4 1544 B12R1.224 CC(=O)Nc1cccc(c1C)I f51612e1a77e7e5ec7c2b9ac8022a64a [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.224 CC(=O)Nc1cccc(c1C)O d4df3d608ba63190145cf3529bc2547a [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.224 CC(=O)Nc1cccc(c1Cl)C e7c4eb8e93f0027b202d262b4c925b2a [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 132ac517018d2f579dae5d3ab01d5310 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.224 CC(=O)Nc1cccc(c1Cl)F bc7e92346f1a6c7517cb651dadc882ce [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.224 CC(=O)Nc1cccc(c1Cl)I 3e4745da1a5a4427b698a15e203e55b5 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 526938bf4152629e587e0940e5518d92 [0,2,0,0,0,0|2,0,0]=4 1551 B12R1.224 CC(=O)Nc1cccc(c1Cl)S 508bcce309227d08c6b9338f934f1eee [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.224 CC(=O)Nc1cccc(c1F)Br 449ea3fe76bb041697a29dc66856b37b [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.224 CC(=O)Nc1cccc(c1F)C 600f4800b67cedd3ed5db170361c8396 [0,2,0,0,0,0|2,0,0]=4 1554 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1652b662f8e589f7878e90f7038134b7 [0,2,0,0,0,0|2,0,0]=4 1555 B12R1.224 CC(=O)Nc1cccc(c1F)F e92205f08de489d2f931a395d0ae593e [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.224 CC(=O)Nc1cccc(c1F)I 49f8759a183f5c40ea43d37a94c102b5 [0,2,0,0,0,0|2,0,0]=4 1557 B12R1.224 CC(=O)Nc1cccc(c1F)O 676328d1264f52b8038ed86f274062b8 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 841a7dfd185c00389d1d8530bad7b18d [0,2,0,0,0,0|2,0,0]=4 1559 B12R1.224 CC(=O)Nc1cccc(c1I)F e5ebb80739f473077e1d35d877bdc309 [0,2,0,0,0,0|2,0,0]=4 1560 B12R1.224 CC(=O)Nc1cccc(c1O)Br 117f44e2faec5b2da3ed172c9d244bac [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.224 CC(=O)Nc1cccc(c1O)C eca81aea8ccbfe5bf0ed8ea670c1a3f1 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.224 CC(=O)Nc1cccc(c1O)Cl b69c9961d44ed2f3df662c55861bdfcf [0,2,0,0,0,0|2,0,0]=4 1563 B12R1.224 CC(=O)Nc1cccc(c1O)F 054e690740f59456026be2235c325adf [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.224 CC(=O)Nc1cccc(c1O)I 63f44a8716f6725cafc4e86070948279 [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.224 CC(=O)Nc1cccc(c1O)O ffce5c3ea1f532fc03bc0ed361f55c5a [0,2,0,0,0,0|2,0,0]=4 1566 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 2c7962f0ad24a1e0a6effd04505b8a3c [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 27ecd8d6af879191057b99c031c87486 [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.1009 CC(=O)Nc1c(cccc1C)C 2ac3241c7b35c9a95dd9e1739b4e7c56 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 86ef1c6c45ee396833158affc069ed96 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl ea421d09dccbec385d63077899cfdf58 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 2bb78a9a0cfb6b863fd81a76f0548987 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O b7c7e6b04724d81c620900972fb12e09 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.1009 CC(=O)Nc1c(cccc1F)C 791b1e972279f47469258d02727cef1a [0,2,0,0,0,0|2,0,0]=4 1574 B12R1.1009 CC(=O)Nc1c(cccc1F)F 93be7826c1be5861d68ca8e79c75844d [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.1009 CC(=O)Nc1c(cccc1F)O 390a952df56471f9016b01bdf49cb4b0 [0,2,0,0,0,0|2,0,0]=4 1576 B12R1.1009 CC(=O)Nc1c(cccc1I)C 17a63a68083f6a35131ce657e1ce44bd [0,2,0,0,0,0|2,0,0]=4 1577 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl bd0eed242d594ef7d0513fbbc2717c2a [0,2,0,0,0,0|2,0,0]=4 1578 B12R1.1009 CC(=O)Nc1c(cccc1I)F 357497f064b81e3e5c71d1f14dc2c7be [0,2,0,0,0,0|2,0,0]=4 1579 B12R1.1009 CC(=O)Nc1c(cccc1I)O 13db496f256d6eac71002de95061a2d3 [0,2,0,0,0,0|2,0,0]=4 1580 B12R1.1009 CC(=O)Nc1c(cccc1O)C f9f9b381573be554bed1928b516e995c [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.1009 CC(=O)Nc1c(cccc1O)O 7c1f1fc657e12a6d073036a920fee7c3 [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.1009 CC(=O)Nc1c(cccc1S)F 7a14adb9bbf70e026bef6c6031550ac9 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 61d79572e925e7065a47201076ec7902 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 79bf7883facd059d1143febf38f01c76 [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 2135302dd8f03c046cf336e44d0ebdcb [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 437e639ed59d7cbbe8b358ceb9971464 [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 902ab2e13bd2f33998ff2795dec8406f [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 2c563a1afd826a0c00a566050f70f03a [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.101 CC(=O)Nc1cc(cc(c1)F)O 1f2816dd9f17076a2b13754714bdd900 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.101 CC(=O)Nc1cc(cc(c1)I)C 3b489d0810447102ee4a5d1205218df4 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl c4f413e82de4a11005ea1e70ace1c6ef [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F ecd845a2a5cc71b6a3f72a89de32604d [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 870911acb2b584a7c25beb4faa475ce7 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 9667b25811c2d738e80fc3dc3ad50db6 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.438 C#Cc1cccc(c1)NC(=O)C a70782516101ac1fd4500a34844ce1f7 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.438 C=Cc1cccc(c1)NC(=O)C a9fab14f38c136b2ae8e0c3225da98f4 [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.438 CC(=O)Nc1cccc(c1)C#N 6769c8837121f4c89714388f40f62950 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.438 CC(=O)Nc1cccc(c1)CBr d0b7cf7874f3fd97421750cfec39e009 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.438 CC(=O)Nc1cccc(c1)CF 97a230bc3824ea648865f73b5dfc68ce [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.438 CC(=O)Nc1cccc(c1)CO 0ad40df74383cfea037b41c01bcadc75 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.438 CCc1cccc(c1)NC(=O)C 15904dc358d5d298ca31f04f6e829788 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.438 COc1cccc(c1)NC(=O)C b2a978843f09ac312d631a800d1ded40 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.438 CSc1cccc(c1)NC(=O)C 200dd94b08e0817c1b39f2dfef8bc40b [0,2,0,0,0,0|2,0,0]=4 1604 B10R1.66 O=C(O)CNc1cccs1 4058449a8cebe920b6e952aa38581266 [0,0,1,1,0,0|2,0,0]=4 1605 B10R1.66 O=C(O)CNc1ccsc1 c844ee29c143c2527480ec93d2f5fc5f [0,0,1,1,0,0|2,0,0]=4 1606 B10R1.66 O=C(O)COc1ccco1 6b958b8d422d5fb1092e70422390022e [0,0,1,1,0,0|2,0,0]=4 1607 B10R1.66 O=C(O)COc1cccs1 21851641d4378df5c5d5c2979c3c711b [0,0,1,1,0,0|2,0,0]=4 1608 B10R1.66 O=C(O)COc1ccsc1 aa5433da28ee2912bef48e37dea2acb0 [0,0,1,1,0,0|2,0,0]=4 1609 B12R2.27 O=CN1CC1c2ccccc2 762f19a034f772a367d3e7ac6806d5e0 [0,1,0,1,0,0|2,0,0]=4 1610 B12R2.27 O=CN1C[C@@H]1c2ccccc2 3cd739dd6b25e8af9413dc2836c79b56 [0,1,0,1,0,0|2,0,0]=4 1611 B12R2.27 OCN1CC1c2ccccc2 380946bf56a518a4f82b6f06607820f1 [0,1,0,1,0,0|2,0,0]=4 1612 B12R2.27 OCN1C[C@@H]1c2ccccc2 b0131158d23691f2ccd2899d00b705c5 [0,1,0,1,0,0|2,0,0]=4 1613 B12R2.32 O=CN1Cc2ccccc2C1 fa4bd7c2785a013e903c97186977b026 [0,1,0,1,0,0|2,0,0]=4 1614 B12R2.32 OCN1Cc2ccccc2C1 67d53a903b838c41ecebb3a336e33160 [0,1,0,1,0,0|2,0,0]=4 1615 B8R1.8 O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [1,0,0,0,1,0|2,0,0]=4 1616 B8R1.8 O=CNc1ccsc1 0a6858906ba6a8fe50b8bca40778ed89 [1,0,0,0,1,0|2,0,0]=4 1617 B10R0.27 C=CCC(C=C)OCC(=O)O e6a390ff767ddda09d17a47efca296c6 [0,0,1,0,0,1|0,0,2]=4 1618 B12R1.252 C/C(=C/CNc1ccccc1)/I 0655b4b8bd1a651f428f8af38afb9805 [0,0,0,0,0,2|2,0,0]=4 1619 B12R1.252 C/C(=C\CNc1ccccc1)/Cl 03a2a67b224185dfa00dfc501ddc5144 [0,0,0,0,0,2|2,0,0]=4 1620 B12R1.252 C=C(Br)CNCc1ccccc1 9c1b05ca270d752c1d4010b95922e620 [0,0,0,0,0,2|2,0,0]=4 1621 B12R1.252 C=C(Br)COCc1ccccc1 03171f9a997e7b5e8cadd59a879b8b6c [0,0,0,0,0,2|2,0,0]=4 1622 B12R1.252 C=C(C)CCNc1ccccc1 6b5b9510ef6be8f5a83e582e3308e56d [0,0,0,0,0,2|2,0,0]=4 1623 B12R1.252 C=C(C)CNCc1ccccc1 5d90204cfd05ab0918bdacf95677a05b [0,0,0,0,0,2|2,0,0]=4 1624 B12R1.252 C=C(C)COCc1ccccc1 f4499d14dd2f7bb4726f716f15e929df [0,0,0,0,0,2|2,0,0]=4 1625 B12R1.252 C=C(Cl)CNCc1ccccc1 d045578b64ad4263f98d93d0c0da8316 [0,0,0,0,0,2|2,0,0]=4 1626 B12R1.252 C=C(Cl)COCc1ccccc1 8ea87585e2ec6fc9c83af9159d3e33eb [0,0,0,0,0,2|2,0,0]=4 1627 B12R1.252 C=C(F)CNCc1ccccc1 e1a9166891b5eedd5de2496e23c16415 [0,0,0,0,0,2|2,0,0]=4 1628 B12R1.252 C=C(F)COCc1ccccc1 0270311e0993ffc2a11a2318afb6410f [0,0,0,0,0,2|2,0,0]=4 1629 B12R1.252 C=C(I)COCc1ccccc1 516dafeab05685e2cd864f8688136ad5 [0,0,0,0,0,2|2,0,0]=4 1630 B12R1.252 CC(=CCNc1ccccc1)C eb01c4541faf3d2e0c0e5ab3c7071819 [0,0,0,0,0,2|2,0,0]=4 1631 B12R1.252 CC(=CCNc1ccccc1)Cl f13a71d1d4148a74f0302cf2c11de8f3 [0,0,0,0,0,2|2,0,0]=4 1632 B12R1.252 CC(=CCNc1ccccc1)I ca45f16e4e3e563d8f77df266f95064c [0,0,0,0,0,2|2,0,0]=4 1633 B12R1.252 CC(=O)CCNc1ccccc1 9b0f0a0043bcfdd99ee44d3d72b922e5 [0,0,0,0,0,2|1,0,0]=3 1634 B12R1.252 CC(=O)CCNc1ccccn1 997919901794ee27201838f3f268a693 [0,0,0,0,0,2|2,0,0]=4 1635 B12R1.252 CC(=O)CCNc1cccnc1 d55d133f13b833b5bf8507a979c71c53 [0,0,0,0,0,2|2,0,0]=4 1636 B12R1.252 CC(=O)CCNc1ccncc1 bbf0d1b9e62272e08678140c87e735f6 [0,0,0,0,0,2|2,0,0]=4 1637 B12R1.252 CC(=O)CCOc1ccccn1 f0d6b589e7af691479be38abbd6bcdf3 [0,0,0,0,0,2|2,0,0]=4 1638 B12R1.252 CC(=O)CCOc1cccnc1 67dae2709723517ab5af883d0837054b [0,0,0,0,0,2|2,0,0]=4 1639 B12R1.252 CC(=O)CCOc1ccncc1 1ac74c4f9261a84ccdad1c4e049e9ece [0,0,0,0,0,2|2,0,0]=4 1640 B12R1.252 CC(=O)CNCc1ccccc1 5e4599c3af112643425e1a35238a896f [0,0,0,0,0,2|1,0,0]=3 1641 B12R1.252 CC(=O)CNCc1ccccn1 6857f6976c347e411d9abdd48f8982fb [0,0,0,0,0,2|2,0,0]=4 1642 B12R1.252 CC(=O)CNCc1cccnc1 39d89333d7252b4434a1fdfd17a4d718 [0,0,0,0,0,2|2,0,0]=4 1643 B12R1.252 CC(=O)COCc1ccccc1 18daaa7c0d669a182de591929c861cbe [0,0,0,0,0,2|1,0,0]=3 1644 B12R1.252 CC(=O)COCc1ccccn1 f8ed3ffb815bee7f1737eacfe042d64f [0,0,0,0,0,2|2,0,0]=4 1645 B12R1.252 CC(=O)COCc1cccnc1 36638c01e0a61511be9d007508b97b48 [0,0,0,0,0,2|2,0,0]=4 1646 B12R1.252 CC(=O)NCCc1ccccc1 1052e9521fedb3e85cab4ef571c55982 [0,0,0,0,0,2|1,0,0]=3 1647 B12R1.252 CC(=O)NCCc1ccccn1 3ad8e2876430ef8ccd3cbeba8ed6119f [0,0,0,0,0,2|2,0,0]=4 1648 B12R1.252 CC(=O)NCCc1cccnc1 3962e9654ba13e9ef1bdd3c037e7deff [0,0,0,0,0,2|2,0,0]=4 1649 B12R1.252 CC(=O)NCCc1ccncc1 56311f224412b2ab7d4e3e56f79fd239 [0,0,0,0,0,2|2,0,0]=4 1650 B12R1.252 CC(=O)OCNc1ccccc1 6887be863fb786ec7dd333ad6d1f93a1 [0,0,0,0,0,2|1,0,0]=3 1651 B12R1.252 CC(=O)OCNc1ccccn1 a41f1b71ededa97eb4355e9af8654026 [0,0,0,0,0,2|2,0,0]=4 1652 B12R1.252 CC(=O)OCNc1cccnc1 4178bffb832b0edcfc9121cf9bba84c2 [0,0,0,0,0,2|2,0,0]=4 1653 B12R1.252 CC(=O)OCNc1ccncc1 108d237aa1f6f8444cb5b9cf1463791c [0,0,0,0,0,2|2,0,0]=4 1654 B12R1.252 CC(=O)OCOc1ccccn1 86abcd8d807149e2e6ef73302de6ba90 [0,0,0,0,0,2|2,0,0]=4 1655 B12R1.252 CC(=O)OCOc1cccnc1 276102d131e97a552c86e2e9163e6724 [0,0,0,0,0,2|2,0,0]=4 1656 B12R1.252 CC(=O)OCOc1ccncc1 cfb5cc299f2c001f2ecc804da49cda8d [0,0,0,0,0,2|2,0,0]=4 1657 B12R1.252 CC(O)CCNc1ccccc1 5c6c9358fbd8939fc6c9f54dcb2d3a37 [0,0,0,0,0,2|1,0,1]=4 1658 B12R1.252 CC(O)CNCc1ccccc1 19d19f96fb686d7cbd72f5df359e9dd8 [0,0,0,0,0,2|1,0,1]=4 1659 B12R1.252 CS(=O)CCNc1ccccc1 5cc8a55dee9bbafc2b2ae46532475526 [0,0,0,0,0,2|2,0,0]=4 1660 B12R1.252 C[C@@H](O)CCNc1ccccc1 3c324f6ae4acc93f637fccf82ee7ce0d [0,0,0,0,0,2|1,0,1]=4 1661 B12R1.252 C[C@@H](O)CNCc1ccccc1 6c2312c00225852faacfd748f3e179a9 [0,0,0,0,0,2|1,0,1]=4 1662 B12R1.252 C[C@H](O)CCNc1ccccc1 6e2f4bd6880dfbdf2c0288d2956dbdc6 [0,0,0,0,0,2|1,0,1]=4 1663 B12R1.252 C[C@H](O)CNCc1ccccc1 300dc860ca45284f1e63efe30c8515f8 [0,0,0,0,0,2|1,0,1]=4 1664 B12R1.252 ClC(=CCNc1ccccc1)Cl f93ac06425c349741681a1c82b9f122b [0,0,0,0,0,2|2,0,0]=4 1665 B12R1.252 NC(=O)CCNc1ccccc1 e3f281a2334f3d253ae1981a98fa192d [0,0,0,0,0,2|1,0,0]=3 1666 B12R1.252 NC(=O)CCNc1ccccn1 92e4f83573998c2485b8b03f9bb014d7 [0,0,0,0,0,2|2,0,0]=4 1667 B12R1.252 NC(=O)CCNc1cccnc1 fb2350cfee1403db1adf78cad93552fa [0,0,0,0,0,2|2,0,0]=4 1668 B12R1.252 NC(=O)CCNc1ccncc1 41966ebccd2e6adac7cedbf45bd0e0ac [0,0,0,0,0,2|2,0,0]=4 1669 B12R1.252 NC(=O)CCOc1ccccn1 ef33f2f40c5695caaa5c50c5e9999f80 [0,0,0,0,0,2|2,0,0]=4 1670 B12R1.252 NC(=O)CCOc1cccnc1 363c960c3fefb5c5a22efaa39f0fda7e [0,0,0,0,0,2|2,0,0]=4 1671 B12R1.252 NC(=O)CCOc1ccncc1 115db31c3555c3637159c99e125c4f46 [0,0,0,0,0,2|2,0,0]=4 1672 B12R1.252 NC(=O)CNCc1ccccc1 83654b4ad4ce52b5beb58e8e02b043be [0,0,0,0,0,2|1,0,0]=3 1673 B12R1.252 NC(=O)CNCc1ccccn1 3c1dd420ad69284782fb8583eb56bf60 [0,0,0,0,0,2|2,0,0]=4 1674 B12R1.252 NC(=O)CNCc1cccnc1 8d19a20f0fc03f424e228f292b3559c8 [0,0,0,0,0,2|2,0,0]=4 1675 B12R1.252 NC(=O)CNCc1ccncc1 fcee1b0444df7b2e2993572525b4e39b [0,0,0,0,0,2|2,0,0]=4 1676 B12R1.252 NC(=O)COCc1ccccc1 eacdadd1a099559aa1699a209237e0c7 [0,0,0,0,0,2|1,0,0]=3 1677 B12R1.252 NC(=O)COCc1ccccn1 0d9c0bff99698d95c8b9e9a6d8922eb4 [0,0,0,0,0,2|2,0,0]=4 1678 B12R1.252 NC(=O)COCc1cccnc1 51b6ad658b269a92444e834b1f785c0e [0,0,0,0,0,2|2,0,0]=4 1679 B12R1.252 NC(=O)COCc1ccncc1 953db8950d283323ec8fc016e8c4fe7d [0,0,0,0,0,2|2,0,0]=4 1680 B12R1.252 NC(=O)SCNc1ccccc1 04fee35ff8f9c889431229dba8f9753f [0,0,0,0,0,2|1,0,0]=3 1681 B12R1.252 NC(=O)SCNc1ccccn1 9f527f03a77ec47343887a49f737f445 [0,0,0,0,0,2|2,0,0]=4 1682 B12R1.252 NC(=O)SCNc1cccnc1 21908f4213de8cdd1a147da4de7d897b [0,0,0,0,0,2|2,0,0]=4 1683 B12R1.252 NC(=O)SCNc1ccncc1 aff411b6d8fa6b0b923a6798d6b54c72 [0,0,0,0,0,2|2,0,0]=4 1684 B12R1.252 NC(=O)SCOc1ccccn1 a7c03ec46fb8c0626c8f63c3955a07da [0,0,0,0,0,2|2,0,0]=4 1685 B12R1.252 NC(=O)SCOc1cccnc1 d018f902b677a1f9dedb88e315d7a055 [0,0,0,0,0,2|2,0,0]=4 1686 B12R1.252 NC(=O)SCOc1ccncc1 95e815057013fa30722e3b1a9bc58d06 [0,0,0,0,0,2|2,0,0]=4 1687 B12R1.252 NC(=S)CCNc1ccccc1 fdd014489a9f5fc5a2655cbf4a4fb01b [0,0,0,0,0,2|1,1,0]=4 1688 B12R1.252 NC(=S)COCc1ccccc1 397a628005598ffe9bcc09a6e0a362e3 [0,0,0,0,0,2|1,1,0]=4 1689 B12R1.252 O=C(O)CCNc1ccccc1 ed7f72bbe0b1599eda9c30db2d051414 [0,0,0,0,0,2|0,0,0]=2 1690 B12R1.252 O=C(O)CCNc1ccccn1 0537ea6c1dceaf8751238bf02ee3d095 [0,0,0,0,0,2|1,0,0]=3 1691 B12R1.252 O=C(O)CCNc1cccnc1 5ce9abae26295a33d354a7af3429e5db [0,0,0,0,0,2|1,0,0]=3 1692 B12R1.252 O=C(O)CCNc1cccnn1 9ba244b3b9d829c3744cf80436b27c6c [0,0,0,0,0,2|2,0,0]=4 1693 B12R1.252 O=C(O)CCNc1ccncc1 c76a2848f4b88ba3bf9880e1598d6cd8 [0,0,0,0,0,2|1,0,0]=3 1694 B12R1.252 O=C(O)CCNc1ccncn1 af59eefbc2de49d91413ec4600c8c80a [0,0,0,0,0,2|2,0,0]=4 1695 B12R1.252 O=C(O)CCNc1ccnnc1 f1d7bd4afd486248a130b4a1cb2e09fa [0,0,0,0,0,2|2,0,0]=4 1696 B12R1.252 O=C(O)CCNc1cnccn1 981a598eb10a9642318f0c29dfce0627 [0,0,0,0,0,2|2,0,0]=4 1697 B12R1.252 O=C(O)CCNc1cncnc1 48c033ae195c8f775922ebf6b88b8534 [0,0,0,0,0,2|2,0,0]=4 1698 B12R1.252 O=C(O)CCNc1ncccn1 716730d45ee6d7fb77471bdac12273b8 [0,0,0,0,0,2|2,0,0]=4 1699 B12R1.252 O=C(O)CCOc1cccnc1 a9700a007db2ce9b0e7a0a82d7a2830b [0,0,0,0,0,2|1,0,0]=3 1700 B12R1.252 O=C(O)CCOc1ccnnc1 8b9832e0f2a39f64ffe81605b3b3483a [0,0,0,0,0,2|2,0,0]=4 1701 B12R1.252 O=C(O)CCOc1cnccn1 85397fb8c7bf85f540d50cbb22cb6f06 [0,0,0,0,0,2|2,0,0]=4 1702 B12R1.252 O=C(O)CNCc1ccccc1 db9e4b752c6e68fd22fb535c2b9167d2 [0,0,0,0,0,2|0,0,0]=2 1703 B12R1.252 O=C(O)CNCc1ccccn1 3c84db281076170db068c06ad4fa1558 [0,0,0,0,0,2|1,0,0]=3 1704 B12R1.252 O=C(O)CNCc1cccnc1 0f23cde99dad163ff1a43f270a6b97df [0,0,0,0,0,2|1,0,0]=3 1705 B12R1.252 O=C(O)CNCc1cccnn1 acd9ab6e7ee8b37279e42ed35198bb88 [0,0,0,0,0,2|2,0,0]=4 1706 B12R1.252 O=C(O)CNCc1ccncc1 572927dbbf5d53ea5ca9341b6194c6ae [0,0,0,0,0,2|1,0,0]=3 1707 B12R1.252 O=C(O)CNCc1ccncn1 b2df96f604cc7b1d4aa440c5c8f2448d [0,0,0,0,0,2|2,0,0]=4 1708 B12R1.252 O=C(O)CNCc1ccnnc1 8cf3c448bc1bb214afe9fea04c62b1c9 [0,0,0,0,0,2|2,0,0]=4 1709 B12R1.252 O=C(O)CNCc1cnccn1 d10366540a0a03a79e7118295988c03f [0,0,0,0,0,2|2,0,0]=4 1710 B12R1.252 O=C(O)CNCc1cncnc1 55cdcd213db4c0b6ed270bf84a5d0e12 [0,0,0,0,0,2|2,0,0]=4 1711 B12R1.252 O=C(O)CNCc1ncccn1 a1bf39e3120040780e27cae797878cf5 [0,0,0,0,0,2|2,0,0]=4 1712 B12R1.252 O=C(O)COCc1ccccc1 a919d4e5b6621fc6b657c329a5a5b2a3 [0,0,0,0,0,2|0,0,0]=2 1713 B12R1.252 O=C(O)COCc1ccccn1 23d47dd96051fd1e4e6f2b6ade2c5861 [0,0,0,0,0,2|1,0,0]=3 1714 B12R1.252 O=C(O)COCc1cccnc1 f0ccee5ed9ee69c492f291b8d433ec22 [0,0,0,0,0,2|1,0,0]=3 1715 B12R1.252 O=C(O)COCc1cccnn1 1d7cd1dc4f1a94df1c3289cffeb37f42 [0,0,0,0,0,2|2,0,0]=4 1716 B12R1.252 O=C(O)COCc1ccncc1 5c10a3aeb68608515bbdc7a10de9fb73 [0,0,0,0,0,2|1,0,0]=3 1717 B12R1.252 O=C(O)COCc1ccncn1 f2095ad1d839fba330ffd44a9e54039d [0,0,0,0,0,2|2,0,0]=4 1718 B12R1.252 O=C(O)COCc1ccnnc1 3e62a9b1d301613721d88356a433da6e [0,0,0,0,0,2|2,0,0]=4 1719 B12R1.252 O=C(O)COCc1cnccn1 a86c3852368f7621a0f962fe521e9d03 [0,0,0,0,0,2|2,0,0]=4 1720 B12R1.252 O=C(O)COCc1cncnc1 5d947e722d5ad1958dfe87fdf6d38f91 [0,0,0,0,0,2|2,0,0]=4 1721 B12R1.252 O=C(O)COCc1ncccn1 279c489594880f670133afd04a5febb9 [0,0,0,0,0,2|2,0,0]=4 1722 B12R1.252 O=S(O)CCNc1ccccc1 0ff7b55f6ed3d9a491931fe66155130d [0,0,0,0,0,2|1,0,0]=3 1723 B12R1.252 O=S(O)CCNc1ccccn1 52912e49a54a8727cdb7fa7cdbaa0329 [0,0,0,0,0,2|2,0,0]=4 1724 B12R1.252 O=S(O)CCNc1cccnc1 8f3cc3d54c366194ea7c1d90eedb2769 [0,0,0,0,0,2|2,0,0]=4 1725 B12R1.252 O=S(O)CCNc1ccncc1 1bccbbd349ab32d08b8e6cc196f228c1 [0,0,0,0,0,2|2,0,0]=4 1726 B12R1.252 O=S(O)COCc1ccccc1 b3f70ea663599ebd17c7712fcc9ee3f6 [0,0,0,0,0,2|1,0,0]=3 1727 B12R1.252 O=S(O)COCc1ccccn1 82f7ef930a26c74110028b3fbc96ff09 [0,0,0,0,0,2|2,0,0]=4 1728 B12R1.252 O=S(O)COCc1cccnc1 83e3ec94332cb681c92d904cbf5092fb [0,0,0,0,0,2|2,0,0]=4 1729 B12R1.252 O=[N+]([O-])CNCc1ccccc1 003ae0a8ef4956ccaf12e059439e2939 [0,0,0,0,0,2|1,0,1]=4 1730 B12R1.252 O=[N+]([O-])COCc1ccccc1 ee8d233480e436ac44b29eeacba4e8fe [0,0,0,0,0,2|1,0,1]=4