0 B14R1.158 C#CCCCN(C)Cc1ccccc1 7b9bfb4907a25fdd260dea7b99394feb [0,0,0,0,0,0|3,0,0]=3 1 B14R1.158 C#CCCCN(C)Cc1ccccn1 54517b13f08d9c8d9b75194668852083 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.158 C#CCCCN(C)Cc1cccnc1 9e5421ecf7ceb8eb9e267f74e305fb1e [0,0,0,0,0,0|4,0,0]=4 3 B14R1.158 C#CCCCN(C)Cc1ccncc1 a4335d45cc63ea754ea132ff91c55235 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.158 C#CCCNC(=O)Cc1ccccn1 f5e7fb43407a1651ecfda373be9f1a2c [0,0,0,0,0,0|3,0,1]=4 5 B14R1.158 C#CCCNC(=O)Cc1cccnc1 05b178ba1f8f14dddc52cb314d5d0537 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.158 C#CCCNC(=O)Cc1ccncc1 a315564b5e49576eb8ad807e6e9295b4 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.158 C#CCCNC(=S)Nc1ccccc1 34716eeb069f9cd50fd5efbf015673bb [0,0,0,0,0,0|3,0,1]=4 8 B14R1.158 C#CCCNC(C)Cc1ccccn1 c95adcbe97bde2e6c12d1c92d5260230 [0,0,0,0,0,0|2,0,0]=2 9 B14R1.158 C#CCCNC(C)Cc1cccnc1 1b399cbed9b9edca32d4ad5e5bcb6f39 [0,0,0,0,0,0|2,0,0]=2 10 B14R1.158 C#CCCNC(C)Cc1ccncc1 964b068abb388be9d22de6867dfaf64e [0,0,0,0,0,0|2,0,0]=2 11 B14R1.158 C#CCCNC(C)Cc1cnccn1 3fddf1ab2e7e8ec6031a5249e3e5d340 [0,0,0,0,0,0|3,0,0]=3 12 B14R1.158 C#CCCOC(C)Cc1ccccc1 e7908561448c7d79805feeb3266393c5 [0,0,0,0,0,0|2,0,0]=2 13 B14R1.158 C#CCCOC(C)Cc1ccccn1 278bdc6bdd5047a8c5b74541fd1e1341 [0,0,0,0,0,0|3,0,0]=3 14 B14R1.158 C#CCCOC(C)Cc1cnccn1 1cce86774c619f4f6f06bcefc76479ef [0,0,0,0,0,0|4,0,0]=4 15 B14R1.158 C#CCCO[C@@H](C)Cc1ccccc1 8643c0f9aa4ea07eaeacda93d4150021 [0,0,0,0,0,0|2,0,0]=2 16 B14R1.158 C#CCCO[C@H](C)Cc1ccccc1 aa42aeef574195c5a24cfbc9612d19b0 [0,0,0,0,0,0|2,0,0]=2 17 B14R1.158 C#CCNCC(C)Oc1ccccc1 fa4247445fd58a8e593a7b699640fb92 [0,0,0,0,0,0|4,0,0]=4 18 B14R1.158 C#CCNCC(O)Cc1ccccc1 a18e8155671c47115e87ab1ca80bdd14 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.158 C#CCOCC(C)Oc1ccccc1 2922ab35d1a818fe8a3ddd92b31f2b62 [0,0,0,0,0,0|4,0,0]=4 20 B14R1.158 C#CCOC[C@H](C)Oc1ccccc1 b3617976d59d26e7c6eca567160a3c5c [0,0,0,0,0,0|4,0,0]=4 21 B14R1.158 C/C(=C\c1ccccc1)/COCC#N c0560a5612ba344cd7d0381715939fb9 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.158 C/C=C/CNC(C)Cc1ccccn1 17b61b694f4522a9a708cdb7fca7d108 [0,0,0,0,0,0|2,0,2]=4 23 B14R1.158 C/C=C/CNC(C)Cc1cccnc1 335c373dec2b52f39276d7cac83510b7 [0,0,0,0,0,0|2,0,2]=4 24 B14R1.158 C/C=C/CNC(C)Cc1ccncc1 c1ab5d8195dcf5a6b3b88a500abda1b8 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.158 C/C=C/COC(C)Cc1ccccc1 3d83fb236d66e1708d55880b342555da [0,0,0,0,0,0|2,0,2]=4 26 B14R1.158 C/C=C/CO[C@@H](C)Cc1ccccc1 ba6140df0d09b2b7fd4a938712384c1c [0,0,0,0,0,0|2,0,2]=4 27 B14R1.158 C/C=C/CO[C@H](C)Cc1ccccc1 b67c0a96011bedde0ce46639ef7a360c [0,0,0,0,0,0|2,0,2]=4 28 B14R1.158 C/C=C\CNC(C)Cc1ccccn1 39389925ffe726795efbc9e3c651a935 [0,0,0,0,0,0|2,0,2]=4 29 B14R1.158 C/C=C\CNC(C)Cc1cccnc1 6dd41f86538c809baa25c3918c8097b4 [0,0,0,0,0,0|2,0,2]=4 30 B14R1.158 C/C=C\CNC(C)Cc1ccncc1 e38835bb3048fdb2a075f477da9e967d [0,0,0,0,0,0|2,0,2]=4 31 B14R1.158 C/C=C\COC(C)Cc1ccccc1 ad8323ee62bdcee3c55208419a953f2e [0,0,0,0,0,0|2,0,2]=4 32 B14R1.158 C/C=C\CO[C@@H](C)Cc1ccccc1 b5f9693004ac463d59d98afb36d69251 [0,0,0,0,0,0|2,0,2]=4 33 B14R1.158 C/C=C\CO[C@H](C)Cc1ccccc1 9b3134a86040f1fca19fe984aec5b5e5 [0,0,0,0,0,0|2,0,2]=4 34 B14R1.158 C=CCCCN(C)Cc1ccccc1 2a0a16680527db59c2ae230c2665169d [0,0,0,0,0,0|3,0,1]=4 35 B14R1.158 C=CCCNC(C)Cc1ccccc1 d1a6bf4b859ee87b1cc8d66b1173ea5c [0,0,0,0,0,0|1,0,1]=2 36 B14R1.158 C=CCCNC(C)Cc1ccccn1 f8d870fefc03815a1cee51f7f2a68f48 [0,0,0,0,0,0|2,0,1]=3 37 B14R1.158 C=CCCNC(C)Cc1cccnc1 6e78d26c932a07091311be77ca5c318a [0,0,0,0,0,0|2,0,1]=3 38 B14R1.158 C=CCCNC(C)Cc1ccncc1 aadc9314358a0ebea6b6c0cac9638d02 [0,0,0,0,0,0|2,0,1]=3 39 B14R1.158 C=CCCNC(C)Cc1cnccn1 9c28506166a67426782a898493d49d1d [0,0,0,0,0,0|3,0,1]=4 40 B14R1.158 C=CCCOC(C)Cc1ccccc1 98d036d8f4ae0f6ea498fd0b8d6a0023 [0,0,0,0,0,0|2,0,1]=3 41 B14R1.158 C=CCCOC(C)Cc1ccccn1 09a9a0112a4596f3399bf8e998de58b7 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.158 C=CCCO[C@@H](C)Cc1ccccc1 4144f0004c1877d5a068e80c3594a117 [0,0,0,0,0,0|2,0,1]=3 43 B14R1.158 C=CCCO[C@H](C)Cc1ccccc1 e260d662132aa40560ba0f5b6ba1f0ae [0,0,0,0,0,0|2,0,1]=3 44 B14R1.158 C=CCOCC(C)Cc1ccccc1 4c144c8f00d12c74f238b6a16729c007 [0,0,0,0,0,0|3,0,1]=4 45 B14R1.158 CC(CNCC#N)Oc1ccccc1 956a907a7937d144ef0944679efeaf8a [0,0,0,0,0,0|3,0,0]=3 46 B14R1.158 CC(CNCC#N)Oc1cccnc1 b6b94ccdd3319e65fa230fd52c1a875a [0,0,0,0,0,0|4,0,0]=4 47 B14R1.158 CC(COCC#N)Cc1ccccc1 c6e2e3963be8d500345b6c56ea4e5980 [0,0,0,0,0,0|2,0,0]=2 48 B14R1.158 CC(COCC#N)Oc1ccccc1 6de06490665f0adb7a067562b9523046 [0,0,0,0,0,0|3,0,0]=3 49 B14R1.158 CC(COCC=O)Cc1ccccc1 e72abb66c71982d3fb57ef2124b65827 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.158 CC(COCCF)Cc1ccccc1 44a5b18b7cd5e69c2d155ee5ae54cc17 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.158 CC(COCCS)Cc1ccccc1 399b05e207a33485a92a3af04977c53c [0,0,0,0,0,0|3,0,1]=4 52 B14R1.158 CC(Cc1ccccc1)NCCCCl b21e6802ea33fc058ed5b68c54bcb71e [0,0,0,0,0,0|1,0,1]=2 53 B14R1.158 CC(Cc1ccccc1)OC/C=C/Cl 5f8981f0350cc6f29ee2c45c3171f890 [0,0,0,0,0,0|2,0,2]=4 54 B14R1.158 CC(Cc1ccccc1)OC/C=C\Cl 72a30a9ecfaffd6060647cc293fc76f5 [0,0,0,0,0,0|2,0,2]=4 55 B14R1.158 CC(Cc1ccccc1)OCCC#N 3b858c2f987ae49fa7ed342e3f3817ec [0,0,0,0,0,0|1,0,0]=1 56 B14R1.158 CC(Cc1ccccc1)OCCC=O 820085a7d287f050dd322fdd46f2d8ee [0,0,0,0,0,0|2,0,1]=3 57 B14R1.158 CC(Cc1ccccc1)OCCCF a8e228c4b067e51ca352c4c49cea33f0 [0,0,0,0,0,0|2,0,1]=3 58 B14R1.158 CC(Cc1ccccc1)OCSC#N 081bac47f42532c88b6e8bd99de5b0f6 [0,0,0,0,0,0|2,0,0]=2 59 B14R1.158 CC(Cc1ccccn1)NC/C=C/Cl 0af47928488963da42bc7bd0abc3ef26 [0,0,0,0,0,0|2,0,2]=4 60 B14R1.158 CC(Cc1ccccn1)NC/C=C\Cl f23b931c2a884368b9e11abbf7adbb67 [0,0,0,0,0,0|2,0,2]=4 61 B14R1.158 CC(Cc1ccccn1)NC/C=C\O 3084e69d194d86f89cf6e4f855118c6c [0,0,0,0,0,0|2,0,2]=4 62 B14R1.158 CC(Cc1ccccn1)NCCC#N 29bd764397211d5dc47e207700f867b0 [0,0,0,0,0,0|1,0,0]=1 63 B14R1.158 CC(Cc1ccccn1)NCCC=O 078273154fd99d09e69b89e0ea96606f [0,0,0,0,0,0|2,0,1]=3 64 B14R1.158 CC(Cc1ccccn1)NCCCF 6fb5a3d306e6d6a432d43eb4d6bf3d43 [0,0,0,0,0,0|2,0,1]=3 65 B14R1.158 CC(Cc1ccccn1)NCCCO 0805b14f75b7e317af2e2279a3e4c0d6 [0,0,0,0,0,0|2,0,1]=3 66 B14R1.158 CC(Cc1ccccn1)NCCCS 7da25b2cd0b447ac20d5f2e630e48c8c [0,0,0,0,0,0|2,0,1]=3 67 B14R1.158 CC(Cc1ccccn1)OCCC#N f50d0c81eef901e24a45fa7751661b64 [0,0,0,0,0,0|2,0,0]=2 68 B14R1.158 CC(Cc1ccccn1)OCCC=O 9ef8245dd6d95330d0a6789e506a8a75 [0,0,0,0,0,0|3,0,1]=4 69 B14R1.158 CC(Cc1ccccn1)OCCCF e6e8c59363855e38fa76d2949d4b526b [0,0,0,0,0,0|3,0,1]=4 70 B14R1.158 CC(Cc1ccccn1)OCCCS 6d581c3a9240d425a37adeb53706745a [0,0,0,0,0,0|3,0,1]=4 71 B14R1.158 CC(Cc1ccccn1)OCSC#N b614071b88588f5148b78705ce3d392a [0,0,0,0,0,0|3,0,0]=3 72 B14R1.158 CC(Cc1cccnc1)NC/C=C/Cl 142710a2cf6e7a610959318c245092a9 [0,0,0,0,0,0|2,0,2]=4 73 B14R1.158 CC(Cc1cccnc1)NC/C=C\Cl 60542c54d88d8b74ed83b1efaf23806e [0,0,0,0,0,0|2,0,2]=4 74 B14R1.158 CC(Cc1cccnc1)NC/C=C\O 1851cb7859aaa99eceaf6a47a9fef819 [0,0,0,0,0,0|2,0,2]=4 75 B14R1.158 CC(Cc1cccnc1)NCCC#N cc3a90fd71f14d13423769a3dfa21e9b [0,0,0,0,0,0|1,0,0]=1 76 B14R1.158 CC(Cc1cccnc1)NCCC=O c8c02264ed1af3e1af7303c36c519372 [0,0,0,0,0,0|2,0,1]=3 77 B14R1.158 CC(Cc1cccnc1)NCCCF f723327a54c98d35d380172d495429a7 [0,0,0,0,0,0|2,0,1]=3 78 B14R1.158 CC(Cc1cccnc1)NCCCO 06e129e0a4cdae4793f7740817378bde [0,0,0,0,0,0|2,0,1]=3 79 B14R1.158 CC(Cc1cccnc1)NCCCS 14aea9a45b247aa95e6df6982b692cd4 [0,0,0,0,0,0|2,0,1]=3 80 B14R1.158 CC(Cc1ccncc1)NC/C=C/Cl 17d52e34134343926b51cb1035f78b31 [0,0,0,0,0,0|2,0,2]=4 81 B14R1.158 CC(Cc1ccncc1)NC/C=C\Cl ca0b1e24617006b611d20656c0e39c3f [0,0,0,0,0,0|2,0,2]=4 82 B14R1.158 CC(Cc1ccncc1)NC/C=C\O 28b99203fdf006b15169e1e01dc56355 [0,0,0,0,0,0|2,0,2]=4 83 B14R1.158 CC(Cc1ccncc1)NCCC#N 8dfa99e229fc8002253ad1b373df9d9c [0,0,0,0,0,0|1,0,0]=1 84 B14R1.158 CC(Cc1ccncc1)NCCC=O e0a66c83776191042f4423b8d2e54514 [0,0,0,0,0,0|2,0,1]=3 85 B14R1.158 CC(Cc1ccncc1)NCCCF c935407ad98c7102dbd797952896c66b [0,0,0,0,0,0|2,0,1]=3 86 B14R1.158 CC(Cc1ccncc1)NCCCO dc815798ffb5f761e1166564d722a387 [0,0,0,0,0,0|2,0,1]=3 87 B14R1.158 CC(Cc1ccncc1)NCCCS b59d829fe19883423a74effd374fac48 [0,0,0,0,0,0|2,0,1]=3 88 B14R1.158 CC(Cc1cnccn1)NCCC#N 5327a892d8594f8897b6ce416f8c9e36 [0,0,0,0,0,0|2,0,0]=2 89 B14R1.158 CC(Cc1cnccn1)NCCC=O 16a2f2b6d4fdb52677a7c59a4ad74c5a [0,0,0,0,0,0|3,0,1]=4 90 B14R1.158 CC(Cc1cnccn1)NCCCF f42e49880d5130b75f9fe7be4309070e [0,0,0,0,0,0|3,0,1]=4 91 B14R1.158 CC(Cc1cnccn1)NCCCO f71eea47f722f0af6ee2794cf2477a7a [0,0,0,0,0,0|3,0,1]=4 92 B14R1.158 CC(Cc1cnccn1)NCCCS 8a2638c7c6cce771af3b41a654908648 [0,0,0,0,0,0|3,0,1]=4 93 B14R1.158 CC(Cc1cnccn1)OCCC#N 8f75c8b0c57fb81f50d053a52b22564a [0,0,0,0,0,0|3,0,0]=3 94 B14R1.158 CC(Cc1cnccn1)OCSC#N 5c7f17a4a4769adc19393e046ab8edf2 [0,0,0,0,0,0|4,0,0]=4 95 B14R1.158 CC=CCNC(C)Cc1ccccc1 68190deac38f5c6b60d561d66d9a5458 [0,0,0,0,0,0|1,0,2]=3 96 B14R1.158 CCCCCC(C)Nc1ccccc1 187d497381509adc4282e175bd8e2c9b [0,0,0,0,0,0|3,0,1]=4 97 B14R1.158 CCCCCN(C)Cc1ccccc1 b48e8dc08c544e035c3ea41bcc93daab [0,0,0,0,0,0|3,0,1]=4 98 B14R1.158 CCCCC[C@H](C)Nc1ccccc1 d51008b49cefd983456b704de520d571 [0,0,0,0,0,0|3,0,1]=4 99 B14R1.158 CCCCNC(C)Cc1ccccc1 3b7762a1c6f5672e948978257da74303 [0,0,0,0,0,0|1,0,1]=2 100 B14R1.158 CCCCNC(C)Cc1ccccn1 35af33220b287d6f111031c5bcf8f56c [0,0,0,0,0,0|2,0,1]=3 101 B14R1.158 CCCCNC(C)Cc1cccnc1 5bcb4cbd55010faafa746c4608b5b9ea [0,0,0,0,0,0|2,0,1]=3 102 B14R1.158 CCCCNC(C)Cc1ccncc1 cd4ce1d3cc0db21aecfa439449587ce5 [0,0,0,0,0,0|2,0,1]=3 103 B14R1.158 CCCCNC(C)Cc1cnccn1 19728f5bc0c5271594018cdb84487cc3 [0,0,0,0,0,0|3,0,1]=4 104 B14R1.158 CCCCOC(C)Cc1ccccc1 ab2153c7f8fcb0a3310f8e600a703606 [0,0,0,0,0,0|2,0,1]=3 105 B14R1.158 CCCCOC(C)Cc1ccccn1 07b1b11ab17087d1b4f4ddfe5c8f4c0e [0,0,0,0,0,0|3,0,1]=4 106 B14R1.158 CCCCO[C@@H](C)Cc1ccccc1 6b645a8cf4c63a24eab209bb7c81a41e [0,0,0,0,0,0|2,0,1]=3 107 B14R1.158 CCCCO[C@H](C)Cc1ccccc1 3996e896c87535b72ac364442e7c8d2b [0,0,0,0,0,0|2,0,1]=3 108 B14R1.158 CCOCNC(C)Cc1ccccn1 017a48166c11a6b56c5e5bd297c0ca74 [0,0,0,0,0,0|3,0,1]=4 109 B14R1.158 CCOCNC(C)Cc1cccnc1 b239866cb258d0044087942b5abeea62 [0,0,0,0,0,0|3,0,1]=4 110 B14R1.158 CCOCNC(C)Cc1ccncc1 99c725692bc02c768677a7069c896243 [0,0,0,0,0,0|3,0,1]=4 111 B14R1.158 CN(CC=CC#N)Cc1ccccc1 971cb04cfe32cc0d53862fd6dc4bd6d3 [0,0,0,0,0,0|2,0,2]=4 112 B14R1.158 CN(CCCC#N)Cc1ccccc1 60dc2f33419a2bc089297ec317f05f19 [0,0,0,0,0,0|2,0,0]=2 113 B14R1.158 CN(CCCC#N)Cc1ccccn1 8ad3b4d5b7892f67f47ce2e8fb89f893 [0,0,0,0,0,0|3,0,0]=3 114 B14R1.158 CN(CCCC#N)Cc1cccnc1 9c8a84413831e4083a77abc59914e9a3 [0,0,0,0,0,0|3,0,0]=3 115 B14R1.158 CN(CCCC#N)Cc1ccncc1 747dae3a3f0f880fb33f56cb4a046725 [0,0,0,0,0,0|3,0,0]=3 116 B14R1.158 CN(CCCC#N)Cc1ccnnc1 c3a2351a8669afd26d399ec2fc6f4775 [0,0,0,0,0,0|4,0,0]=4 117 B14R1.158 CN(CCCC#N)Cc1cnccn1 baf11dd3f1f1c7cc7f24b61dcf38ccdb [0,0,0,0,0,0|4,0,0]=4 118 B14R1.158 CN(CCCC#N)Cc1cncnc1 9af485662fc767445695eb36c36d837a [0,0,0,0,0,0|4,0,0]=4 119 B14R1.158 CN(CCCC#N)Cc1ncccn1 5f85a9a8360df618cf9a276070fa747b [0,0,0,0,0,0|4,0,0]=4 120 B14R1.158 CN(CCCC=O)Cc1ccccc1 c05b1788060e4d333711f979d502c183 [0,0,0,0,0,0|3,0,1]=4 121 B14R1.158 CN(CCCCF)Cc1ccccc1 23eec8dcebc1fd695d5cc42a69c21f8d [0,0,0,0,0,0|3,0,1]=4 122 B14R1.158 CN(CCCCO)Cc1ccccc1 da36ef5fc39b9d1640d12f9f86e0ad2c [0,0,0,0,0,0|3,0,1]=4 123 B14R1.158 CN(CCNC#N)Cc1ccccc1 b49463dab6f8364b04a2723bb7f9cbff [0,0,0,0,0,0|3,0,0]=3 124 B14R1.158 COCCCN(C)Cc1ccccc1 30f3c87614f9f69e803c24fa7945cc86 [0,0,0,0,0,0|4,0,0]=4 125 B14R1.158 COCCNC(C)Cc1ccccn1 c1371fd38666b4b3ca38237bc995116c [0,0,0,0,0,0|3,0,0]=3 126 B14R1.158 COCCNC(C)Cc1cccnc1 f41aabac49c10540eca047f69b5cfc35 [0,0,0,0,0,0|3,0,0]=3 127 B14R1.158 COCCNC(C)Cc1ccncc1 1b99751481c6d65c62361e4b6ec33890 [0,0,0,0,0,0|3,0,0]=3 128 B14R1.158 COCCNC(C)Cc1cnccn1 94998c836316efdb9b61ffa2d1887767 [0,0,0,0,0,0|4,0,0]=4 129 B14R1.158 COCCOC(C)Cc1ccccc1 d6123c0db870a6320e14a638166d2950 [0,0,0,0,0,0|3,0,0]=3 130 B14R1.158 COCCOC(C)Cc1ccccn1 b330c112441c95de83f1991aa001d029 [0,0,0,0,0,0|4,0,0]=4 131 B14R1.158 COCCO[C@@H](C)Cc1ccccc1 44f003f1e6261c4097935df961a09496 [0,0,0,0,0,0|3,0,0]=3 132 B14R1.158 COCCO[C@H](C)Cc1ccccc1 3abc1875c25d75dea5d89420e617d714 [0,0,0,0,0,0|3,0,0]=3 133 B14R1.158 CSCCCN(C)Cc1ccccc1 a753c339a7dfd8ded2e94e77b9db20d6 [0,0,0,0,0,0|4,0,0]=4 134 B14R1.158 CSCCNC(C)Cc1ccccn1 e9515763172c0ebaf6c088ecebb0ab80 [0,0,0,0,0,0|3,0,0]=3 135 B14R1.158 CSCCNC(C)Cc1cccnc1 a2095c8ccd54699f498a09061144f1a7 [0,0,0,0,0,0|3,0,0]=3 136 B14R1.158 CSCCNC(C)Cc1ccncc1 391149cda5cd9297af4e4fd6cd2eae41 [0,0,0,0,0,0|3,0,0]=3 137 B14R1.158 CSCCNC(C)Cc1cnccn1 0b8c12e88fcb5979063ca12f6c2226e0 [0,0,0,0,0,0|4,0,0]=4 138 B14R1.158 CSCCOC(C)Cc1ccccc1 5ad3a19da1297e248a36b0f74800c53a [0,0,0,0,0,0|3,0,0]=3 139 B14R1.158 CSCCOC(C)Cc1ccccn1 91ad99162490183e253f3afa5c5dcbb3 [0,0,0,0,0,0|4,0,0]=4 140 B14R1.158 CSCCO[C@@H](C)Cc1ccccc1 35417cfb8c91b9109af3a434d8887f6d [0,0,0,0,0,0|3,0,0]=3 141 B14R1.158 CSCCO[C@H](C)Cc1ccccc1 b232966774caad62136f358071c961e2 [0,0,0,0,0,0|3,0,0]=3 142 B14R1.158 CSCOCC(C)Cc1ccccc1 b1357eef43d562ae06a1aade5bda1832 [0,0,0,0,0,0|4,0,0]=4 143 B14R1.158 C[C@@H](COCC#N)Oc1ccccc1 5ba9c743cf475f76c862b4d1d4ac14c7 [0,0,0,0,0,0|3,0,0]=3 144 B14R1.158 C[C@@H](Cc1ccccc1)OC/C=C/Cl b7f6e6d4f843309b8fff7008343480d3 [0,0,0,0,0,0|2,0,2]=4 145 B14R1.158 C[C@@H](Cc1ccccc1)OC/C=C\Cl 9755e260e84e382dd330a06992c2cb61 [0,0,0,0,0,0|2,0,2]=4 146 B14R1.158 C[C@@H](Cc1ccccc1)OCCC#N 400bd27cab656dd17ad53b205b06bfda [0,0,0,0,0,0|1,0,0]=1 147 B14R1.158 C[C@@H](Cc1ccccc1)OCCC=O 2a970c48eca7c62f7512345603ecce42 [0,0,0,0,0,0|2,0,1]=3 148 B14R1.158 C[C@@H](Cc1ccccc1)OCCCF 8eaa8938db7492319b9e522d2ff72f1e [0,0,0,0,0,0|2,0,1]=3 149 B14R1.158 C[C@@H](Cc1ccccc1)OCSC#N 0838a50e5aacbfd7bdedebe7a02b05a0 [0,0,0,0,0,0|2,0,0]=2 150 B14R1.158 C[C@H](Cc1ccccc1)OC/C=C/Cl ee4364dbf2c5e87ebaf79494ec50a555 [0,0,0,0,0,0|2,0,2]=4 151 B14R1.158 C[C@H](Cc1ccccc1)OC/C=C\Cl 474645ee39785af5e67ef656499cbd2d [0,0,0,0,0,0|2,0,2]=4 152 B14R1.158 C[C@H](Cc1ccccc1)OCCC#N bdcfe5c3a49e1c0f968a9462ed0b1d89 [0,0,0,0,0,0|1,0,0]=1 153 B14R1.158 C[C@H](Cc1ccccc1)OCCC=O 32077b05e5fbd84f7c44215685fee78f [0,0,0,0,0,0|2,0,1]=3 154 B14R1.158 C[C@H](Cc1ccccc1)OCCCF 4a703c682c984cfa51105e34a05dbf1d [0,0,0,0,0,0|2,0,1]=3 155 B14R1.158 C[C@H](Cc1ccccc1)OCSC#N e3610eb69008b899b0a128fa33deba3b [0,0,0,0,0,0|2,0,0]=2 156 B14R1.158 N#CCCCC(=O)Nc1ccccc1 a1b1fa6309ac96080847f0c848bc0359 [0,0,0,0,0,0|3,0,1]=4 157 B14R1.158 N#CCCNC(=O)Cc1ccccn1 7e4c8c7c19361d9353c201755ac3c2fa [0,0,0,0,0,0|2,0,1]=3 158 B14R1.158 N#CCCNC(=O)Cc1cccnc1 1250793d87bfc7fe62b219ea72f0caa6 [0,0,0,0,0,0|2,0,1]=3 159 B14R1.158 N#CCCNC(=O)Cc1ccncc1 d008631dc1c684b1a36eee6d08b4644d [0,0,0,0,0,0|2,0,1]=3 160 B14R1.158 N#CCCNC(=O)Cc1ccncn1 ee41caa41dec824e52ba1e06f8b9b1d9 [0,0,0,0,0,0|3,0,1]=4 161 B14R1.158 N#CCCNC(=O)Cc1cnccn1 276e58a2120ff55ba3ed003173d6508c [0,0,0,0,0,0|3,0,1]=4 162 B14R1.158 N#CCCNC(=O)Cc1cncnc1 7022d7a6bc707e137492ebbf59605e13 [0,0,0,0,0,0|3,0,1]=4 163 B14R1.158 N#CCCNC(=O)Cc1ncccn1 e60c27a174cec261adb7ad31de2f27b3 [0,0,0,0,0,0|3,0,1]=4 164 B14R1.158 N#CCCNC(=O)Nc1cccnc1 7dc84a53789f84173b934f8abc3456fd [0,0,0,0,0,0|3,0,1]=4 165 B14R1.158 N#CCCNC(=O)Nc1ccncc1 ac6d261672389560b75c0b1f9b71598d [0,0,0,0,0,0|3,0,1]=4 166 B14R1.158 N#CCCNC(=S)Nc1ccccc1 1d9516c0981da8fbe6785851061d68e8 [0,0,0,0,0,0|2,0,1]=3 167 B14R1.158 N#CCCNC(=S)Nc1ccccn1 c03c4627d98b08d3c67cb587683caf43 [0,0,0,0,0,0|3,0,1]=4 168 B14R1.158 N#CCCNC(=S)Nc1cccnc1 d746bbec7633f2c414e74a09b95da11b [0,0,0,0,0,0|3,0,1]=4 169 B14R1.158 N#CCCNC(=S)Nc1ccncc1 fecb4761a8efb993b12d772b74f404ab [0,0,0,0,0,0|3,0,1]=4 170 B14R1.158 N#CCNCC(=O)Cc1ccccc1 39f625764c1c415d924af150ee3afc8f [0,0,0,0,0,0|3,0,1]=4 171 B14R1.158 N#CCNCC(O)Cc1ccccc1 b68ad95a3ab7de3caaac8fe08637c26e [0,0,0,0,0,0|3,0,0]=3 172 B14R1.158 N#CCOCC(=O)Cc1ccccc1 573dff54379c6e8f21feb552efe4335b [0,0,0,0,0,0|3,0,1]=4 173 B13R1.28 C#CCCCCNc1ccccc1 59cf6929ff72a0b75b32776dbcc4b29c [1,0,0,0,0,0|3,0,0]=4 174 B13R1.28 C#CCCCNCc1ccccc1 4837778bf57f0f007311ca79aeaf2798 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.28 C#CCCCOCc1ccccc1 7935093ccb44f98e6ed4bb43a138ee68 [1,0,0,0,0,0|3,0,0]=4 176 B13R1.28 C#CCCNCCc1ccccc1 ba4e6142b00f25f1120c157b0e091968 [1,0,0,0,0,0|1,0,0]=2 177 B13R1.28 C#CCCNCCc1ccccn1 9aed18edb088cceda10fc44a3a21f70c [1,0,0,0,0,0|2,0,0]=3 178 B13R1.28 C#CCCNCCc1cccnc1 2603d4468f124af122bba4ae9988945a [1,0,0,0,0,0|2,0,0]=3 179 B13R1.28 C#CCCNCCc1ccncc1 4bbb46a8f788f9bda1fb3d37be8acbdd [1,0,0,0,0,0|2,0,0]=3 180 B13R1.28 C#CCCNCCc1ccncn1 0c55a11a3189b541e886a1b4baf80278 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.28 C#CCCNCCc1cnccn1 461ad0dbc23266fb6646e1c39f634886 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.28 C#CCCNCCc1ncccn1 7fc875675a129d920553d8679b8cc681 [1,0,0,0,0,0|3,0,0]=4 183 B13R1.28 C#CCCOCCc1ccccc1 2473fb5b9492389aba998db0130cdb05 [1,0,0,0,0,0|2,0,0]=3 184 B13R1.28 C#CCCOCCc1ccccn1 75dbfd0f0ea437c67afd53f8572f5d92 [1,0,0,0,0,0|3,0,0]=4 185 B13R1.28 C#CCCOCCc1cccnc1 1b434f172aad23ee37188f5d99c30a4e [1,0,0,0,0,0|3,0,0]=4 186 B13R1.28 C#CCCOCCc1ccncc1 0ce3f85268bf7af9f58f8c7af7be89c3 [1,0,0,0,0,0|3,0,0]=4 187 B13R1.28 C#CCNCCCc1ccccc1 6acacfaec246091e6f551f07310acae1 [1,0,0,0,0,0|3,0,0]=4 188 B13R1.28 C#CCOCCCc1ccccc1 29ba9ed7b869d71a88e4046e21db6d22 [1,0,0,0,0,0|3,0,0]=4 189 B13R1.28 C/C=C/CNCCc1ccccc1 8ab93d592e75368b33e0c84307ec6acf [1,0,0,0,0,0|1,0,2]=4 190 B13R1.28 C/C=C\CNCCc1ccccc1 ccc17e854afc1e38f1474c2c8240832c [1,0,0,0,0,0|1,0,2]=4 191 B13R1.28 C=CCCNCCc1ccccc1 1bee2ece4dbc08762090f3ec21103a73 [1,0,0,0,0,0|1,0,1]=3 192 B13R1.28 C=CCCNCCc1ccccn1 a04f1f2fd606729b0e5f5cb83f5c7b09 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.28 C=CCCNCCc1cccnc1 ccd3c265c9d71ca4268146852942a06a [1,0,0,0,0,0|2,0,1]=4 194 B13R1.28 C=CCCNCCc1ccncc1 6d49259d401a25275a163b251d7c7c0a [1,0,0,0,0,0|2,0,1]=4 195 B13R1.28 C=CCCNCSc1ccccc1 7d12dd170c531d70e4fbbe8bcd6604c5 [1,0,0,0,0,0|2,0,1]=4 196 B13R1.28 C=CCCOCCc1ccccc1 ed89b0fdfd623bafacd1b7e12b445391 [1,0,0,0,0,0|2,0,1]=4 197 B13R1.28 CC#CCNCCc1ccccc1 3200d428941e231d1c02fdfdd15f937b [1,0,0,0,0,0|1,0,1]=3 198 B13R1.28 CC#CCNCCc1ccccn1 aefe3b08d1ce7308826797462978cb18 [1,0,0,0,0,0|2,0,1]=4 199 B13R1.28 CC#CCNCCc1cccnc1 e03f411b774576a190e6d87cef8c914b [1,0,0,0,0,0|2,0,1]=4 200 B13R1.28 CC#CCNCCc1ccncc1 a5489666d49027e805b54fc30afb79ef [1,0,0,0,0,0|2,0,1]=4 201 B13R1.28 CC#CCOCCc1ccccc1 8be36d9d37581ff09656d51c03d46024 [1,0,0,0,0,0|2,0,1]=4 202 B13R1.28 CC=CCNCCc1ccccc1 2ec03ba54d73acb5a097cf711f5d1973 [1,0,0,0,0,0|1,0,2]=4 203 B13R1.28 CCCCNCCc1ccccc1 0109fb426bf3ff59afa8f634257d80f2 [1,0,0,0,0,0|1,0,1]=3 204 B13R1.28 CCCCNCCc1ccccn1 6fa0337fac491ba903a4185efc251d57 [1,0,0,0,0,0|2,0,1]=4 205 B13R1.28 CCCCNCCc1cccnc1 458045a7155983806741ceffb93e3916 [1,0,0,0,0,0|2,0,1]=4 206 B13R1.28 CCCCNCCc1ccncc1 7e2b41101486e3e923459c5f5e15840b [1,0,0,0,0,0|2,0,1]=4 207 B13R1.28 CCCCOCCc1ccccc1 9579249358ed59a0332ebffafb432191 [1,0,0,0,0,0|2,0,1]=4 208 B13R1.28 CCOCNCCc1ccccc1 fd2bb8bab8f3f676911889def8b946c8 [1,0,0,0,0,0|2,0,1]=4 209 B13R1.28 COCCNCCc1ccccc1 61123cdd1ab457a4a47f92c1a737f6db [1,0,0,0,0,0|2,0,0]=3 210 B13R1.28 COCCNCCc1ccccn1 e471ba0a0ad542968e72d36be76605b8 [1,0,0,0,0,0|3,0,0]=4 211 B13R1.28 COCCNCCc1cccnc1 b72f4f5b9a0e47b0f79d0057c209e043 [1,0,0,0,0,0|3,0,0]=4 212 B13R1.28 COCCNCCc1ccncc1 7af66b49ba64920abc41d94715a089ea [1,0,0,0,0,0|3,0,0]=4 213 B13R1.28 COCCNCSc1ccccc1 cc582b84bbc458216ef1894e27b28213 [1,0,0,0,0,0|3,0,0]=4 214 B13R1.28 COCCOCCc1ccccc1 ff280801e717a5a4b5f2fea2891e4059 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.28 CSCCNCCc1ccccc1 50681d35aa3eb6d4193e75f1dabcea2b [1,0,0,0,0,0|2,0,0]=3 216 B13R1.28 CSCCNCCc1ccccn1 8ecd32cc6d00ec34f8354a78b2f3c7ab [1,0,0,0,0,0|3,0,0]=4 217 B13R1.28 CSCCNCCc1cccnc1 9149cbf55fe87277e4d3b746b1d36fb8 [1,0,0,0,0,0|3,0,0]=4 218 B13R1.28 CSCCNCCc1ccncc1 70b15fd1c559591e72ef3cabb4afe57a [1,0,0,0,0,0|3,0,0]=4 219 B13R1.28 CSCCOCCc1ccccc1 a603d09f08b3e7c6ef1792818cc41cff [1,0,0,0,0,0|3,0,0]=4 220 B13R1.28 Cl/C=C/CNCCc1ccccc1 b1d5bd8978f7efe4e3d0739b21d63c61 [1,0,0,0,0,0|1,0,2]=4 221 B13R1.28 Cl/C=C\CNCCc1ccccc1 0d4def67da5feb1d4ade31cee20e974b [1,0,0,0,0,0|1,0,2]=4 222 B13R1.28 ClCCCNCCc1ccccc1 349b7a4cba969454c0cc0360422f4783 [1,0,0,0,0,0|1,0,1]=3 223 B13R1.28 ClCCCNCCc1ccccn1 992a1675a2be4244f661d85cbb3c8d00 [1,0,0,0,0,0|2,0,1]=4 224 B13R1.28 ClCCCNCCc1cccnc1 d333ae59124a4950d2c630166ea1255e [1,0,0,0,0,0|2,0,1]=4 225 B13R1.28 ClCCCNCCc1ccncc1 dd0d05efa70b31f5ab383db4ddde2c73 [1,0,0,0,0,0|2,0,1]=4 226 B13R1.28 ClCCCNCSc1ccccc1 c4987a1f7d5e366dd70c1195d64438ab [1,0,0,0,0,0|2,0,1]=4 227 B13R1.28 FCCCNCCc1ccccc1 95a7ed67182daebf812f6a52f4983814 [1,0,0,0,0,0|1,0,1]=3 228 B13R1.28 FCCCNCCc1ccccn1 89a34315068f25b48a9ba4774efcb912 [1,0,0,0,0,0|2,0,1]=4 229 B13R1.28 FCCCNCCc1cccnc1 9716c16da0fc154a446d44ea6c9cc4aa [1,0,0,0,0,0|2,0,1]=4 230 B13R1.28 FCCCNCCc1ccncc1 fe9d05fa9f0858fc6a6aef379be6a2a0 [1,0,0,0,0,0|2,0,1]=4 231 B13R1.28 FCCCOCCc1ccccc1 310cdeaa04912c9fbd1c7026a24a1ed3 [1,0,0,0,0,0|2,0,1]=4 232 B13R1.28 IC#CCOCCc1ccccc1 3f76bf54fbc474a2b8d5da5028bceae2 [1,0,0,0,0,0|2,0,1]=4 233 B13R1.28 N#CCCCCNc1ccccc1 8593f09a2565182c2d625e83d98380c1 [1,0,0,0,0,0|2,0,0]=3 234 B13R1.28 N#CCCCCNc1ccccn1 a96c0fcb0437de4a150cd5ebb31150db [1,0,0,0,0,0|3,0,0]=4 235 B13R1.28 N#CCCCCNc1cccnc1 bc2bcbef989bb725d97416d47cdebaf4 [1,0,0,0,0,0|3,0,0]=4 236 B13R1.28 N#CCCCCNc1ccncc1 3cca2de73512e93b9811e445e704f312 [1,0,0,0,0,0|3,0,0]=4 237 B13R1.28 N#CCCCCOc1ccccn1 2fbf8329b93e2a45d8cafdb42d4bb937 [1,0,0,0,0,0|3,0,0]=4 238 B13R1.28 N#CCCCCOc1cccnc1 312096bea31c3e3e38ef54ea687f1846 [1,0,0,0,0,0|3,0,0]=4 239 B13R1.28 N#CCCCCOc1ccncc1 2b3a2d2f90528a04ad802f49fbeb3582 [1,0,0,0,0,0|3,0,0]=4 240 B13R1.28 N#CCCCNCc1ccccc1 77412c7d6d12ca4d1eb7d36fe8cd26e6 [1,0,0,0,0,0|2,0,0]=3 241 B13R1.28 N#CCCCNCc1ccccn1 2812f7acc19844e3094c7896a09dca1b [1,0,0,0,0,0|3,0,0]=4 242 B13R1.28 N#CCCCNCc1cccnc1 3c35409679028bc6e44b7b8b2fdfc52d [1,0,0,0,0,0|3,0,0]=4 243 B13R1.28 N#CCCCNCc1ccncc1 3acfec256854fff6991e3a3ba2fc8de9 [1,0,0,0,0,0|3,0,0]=4 244 B13R1.28 N#CCCCOCc1ccccc1 ea084861e5e382cf83a2456567c11780 [1,0,0,0,0,0|2,0,0]=3 245 B13R1.28 N#CCCCOCc1ccccn1 60bb3c4fba3e576a2976768ac92ff5af [1,0,0,0,0,0|3,0,0]=4 246 B13R1.28 N#CCCCOCc1cccnc1 d47b29bf1789cd6bedb544a3d6b9fae8 [1,0,0,0,0,0|3,0,0]=4 247 B13R1.28 N#CCCCOCc1ccncc1 94d786c6af29f6c86431efeb88b8e986 [1,0,0,0,0,0|3,0,0]=4 248 B13R1.28 N#CCCNCCc1ccccc1 f7daf2393b63a57ad4ad95afe5b1a5f1 [1,0,0,0,0,0|0,0,0]=1 249 B13R1.28 N#CCCNCCc1ccccn1 d8be686ed80b9b4c7d54323d5b82e822 [1,0,0,0,0,0|1,0,0]=2 250 B13R1.28 N#CCCNCCc1cccnc1 e369c5262b470690123b5f389d1d27d6 [1,0,0,0,0,0|1,0,0]=2 251 B13R1.28 N#CCCNCCc1ccncc1 0bdec688110ec936eaa0f13e528850fa [1,0,0,0,0,0|1,0,0]=2 252 B13R1.28 N#CCCNCCc1ccncn1 62743e71dd8d6ff8ce6be9246e938bad [1,0,0,0,0,0|2,0,0]=3 253 B13R1.28 N#CCCNCCc1cnccn1 414398d662eb0934d6cc89241d3dbf07 [1,0,0,0,0,0|2,0,0]=3 254 B13R1.28 N#CCCNCCc1ncccn1 ae3eaae4783f20d41a2e0a109bc71f1b [1,0,0,0,0,0|2,0,0]=3 255 B13R1.28 N#CCCOCCc1ccccc1 b350e48b17731e24ef5c60f8e89fdbff [1,0,0,0,0,0|1,0,0]=2 256 B13R1.28 N#CCCOCCc1ccccn1 98b447ab70d123ab09679f49f4f99263 [1,0,0,0,0,0|2,0,0]=3 257 B13R1.28 N#CCCOCCc1cccnc1 acb27568ce577a0ae787849b9b3ac109 [1,0,0,0,0,0|2,0,0]=3 258 B13R1.28 N#CCCOCCc1ccncc1 c489def88996cfc3f14f1feaeb9d2a51 [1,0,0,0,0,0|2,0,0]=3 259 B13R1.28 N#CCCOCCc1ccncn1 18c51926cffaf8173e12793bc93cde24 [1,0,0,0,0,0|3,0,0]=4 260 B13R1.28 N#CCCOCCc1cnccn1 55c672e9ef9007d0790e5247f138251a [1,0,0,0,0,0|3,0,0]=4 261 B13R1.28 N#CCCOCCc1cncnc1 d918a6d94b746c626ceecf2f91feaf11 [1,0,0,0,0,0|3,0,0]=4 262 B13R1.28 N#CCCOCCc1ncccn1 a773313a03bed346bcccfa1c37f05681 [1,0,0,0,0,0|3,0,0]=4 263 B13R1.28 N#CCNCCCc1ccccc1 5d731191cf3d9baf15af1436a889a88f [1,0,0,0,0,0|2,0,0]=3 264 B13R1.28 N#CCNCCCc1ccccn1 6413eb4231f0d76a5d450ad26066f17d [1,0,0,0,0,0|3,0,0]=4 265 B13R1.28 N#CCNCCCc1cccnc1 1ff2d19504f484383149ab6f41749f63 [1,0,0,0,0,0|3,0,0]=4 266 B13R1.28 N#CCNCCCc1ccncc1 f85b9300cfcfe668a0fd44355c4d726b [1,0,0,0,0,0|3,0,0]=4 267 B13R1.28 N#CCNCCOc1ccccc1 c675a78d167d0b16a167173f094bf1fd [1,0,0,0,0,0|3,0,0]=4 268 B13R1.28 N#CCNCOCc1ccccc1 0f0d410ae31b8a632af27b324c99cfff [1,0,0,0,0,0|3,0,0]=4 269 B13R1.28 N#CCOCCCc1ccccc1 e90a1750a8c4e1a2c43c555ea5f33be7 [1,0,0,0,0,0|2,0,0]=3 270 B13R1.28 N#CCOCCCc1ccccn1 e18bff69145689bf1c7cd0711acfe64f [1,0,0,0,0,0|3,0,0]=4 271 B13R1.28 N#CCOCCCc1cccnc1 6db039b028d4a49e377aac25e4a3c984 [1,0,0,0,0,0|3,0,0]=4 272 B13R1.28 N#CCOCCCc1ccncc1 05d0f2b457f58a3f63bf2a6084beaa57 [1,0,0,0,0,0|3,0,0]=4 273 B13R1.28 N#CCOCCNc1ccccc1 f45a64c558a79a3f523068fccbf1c851 [1,0,0,0,0,0|3,0,0]=4 274 B13R1.28 N#CCOCCOc1ccccc1 e1df92581cf110356b4840f4efadfa40 [1,0,0,0,0,0|3,0,0]=4 275 B13R1.28 N#CCOCCSc1ccccc1 2526b249a3e042462681ed2359ad1b75 [1,0,0,0,0,0|3,0,0]=4 276 B13R1.28 N#CNCCCCc1ccccc1 a68d17f854d0e8f8c9cc287339ef2efe [1,0,0,0,0,0|2,0,0]=3 277 B13R1.28 N#CNCCCCc1ccncc1 8bf2efb759af8034e1f7b05f87f47456 [1,0,0,0,0,0|3,0,0]=4 278 B13R1.28 N#CNCCCOc1ccccc1 317057991258ee70663fff990708ed8d [1,0,0,0,0,0|3,0,0]=4 279 B13R1.28 N#CNCCCSc1ccccc1 755c5b6ed33ab10197ef389fb020c300 [1,0,0,0,0,0|3,0,0]=4 280 B13R1.28 N#CNCCOCc1ccccc1 a7c66f44594e6dd3b30893bc3fff9183 [1,0,0,0,0,0|3,0,0]=4 281 B13R1.28 N#CNCCSCc1ccccc1 664adc2464153998426499ea005654d0 [1,0,0,0,0,0|3,0,0]=4 282 B13R1.28 N#CSCNCCc1ccccc1 3b27eca94496c6dd24e9054d3b8c9cdc [1,0,0,0,0,0|1,0,0]=2 283 B13R1.28 N#CSCNCCc1cccnc1 ed2a40c1318e4a3be82d945b7827e65e [1,0,0,0,0,0|2,0,0]=3 284 B13R1.28 N#CSCNCCc1ccncc1 bd98517af84e4f59bbcaf252c25c2f6c [1,0,0,0,0,0|2,0,0]=3 285 B13R1.28 N#CSCNCCc1cnccn1 69f8e0c87463ca9915bf5e0a3be38551 [1,0,0,0,0,0|3,0,0]=4 286 B13R1.28 N#CSCNCCc1ncccn1 104ba35059b339f11f7ef2c4db82e91c [1,0,0,0,0,0|3,0,0]=4 287 B13R1.28 N#CSCOCCc1ccccc1 30da5c984ce86b479c6a6f7d6bd8022e [1,0,0,0,0,0|2,0,0]=3 288 B13R1.28 N#CSCOCCc1ccccn1 5d7c392421d50686e167331e9c809224 [1,0,0,0,0,0|3,0,0]=4 289 B13R1.28 N#CSCOCCc1cccnc1 7e9241a8f861db932e8bad5da545cebb [1,0,0,0,0,0|3,0,0]=4 290 B13R1.28 N#CSCOCCc1ccncc1 61a8849f84953182c46556f4a7b62d56 [1,0,0,0,0,0|3,0,0]=4 291 B13R1.28 NOCCNCCc1ccccc1 1fa151c595d76f621ab442c26b407574 [1,0,0,0,0,0|1,0,1]=3 292 B13R1.28 NOCCNCCc1ccccn1 01a89099ed5373e5e721267a0a66617c [1,0,0,0,0,0|2,0,1]=4 293 B13R1.28 NOCCNCCc1cccnc1 75648b76fb46c5c1fd2b90539fad9b69 [1,0,0,0,0,0|2,0,1]=4 294 B13R1.28 NOCCNCCc1ccncc1 2c9ab1fe2fbcbf7ddaff4fe4fcba604a [1,0,0,0,0,0|2,0,1]=4 295 B13R1.28 NOCCNCSc1ccccc1 5a683a966404fa4ce0b82c89155e114d [1,0,0,0,0,0|2,0,1]=4 296 B13R1.28 O/C=C\CNCCc1ccccc1 f14d3de74793ec0364a847d484823de1 [1,0,0,0,0,0|1,0,2]=4 297 B13R1.28 O=CCCNCCc1ccccc1 db436ebf21453a036c7b2655a16faa3b [1,0,0,0,0,0|1,0,1]=3 298 B13R1.28 O=CCCNCCc1ccccn1 3c93ffaee4845ac46fd724c24ac6159a [1,0,0,0,0,0|2,0,1]=4 299 B13R1.28 O=CCCNCCc1cccnc1 5bb4efe293b342fd97515d2082f1c137 [1,0,0,0,0,0|2,0,1]=4 300 B13R1.28 O=CCCNCCc1ccncc1 d34a5a93431212fb554b11ac711bf27d [1,0,0,0,0,0|2,0,1]=4 301 B13R1.28 O=CCCOCCc1ccccc1 24102b35f760104c7b227800a2958db0 [1,0,0,0,0,0|2,0,1]=4 302 B13R1.28 OCCCNCCc1ccccc1 31cc75da7677f29e22dc021b342942ec [1,0,0,0,0,0|1,0,1]=3 303 B13R1.28 OCCCNCCc1ccccn1 32eb74507c7af0d621f6f4c1963e12c8 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.28 OCCCNCCc1cccnc1 99d401e61acd15a70b2dd43f063c8225 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.28 OCCCNCCc1ccncc1 8a316e9f1e4886d755cb853b24d0daab [1,0,0,0,0,0|2,0,1]=4 306 B13R1.28 OCCCNCSc1ccccc1 6a3191f18480470adae265289c4e8cfc [1,0,0,0,0,0|2,0,1]=4 307 B13R1.28 SCCCNCCc1ccccc1 c7daf13b73faf2c7a326ea218e199d72 [1,0,0,0,0,0|1,0,1]=3 308 B13R1.28 SCCCNCCc1ccccn1 e3dd9c74cf8c445fa6a7e2994eaecfc4 [1,0,0,0,0,0|2,0,1]=4 309 B13R1.28 SCCCNCCc1cccnc1 f390d28887680fe0fa9c074dba4be85e [1,0,0,0,0,0|2,0,1]=4 310 B13R1.28 SCCCNCCc1ccncc1 c1c70dd5e1a573bffe3650bcb49873d9 [1,0,0,0,0,0|2,0,1]=4 311 B13R1.28 SCCCOCCc1ccccc1 de0b15ea71e4523c7421e65f8c83011e [1,0,0,0,0,0|2,0,1]=4 312 B13R1.44 C#CCCN(C)Cc1ccccc1 d94e07beabeb3addf4e1f9564bcfae7b [1,0,0,0,0,0|2,0,0]=3 313 B13R1.44 C#CCCN(C)Cc1ccccn1 bb849a8b56eca3f42cb6cfed9c8a4f6e [1,0,0,0,0,0|3,0,0]=4 314 B13R1.44 C#CCCN(C)Cc1cccnc1 4e875ef1cbc42ea00c7e30ef6933f75b [1,0,0,0,0,0|3,0,0]=4 315 B13R1.44 C#CCCN(C)Cc1ccncc1 df1830f5e035587ed535e938939de8b5 [1,0,0,0,0,0|3,0,0]=4 316 B13R1.44 C#CCNC(C)Cc1ccccn1 9a3f7b9011e35483503e7398f429c39d [1,0,0,0,0,0|1,0,1]=3 317 B13R1.44 C#CCNC(C)Cc1cccnc1 ea0bb3710f90a836e88ad94e93346627 [1,0,0,0,0,0|1,0,1]=3 318 B13R1.44 C#CCNC(C)Cc1ccncc1 33269ccc3b2a970d629d561bbdde1044 [1,0,0,0,0,0|1,0,1]=3 319 B13R1.44 C#CCNC(C)Cc1cnccn1 7136a34e9a5d6e51fded31c129dce278 [1,0,0,0,0,0|2,0,1]=4 320 B13R1.44 C#CCOC(C)Cc1ccccc1 bb04191db13c6a3b0b5d248fa7ca05f7 [1,0,0,0,0,0|1,0,1]=3 321 B13R1.44 C#CCOC(C)Cc1ccccn1 6e73427ad7449d1eefda67cb2ae6b079 [1,0,0,0,0,0|2,0,1]=4 322 B13R1.44 C#CCO[C@@H](C)Cc1ccccc1 30f021bd79edd5dc5aa3f42523a3a320 [1,0,0,0,0,0|1,0,1]=3 323 B13R1.44 C#CCO[C@H](C)Cc1ccccc1 79425d7d0bc1b7627c8ec7c320d37fa0 [1,0,0,0,0,0|1,0,1]=3 324 B13R1.44 C=CCCC(C)Nc1ccccc1 b9da276db5676b460524b9c7435c936b [1,0,0,0,0,0|2,0,1]=4 325 B13R1.44 C=CCCN(C)Cc1ccccc1 3c9e0d09347e47443553723cd7be6f9f [1,0,0,0,0,0|2,0,1]=4 326 B13R1.44 C=CCNC(C)Cc1ccccn1 29157b676bab3bfbd1de0c67396e0241 [1,0,0,0,0,0|1,0,2]=4 327 B13R1.44 C=CCNC(C)Cc1cccnc1 8a38fb446554076aa67a82f5707f8f09 [1,0,0,0,0,0|1,0,2]=4 328 B13R1.44 C=CCNC(C)Cc1ccncc1 8b302c9e28326cabf5e401bc2019bdaa [1,0,0,0,0,0|1,0,2]=4 329 B13R1.44 C=CCOC(C)Cc1ccccc1 a9098dea91ada715f8cf428fa7a580a9 [1,0,0,0,0,0|1,0,2]=4 330 B13R1.44 C=CCO[C@@H](C)Cc1ccccc1 fb190cfd5c02df111bb2b90c847035c4 [1,0,0,0,0,0|1,0,2]=4 331 B13R1.44 C=CCO[C@H](C)Cc1ccccc1 d069b1420c77e4523afa1be804514d1f [1,0,0,0,0,0|1,0,2]=4 332 B13R1.44 CC(CCC#N)Nc1ccccc1 2f273fcfb174a08ee6e5c4c6b7e7afaa [1,0,0,0,0,0|1,0,0]=2 333 B13R1.44 CC(CCC#N)Nc1ccccn1 28a31c3e592cab3351977a52c8c85729 [1,0,0,0,0,0|2,0,0]=3 334 B13R1.44 CC(CCC#N)Nc1cccnc1 6d9e41656d264301bc0ff3a83b0d8260 [1,0,0,0,0,0|2,0,0]=3 335 B13R1.44 CC(CCC#N)Nc1cccnn1 de925c3b22dd588d43fbd9ba4cdac367 [1,0,0,0,0,0|3,0,0]=4 336 B13R1.44 CC(CCC#N)Nc1ccncc1 1b009af7b357242688927705abeb7db0 [1,0,0,0,0,0|2,0,0]=3 337 B13R1.44 CC(CCC#N)Nc1ccncn1 df1a4a904098037a66aab5d0ebd67911 [1,0,0,0,0,0|3,0,0]=4 338 B13R1.44 CC(CCC#N)Nc1ccnnc1 0d6dd6eadc556c28372dbf08ada61107 [1,0,0,0,0,0|3,0,0]=4 339 B13R1.44 CC(CCC#N)Nc1cnccn1 c55647952cdb0fef2db01fe7e03d24a3 [1,0,0,0,0,0|3,0,0]=4 340 B13R1.44 CC(CCC#N)Nc1ncccn1 c1cffb971da3e07aba654b00f769486b [1,0,0,0,0,0|3,0,0]=4 341 B13R1.44 CC(CCC#N)Oc1ccccn1 8726e039ddfed2b8dcb76d402336b486 [1,0,0,0,0,0|2,0,0]=3 342 B13R1.44 CC(CCC#N)Oc1cccnc1 210e9017f8fad982b338153dca2556d6 [1,0,0,0,0,0|2,0,0]=3 343 B13R1.44 CC(CCC#N)Oc1ccncc1 8e1578bd79f10e202a63ba19e2500c26 [1,0,0,0,0,0|2,0,0]=3 344 B13R1.44 CC(CCC#N)Oc1ccnnc1 0e74c38578a3344d314e05f352257c29 [1,0,0,0,0,0|3,0,0]=4 345 B13R1.44 CC(CCC#N)Oc1cnccn1 82ad1755e993724a3b3be965d812cc81 [1,0,0,0,0,0|3,0,0]=4 346 B13R1.44 CC(CCC#N)Oc1ncccn1 a9cef7dce0722a95d1d14a001746ab5e [1,0,0,0,0,0|3,0,0]=4 347 B13R1.44 CC(CCCO)Nc1ccccc1 f20bb93ce6f40cf58cacb8aee4b19b92 [1,0,0,0,0,0|2,0,1]=4 348 B13R1.44 CC(COCF)Cc1ccccc1 cf6c20d560e020e5378ba5348dafbbbd [1,0,0,0,0,0|2,0,1]=4 349 B13R1.44 CC(Cc1ccccc1)OCC#N 5b3b60c337da9ec34ff3f7dcadb0289b [1,0,0,0,0,0|1,0,0]=2 350 B13R1.44 CC(Cc1ccccc1)OCC=O a7eaac1b2aa21388bd39cab2a97d7f12 [1,0,0,0,0,0|2,0,1]=4 351 B13R1.44 CC(Cc1ccccc1)OCCF 40c0d1fb211b589ef3fa26aebde3a13f [1,0,0,0,0,0|2,0,0]=3 352 B13R1.44 CC(Cc1ccccc1)OCCS eee651bccc078c60c2c124960fd1edd5 [1,0,0,0,0,0|2,0,0]=3 353 B13R1.44 CC(Cc1ccccn1)NCC#N df3ffb58f9433ab0efcaebfb8cf1ba2d [1,0,0,0,0,0|1,0,0]=2 354 B13R1.44 CC(Cc1ccccn1)NCC=O c2daeb5d3ac0d2bc58fd015b06f23477 [1,0,0,0,0,0|2,0,1]=4 355 B13R1.44 CC(Cc1ccccn1)NCCF 527ade0f5304db944420a1847e79e654 [1,0,0,0,0,0|2,0,0]=3 356 B13R1.44 CC(Cc1ccccn1)NCCO ba264b17215bdb75982180f401b19fbd [1,0,0,0,0,0|2,0,0]=3 357 B13R1.44 CC(Cc1ccccn1)NCCS 5c574e494cfea2c911455fefb02e7cc9 [1,0,0,0,0,0|2,0,0]=3 358 B13R1.44 CC(Cc1ccccn1)OCC#N 0463b9a60d718234986f6b6be5b66915 [1,0,0,0,0,0|2,0,0]=3 359 B13R1.44 CC(Cc1ccccn1)OCCF 59c812cc83e70813130ec6cd56855e67 [1,0,0,0,0,0|3,0,0]=4 360 B13R1.44 CC(Cc1ccccn1)OCCS c9ec8be1639bfd794d9c884ce7a6e415 [1,0,0,0,0,0|3,0,0]=4 361 B13R1.44 CC(Cc1cccnc1)NCC#N e796d5d9d04b3d1312472deec6ce29e4 [1,0,0,0,0,0|1,0,0]=2 362 B13R1.44 CC(Cc1cccnc1)NCC=O 70ad7497d7ad435db39be0e6f1dfbc2a [1,0,0,0,0,0|2,0,1]=4 363 B13R1.44 CC(Cc1cccnc1)NCCF 6e0d57fb8d7d365f7554051bf98041e9 [1,0,0,0,0,0|2,0,0]=3 364 B13R1.44 CC(Cc1cccnc1)NCCO 735196b1b0c2bd53362947f808d932cf [1,0,0,0,0,0|2,0,0]=3 365 B13R1.44 CC(Cc1cccnc1)NCCS de95198e15ada8265e8f6fb17b9ff99f [1,0,0,0,0,0|2,0,0]=3 366 B13R1.44 CC(Cc1ccncc1)NCC#N aa81e76db230577f1c94bb60afd04dea [1,0,0,0,0,0|1,0,0]=2 367 B13R1.44 CC(Cc1ccncc1)NCC=O fa65195a8943bfa73ea8f6cc1f480299 [1,0,0,0,0,0|2,0,1]=4 368 B13R1.44 CC(Cc1ccncc1)NCCF 1dbfb9ab3307b30e610a5158b4499828 [1,0,0,0,0,0|2,0,0]=3 369 B13R1.44 CC(Cc1ccncc1)NCCO ed3834d4786dae22bd4e8189fa17c295 [1,0,0,0,0,0|2,0,0]=3 370 B13R1.44 CC(Cc1ccncc1)NCCS d0bc3797e2f1692c57c9b91362839704 [1,0,0,0,0,0|2,0,0]=3 371 B13R1.44 CC(Cc1cnccn1)NCC#N 63f85f33cc801e7d445b8158d2865da8 [1,0,0,0,0,0|2,0,0]=3 372 B13R1.44 CC(Cc1cnccn1)NCCF 21c4819f7ad0114589fa2762e1722400 [1,0,0,0,0,0|3,0,0]=4 373 B13R1.44 CC(Cc1cnccn1)NCCO 3cdfa5d87d99d6912ce2b0be2b045f86 [1,0,0,0,0,0|3,0,0]=4 374 B13R1.44 CC(Cc1cnccn1)NCCS 5f20a4f6ac00aa5adc595e2d324c24ad [1,0,0,0,0,0|3,0,0]=4 375 B13R1.44 CC(Cc1cnccn1)OCC#N 6e47c510d560dd333675cb601d3e4ca4 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.44 CCCCC(C)Nc1ccccc1 33a32ffda6f8f10c0a3dafe37790b50b [1,0,0,0,0,0|2,0,1]=4 377 B13R1.44 CCCCN(C)Cc1ccccc1 a14836a42f96f1b5adf55efbbee812c9 [1,0,0,0,0,0|2,0,1]=4 378 B13R1.44 CCCC[C@@H](C)Nc1ccccc1 a81b81af0c0ad2ccc8b90d851da74931 [1,0,0,0,0,0|2,0,1]=4 379 B13R1.44 CCCNC(C)Cc1ccccn1 08a9ae499a0ab2b3686ed9f796aeb713 [1,0,0,0,0,0|1,0,1]=3 380 B13R1.44 CCCNC(C)Cc1cccnc1 d3783f138eefc7174b8325666f11aae7 [1,0,0,0,0,0|1,0,1]=3 381 B13R1.44 CCCNC(C)Cc1ccncc1 ed6140f88e422fed342ce366cb4c481d [1,0,0,0,0,0|1,0,1]=3 382 B13R1.44 CCCNC(C)Cc1cnccn1 1a31115b29d15c97038b96ed7563ced4 [1,0,0,0,0,0|2,0,1]=4 383 B13R1.44 CCCOC(C)Cc1ccccc1 0d6e3fc488ed6570a7168edeaecd186c [1,0,0,0,0,0|1,0,1]=3 384 B13R1.44 CCCOC(C)Cc1ccccn1 94f180fb14efb678ae5b94b8a114d053 [1,0,0,0,0,0|2,0,1]=4 385 B13R1.44 CCCO[C@@H](C)Cc1ccccc1 3b4dd1b88c8a6095ff95285b4bf0c213 [1,0,0,0,0,0|1,0,1]=3 386 B13R1.44 CCCO[C@H](C)Cc1ccccc1 86496af3292741ec4d8a65d7a8599233 [1,0,0,0,0,0|1,0,1]=3 387 B13R1.44 CN(CCC#N)Cc1ccccc1 cec7715a54239ab8b228508276bff0c6 [1,0,0,0,0,0|1,0,0]=2 388 B13R1.44 CN(CCC#N)Cc1ccccn1 7f363fdb72179e0cb096416c8b1da5a1 [1,0,0,0,0,0|2,0,0]=3 389 B13R1.44 CN(CCC#N)Cc1cccnc1 31b1b0b34d193b94e4d4b6e7199f2b65 [1,0,0,0,0,0|2,0,0]=3 390 B13R1.44 CN(CCC#N)Cc1cccnn1 915b8dd454a97e0ca0e7d1d223189c8f [1,0,0,0,0,0|3,0,0]=4 391 B13R1.44 CN(CCC#N)Cc1ccncc1 59c8bc9377fde36596fbddd4d1c4ea9a [1,0,0,0,0,0|2,0,0]=3 392 B13R1.44 CN(CCC#N)Cc1ccncn1 cb8273bc071ba3483ee717551fad37f8 [1,0,0,0,0,0|3,0,0]=4 393 B13R1.44 CN(CCC#N)Cc1ccnnc1 c9b0f6113ff8a13d0fd6b0854d5ff4e0 [1,0,0,0,0,0|3,0,0]=4 394 B13R1.44 CN(CCC#N)Cc1cnccn1 3bb26e70491b3eb7d4a457c022ba0795 [1,0,0,0,0,0|3,0,0]=4 395 B13R1.44 CN(CCC#N)Cc1cncnc1 d2b4a747f2e340b68a061b65f72a574a [1,0,0,0,0,0|3,0,0]=4 396 B13R1.44 CN(CCC#N)Cc1ncccn1 e60bde560a8cdf3b0885be96cb1dc297 [1,0,0,0,0,0|3,0,0]=4 397 B13R1.44 CN(CCC=O)Cc1ccccc1 a920d34c5c0e551c804a63171c4d483f [1,0,0,0,0,0|2,0,1]=4 398 B13R1.44 CN(CCCF)Cc1ccccc1 d05cd88293c0a4b065f332f45d754721 [1,0,0,0,0,0|2,0,1]=4 399 B13R1.44 CN(CCCO)Cc1ccccc1 ced68969ac84c8705d8561470de9f4ab [1,0,0,0,0,0|2,0,1]=4 400 B13R1.44 CN(CCCS)Cc1ccccc1 9ddeb471ca8af960e092d05ca9915ce8 [1,0,0,0,0,0|2,0,1]=4 401 B13R1.44 CN(CCON)Cc1ccccc1 a6572f59d990d1e2e47528981d714b51 [1,0,0,0,0,0|2,0,1]=4 402 B13R1.44 CN(CSC#N)Cc1cccnc1 1367496d23aa2e31173473b422878f8a [1,0,0,0,0,0|3,0,0]=4 403 B13R1.44 COCCN(C)Cc1ccccc1 cdf88891dc4254cba5eaf45424898af9 [1,0,0,0,0,0|3,0,0]=4 404 B13R1.44 COCNC(C)Cc1ccccn1 bdef7d44fcae90d367ec08c1653624aa [1,0,0,0,0,0|2,0,1]=4 405 B13R1.44 COCNC(C)Cc1cccnc1 cceae8db0edb8cc2c8df4aba54b3f57d [1,0,0,0,0,0|2,0,1]=4 406 B13R1.44 COCNC(C)Cc1ccncc1 e7e77f73a77112135fbcc2c2fb76d0b1 [1,0,0,0,0,0|2,0,1]=4 407 B13R1.44 CSCCN(C)Cc1ccccc1 e5eca7443db58613b4252a52eb1be0ef [1,0,0,0,0,0|3,0,0]=4 408 B13R1.44 CSCNC(C)Cc1ccccn1 0163679dcc20e6ad194d00c367953e93 [1,0,0,0,0,0|2,0,1]=4 409 B13R1.44 CSCNC(C)Cc1cccnc1 d8c1306effb4b39add9880cb1d79a606 [1,0,0,0,0,0|2,0,1]=4 410 B13R1.44 CSCNC(C)Cc1ccncc1 b689cae66553db07fb56e61e4daec079 [1,0,0,0,0,0|2,0,1]=4 411 B13R1.44 CSCOC(C)Cc1ccccc1 d47eb7c2add4cd77a238aaa487c41e75 [1,0,0,0,0,0|2,0,1]=4 412 B13R1.44 CSCO[C@@H](C)Cc1ccccc1 a4c62954b462c72460667b177c2c1967 [1,0,0,0,0,0|2,0,1]=4 413 B13R1.44 CSCO[C@H](C)Cc1ccccc1 7a09f89b34308b5d0baa28a6445feb4b [1,0,0,0,0,0|2,0,1]=4 414 B13R1.44 C[C@@H](Cc1ccccc1)OCC#N c9db6ebaf80ce0f8f961992a1e40ae30 [1,0,0,0,0,0|1,0,0]=2 415 B13R1.44 C[C@@H](Cc1ccccc1)OCC=O 3e9b0a0db080f9810e8770e46fc90e59 [1,0,0,0,0,0|2,0,1]=4 416 B13R1.44 C[C@@H](Cc1ccccc1)OCCF adba34a14ed1f92e1af6eb0b6e97a5ec [1,0,0,0,0,0|2,0,0]=3 417 B13R1.44 C[C@@H](Cc1ccccc1)OCCS 5758e84ff221c2386d02535eac8a32e6 [1,0,0,0,0,0|2,0,0]=3 418 B13R1.44 C[C@H](CCCO)Nc1ccccc1 2014e04255bf7ecdb216e4a4e9110808 [1,0,0,0,0,0|2,0,1]=4 419 B13R1.44 C[C@H](Cc1ccccc1)OCC#N d046cd52bb8d82356b7560c2e9e43a07 [1,0,0,0,0,0|1,0,0]=2 420 B13R1.44 C[C@H](Cc1ccccc1)OCC=O 7f98e05865117522aeb093a5dc0cee4a [1,0,0,0,0,0|2,0,1]=4 421 B13R1.44 C[C@H](Cc1ccccc1)OCCF 18fbc53f40b2dd24993aec64b50307bf [1,0,0,0,0,0|2,0,0]=3 422 B13R1.44 C[C@H](Cc1ccccc1)OCCS 1c77b2735448efeb08b15e0d9fc3458a [1,0,0,0,0,0|2,0,0]=3 423 B13R1.44 N#CCNC(=O)Cc1ccccn1 9beab941c88639129c88c5bf9e2af75e [1,0,0,0,0,0|2,0,1]=4 424 B13R1.44 N#CCNC(=O)Cc1cccnc1 7d92d203798142c001a0cabcaf63b6f7 [1,0,0,0,0,0|2,0,1]=4 425 B13R1.44 N#CCNC(=O)Cc1ccncc1 e991f875376f31d7abc17ab7e93baa7e [1,0,0,0,0,0|2,0,1]=4 426 B13R1.44 N#CCNC(=S)Nc1ccccc1 aac296f4984d5ce917ee3d20a3f83997 [1,0,0,0,0,0|2,0,1]=4 427 B13R1.44 N#CNCC(=O)Cc1ccccc1 53049f4e6bc145f3bbc81c22831418cd [1,0,0,0,0,0|2,0,1]=4 428 B15R1.83 C#CCCCCN(C)Cc1ccccc1 eba9513feceb189f40378dbe16c4cc60 [0,1,0,0,0,0|3,0,0]=4 429 B15R1.83 C#CCCCNC(C)Cc1ccccc1 a25a715fccc0282b01c463c9a26ba52a [0,1,0,0,0,0|1,0,0]=2 430 B15R1.83 C#CCCCNC(C)Cc1ccccn1 3f519e752f424092bb7ac27142b29f42 [0,1,0,0,0,0|2,0,0]=3 431 B15R1.83 C#CCCCNC(C)Cc1cccnc1 85aa372874fe749a4fa22345f0b9acab [0,1,0,0,0,0|2,0,0]=3 432 B15R1.83 C#CCCCNC(C)Cc1ccncc1 020b88d8d9ca28824350ac9927a99a8d [0,1,0,0,0,0|2,0,0]=3 433 B15R1.83 C#CCCCNC(C)Cc1cnccn1 b97c3a022a47b5dede30c4b9c7386c9a [0,1,0,0,0,0|3,0,0]=4 434 B15R1.83 C#CCCCOC(C)Cc1ccccc1 085a61de3c9358a7a963836c46277528 [0,1,0,0,0,0|2,0,0]=3 435 B15R1.83 C#CCCCOC(C)Cc1ccccn1 b0029bba06a71f154c4368919b19e503 [0,1,0,0,0,0|3,0,0]=4 436 B15R1.83 C#CCCCO[C@@H](C)Cc1ccccc1 c5a108bfe4cd1f85610015dc3f10c364 [0,1,0,0,0,0|2,0,0]=3 437 B15R1.83 C#CCCCO[C@H](C)Cc1ccccc1 c3dac486f9847219df75264f0ae0fd65 [0,1,0,0,0,0|2,0,0]=3 438 B15R1.83 C#CCCNCC(=O)Cc1ccccc1 f8511fe7ceace2cd52f9b68fafcfd296 [0,1,0,0,0,0|2,0,1]=4 439 B15R1.83 C#CCCNCC(C)Oc1ccccc1 b1445bfe6a1bee119ba5f84e0e682cf1 [0,1,0,0,0,0|2,0,0]=3 440 B15R1.83 C#CCCNCC(C)Oc1cccnc1 fe62bd6f63794326535f5665c626540f [0,1,0,0,0,0|3,0,0]=4 441 B15R1.83 C#CCCNCC(O)Cc1ccccc1 c38e826c863677cfeaaa1fa7fbbfb53b [0,1,0,0,0,0|2,0,0]=3 442 B15R1.83 C#CCCOCC(C)Cc1ccccc1 7739607b82d7620fef63b838b42b4fb2 [0,1,0,0,0,0|2,0,0]=3 443 B15R1.83 C#CCCOCC(C)Oc1ccccc1 4e4238c85f4fe05679bc2a36d41188fa [0,1,0,0,0,0|3,0,0]=4 444 B15R1.83 C#CCCOC[C@H](C)Oc1ccccc1 e7f845a08224d652cbb9fdadf1df39aa [0,1,0,0,0,0|3,0,0]=4 445 B15R1.83 C#CCNCCN(C)Cc1ccccc1 3a9496b3fa6d9f77eec85fd3a9b565aa [0,1,0,0,0,0|3,0,0]=4 446 B15R1.83 C#CCOCCN(C)Cc1ccccc1 6bd626edbaee2d3b63af37b2c38960c0 [0,1,0,0,0,0|3,0,0]=4 447 B15R1.83 C#CCOCNC(=O)Cc1ccccc1 9c785bd20c07d25cf0bea1f1b029bb99 [0,1,0,0,0,0|2,0,1]=4 448 B15R1.83 C/C(=C\c1ccccc1)/COCCC#N 4893874c325281e60228d85c0d7a2218 [0,1,0,0,0,0|1,0,2]=4 449 B15R1.83 C=CCCCNC(C)Cc1ccccc1 dae0e7fb9b35b1228e9b585b9c9a6741 [0,1,0,0,0,0|1,0,1]=3 450 B15R1.83 C=CCCCNC(C)Cc1ccccn1 7e5209bc120c5111d2d6eb95fc2ac2fa [0,1,0,0,0,0|2,0,1]=4 451 B15R1.83 C=CCCCNC(C)Cc1cccnc1 e452385c5bb38fa4b6689da8e8914ba5 [0,1,0,0,0,0|2,0,1]=4 452 B15R1.83 C=CCCCNC(C)Cc1ccncc1 9d610a2df14ed4b3f2a510e281f9d32f [0,1,0,0,0,0|2,0,1]=4 453 B15R1.83 C=CCCCOC(C)Cc1ccccc1 bdb7060fb9f6da564528c711201e58ca [0,1,0,0,0,0|2,0,1]=4 454 B15R1.83 C=CCCCO[C@@H](C)Cc1ccccc1 88a5507da3ce68e7fd0ea01b76839e7b [0,1,0,0,0,0|2,0,1]=4 455 B15R1.83 C=CCCCO[C@H](C)Cc1ccccc1 ba2f3462b156dbc2c0a1de9681ceb471 [0,1,0,0,0,0|2,0,1]=4 456 B15R1.83 C=CCCNCC(C)Oc1ccccc1 f010bea2603f053a87bb995f749b8317 [0,1,0,0,0,0|2,0,1]=4 457 B15R1.83 C=CCCNCC(O)Cc1ccccc1 08706935c60458a459dff03f3228a523 [0,1,0,0,0,0|2,0,1]=4 458 B15R1.83 C=CCCNC[C@@H](O)Cc1ccccc1 4719696284bbb1897f541258223eb921 [0,1,0,0,0,0|2,0,1]=4 459 B15R1.83 C=CCCOCC(C)Cc1ccccc1 8add15b48e8726e9189f524b69ecbe82 [0,1,0,0,0,0|2,0,1]=4 460 B15R1.83 C=COCCNC(C)Cc1ccccc1 36d08180f33552752d7b85a307fe9b82 [0,1,0,0,0,0|1,0,1]=3 461 B15R1.83 CC#CCCCN(C)Cc1ccccc1 91bb4251d5e595b848af39d6b7aecad7 [0,1,0,0,0,0|3,0,0]=4 462 B15R1.83 CC(CNCCC#N)Oc1ccccc1 9ad26e17f1106c778774dafeaef21ab8 [0,1,0,0,0,0|1,0,0]=2 463 B15R1.83 CC(CNCCC#N)Oc1cccnc1 f6984034f5bba17e6174dc783b016f8d [0,1,0,0,0,0|2,0,0]=3 464 B15R1.83 CC(CNCCC=O)Oc1ccccc1 a4560e65818f98885f4e41f6583ff420 [0,1,0,0,0,0|2,0,1]=4 465 B15R1.83 CC(CNCCCF)Oc1ccccc1 797d0959f4fa2211400f74fe30af2744 [0,1,0,0,0,0|2,0,1]=4 466 B15R1.83 CC(CNCCCO)Oc1ccccc1 2b6a0ae4bb225a9907caedc1bac9e65a [0,1,0,0,0,0|2,0,1]=4 467 B15R1.83 CC(CNCCCS)Oc1ccccc1 66564bcb45b43f5ae2489be6f8053224 [0,1,0,0,0,0|2,0,1]=4 468 B15R1.83 CC(CNCSC#N)Oc1ccccc1 5908099a32f08fa1c333e8bc14690e89 [0,1,0,0,0,0|2,0,0]=3 469 B15R1.83 CC(CNCSC#N)Oc1cccnc1 e465a1f6cadb5e726bfb157815c35977 [0,1,0,0,0,0|3,0,0]=4 470 B15R1.83 CC(COCCC#N)Cc1ccccc1 1e806c812861ff14024f4b2be76606ca [0,1,0,0,0,0|1,0,0]=2 471 B15R1.83 CC(COCCC#N)Oc1ccccc1 bddee412b5122fe6f0ae21729acca4dc [0,1,0,0,0,0|2,0,0]=3 472 B15R1.83 CC(COCCC=O)Cc1ccccc1 b4df91b8ff898afa9bedaf2847d6b345 [0,1,0,0,0,0|2,0,1]=4 473 B15R1.83 CC(COCCCF)Cc1ccccc1 8e52866a218866ebe349a84d691e0749 [0,1,0,0,0,0|2,0,1]=4 474 B15R1.83 CC(COCSC#N)Cc1ccccc1 4b6f94c87072a4405c8c264031d101c5 [0,1,0,0,0,0|2,0,0]=3 475 B15R1.83 CC(COCSC#N)Oc1ccccc1 74135d85d7583e24e6a4b78646dce152 [0,1,0,0,0,0|3,0,0]=4 476 B15R1.83 CC(Cc1ccccc1)NCCCC#N 6752a4fa8753553850cee8fd4bc7bda8 [0,1,0,0,0,0|0,0,0]=1 477 B15R1.83 CC(Cc1ccccc1)NCCCCCl 937647a16fb65d09c87599d786a00cb8 [0,1,0,0,0,0|1,0,1]=3 478 B15R1.83 CC(Cc1ccccc1)NCCCCS c1d91c3f5693db1bf3cd59df1a963305 [0,1,0,0,0,0|1,0,1]=3 479 B15R1.83 CC(Cc1ccccc1)OCC=CC#N 275a61b00dfe697ffcf542456b76e077 [0,1,0,0,0,0|1,0,1]=3 480 B15R1.83 CC(Cc1ccccc1)OCCCC#N ee1376cfa5facb780703f997818851fb [0,1,0,0,0,0|1,0,0]=2 481 B15R1.83 CC(Cc1ccccc1)OCCCC=O 3b6680df178b92c52733df13a2d09997 [0,1,0,0,0,0|2,0,1]=4 482 B15R1.83 CC(Cc1ccccc1)OCCCCF 2540c5fd76e2c986378af525c4483a20 [0,1,0,0,0,0|2,0,1]=4 483 B15R1.83 CC(Cc1ccccn1)NCC=CC#N c75bdbb77615feccb6623ea5e00348e1 [0,1,0,0,0,0|1,0,1]=3 484 B15R1.83 CC(Cc1ccccn1)NCCCC#N cf067f4cbd1ff3bdb45680ee1dc58abb [0,1,0,0,0,0|1,0,0]=2 485 B15R1.83 CC(Cc1ccccn1)NCCCC=O ca3ec0cf30505cda8a12ad6cb0f3250d [0,1,0,0,0,0|2,0,1]=4 486 B15R1.83 CC(Cc1ccccn1)NCCCCF 0fdddca695ee61beae774d53539a5100 [0,1,0,0,0,0|2,0,1]=4 487 B15R1.83 CC(Cc1ccccn1)NCCCCO 4926111f81771981ce9b097e2ef299c0 [0,1,0,0,0,0|2,0,1]=4 488 B15R1.83 CC(Cc1ccccn1)OCC=CC#N 107208216f6237e424ce5530e6bfb544 [0,1,0,0,0,0|2,0,1]=4 489 B15R1.83 CC(Cc1ccccn1)OCCCC#N 5406ca757eb8bf6c6a5089c9d3ab5b2b [0,1,0,0,0,0|2,0,0]=3 490 B15R1.83 CC(Cc1cccnc1)NCC=CC#N 0325ce66d8a4ad7d3f98faa793684d5d [0,1,0,0,0,0|1,0,1]=3 491 B15R1.83 CC(Cc1cccnc1)NCCCC#N 425dae7431aaa744b4aa1a586e6f9fde [0,1,0,0,0,0|1,0,0]=2 492 B15R1.83 CC(Cc1cccnc1)NCCCC=O db88c26df75eb59195821208185e1211 [0,1,0,0,0,0|2,0,1]=4 493 B15R1.83 CC(Cc1cccnc1)NCCCCF 25cb9eb79aabf0bc6c5007a142ca1703 [0,1,0,0,0,0|2,0,1]=4 494 B15R1.83 CC(Cc1cccnc1)NCCCCO ade23bd85d939f5f3c5fc1efcf8a2e8e [0,1,0,0,0,0|2,0,1]=4 495 B15R1.83 CC(Cc1ccncc1)NCC=CC#N c17e4f5cfdd988fb15004edbdbd72c18 [0,1,0,0,0,0|1,0,1]=3 496 B15R1.83 CC(Cc1ccncc1)NCCCC#N f69a479e274fa095fa1010168d4a69bb [0,1,0,0,0,0|1,0,0]=2 497 B15R1.83 CC(Cc1ccncc1)NCCCC=O 63f339c0bbdd694853c3840d981a0c31 [0,1,0,0,0,0|2,0,1]=4 498 B15R1.83 CC(Cc1ccncc1)NCCCCF f8b1b974ac79e696c0221b7134942773 [0,1,0,0,0,0|2,0,1]=4 499 B15R1.83 CC(Cc1ccncc1)NCCCCO f51624da04c24a7218f310c89ff27cb9 [0,1,0,0,0,0|2,0,1]=4 500 B15R1.83 CC(Cc1cnccn1)NCC=CC#N e54b07b0a7d33ff413c38f97a034e7f3 [0,1,0,0,0,0|2,0,1]=4 501 B15R1.83 CC(Cc1cnccn1)NCCCC#N 5ce7a107d78454ff87e845b85e2f83b9 [0,1,0,0,0,0|2,0,0]=3 502 B15R1.83 CC(Cc1cnccn1)OCCCC#N eda9301dfca28bf065fac9f5fb2c3ba2 [0,1,0,0,0,0|3,0,0]=4 503 B15R1.83 CCCCCNC(C)Cc1ccccn1 53034c2c6f4c8f7c385dd1d1f2d1dd47 [0,1,0,0,0,0|2,0,1]=4 504 B15R1.83 CCCCCNC(C)Cc1cccnc1 2bc8f1f17bab44df9ac17dbb04d54cd2 [0,1,0,0,0,0|2,0,1]=4 505 B15R1.83 CCCCCNC(C)Cc1ccncc1 476c148a1ff774be355204a2ba9a83f6 [0,1,0,0,0,0|2,0,1]=4 506 B15R1.83 CCCCCOC(C)Cc1ccccc1 1be6bfdc9aa01bd3e504e09614edff58 [0,1,0,0,0,0|2,0,1]=4 507 B15R1.83 CCCCCO[C@@H](C)Cc1ccccc1 9f8f7dcd02d9952646b5dceea100c109 [0,1,0,0,0,0|2,0,1]=4 508 B15R1.83 CCCCCO[C@H](C)Cc1ccccc1 66f936c7109c49640d6bf88bb04065a6 [0,1,0,0,0,0|2,0,1]=4 509 B15R1.83 CCCCNCC(C)Oc1ccccc1 6ee1ae3cf80f520e02ae23bc424971f6 [0,1,0,0,0,0|2,0,1]=4 510 B15R1.83 CCCCNCC(O)Cc1ccccc1 92c217e65eda5ae09f1a3b23fe472ea4 [0,1,0,0,0,0|2,0,1]=4 511 B15R1.83 CCCCOCC(C)Cc1ccccc1 85b162017488fb096fea337ff1613bea [0,1,0,0,0,0|2,0,1]=4 512 B15R1.83 CCOCCNC(C)Cc1ccccn1 f3dcddffa3b2466b12cac680f02b248b [0,1,0,0,0,0|2,0,1]=4 513 B15R1.83 CCOCCNC(C)Cc1cccnc1 dcac088d9ed12b8cecbf288b5e10b9e7 [0,1,0,0,0,0|2,0,1]=4 514 B15R1.83 CCOCCNC(C)Cc1ccncc1 dde4cb3f2d9d452c10bc7279df175ee4 [0,1,0,0,0,0|2,0,1]=4 515 B15R1.83 CCOCCOC(C)Cc1ccccc1 718d1c3382cd7ac7f728e3c70f195d28 [0,1,0,0,0,0|2,0,1]=4 516 B15R1.83 CCOCCO[C@@H](C)Cc1ccccc1 9239a9120147f812d1eaeb12108b72a0 [0,1,0,0,0,0|2,0,1]=4 517 B15R1.83 CCOCCO[C@H](C)Cc1ccccc1 c932b4efc837c07244b042414c66ca15 [0,1,0,0,0,0|2,0,1]=4 518 B15R1.83 CCSCCNC(C)Cc1ccccn1 a376617f98dfa7a4e70c59568cc25d91 [0,1,0,0,0,0|2,0,1]=4 519 B15R1.83 CCSCCNC(C)Cc1cccnc1 e03477b291ee7ef653c6d5752e79c520 [0,1,0,0,0,0|2,0,1]=4 520 B15R1.83 CCSCCNC(C)Cc1ccncc1 4055eadd7e01e992e16a78b535b4df68 [0,1,0,0,0,0|2,0,1]=4 521 B15R1.83 CN(CCCCC#N)Cc1ccccc1 989dad84eac1c0e489347e6d4e5e2337 [0,1,0,0,0,0|2,0,0]=3 522 B15R1.83 CN(CCCCC#N)Cc1ccccn1 6ecb8f95bbc6c4698d2fd96e4f0bbddc [0,1,0,0,0,0|3,0,0]=4 523 B15R1.83 CN(CCCCC#N)Cc1cccnc1 e2ac7c0de7644fff962a18c2c95db089 [0,1,0,0,0,0|3,0,0]=4 524 B15R1.83 CN(CCCCC#N)Cc1ccncc1 b6b60b50438290386f208b04ddc0ea29 [0,1,0,0,0,0|3,0,0]=4 525 B15R1.83 CN(CCNCC#N)Cc1ccccc1 353a13f6bf3547a95944b858876d0879 [0,1,0,0,0,0|2,0,0]=3 526 B15R1.83 CN(CCOCC#N)Cc1ccccc1 40f8eb27829c0004ac761a3712cca47c [0,1,0,0,0,0|2,0,0]=3 527 B15R1.83 CN(CCOCC#N)Cc1ccccn1 d0a02aba1731d6875954fa88a4cff92b [0,1,0,0,0,0|3,0,0]=4 528 B15R1.83 CN(CCOCC#N)Cc1cccnc1 048a738d9f9b2d0c9f2bb7b60deeaf4f [0,1,0,0,0,0|3,0,0]=4 529 B15R1.83 CN(CCOCC#N)Cc1ccncc1 2e8803ffe15b0c9bd3f75226d9b307f3 [0,1,0,0,0,0|3,0,0]=4 530 B15R1.83 COCCCNC(C)Cc1ccccn1 75938338ed6aeb5278df859c7b88e827 [0,1,0,0,0,0|2,0,1]=4 531 B15R1.83 COCCCNC(C)Cc1cccnc1 69bb7eb879688e98ca725f478205b867 [0,1,0,0,0,0|2,0,1]=4 532 B15R1.83 COCCCNC(C)Cc1ccncc1 01dfc34e3ac0aa4bc4595d9cd749596c [0,1,0,0,0,0|2,0,1]=4 533 B15R1.83 COCCCOC(C)Cc1ccccc1 e1984bd25f2b808b74f7674d57db3d14 [0,1,0,0,0,0|2,0,1]=4 534 B15R1.83 COCCCO[C@@H](C)Cc1ccccc1 5e5e94cca5f4f5999a7d2ea0e653bb4b [0,1,0,0,0,0|2,0,1]=4 535 B15R1.83 COCCCO[C@H](C)Cc1ccccc1 584e2ff5e8cfe801d5dc6b54862c2684 [0,1,0,0,0,0|2,0,1]=4 536 B15R1.83 COCCNCC(C)Oc1ccccc1 d34299601f9b33614977b52e6d637db2 [0,1,0,0,0,0|3,0,0]=4 537 B15R1.83 COCCNCC(O)Cc1ccccc1 7becceb9f656009afb0f4c63103ff0a3 [0,1,0,0,0,0|3,0,0]=4 538 B15R1.83 COCCOCC(C)Cc1ccccc1 c2c536832c1d33074277a5fead3b91ed [0,1,0,0,0,0|3,0,0]=4 539 B15R1.83 CSCCCNC(C)Cc1ccccn1 8a8d0cc4de08e63819f94c7161b3559d [0,1,0,0,0,0|2,0,1]=4 540 B15R1.83 CSCCCNC(C)Cc1cccnc1 f6516d106f7d0250506f447e8e19ee3f [0,1,0,0,0,0|2,0,1]=4 541 B15R1.83 CSCCCNC(C)Cc1ccncc1 2d3f472ebdf6650e5763ee3a7c893de1 [0,1,0,0,0,0|2,0,1]=4 542 B15R1.83 CSCCCOC(C)Cc1ccccc1 8a572fc85668ea41b3c6d841034f5a82 [0,1,0,0,0,0|2,0,1]=4 543 B15R1.83 CSCCCO[C@@H](C)Cc1ccccc1 450f9778d20cdff4b35d446bff6f1272 [0,1,0,0,0,0|2,0,1]=4 544 B15R1.83 CSCCCO[C@H](C)Cc1ccccc1 172e949d396039dc9a4cb4b2b4778e85 [0,1,0,0,0,0|2,0,1]=4 545 B15R1.83 CSCCNCC(C)Oc1ccccc1 2f85d150ef6c4683801b5aaa5ec3c0a0 [0,1,0,0,0,0|3,0,0]=4 546 B15R1.83 CSCCNCC(O)Cc1ccccc1 910efc1aa965bdd4039d4305861105a5 [0,1,0,0,0,0|3,0,0]=4 547 B15R1.83 CSCCOCC(C)Cc1ccccc1 78f91f6b0129658759d8d6a64363852d [0,1,0,0,0,0|3,0,0]=4 548 B15R1.83 C[C@@H](COCCC#N)Oc1ccccc1 553892107c26ac0932d781d5a9044550 [0,1,0,0,0,0|2,0,0]=3 549 B15R1.83 C[C@@H](COCSC#N)Oc1ccccc1 9265de2e84b8f8abf82d16ae00164486 [0,1,0,0,0,0|3,0,0]=4 550 B15R1.83 C[C@@H](Cc1ccccc1)OCC=CC#N a063919a72aab5f39ad97c39100d99e9 [0,1,0,0,0,0|1,0,1]=3 551 B15R1.83 C[C@@H](Cc1ccccc1)OCCCC#N 421512a15887da3f7e0f077af0749ab8 [0,1,0,0,0,0|1,0,0]=2 552 B15R1.83 C[C@@H](Cc1ccccc1)OCCCC=O b3f30e32d1ec6e77f87c7644153e140b [0,1,0,0,0,0|2,0,1]=4 553 B15R1.83 C[C@@H](Cc1ccccc1)OCCCCF ffe4debe22440b1b59578f17b56eb8ee [0,1,0,0,0,0|2,0,1]=4 554 B15R1.83 C[C@H](Cc1ccccc1)OCC=CC#N b9cf0163baf6c6ec982673c7530ebb57 [0,1,0,0,0,0|1,0,1]=3 555 B15R1.83 C[C@H](Cc1ccccc1)OCCCC#N c7f453149d5c6fd0fefac15f0e38565a [0,1,0,0,0,0|1,0,0]=2 556 B15R1.83 C[C@H](Cc1ccccc1)OCCCC=O 9fbc2a9cfcf2e88e41a49065919dcdd7 [0,1,0,0,0,0|2,0,1]=4 557 B15R1.83 C[C@H](Cc1ccccc1)OCCCCF 203fba3a1d4e0982db3f07b9d83d6a9c [0,1,0,0,0,0|2,0,1]=4 558 B15R1.83 N#CCCCNC(=O)Cc1ccccn1 f0204f6fedfb14dea771bd6b1e435937 [0,1,0,0,0,0|2,0,1]=4 559 B15R1.83 N#CCCCNC(=O)Cc1cccnc1 876821ec05f6de6b7775bfb4d81ff7d2 [0,1,0,0,0,0|2,0,1]=4 560 B15R1.83 N#CCCCNC(=O)Cc1ccncc1 9c6e0548157d5e65501c7e9405bb8c89 [0,1,0,0,0,0|2,0,1]=4 561 B15R1.83 N#CCCCNC(=S)Nc1ccccc1 4817d483a0485d26152dc1eac52187a5 [0,1,0,0,0,0|2,0,1]=4 562 B15R1.83 N#CCCNCC(=O)Cc1ccccc1 ffea555ce7d7876aaeac19e7852644a3 [0,1,0,0,0,0|1,0,1]=3 563 B15R1.83 N#CCCNCC(=O)Nc1ccccc1 037b18b022e546189fb02d6b446a4486 [0,1,0,0,0,0|2,0,1]=4 564 B15R1.83 N#CCCNCC(=O)Oc1ccccc1 2cf4faf566800ba4129935a1c54b7f53 [0,1,0,0,0,0|2,0,1]=4 565 B15R1.83 N#CCCNCC(O)Cc1ccccc1 9e9427c9d3a5343d02013f9e3b9ce29f [0,1,0,0,0,0|1,0,0]=2 566 B15R1.83 N#CCCOCC(=O)Cc1ccccc1 3d59d7421f1fa594aef041136a9da6e6 [0,1,0,0,0,0|2,0,1]=4 567 B15R1.83 N#CCOCNC(=O)Cc1ccccc1 6c8b0c00b19808756912660686cb7240 [0,1,0,0,0,0|1,0,1]=3 568 B15R1.83 N#CNCCNC(=O)Cc1ccccc1 aa14f8b6b85625b8fc72296b6831f5ac [0,1,0,0,0,0|1,0,1]=3 569 B15R1.83 O=CCCNCC(O)Cc1ccccc1 6b9982f2fbe463875d97f260d382024e [0,1,0,0,0,0|2,0,1]=4 570 B15R1.83 OC(CNCCCF)Cc1ccccc1 b09658625ace6bcd8b1caa908b51c7e6 [0,1,0,0,0,0|2,0,1]=4 571 B15R1.83 OC(CNCCCS)Cc1ccccc1 e4593f76c19cceb8ae62df1516b6b33d [0,1,0,0,0,0|2,0,1]=4 572 B15R1.83 OCCCNCC(O)Cc1ccccc1 076022de2456ec89d6011e60eaa35927 [0,1,0,0,0,0|2,0,1]=4 573 B15R1.93 C#CCCNC(=O)C(O)c1ccccc1 729e35a4041cdafc1864ac309229c4c1 [0,1,0,0,0,0|2,0,1]=4 574 B15R1.93 C#CCCNC(=O)[C@@H](O)c1ccccc1 6299d51c8ea147ab3370345a1d454671 [0,1,0,0,0,0|2,0,1]=4 575 B15R1.93 C#CCCNC(=O)[C@H](O)c1ccccc1 b8b1cce95cfcc06848b60be3d8230856 [0,1,0,0,0,0|2,0,1]=4 576 B15R1.93 C=C(C(=O)NCCC#N)c1ccccc1 ab6302e3a64590b051bca3fd6f870bde [0,1,0,0,0,0|1,0,2]=4 577 B15R1.93 C=CCCNC(C)C(=O)c1ccccc1 21dd263d2075d8e4acc9814265a266fa [0,1,0,0,0,0|1,0,2]=4 578 B15R1.93 CC(C(=O)NCCC#N)c1ccccc1 ec61c11ef8edacd7ded9bba3f7e7a1bc [0,1,0,0,0,0|1,0,1]=3 579 B15R1.93 CC(C(=O)NCCC#N)c1cccnc1 d00a30a528eb25ef7791ce4c4911e793 [0,1,0,0,0,0|2,0,1]=4 580 B15R1.93 CC(c1ccccn1)N(C)CCCC#N a5a6436c439ec91cc0efb461d1861ad4 [0,1,0,0,0,0|3,0,0]=4 581 B15R1.93 CC(c1cccnc1)N(C)CCCC#N 5ea3abd4126bb752bb08626a00c43d2c [0,1,0,0,0,0|3,0,0]=4 582 B15R1.93 CC(c1ccncc1)N(C)CCCC#N 5a0d172a186f23c70a5f9f2aa17978f5 [0,1,0,0,0,0|3,0,0]=4 583 B15R1.93 C[C@@H](C(=O)NCCC#N)c1ccccc1 63a6ca2519299a611decf38f4c2592dd [0,1,0,0,0,0|1,0,1]=3 584 B15R1.93 C[C@@H](c1ccncc1)N(C)CCCC#N 433c3d77aafa3e7c2fb3e6bc360b840c [0,1,0,0,0,0|3,0,0]=4 585 B15R1.93 C[C@H](C(=O)NCCC#N)c1ccccc1 1cbe549d2e4b0ce2574638685a16af0c [0,1,0,0,0,0|1,0,1]=3 586 B15R1.93 N#CCCNC(=O)C(=O)c1ccccc1 a3719a0c743e021200f4c0de886536f2 [0,1,0,0,0,0|1,0,2]=4 587 B15R1.93 N#CCCNC(=O)C(O)c1ccccc1 dfc885589ad71c488b1d0e8e676f9c5c [0,1,0,0,0,0|1,0,1]=3 588 B15R1.93 N#CCCNC(=O)C(O)c1cccnc1 e8f90ab1a150e90f5b59d7471b85b8e1 [0,1,0,0,0,0|2,0,1]=4 589 B15R1.93 N#CCCNC(=O)C(O)c1ccncc1 5058119b8b1b1ebda96852c45509439c [0,1,0,0,0,0|2,0,1]=4 590 B15R1.93 N#CCCNC(=O)[C@@H](O)c1ccccc1 9ae5d61be0bab4da74ab2473e36578a7 [0,1,0,0,0,0|1,0,1]=3 591 B15R1.93 N#CCCNC(=O)[C@H](O)c1ccccc1 b33e98d2f82ec306b0d7582efe3b7b5f [0,1,0,0,0,0|1,0,1]=3 592 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)Br 5c9d88c182815448c3276e840293ba65 [0,1,0,0,0,0|3,0,0]=4 593 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)C ad2661be341a77818e08f3f7d00d1481 [0,1,0,0,0,0|3,0,0]=4 594 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)Cl a075b0970c9b7404bcc017ec48ea4605 [0,1,0,0,0,0|3,0,0]=4 595 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)F 4fb1af3907eaeea00920966526ed22dc [0,1,0,0,0,0|3,0,0]=4 596 B15R1.128 C#CCCCN(C)Cc1ccc(cc1)I c3609a3b65ce575187c0663edfa074d4 [0,1,0,0,0,0|3,0,0]=4 597 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Br 5cdb9ecb5a5003540e4b79feafd37712 [0,1,0,0,0,0|2,0,1]=4 598 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)C 047079e6e319c44adecac1e54e4461a6 [0,1,0,0,0,0|2,0,1]=4 599 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Cl 212492901f8f1b80a0e1edc553f5c3e5 [0,1,0,0,0,0|2,0,1]=4 600 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)F db1fbecdbae427c1726a675a9caadf89 [0,1,0,0,0,0|2,0,1]=4 601 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)I be4a1542140b4913bf81d2db0418c19c [0,1,0,0,0,0|2,0,1]=4 602 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)O 0503018c5306d82546bf8c851145ab64 [0,1,0,0,0,0|2,0,1]=4 603 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)S b9446b8f4b6dce4eedf83235beb6e820 [0,1,0,0,0,0|2,0,1]=4 604 B15R1.128 C#CCCNC(C)Cc1ccc(cc1)F 5a17f9e707f27c88908813ba17f73870 [0,1,0,0,0,0|1,0,0]=2 605 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)Br 7c4f5b77d4a967755d9e718ed5631270 [0,1,0,0,0,0|2,0,0]=3 606 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)C e7bef217d5ac820515bda3f53e24e267 [0,1,0,0,0,0|2,0,0]=3 607 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)Cl a81a27504959c1a3720bb723babe1e32 [0,1,0,0,0,0|2,0,0]=3 608 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)F 55813864970a919a87c68937f4e3de0b [0,1,0,0,0,0|2,0,0]=3 609 B15R1.128 C#CCOCC(C)Cc1ccc(cc1)C 374707f52eba70613ff6b483fd369730 [0,1,0,0,0,0|3,0,0]=4 610 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)F 2f7e52740c6eb7d67f1a3cdd91a71b8a [0,1,0,0,0,0|1,0,1]=3 611 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)Br c283e3ff852539d080c85323a4b28e08 [0,1,0,0,0,0|2,0,1]=4 612 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)C 7bb190c9203a50cfbe001924b014cb7b [0,1,0,0,0,0|2,0,1]=4 613 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)Cl 0e3f23f0324678247d27bc8bd18137fd [0,1,0,0,0,0|2,0,1]=4 614 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)F d70791ad10197726cf15537c51a2f17e [0,1,0,0,0,0|2,0,1]=4 615 B15R1.128 CC(CNCC#N)Oc1ccc(cc1)Cl 2bec8f323d4b296d923c1e583fe6b35b [0,1,0,0,0,0|3,0,0]=4 616 B15R1.128 CC(CNCC#N)Oc1ccc(cc1)F 2e2602244de58e964499d39906bc2662 [0,1,0,0,0,0|3,0,0]=4 617 B15R1.128 CC(COCC#N)Oc1ccc(cc1)F 617f0e8b7d746a7925fae7daaf3ac772 [0,1,0,0,0,0|3,0,0]=4 618 B15R1.128 CC(Cc1ccc(cc1)Br)OCCC#N 999336e70663dbb801c8b8717898e1e0 [0,1,0,0,0,0|1,0,0]=2 619 B15R1.128 CC(Cc1ccc(cc1)Br)OCCC=O 59106292f65253d637309a1dd118a3c5 [0,1,0,0,0,0|2,0,1]=4 620 B15R1.128 CC(Cc1ccc(cc1)Br)OCCCF b2b3a3aa68107f92e834418c9b968cf4 [0,1,0,0,0,0|2,0,1]=4 621 B15R1.128 CC(Cc1ccc(cc1)Br)OCCCS e9ac2b905a66c812cc16a4f13c291482 [0,1,0,0,0,0|2,0,1]=4 622 B15R1.128 CC(Cc1ccc(cc1)Br)OCSC#N 298b87b6dfb1b099eecab4232dcdab90 [0,1,0,0,0,0|2,0,0]=3 623 B15R1.128 CC(Cc1ccc(cc1)Cl)OCCC#N e58f51d04a72d8dc63997bf1099b6315 [0,1,0,0,0,0|1,0,0]=2 624 B15R1.128 CC(Cc1ccc(cc1)Cl)OCCC=O 2d7d512dbf863be4bb18f5497e1ad18b [0,1,0,0,0,0|2,0,1]=4 625 B15R1.128 CC(Cc1ccc(cc1)Cl)OCCCF f14ce477826a2707027b3ee283bd5b3a [0,1,0,0,0,0|2,0,1]=4 626 B15R1.128 CC(Cc1ccc(cc1)Cl)OCCCS 744102de508211b0996c336acf084232 [0,1,0,0,0,0|2,0,1]=4 627 B15R1.128 CC(Cc1ccc(cc1)Cl)OCSC#N 1aa7012ae43e1f8e48ddc98142faeba9 [0,1,0,0,0,0|2,0,0]=3 628 B15R1.128 CC(Cc1ccc(cc1)F)NCCC#N b217e37edc5fca1061b90b0f17415a30 [0,1,0,0,0,0|0,0,0]=1 629 B15R1.128 CC(Cc1ccc(cc1)F)NCCCCl 521f1040f5174c9d5b04ac8c7a297329 [0,1,0,0,0,0|1,0,1]=3 630 B15R1.128 CC(Cc1ccc(cc1)F)NCCCO fed6f2ca06fb353094d0421806efe790 [0,1,0,0,0,0|1,0,1]=3 631 B15R1.128 CC(Cc1ccc(cc1)F)NCCON db175904912aebfead03893e59eccc3c [0,1,0,0,0,0|1,0,1]=3 632 B15R1.128 CC(Cc1ccc(cc1)F)OCCC#N 023f437303ced5b684c93b3721f5ace8 [0,1,0,0,0,0|1,0,0]=2 633 B15R1.128 CC(Cc1ccc(cc1)F)OCCC=O 2753d36234852ce1a27f2f87224d7da7 [0,1,0,0,0,0|2,0,1]=4 634 B15R1.128 CC(Cc1ccc(cc1)F)OCCCF f132fd50422c4e547ef4f1a88f908643 [0,1,0,0,0,0|2,0,1]=4 635 B15R1.128 CC(Cc1ccc(cc1)F)OCCCS b69d3d94566eed4927722de91feb8fa8 [0,1,0,0,0,0|2,0,1]=4 636 B15R1.128 CC(Cc1ccc(cc1)F)OCSC#N 6994c9263d691b78d4de42c15447e15d [0,1,0,0,0,0|2,0,0]=3 637 B15R1.128 CC=CCNC(C)Cc1ccc(cc1)F 7632ce25eeedb9efd1deaf6583dbb49a [0,1,0,0,0,0|1,0,2]=4 638 B15R1.128 CCCCNC(C)Cc1ccc(cc1)F 476558283a98687f22420ec4493de695 [0,1,0,0,0,0|1,0,1]=3 639 B15R1.128 CCCCOC(C)Cc1ccc(cc1)Br ed3e23a0c0c69544ca38c562b1563177 [0,1,0,0,0,0|2,0,1]=4 640 B15R1.128 CCCCOC(C)Cc1ccc(cc1)C 093917159cf1b1e68d47384efb62e0aa [0,1,0,0,0,0|2,0,1]=4 641 B15R1.128 CCCCOC(C)Cc1ccc(cc1)Cl 31718db66b6cc7613047d873fe671c83 [0,1,0,0,0,0|2,0,1]=4 642 B15R1.128 CCCCOC(C)Cc1ccc(cc1)F 91c548820154a1423025e788aeb9161a [0,1,0,0,0,0|2,0,1]=4 643 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)Br 9d4c21ed4c735dad0ecee5fed4460b72 [0,1,0,0,0,0|2,0,0]=3 644 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)Cl 21c0cb53bec346d91a576497ac072848 [0,1,0,0,0,0|2,0,0]=3 645 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)F 586635252a6b14c543efb2725befcc04 [0,1,0,0,0,0|2,0,0]=3 646 B15R1.128 CN(CCCC#N)Cc1ccc(cc1)I 64823bd1402ea3199a9304e73299e4b6 [0,1,0,0,0,0|2,0,0]=3 647 B15R1.128 CN(CCCC#N)Cc1ccc(nc1)Br c904478b7d7dc8e854fcaba8143eadad [0,1,0,0,0,0|3,0,0]=4 648 B15R1.128 CN(CCCC#N)Cc1ccc(nc1)Cl 91fa775acb1c2a9cea4ac215994ef8d4 [0,1,0,0,0,0|3,0,0]=4 649 B15R1.128 COCCNC(C)Cc1ccc(cc1)F 0078f01e61cb314f6277b3510f59035f [0,1,0,0,0,0|2,0,0]=3 650 B15R1.128 COCCOC(C)Cc1ccc(cc1)Br 5960c4250d91bf7eb9b42a34ed70dcd2 [0,1,0,0,0,0|3,0,0]=4 651 B15R1.128 COCCOC(C)Cc1ccc(cc1)C 7bc184f7a44283dbbf25ef0cd809bdf9 [0,1,0,0,0,0|3,0,0]=4 652 B15R1.128 COCCOC(C)Cc1ccc(cc1)Cl 3662c02b6a9f3435da3b05e619beb823 [0,1,0,0,0,0|3,0,0]=4 653 B15R1.128 COCCOC(C)Cc1ccc(cc1)F daab236a94615c234c9edb26cba8b8b6 [0,1,0,0,0,0|3,0,0]=4 654 B15R1.128 CSCCNC(C)Cc1ccc(cc1)F a9d9fb37ea9e30546a34ddaf3f49eabe [0,1,0,0,0,0|2,0,0]=3 655 B15R1.128 CSCCOC(C)Cc1ccc(cc1)Br 9ddb7fc5f6f9f1aa6e3e89839c075ea9 [0,1,0,0,0,0|3,0,0]=4 656 B15R1.128 CSCCOC(C)Cc1ccc(cc1)C 2714aa1b74862042a82d8be40321f913 [0,1,0,0,0,0|3,0,0]=4 657 B15R1.128 CSCCOC(C)Cc1ccc(cc1)Cl 674d1c69a3dff946771bba3a9a7a3969 [0,1,0,0,0,0|3,0,0]=4 658 B15R1.128 CSCCOC(C)Cc1ccc(cc1)F 30666cb3c582b7419a6239a6e62e0085 [0,1,0,0,0,0|3,0,0]=4 659 B15R1.128 Cc1ccc(cc1)CC(=O)NCCC#N b6c27cb5992563cb15d01d6dc150361b [0,1,0,0,0,0|1,0,1]=3 660 B15R1.128 Cc1ccc(cc1)CC(C)COCC#N 943645ac9e0dd6ef795de575dddd1ffc [0,1,0,0,0,0|2,0,0]=3 661 B15R1.128 Cc1ccc(cc1)CC(C)OCCC#N 29e71bc9193f8dab29f2dcf19db7ab33 [0,1,0,0,0,0|1,0,0]=2 662 B15R1.128 Cc1ccc(cc1)CC(C)OCCC=O 72c59e3855a0fd9ee38f5b7482d2ec93 [0,1,0,0,0,0|2,0,1]=4 663 B15R1.128 Cc1ccc(cc1)CC(C)OCCCF b10df0d5c3e63c1a776b06728532cace [0,1,0,0,0,0|2,0,1]=4 664 B15R1.128 Cc1ccc(cc1)CC(C)OCCCS 8e3e95c387123e33621e320c106768a9 [0,1,0,0,0,0|2,0,1]=4 665 B15R1.128 Cc1ccc(cc1)CC(C)OCSC#N 2d480ffb176e6aa66dcd7f0b2f8e7148 [0,1,0,0,0,0|2,0,0]=3 666 B15R1.128 Cc1ccc(cc1)CN(C)CCCC#N 303117f932cd1edcff42bf4ddf61406f [0,1,0,0,0,0|2,0,0]=3 667 B15R1.128 Cc1ccc(cc1)NC(=O)NCCC#N df0c51c249e5df26b98cc9048c10aef2 [0,1,0,0,0,0|2,0,1]=4 668 B15R1.128 Cc1ccc(cc1)NC(=S)NCCC#N e2815f2a188f1936d6ad38c4ea22f657 [0,1,0,0,0,0|2,0,1]=4 669 B15R1.128 Cc1ccc(cc1)OC(C)CNCC#N 0fe64bf531af8a7779922c06e7b835db [0,1,0,0,0,0|3,0,0]=4 670 B15R1.128 Cc1ccc(cn1)CC(=O)NCCC#N 64b10e4eeb72a2f01930e3df2d60f85e [0,1,0,0,0,0|2,0,1]=4 671 B15R1.128 Cc1ccc(cn1)CN(C)CCCC#N 994b487ef9b117369595889e85e18830 [0,1,0,0,0,0|3,0,0]=4 672 B15R1.128 Cc1ccc(nc1)CC(=O)NCCC#N 83137dfa85a25462cc6989639287dff8 [0,1,0,0,0,0|2,0,1]=4 673 B15R1.128 Cc1ccc(nc1)CN(C)CCCC#N 3ad08d7143c7e9d80585f2a012f6fd43 [0,1,0,0,0,0|3,0,0]=4 674 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Br e4d86a7fa855727ad1f3f8ca463a63d5 [0,1,0,0,0,0|1,0,1]=3 675 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Cl 8f214ad07e2482f35a071ea4357685e5 [0,1,0,0,0,0|1,0,1]=3 676 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F feed9c650c3fb86a542bba0e9edc5589 [0,1,0,0,0,0|1,0,1]=3 677 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)I f5fa04d2d805b68fe53119ba526a5aa5 [0,1,0,0,0,0|1,0,1]=3 678 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)O 2c039bea0ef78a2cd317a96961b59730 [0,1,0,0,0,0|1,0,1]=3 679 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)S 8fe9475e08630c5a2f2871ada39eb433 [0,1,0,0,0,0|1,0,1]=3 680 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Br a44e9292d024f03941dfac02909ea08b [0,1,0,0,0,0|2,0,1]=4 681 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl e4376a0de3461ecac1abc0cb38a35dde [0,1,0,0,0,0|2,0,1]=4 682 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)F 732574137010754b9b1a380209e88f0f [0,1,0,0,0,0|2,0,1]=4 683 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)I cb5717cbddf7c0cbcbed33343caa976b [0,1,0,0,0,0|2,0,1]=4 684 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)O a30049b22308ecee85f1336a7155b327 [0,1,0,0,0,0|2,0,1]=4 685 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Br 21f327d454f5bebab77efffb1769690c [0,1,0,0,0,0|2,0,1]=4 686 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Cl f6b5b7c1e489c6a4c1efaef68eb31e15 [0,1,0,0,0,0|2,0,1]=4 687 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)F de4c7d428b2dc7b44840a175ceb12e9a [0,1,0,0,0,0|2,0,1]=4 688 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)O 13bc8e15cff88ad1aa6ecc2427d6e564 [0,1,0,0,0,0|2,0,1]=4 689 B15R1.128 N#CCCNC(=O)Cn1ccc(=O)cc1 09e34b803fe33bf893998939ee389381 [0,1,0,0,0,0|2,0,1]=4 690 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)Br 8e31042e5f109689f874c6a0b9e9cbfe [0,1,0,0,0,0|2,0,1]=4 691 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)Cl 6d988defe76f37750ede3bd2fa4e6384 [0,1,0,0,0,0|2,0,1]=4 692 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)F e451fe771485e2140b7c5d4fdd57360d [0,1,0,0,0,0|2,0,1]=4 693 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)S 11c01ba0f43371150e236a23976c0772 [0,1,0,0,0,0|2,0,1]=4 694 B15R1.128 N#CCCNC(=S)Nc1ccc(cc1)Br db46f593f821c8dd92994d51fffb05ee [0,1,0,0,0,0|2,0,1]=4 695 B15R1.128 N#CCCNC(=S)Nc1ccc(cc1)Cl ea30f0980a6e2b23da0b5ea9c81e11da [0,1,0,0,0,0|2,0,1]=4 696 B15R1.128 N#CCCNC(=S)Nc1ccc(cc1)F 286e1ecf654dcaa2150fad5ebf083e34 [0,1,0,0,0,0|2,0,1]=4 697 B15R1.128 N#CCCNC(=S)Nc1ccc(cc1)I 2c7e42cf01fe4c11fd4d8f4fd6f6c7c8 [0,1,0,0,0,0|2,0,1]=4 698 B15R1.128 N#CCCNC(=S)Nc1ccc(cc1)N 46820276ba1438a7d502743b583b5162 [0,1,0,0,0,0|2,0,1]=4 699 B15R1.128 N#CCCNC(=S)Nc1ccc(cc1)O d9fb6fc91fe98b18a4748e19cfdfa245 [0,1,0,0,0,0|2,0,1]=4 700 B15R1.128 N#CCCNC(=S)Nc1ccc(cc1)S 15248e83ca9e1ce594bc51a5420911e7 [0,1,0,0,0,0|2,0,1]=4 701 B15R1.129 C#CCCCN(C)Cc1cccc(c1)Br 69946e01653df4bc557d67b4347594af [0,1,0,0,0,0|3,0,0]=4 702 B15R1.129 C#CCCCN(C)Cc1cccc(c1)C b696ae73c306f55693e3faf793bb61f8 [0,1,0,0,0,0|3,0,0]=4 703 B15R1.129 C#CCCCN(C)Cc1cccc(c1)Cl 8d6af02e29e3e472e905f057388504f0 [0,1,0,0,0,0|3,0,0]=4 704 B15R1.129 C#CCCCN(C)Cc1cccc(c1)F cf60d496a3b36bfa24b7d98cd046d405 [0,1,0,0,0,0|3,0,0]=4 705 B15R1.129 C#CCCCN(C)Cc1cccc(c1)I 5d29ebea725e8e5d7f85f852b59a5eb5 [0,1,0,0,0,0|3,0,0]=4 706 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Br 3d20302393c7278dfb91db695c653571 [0,1,0,0,0,0|2,0,1]=4 707 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)C f3d713b38ff233c4105ad986c840be34 [0,1,0,0,0,0|2,0,1]=4 708 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Cl ed16b7ab933629e2d4dbac6dc41cd83d [0,1,0,0,0,0|2,0,1]=4 709 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)F 88db19bdc22e04a0fe75415949fe0854 [0,1,0,0,0,0|2,0,1]=4 710 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)I 9a476d4739f6d95924221eed9abc4449 [0,1,0,0,0,0|2,0,1]=4 711 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)O c1301702c5e2f6f992461d56ce9a1950 [0,1,0,0,0,0|2,0,1]=4 712 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)S 2d4f8946e04ff51b50f75e0330a386b5 [0,1,0,0,0,0|2,0,1]=4 713 B15R1.129 C#CCCNC(C)Cc1cccc(c1)F 7ee6f8cf0ac1878e271a57390acb4771 [0,1,0,0,0,0|1,0,0]=2 714 B15R1.129 C#CCCN[C@@H](C)Cc1cccc(c1)Cl 51978a48b2f79052119f08b3ccc18de4 [0,1,0,0,0,0|1,0,0]=2 715 B15R1.129 C#CCCOC(C)Cc1cc(ccn1)C 438371b567177c616296cb4ee8d0fa04 [0,1,0,0,0,0|3,0,0]=4 716 B15R1.129 C#CCCOC(C)Cc1cccc(c1)C 8a4e447f580545cce381970d21a69576 [0,1,0,0,0,0|2,0,0]=3 717 B15R1.129 C#CCCOC(C)Cc1cccc(c1)Cl 82921979101997c14191a63a6c3cbd02 [0,1,0,0,0,0|2,0,0]=3 718 B15R1.129 C#CCCOC(C)Cc1cccc(c1)F 9040589f354f4b6dcd2a0b737ca59fdb [0,1,0,0,0,0|2,0,0]=3 719 B15R1.129 C#CCCOC(C)Cc1cccc(n1)C d54671c3e83fb4458a0706a8391271d9 [0,1,0,0,0,0|3,0,0]=4 720 B15R1.129 C#CCCOC(C)Cc1cccc(n1)F 4d0560ded29eb1abedf9b2fdd605f72c [0,1,0,0,0,0|3,0,0]=4 721 B15R1.129 C#CCOCC(C)Cc1cccc(c1)C f7ea5117558421cb3dbbe3183ae5b410 [0,1,0,0,0,0|3,0,0]=4 722 B15R1.129 C#CCOCC(C)Cc1cccc(c1)F 60d413be3ffdf516b76f13690c8f9113 [0,1,0,0,0,0|3,0,0]=4 723 B15R1.129 C/C=C/CN[C@@H](C)Cc1cccc(c1)Cl 348f435bfe00907a6de265498aa6ec9b [0,1,0,0,0,0|1,0,2]=4 724 B15R1.129 C/C=C\CN[C@@H](C)Cc1cccc(c1)Cl 542fd73228745aa7b774a4d28bc56d94 [0,1,0,0,0,0|1,0,2]=4 725 B15R1.129 C=CCCNC(C)Cc1cccc(c1)F 04dcd99db4389d199494b9d25bd60f66 [0,1,0,0,0,0|1,0,1]=3 726 B15R1.129 C=CCCN[C@@H](C)Cc1cccc(c1)Cl d5ceaa7d137b138260fbf34e641a93a9 [0,1,0,0,0,0|1,0,1]=3 727 B15R1.129 C=CCCOC(C)Cc1cccc(c1)C 414e002dd58c3d5541c2507d477e75ce [0,1,0,0,0,0|2,0,1]=4 728 B15R1.129 C=CCCOC(C)Cc1cccc(c1)Cl 9037239a9e35192b3d8d29c153977628 [0,1,0,0,0,0|2,0,1]=4 729 B15R1.129 C=CCCOC(C)Cc1cccc(c1)F 6cdfabc8fa1527244f9e7a997d7d3d4b [0,1,0,0,0,0|2,0,1]=4 730 B15R1.129 CC(COCC#N)Cc1cccc(c1)F 0ceaf3cdd0032768f43813463efd37a2 [0,1,0,0,0,0|2,0,0]=3 731 B15R1.129 CC(COCC#N)Oc1cccc(c1)Br c292e46aa145f7bcd54b2bf0c6862045 [0,1,0,0,0,0|3,0,0]=4 732 B15R1.129 CC(Cc1cccc(c1)Cl)OCCC#N e17797e6c110ec7acc6098160d3b7b82 [0,1,0,0,0,0|1,0,0]=2 733 B15R1.129 CC(Cc1cccc(c1)Cl)OCCC=O c5b284324a83afa24f6cf7088862dd00 [0,1,0,0,0,0|2,0,1]=4 734 B15R1.129 CC(Cc1cccc(c1)Cl)OCCCF cc01df3ac9bb78ee413d66200aee1f09 [0,1,0,0,0,0|2,0,1]=4 735 B15R1.129 CC(Cc1cccc(c1)Cl)OCCCS 4f1a41c7e9efb0a4d0b1a7c398ed6f19 [0,1,0,0,0,0|2,0,1]=4 736 B15R1.129 CC(Cc1cccc(c1)Cl)OCSC#N 6bc22cec9b847bb0a23ccfb7c9690706 [0,1,0,0,0,0|2,0,0]=3 737 B15R1.129 CC(Cc1cccc(c1)F)NCCC#N 7d92c3ea352f5001f2e6c95f39b783ce [0,1,0,0,0,0|0,0,0]=1 738 B15R1.129 CC(Cc1cccc(c1)F)NCCCCl 818fa0747d9ed3f1b80b139ade7921cf [0,1,0,0,0,0|1,0,1]=3 739 B15R1.129 CC(Cc1cccc(c1)F)NCCCO 4244dff31b49d3a9ab3428ea90804a94 [0,1,0,0,0,0|1,0,1]=3 740 B15R1.129 CC(Cc1cccc(c1)F)NCCON f2cd3a27a74404397e2f30f669b0eedd [0,1,0,0,0,0|1,0,1]=3 741 B15R1.129 CC(Cc1cccc(c1)F)OCCC#N af4e45f78d3040e700e18157a9e19b1c [0,1,0,0,0,0|1,0,0]=2 742 B15R1.129 CC(Cc1cccc(c1)F)OCCC=O d2d3844d0c52770b536fa9f001ecddbb [0,1,0,0,0,0|2,0,1]=4 743 B15R1.129 CC(Cc1cccc(c1)F)OCCCF 2faa0c58302db0ac4bd440ec8edb4db4 [0,1,0,0,0,0|2,0,1]=4 744 B15R1.129 CC(Cc1cccc(c1)F)OCCCS 51d8a52ae06469ca2ce46f28ba26df1a [0,1,0,0,0,0|2,0,1]=4 745 B15R1.129 CC(Cc1cccc(c1)F)OCSC#N e8052a5e85a4feb23136cc1d4a735c71 [0,1,0,0,0,0|2,0,0]=3 746 B15R1.129 CC(Cc1cccc(n1)F)OCCC#N a119a198909385454c80fe467aaca6c5 [0,1,0,0,0,0|2,0,0]=3 747 B15R1.129 CC=CCNC(C)Cc1cccc(c1)F dd1f2f8b932ac02ca027a6d7fe946832 [0,1,0,0,0,0|1,0,2]=4 748 B15R1.129 CCCCNC(C)Cc1cccc(c1)F 7cf716a2d206d7dbdeedd7b47af10539 [0,1,0,0,0,0|1,0,1]=3 749 B15R1.129 CCCCN[C@@H](C)Cc1cccc(c1)Cl 2cf66d82fa5ebbb646daccb5c3cd8bf4 [0,1,0,0,0,0|1,0,1]=3 750 B15R1.129 CCCCOC(C)Cc1cccc(c1)C c789259f7a943b30bc828777853f1d1f [0,1,0,0,0,0|2,0,1]=4 751 B15R1.129 CCCCOC(C)Cc1cccc(c1)Cl 3cac7576e06684ac79974f64fce134b8 [0,1,0,0,0,0|2,0,1]=4 752 B15R1.129 CCCCOC(C)Cc1cccc(c1)F a7f7258efd766f43b4de762561ef8706 [0,1,0,0,0,0|2,0,1]=4 753 B15R1.129 CN(CCCC#N)Cc1cc(ccn1)Cl 1c6d476aa4b0bd17d08771ed934dc382 [0,1,0,0,0,0|3,0,0]=4 754 B15R1.129 CN(CCCC#N)Cc1cccc(c1)Br a5bad820ea7d478aaf9e9f50af97fae3 [0,1,0,0,0,0|2,0,0]=3 755 B15R1.129 CN(CCCC#N)Cc1cccc(c1)Cl 3e263249afb78c10b2c7915df0a1b138 [0,1,0,0,0,0|2,0,0]=3 756 B15R1.129 CN(CCCC#N)Cc1cccc(c1)F 29fd3c76ddd5f98dbd47aea17ad903ac [0,1,0,0,0,0|2,0,0]=3 757 B15R1.129 CN(CCCC#N)Cc1cccc(c1)I c5d114609a2374fe5a2ff5c38d8fd60f [0,1,0,0,0,0|2,0,0]=3 758 B15R1.129 CN(CCCC#N)Cc1cccc(n1)Br c7cfc617ea4cc3c77ce7df057cbef8bd [0,1,0,0,0,0|3,0,0]=4 759 B15R1.129 CN(CCCC#N)Cc1ccnc(c1)Cl 085d4755251a3e1e02ef4a2b16be14af [0,1,0,0,0,0|3,0,0]=4 760 B15R1.129 CN(CCCC#N)Cc1cncc(c1)Br 7eeec8f5a10e2197c6cf87483e9b16f4 [0,1,0,0,0,0|3,0,0]=4 761 B15R1.129 CN(CCCC#N)Cc1cncc(c1)F 866cf216a9c1f364fbc38b0c82b6121e [0,1,0,0,0,0|3,0,0]=4 762 B15R1.129 COCCNC(C)Cc1cccc(c1)F 6760c28c6533ecc6853c1794cda9be70 [0,1,0,0,0,0|2,0,0]=3 763 B15R1.129 COCCN[C@@H](C)Cc1cccc(c1)Cl 471525e2b0d7eb94de5ff0896dda892b [0,1,0,0,0,0|2,0,0]=3 764 B15R1.129 COCCOC(C)Cc1cccc(c1)C a9aee2faad78947323f21b4ce28fa94a [0,1,0,0,0,0|3,0,0]=4 765 B15R1.129 COCCOC(C)Cc1cccc(c1)Cl e4b21695d193ae868adfe13f39c4cead [0,1,0,0,0,0|3,0,0]=4 766 B15R1.129 COCCOC(C)Cc1cccc(c1)F 87814f8a6072e95641dea47a8dc62794 [0,1,0,0,0,0|3,0,0]=4 767 B15R1.129 CSCCNC(C)Cc1cccc(c1)F 019f59c391e6c29b349c12d55050a9c8 [0,1,0,0,0,0|2,0,0]=3 768 B15R1.129 CSCCN[C@@H](C)Cc1cccc(c1)Cl ef9e1741a16aa7094f0d2f66f21c62c5 [0,1,0,0,0,0|2,0,0]=3 769 B15R1.129 CSCCOC(C)Cc1cccc(c1)C a4c1d435d25922c16d606e5fc8e1fd10 [0,1,0,0,0,0|3,0,0]=4 770 B15R1.129 CSCCOC(C)Cc1cccc(c1)Cl f2eb782765b4da8fa4d7ce04ec24a19e [0,1,0,0,0,0|3,0,0]=4 771 B15R1.129 CSCCOC(C)Cc1cccc(c1)F 41396aa6c69256dfdd25c5d03f4f97ac [0,1,0,0,0,0|3,0,0]=4 772 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NC/C=C/Cl 1f1dacbb8047c5f7a9a212a800c81e09 [0,1,0,0,0,0|1,0,2]=4 773 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NC/C=C\Cl dab5bd650e03490739285d62fbc14f11 [0,1,0,0,0,0|1,0,2]=4 774 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NC/C=C\O 7fd18f4bbea279aa95ef404082c7c72d [0,1,0,0,0,0|1,0,2]=4 775 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NCCC#N fc121b34302587080b4d21870f3dc99f [0,1,0,0,0,0|0,0,0]=1 776 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NCCC=O a7dd38fa4e3ac34e152368733abc01d2 [0,1,0,0,0,0|1,0,1]=3 777 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NCCCF bf1e785a8df28d636ed83a5d92d2f367 [0,1,0,0,0,0|1,0,1]=3 778 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NCCCO 03a6bc0a9d707991c4d062f75b3b6ff5 [0,1,0,0,0,0|1,0,1]=3 779 B15R1.129 C[C@@H](Cc1cccc(c1)Cl)NCCCS 10735f61112f1ca6f757932d1115cf9b [0,1,0,0,0,0|1,0,1]=3 780 B15R1.129 Cc1cc(ccn1)CC(=O)NCCC#N e898d39c0791e501bc0555b480ee1f73 [0,1,0,0,0,0|2,0,1]=4 781 B15R1.129 Cc1cc(ccn1)CN(C)CCCC#N 7f8c77b32b4b35c489b940d97ee244b7 [0,1,0,0,0,0|3,0,0]=4 782 B15R1.129 Cc1cccc(c1)CC(=O)NCCC#N ad866ccd055055f008e3483a40ffef4a [0,1,0,0,0,0|1,0,1]=3 783 B15R1.129 Cc1cccc(c1)CC(C)COCC#N 13763a4b48bb84d025448de2637e09b9 [0,1,0,0,0,0|2,0,0]=3 784 B15R1.129 Cc1cccc(c1)CC(C)OCCC#N c0a733a31a230b2dcde70aa4a4a0afe2 [0,1,0,0,0,0|1,0,0]=2 785 B15R1.129 Cc1cccc(c1)CC(C)OCCC=O 4814ba65be782d01931a63fda4052221 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.129 Cc1cccc(c1)CC(C)OCCCF f7dd19276ffb2e8985bc90e5ca03c6ab [0,1,0,0,0,0|2,0,1]=4 787 B15R1.129 Cc1cccc(c1)CC(C)OCCCS 9318b639dac0e3766dd6ef988b7c4fd7 [0,1,0,0,0,0|2,0,1]=4 788 B15R1.129 Cc1cccc(c1)CC(C)OCSC#N 83f7534e555d5947fa81dc511e6d55c6 [0,1,0,0,0,0|2,0,0]=3 789 B15R1.129 Cc1cccc(c1)CC(O)CNCC#N e0543520f34182b4cd63571be26bf296 [0,1,0,0,0,0|3,0,0]=4 790 B15R1.129 Cc1cccc(c1)CN(C)CCCC#N f80970a34ea22b6cf70464945d3a406c [0,1,0,0,0,0|2,0,0]=3 791 B15R1.129 Cc1cccc(c1)NC(=S)NCCC#N f0d63e3bedfb8775cac75a03a113fe41 [0,1,0,0,0,0|2,0,1]=4 792 B15R1.129 Cc1cccc(n1)CC(=O)NCCC#N e0db56210e6aa455e17c8a2701c431a8 [0,1,0,0,0,0|2,0,1]=4 793 B15R1.129 Cc1cccc(n1)CC(C)OCCC#N 564e104dc5505b5f60f71c1f9088ba0a [0,1,0,0,0,0|2,0,0]=3 794 B15R1.129 Cc1cccc(n1)CC(C)OCSC#N d394dc31235618476957bdb113a1145c [0,1,0,0,0,0|3,0,0]=4 795 B15R1.129 Cc1cccc(n1)CN(C)CCCC#N ed42369ddb1339a4631240cfa1aba27a [0,1,0,0,0,0|3,0,0]=4 796 B15R1.129 Cc1ccnc(c1)CC(=O)NCCC#N bbffcb2444b18f08b1745a74d7639d55 [0,1,0,0,0,0|2,0,1]=4 797 B15R1.129 Cc1ccnc(c1)CC(C)OCCC#N 564d2c7ce8ac989d6efdc16cf94a17a1 [0,1,0,0,0,0|2,0,0]=3 798 B15R1.129 Cc1ccnc(c1)CC(C)OCSC#N a2c036512424f2f7fd7d2bfab290c274 [0,1,0,0,0,0|3,0,0]=4 799 B15R1.129 Cc1ccnc(c1)CN(C)CCCC#N 871f03bca82af0d2715e3295f533988b [0,1,0,0,0,0|3,0,0]=4 800 B15R1.129 Cc1cncc(c1)CC(=O)NCCC#N 51ed9d4e020a6081d67c948dbc9e99a7 [0,1,0,0,0,0|2,0,1]=4 801 B15R1.129 N#CCCNC(=O)Cc1cc(ccn1)Br c8951b87396b29c0b9f51c499e8f55d0 [0,1,0,0,0,0|2,0,1]=4 802 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Br b58f99e498d59eb6206a6fb8781403d1 [0,1,0,0,0,0|1,0,1]=3 803 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Cl 4defd5f68e007a37490ccd9e647cb082 [0,1,0,0,0,0|1,0,1]=3 804 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)F 2d80257f0af51feefbb5578603a2d6eb [0,1,0,0,0,0|1,0,1]=3 805 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)I a793eb1f17d78ef80d2ccb0dee78e629 [0,1,0,0,0,0|1,0,1]=3 806 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)O 8e3ac0ca4c637a0dfb2ecc1905b50cee [0,1,0,0,0,0|1,0,1]=3 807 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)S 2ddafc0afaacf4ce50c55f73a14fc57c [0,1,0,0,0,0|1,0,1]=3 808 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Br 54d19882d62a9d2e5e29140bd9599761 [0,1,0,0,0,0|2,0,1]=4 809 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Cl ddd000f226718155b72d090e26570d67 [0,1,0,0,0,0|2,0,1]=4 810 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)F d22dbadd2197ed48760e6c8400b1eb9a [0,1,0,0,0,0|2,0,1]=4 811 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Br 2d2caf37a44ae2a35d1fbd18b32bd9a5 [0,1,0,0,0,0|2,0,1]=4 812 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Cl 6461f9fab4b511d0ef92396e903ae993 [0,1,0,0,0,0|2,0,1]=4 813 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)F 717e0f10963dea601b07d57cbda31000 [0,1,0,0,0,0|2,0,1]=4 814 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)Br d4f7c2faeb4513a8ba6ffd5920bf4b46 [0,1,0,0,0,0|2,0,1]=4 815 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)Cl acba9eb772548bac4901e957e521b770 [0,1,0,0,0,0|2,0,1]=4 816 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)F 0f55cbf0eee2faf5ff0b80fa20c5be2e [0,1,0,0,0,0|2,0,1]=4 817 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Cl 4d336d6e948c8a53103220b5410e3a85 [0,1,0,0,0,0|2,0,1]=4 818 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)F d3a95c8f2702bdf98a8f4a67780f95d8 [0,1,0,0,0,0|2,0,1]=4 819 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)I 3e3a48036f44cb4296809863d56675eb [0,1,0,0,0,0|2,0,1]=4 820 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)O f9b727ff14641ba7ebf77e426b059b42 [0,1,0,0,0,0|2,0,1]=4 821 B15R1.129 N#CCCNC(=S)Nc1cccc(c1)Br 91cdd856bbf10c6909f4ef3a00db9bc1 [0,1,0,0,0,0|2,0,1]=4 822 B15R1.129 N#CCCNC(=S)Nc1cccc(c1)Cl c027db329765f23a645310aed1e03ae7 [0,1,0,0,0,0|2,0,1]=4 823 B15R1.129 N#CCCNC(=S)Nc1cccc(c1)F c15b17077d1b2c5d7d8c420b0b6093cd [0,1,0,0,0,0|2,0,1]=4 824 B15R1.129 N#CCCNC(=S)Nc1cccc(c1)I 77fff20ce664ca110567a4bef3da0362 [0,1,0,0,0,0|2,0,1]=4 825 B15R1.129 N#CCCNC(=S)Nc1cccc(c1)N a36b30cbf1406e67f642f617f6450966 [0,1,0,0,0,0|2,0,1]=4 826 B15R1.129 N#CCCNC(=S)Nc1cccc(c1)O f12ba5e92ebf82ee2ef39f200eb7cb03 [0,1,0,0,0,0|2,0,1]=4 827 B15R1.129 N#CCCNC(=S)Nc1cccc(c1)S 4afc615eb65b73b9344786232adfd25a [0,1,0,0,0,0|2,0,1]=4 828 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 b29dd1d8e62e8c8f5b9abe1e09001b69 [0,1,0,0,0,0|3,0,0]=4 829 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 67670090e0480efbaf5cfea62cd9d917 [0,1,0,0,0,0|2,0,0]=3 830 B15R1.551 C#CCCN(C)C(C)Cc1cccnc1 0141845bbc56e3edc67c92aa5338cb97 [0,1,0,0,0,0|2,0,0]=3 831 B15R1.551 C#CCCN(C)C(C)Cc1cnccn1 7273697230d59f401f925ab07e9550c0 [0,1,0,0,0,0|3,0,0]=4 832 B15R1.551 C=CCCN(C)C(C)Cc1ccccc1 bba159a8706eee072302b49114e7fcc6 [0,1,0,0,0,0|1,0,1]=3 833 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 27d004c9b75ed9fabb60b1ff696bc92e [0,1,0,0,0,0|2,0,1]=4 834 B15R1.551 C=CCCN(C)C(C)Cc1cccnc1 dc2ac915dd4bec70afdbc2cb3afcf21a [0,1,0,0,0,0|2,0,1]=4 835 B15R1.551 CC(CCC#N)N(C)Cc1ccccc1 28c46a24217109e7bb26e7ea82312960 [0,1,0,0,0,0|2,0,0]=3 836 B15R1.551 CC(CCC#N)N(C)Cc1ccccn1 e7169718a05c4b6c2599256f316894d5 [0,1,0,0,0,0|3,0,0]=4 837 B15R1.551 CC(CCC#N)N(C)Cc1cccnc1 bf6baf3bbeddc5953f4abfecbd548ada [0,1,0,0,0,0|3,0,0]=4 838 B15R1.551 CC(CCC#N)N(C)Cc1ccncc1 2b4f6730ec55d8f32730f2c21158c842 [0,1,0,0,0,0|3,0,0]=4 839 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 8c99315991e1002bae402d764e623c9a [0,1,0,0,0,0|1,0,0]=2 840 B15R1.551 CC(Cc1ccccn1)N(C)CCC=O ee5b7b14f1e3a0b9f56ad740c9ed7b33 [0,1,0,0,0,0|2,0,1]=4 841 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 24e4e03458ccbdbf31debc9c86110bfe [0,1,0,0,0,0|2,0,1]=4 842 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 10cc2d06b2dfa2d780450a7d6021d09e [0,1,0,0,0,0|2,0,1]=4 843 B15R1.551 CC(Cc1ccccn1)N(C)CCCS 27e722c0bdc1ca2859ef474ea2bd4dde [0,1,0,0,0,0|2,0,1]=4 844 B15R1.551 CC(Cc1cccnc1)N(C)CCC#N 47673b3bc7b87cba319296ffa7500d9a [0,1,0,0,0,0|1,0,0]=2 845 B15R1.551 CC(Cc1cccnc1)N(C)CCC=O aafb3af2c7874b928074f63e3052015f [0,1,0,0,0,0|2,0,1]=4 846 B15R1.551 CC(Cc1cccnc1)N(C)CCCF 3711a29ab24aab504e6d6fc8d5f4de9c [0,1,0,0,0,0|2,0,1]=4 847 B15R1.551 CC(Cc1cccnc1)N(C)CCCO 147033171e3820eb94ef0a42eb499577 [0,1,0,0,0,0|2,0,1]=4 848 B15R1.551 CC(Cc1cccnc1)N(C)CCCS 2a3b1845592f10e10b02f6e45b59ee5a [0,1,0,0,0,0|2,0,1]=4 849 B15R1.551 CC(Cc1cnccn1)N(C)CCC#N 78038955d7ad6ad3fe2d44ce9a28c3f6 [0,1,0,0,0,0|2,0,0]=3 850 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 59a36c9e33ca221597d5d2129bd496b2 [0,1,0,0,0,0|2,0,1]=4 851 B15R1.551 CCCCN(C)C(C)Cc1cccnc1 54779a84a99630c0e5dfbc19741987a0 [0,1,0,0,0,0|2,0,1]=4 852 B15R1.551 CN(CCC#N)C(=O)Cc1ccccn1 e27682cfeaa7dae42e35ef0b086bcef0 [0,1,0,0,0,0|2,0,1]=4 853 B15R1.551 CN(CCC#N)C(=O)Cc1cccnc1 cb526ded18424831eb4e6ff7a9318bea [0,1,0,0,0,0|2,0,1]=4 854 B15R1.551 CN(CCC#N)C(=O)Cc1ccncc1 97b104b4370fb1ca07110d57a2e60ea6 [0,1,0,0,0,0|2,0,1]=4 855 B15R1.551 CN(CCC#N)C(=O)Nc1ccccc1 2b97082c12263506ff0e55e1ce8c2511 [0,1,0,0,0,0|2,0,1]=4 856 B15R1.551 CN(CCC#N)C(=S)Nc1ccccc1 2a41e2300cc9e019ec2d0417726ee859 [0,1,0,0,0,0|2,0,1]=4 857 B15R1.551 CN(Cc1ccccc1)C(=O)CCC#N ef0bc4867d173fba4c03a97681da81d2 [0,1,0,0,0,0|2,0,0]=3 858 B15R1.551 CN(Cc1ccccc1)C(=O)CNC#N a0c02a8a17970e43fd40bd4f0b76ec4c [0,1,0,0,0,0|3,0,0]=4 859 B15R1.551 CN(Cc1ccccc1)C(=O)NCC#N 22235f7f9a79026e3add02206a575cca [0,1,0,0,0,0|3,0,0]=4 860 B15R1.551 CN(Cc1ccccc1)C(=S)NCC#N 20f7b6533cda6828ce16eb128870075a [0,1,0,0,0,0|3,0,0]=4 861 B15R1.551 CN(Cc1ccccn1)C(=O)CCC#N 33f97a4a0582ac0ac111759c9501869d [0,1,0,0,0,0|3,0,0]=4 862 B15R1.551 CN(Cc1cccnc1)C(=O)CCC#N 262a454f407d6fbbf14498d710c25e02 [0,1,0,0,0,0|3,0,0]=4 863 B15R1.551 CN(Cc1ccncc1)C(=O)CCC#N d1ec207cdf9348e46b25d6e016e4abad [0,1,0,0,0,0|3,0,0]=4 864 B15R1.551 COCCN(C)C(C)Cc1ccccn1 8601f673cee7c82fc1a1f8619628b4a8 [0,1,0,0,0,0|3,0,0]=4 865 B15R1.551 COCCN(C)C(C)Cc1cccnc1 c106c30ccf0a6aba87d1d781f1ff7208 [0,1,0,0,0,0|3,0,0]=4 866 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 993204adca089f4c47b1fd7777322ece [0,1,0,0,0,0|3,0,0]=4 867 B15R1.551 CSCCN(C)C(C)Cc1cccnc1 64c3f4b1bdd19e9afebbbc8680bd1f4b [0,1,0,0,0,0|3,0,0]=4 868 B15R1.551 N#CCNC(=O)C(O)Cc1ccccc1 6a632c0f392221153fea35cad7d6098a [0,1,0,0,0,0|3,0,0]=4 869 B15R1.551 N#CCNC(=O)C(S)Cc1ccccc1 5709df88e9f60f1b0c94fd571ea7bf86 [0,1,0,0,0,0|3,0,0]=4 870 B15R1.551 N#CCNC(=O)[C@@H](O)Cc1ccccc1 346870aec15f19994b864db52c21f093 [0,1,0,0,0,0|3,0,0]=4 871 B15R1.551 N#CCNC(=O)[C@H](O)Cc1ccccc1 28c5ad310d1324f1e86ad5666a061f27 [0,1,0,0,0,0|3,0,0]=4 872 B15R1.809 C#CCC(=O)NC(C)Cc1ccccn1 c42b6073e188ec4cd77ccc02c8d97bf8 [0,1,0,0,0,0|2,0,1]=4 873 B15R1.809 C#CCC(=O)NC(C)Cc1cccnc1 9b697babe3a3a32c5b063101b46d9c21 [0,1,0,0,0,0|2,0,1]=4 874 B15R1.809 C#CCC(=O)NC(C)Cc1ccncc1 55a3c23a204971d8aae98f2424a1857c [0,1,0,0,0,0|2,0,1]=4 875 B15R1.809 C=CCC(C)OC(C)Cc1ccccc1 be4ffe80fa6f3151a3a2277e2388fce5 [0,1,0,0,0,0|2,0,1]=4 876 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 2107d4aa3a9178e235574b936d5ee820 [0,1,0,0,0,0|2,0,1]=4 877 B15R1.809 C=CC[C@H](C)OC(C)Cc1ccccc1 aee2f52bf6fc6e6fe0216b58b3e0e4f1 [0,1,0,0,0,0|2,0,1]=4 878 B15R1.809 CC#CC(C)OC(C)Cc1ccccc1 d0c6e571cf42ba52a4f301f3056a8a35 [0,1,0,0,0,0|2,0,1]=4 879 B15R1.809 CC(CC#N)NC(=O)Cc1ccccn1 2a85db17482fcb40d667365df5a5fb07 [0,1,0,0,0,0|2,0,1]=4 880 B15R1.809 CC(CC#N)NC(=O)Cc1cccnc1 451c424804eef5a6b26d2eef494b6550 [0,1,0,0,0,0|2,0,1]=4 881 B15R1.809 CC(CC#N)NC(=O)Cc1ccncc1 ece4e542d6ac78b1aa451a183caf674c [0,1,0,0,0,0|2,0,1]=4 882 B15R1.809 CC(CC#N)NC(=S)Nc1ccccc1 ac3a36a8ac29262669d422a32a35c181 [0,1,0,0,0,0|2,0,1]=4 883 B15R1.809 CC(CC#N)NC(C)Cc1ccccn1 0ab153ce7537f21caf9706551cbc44b1 [0,1,0,0,0,0|1,0,0]=2 884 B15R1.809 CC(CC#N)NC(C)Cc1cccnc1 3fd26f639b3ec4d19a3986b39f80fbc8 [0,1,0,0,0,0|1,0,0]=2 885 B15R1.809 CC(CC#N)NC(C)Cc1ccncc1 555cc38e5161b20222be2f473234d597 [0,1,0,0,0,0|1,0,0]=2 886 B15R1.809 CC(CC#N)NC(C)Cc1cnccn1 e715ba278069f8563d3ec4c861710a1f [0,1,0,0,0,0|2,0,0]=3 887 B15R1.809 CC(CC#N)OC(C)Cc1ccccc1 ad74f3f988bca1ee5b519a90348ad04b [0,1,0,0,0,0|1,0,0]=2 888 B15R1.809 CC(CC#N)OC(C)Cc1ccccn1 400fb86831451d11b9defaf9648793af [0,1,0,0,0,0|2,0,0]=3 889 B15R1.809 CC(CC#N)OC(C)Cc1cnccn1 e5ba52672b7c65d726f7c0f5e25975b5 [0,1,0,0,0,0|3,0,0]=4 890 B15R1.809 CC(CC#N)O[C@@H](C)Cc1ccccc1 cc2b39be19f760fe1727af8faaa2c4a3 [0,1,0,0,0,0|1,0,0]=2 891 B15R1.809 CC(CC#N)O[C@H](C)Cc1ccccc1 aa9d109ef27eb9585d60958dacbadf64 [0,1,0,0,0,0|1,0,0]=2 892 B15R1.809 CC(CCO)NC(C)Cc1cccnc1 7f35d53511c4a598094e203d6c385973 [0,1,0,0,0,0|2,0,1]=4 893 B15R1.809 CC(Cc1ccccn1)NC(=O)CC#N afe4be1722e19b479c31a05490cc54ad [0,1,0,0,0,0|1,0,1]=3 894 B15R1.809 CC(Cc1ccccn1)NC(=S)NC#N ad012c0f4c51d4d02cde96cd6cbd5393 [0,1,0,0,0,0|2,0,1]=4 895 B15R1.809 CC(Cc1cccnc1)NC(=O)CC#N ff612692d3564e8c849e6679c4020508 [0,1,0,0,0,0|1,0,1]=3 896 B15R1.809 CC(Cc1ccncc1)NC(=O)CC#N 150e478a5fa8b65f6a433633f6e6183a [0,1,0,0,0,0|1,0,1]=3 897 B15R1.809 CC(Cc1cnccn1)NC(=O)CC#N 6ccdefeb2b8ab2231d1eb248617e501a [0,1,0,0,0,0|2,0,1]=4 898 B15R1.809 CN(Cc1ccccc1)CC(O)CC#N c18eb740c058fe5c16d14fdb39ae8b68 [0,1,0,0,0,0|2,0,0]=3 899 B15R1.809 CN(Cc1ccccc1)C[C@@H](O)CC#N 80c1c0b14c7f6598919dd239814dee7a [0,1,0,0,0,0|2,0,0]=3 900 B15R1.809 CN(Cc1ccccc1)C[C@H](O)CC#N 4be904eaa3501341a8db8db71df50f40 [0,1,0,0,0,0|2,0,0]=3 901 B15R1.809 CN(Cc1ccccn1)CC(O)CC#N 308604b38bf60fef39c261b21e88bccb [0,1,0,0,0,0|3,0,0]=4 902 B15R1.809 CN(Cc1ccccn1)C[C@@H](O)CC#N 1ade0d8620e3c1bf68bb653811ab4b33 [0,1,0,0,0,0|3,0,0]=4 903 B15R1.809 CN(Cc1ccccn1)C[C@H](O)CC#N 9c03ed831e9b091e8a6f7122ef27f9dd [0,1,0,0,0,0|3,0,0]=4 904 B15R1.809 CN(Cc1cccnc1)CC(O)CC#N c8ce94b5c193b58b776299c9543c4982 [0,1,0,0,0,0|3,0,0]=4 905 B15R1.809 CN(Cc1cccnc1)C[C@@H](O)CC#N 695351574c6b8f461a0f736dace0a47f [0,1,0,0,0,0|3,0,0]=4 906 B15R1.809 CN(Cc1cccnc1)C[C@H](O)CC#N 5d71d4abb963c9c2da851a717c25fad0 [0,1,0,0,0,0|3,0,0]=4 907 B15R1.809 CN(Cc1ccncc1)CC(O)CC#N a2c95dd820a00898c92d64fa5925d65f [0,1,0,0,0,0|3,0,0]=4 908 B15R1.809 CN(Cc1ccncc1)C[C@@H](O)CC#N b889fc3ce15a82e8c18aa1abb4993d60 [0,1,0,0,0,0|3,0,0]=4 909 B15R1.809 CN(Cc1ccncc1)C[C@H](O)CC#N 497b4be27297d831f61643da843b77c9 [0,1,0,0,0,0|3,0,0]=4 910 B15R1.809 COCC(C)NC(C)Cc1ccccn1 5d07a1ee58518790b6f51265a40e553b [0,1,0,0,0,0|3,0,0]=4 911 B15R1.809 COCC(C)NC(C)Cc1cccnc1 8201a3ab25434d69c2c5bf80d46fbff4 [0,1,0,0,0,0|3,0,0]=4 912 B15R1.809 COCC(C)NC(C)Cc1ccncc1 f03c3bdc51c7ff51df1063617e1911a0 [0,1,0,0,0,0|3,0,0]=4 913 B15R1.809 COCC(C)OC(C)Cc1ccccc1 17b3b8e6a28cd1c2f4e0f0c1ff85dd7f [0,1,0,0,0,0|3,0,0]=4 914 B15R1.809 COCC(C)O[C@@H](C)Cc1ccccc1 cad5a713f6499a5bc5512dadec22ea7c [0,1,0,0,0,0|3,0,0]=4 915 B15R1.809 COCC(C)O[C@H](C)Cc1ccccc1 32c808197543ae59309408c81b391e81 [0,1,0,0,0,0|3,0,0]=4 916 B15R1.964 C=C(C#N)CNC(C)Cc1ccccn1 b09da45e7112c831724f7ce9ed7eeb0b [0,1,0,0,0,0|1,0,1]=3 917 B15R1.964 C=C(C#N)CNC(C)Cc1cccnc1 118bd779a5ccb5b3eba596df90a13594 [0,1,0,0,0,0|1,0,1]=3 918 B15R1.964 C=C(C#N)CNC(C)Cc1ccncc1 82d6b5089a3a0689420addedab6cbbbb [0,1,0,0,0,0|1,0,1]=3 919 B15R1.964 C=C(C#N)CNC(C)Cc1cnccn1 22373a96fd95d1c289a83006a8fe3c7f [0,1,0,0,0,0|2,0,1]=4 920 B15R1.964 C=C(C#N)COC(C)Cc1ccccc1 cf68807d63c5c6d3b218d806d3704398 [0,1,0,0,0,0|1,0,1]=3 921 B15R1.964 C=C(C#N)COC(C)Cc1ccccn1 0a2bac06738568879b762877319c5ee1 [0,1,0,0,0,0|2,0,1]=4 922 B15R1.964 C=C(C#N)CO[C@@H](C)Cc1ccccc1 eeada82c468b257f30d2955d1db5d791 [0,1,0,0,0,0|1,0,1]=3 923 B15R1.964 C=C(C#N)CO[C@H](C)Cc1ccccc1 e35cdd2b91acbd5d4359ec82d0769dc3 [0,1,0,0,0,0|1,0,1]=3 924 B15R1.964 C=CC(C)COC(C)Cc1ccccc1 ab9c3d447a2ad52c85550dc5afdf9948 [0,1,0,0,0,0|2,0,1]=4 925 B15R1.964 C=CC(O)CNC(C)Cc1ccccc1 18b7a5e341dbf8647e5df26e97dfb28b [0,1,0,0,0,0|1,0,1]=3 926 B15R1.964 CC(C#N)CNC(=O)Cc1ccccn1 969b4d7e9e72bb9c9dc5dd07f569d167 [0,1,0,0,0,0|2,0,1]=4 927 B15R1.964 CC(C#N)CNC(=O)Cc1cccnc1 b2256b12fe1f66c765ff31f3cd1f9f35 [0,1,0,0,0,0|2,0,1]=4 928 B15R1.964 CC(C#N)CNC(=O)Cc1ccncc1 d63ed96c79ee8da0c9440636f7a65eed [0,1,0,0,0,0|2,0,1]=4 929 B15R1.964 CC(C#N)CNC(=O)Nc1ccccc1 ffdfdfe381e848cae2ee43e71fdd8aac [0,1,0,0,0,0|2,0,1]=4 930 B15R1.964 CC(C#N)CNC(=S)Nc1ccccc1 9075809d34893da45d8215a87b3dd8f9 [0,1,0,0,0,0|2,0,1]=4 931 B15R1.964 CC(C#N)CNC(C)Cc1ccccn1 2293101ff44415db0543b6d4387b8fdd [0,1,0,0,0,0|1,0,0]=2 932 B15R1.964 CC(C#N)CNC(C)Cc1cccnc1 2d4c508c7b30e59485523e7fd4305fb5 [0,1,0,0,0,0|1,0,0]=2 933 B15R1.964 CC(C#N)CNC(C)Cc1ccncc1 f2418941445820ce01a462c17009ce40 [0,1,0,0,0,0|1,0,0]=2 934 B15R1.964 CC(C#N)CNC(C)Cc1cnccn1 3d00cc9b0339899fc2e9aab14d3becbe [0,1,0,0,0,0|2,0,0]=3 935 B15R1.964 CC(C#N)COC(C)Cc1ccccn1 457676c3168d6b1e2339ae824b3ae56f [0,1,0,0,0,0|2,0,0]=3 936 B15R1.964 CC(C#N)COC(C)Cc1cnccn1 5fdd836b81ae024d5a7965971733f77d [0,1,0,0,0,0|3,0,0]=4 937 B15R1.964 CC(C#N)NCC(O)Cc1ccccc1 fd9ee1ad443957e6d83442c95593cbce [0,1,0,0,0,0|3,0,0]=4 938 B15R1.964 CC(C#N)NC[C@@H](O)Cc1ccccc1 5307650ce81b16151abe0204bf983926 [0,1,0,0,0,0|3,0,0]=4 939 B15R1.964 CC(CO)CNC(C)Cc1ccccn1 65bc82bc1945404bf2d286e9a58079a2 [0,1,0,0,0,0|2,0,1]=4 940 B15R1.964 CC(CO)CNC(C)Cc1cccnc1 608eac9dd9b9eb03d5320967c9a2f138 [0,1,0,0,0,0|2,0,1]=4 941 B15R1.964 CC(CO)CNC(C)Cc1ccncc1 ee479fa40cbcdb833cbcbe56ba6def78 [0,1,0,0,0,0|2,0,1]=4 942 B15R1.964 CC(Cc1ccccc1)NCC(F)CO d183fb50a018b4fa691a41aaff3aede1 [0,1,0,0,0,0|1,0,1]=3 943 B15R1.964 CC(Cc1ccccc1)NC[C@@H](F)CO 96b7851a8218fbcad5b4868736468799 [0,1,0,0,0,0|1,0,1]=3 944 B15R1.964 CC(Cc1ccccc1)NC[C@H](F)CO 5afe5917ec4c80a17a16bb49ce467e7e [0,1,0,0,0,0|1,0,1]=3 945 B15R1.964 CC(Cc1ccccc1)OCC(O)CO e80e872350586d1eeba09877ef61355f [0,1,0,0,0,0|2,0,1]=4 946 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CO f5a0e5859258da7070a8daef2f169ceb [0,1,0,0,0,0|2,0,1]=4 947 B15R1.964 CC(Cc1ccccc1)OC[C@H](O)CO b84945ea62bb12a1cce0bb01a6931637 [0,1,0,0,0,0|2,0,1]=4 948 B15R1.964 CC(Cc1ccccn1)NCC(O)CF 3731ec42e6091d1169a533c5ebcb2e27 [0,1,0,0,0,0|2,0,1]=4 949 B15R1.964 CC(Cc1ccccn1)NCC(O)CO 89f281ee2d86f244c943dfa50ea61bbd [0,1,0,0,0,0|2,0,1]=4 950 B15R1.964 CC(Cc1ccccn1)NC[C@@H](C)CO 11b1491f9367cd170af7127a88ed64e9 [0,1,0,0,0,0|2,0,1]=4 951 B15R1.964 CC(Cc1ccccn1)NC[C@@H](O)CO 1511e68c0152f6b7a734a45a77a3191b [0,1,0,0,0,0|2,0,1]=4 952 B15R1.964 CC(Cc1ccccn1)NC[C@H](C)CO 0a6983f92732240c96f7fcec1ac97091 [0,1,0,0,0,0|2,0,1]=4 953 B15R1.964 CC(Cc1ccccn1)NC[C@H](O)CO 47fb8efdb2876dfcc54ee4f50057dca2 [0,1,0,0,0,0|2,0,1]=4 954 B15R1.964 CC(Cc1cccnc1)NCC(O)CF 8cb5148c85bcafb9c3ed9b51d7e8e0a4 [0,1,0,0,0,0|2,0,1]=4 955 B15R1.964 CC(Cc1cccnc1)NCC(O)CO f9ea3cbef11e942767bcd6adcbd6eef3 [0,1,0,0,0,0|2,0,1]=4 956 B15R1.964 CC(Cc1cccnc1)NC[C@@H](C)CO e8ba91880af602fbabca56d6b068d312 [0,1,0,0,0,0|2,0,1]=4 957 B15R1.964 CC(Cc1cccnc1)NC[C@@H](O)CO e0931114c9659f8123cc5a23c28fd435 [0,1,0,0,0,0|2,0,1]=4 958 B15R1.964 CC(Cc1cccnc1)NC[C@H](C)CO 0abc0d577f57465839acbbb1da88ddcf [0,1,0,0,0,0|2,0,1]=4 959 B15R1.964 CC(Cc1cccnc1)NC[C@H](O)CO 30ba09de0f2a2e7ce11f95544c1970c2 [0,1,0,0,0,0|2,0,1]=4 960 B15R1.964 CC(Cc1ccncc1)NCC(O)CF 6568ec9acad3e83fe6d51232bf509327 [0,1,0,0,0,0|2,0,1]=4 961 B15R1.964 CC(Cc1ccncc1)NCC(O)CO 90f1f8c9e8f3d4148e77a6da4e179d36 [0,1,0,0,0,0|2,0,1]=4 962 B15R1.964 CC(Cc1ccncc1)NC[C@@H](C)CO eeca182be96d7f31c8a61996525714ca [0,1,0,0,0,0|2,0,1]=4 963 B15R1.964 CC(Cc1ccncc1)NC[C@@H](O)CO 72c83babe2b994cc4eeba0d704ac5254 [0,1,0,0,0,0|2,0,1]=4 964 B15R1.964 CC(Cc1ccncc1)NC[C@H](C)CO aff8bdadbc4f73774116bdd9a60e34d0 [0,1,0,0,0,0|2,0,1]=4 965 B15R1.964 CC(Cc1ccncc1)NC[C@H](O)CO bad2dcb63f40577a4bf7cb145ce3ac94 [0,1,0,0,0,0|2,0,1]=4 966 B15R1.964 CCC(C)CNC(C)Cc1ccccn1 9ed4e0345616db724a4521f79e67c226 [0,1,0,0,0,0|2,0,1]=4 967 B15R1.964 CCC(C)CNC(C)Cc1cccnc1 c51ad406ce0b77bd15de456d03edd2e5 [0,1,0,0,0,0|2,0,1]=4 968 B15R1.964 CCC(C)CNC(C)Cc1ccncc1 73e83c2c9d7c238cf8cefb40e1b48a50 [0,1,0,0,0,0|2,0,1]=4 969 B15R1.964 CCC(C)COC(C)Cc1ccccc1 73552bd1cbd4a81f5913454eadd929b6 [0,1,0,0,0,0|2,0,1]=4 970 B15R1.964 CCC(C)CO[C@@H](C)Cc1ccccc1 77156d9e2aeea2b614dbdcb737abe07d [0,1,0,0,0,0|2,0,1]=4 971 B15R1.964 CCC(C)CO[C@H](C)Cc1ccccc1 cd05728b8d8ebb9a06d041f19ea875dd [0,1,0,0,0,0|2,0,1]=4 972 B15R1.964 CCC(O)CNC(C)Cc1ccccn1 f376124a39d4c4b0ddb6eeeae205fe5e [0,1,0,0,0,0|2,0,1]=4 973 B15R1.964 CCC(O)CNC(C)Cc1cccnc1 27e54e22e486b240b5a4c58f93febe8b [0,1,0,0,0,0|2,0,1]=4 974 B15R1.964 CCC(O)CNC(C)Cc1ccncc1 0b8050556361bbe7ec2d56403d8eb6ed [0,1,0,0,0,0|2,0,1]=4 975 B15R1.964 CC[C@@H](C)CNC(C)Cc1ccccn1 8c69433bc0e7428cb658abe6c2a42d74 [0,1,0,0,0,0|2,0,1]=4 976 B15R1.964 CC[C@@H](C)CNC(C)Cc1cccnc1 6069d47a7566593cdb973efb934455e6 [0,1,0,0,0,0|2,0,1]=4 977 B15R1.964 CC[C@@H](C)CNC(C)Cc1ccncc1 d8b3aac99be3e88cf85fe48af2b48f97 [0,1,0,0,0,0|2,0,1]=4 978 B15R1.964 CC[C@@H](C)COC(C)Cc1ccccc1 6fc8a7a1c580a4f6cbc65bbb362bdd08 [0,1,0,0,0,0|2,0,1]=4 979 B15R1.964 CC[C@@H](C)CO[C@@H](C)Cc1ccccc1 30eda8f88f3f863b8c9ac3c682adea67 [0,1,0,0,0,0|2,0,1]=4 980 B15R1.964 CC[C@@H](C)CO[C@H](C)Cc1ccccc1 6779c140dc915b3214c0498bbbdae5d2 [0,1,0,0,0,0|2,0,1]=4 981 B15R1.964 CC[C@H](C)CNC(C)Cc1ccccn1 85077d93d41192a738a407d71a7fab31 [0,1,0,0,0,0|2,0,1]=4 982 B15R1.964 CC[C@H](C)CNC(C)Cc1cccnc1 0285607766dc3397567ca2ca93fd4bb8 [0,1,0,0,0,0|2,0,1]=4 983 B15R1.964 CC[C@H](C)CNC(C)Cc1ccncc1 a82ce7aed4b4cbb010ca3f1bcf62eb6e [0,1,0,0,0,0|2,0,1]=4 984 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 5b517d342ddea6b82bdc13d720f106f2 [0,1,0,0,0,0|2,0,1]=4 985 B15R1.964 CC[C@H](C)CO[C@@H](C)Cc1ccccc1 53383f11595141e5f523cd73c3b0722a [0,1,0,0,0,0|2,0,1]=4 986 B15R1.964 CC[C@H](C)CO[C@H](C)Cc1ccccc1 a80c5df39514d801ce3d93888e6b4f62 [0,1,0,0,0,0|2,0,1]=4 987 B15R1.964 COC(C)CNC(C)Cc1ccccn1 e8408f25f418ce35aff6ddc52e9fd55b [0,1,0,0,0,0|3,0,0]=4 988 B15R1.964 COC(C)CNC(C)Cc1cccnc1 c4e6d33aae5f237bf469c5aced20b9fe [0,1,0,0,0,0|3,0,0]=4 989 B15R1.964 COC(C)CNC(C)Cc1ccncc1 024e5f32d639ca6223513461f9511d8f [0,1,0,0,0,0|3,0,0]=4 990 B15R1.964 COC(C)COC(C)Cc1ccccc1 b269a912635fe02d4a56590c9c1a77f1 [0,1,0,0,0,0|3,0,0]=4 991 B15R1.964 COC(C)CO[C@@H](C)Cc1ccccc1 42d209555c9fd6fdee275387ee25f27c [0,1,0,0,0,0|3,0,0]=4 992 B15R1.964 COC(C)CO[C@H](C)Cc1ccccc1 4caca66c4f9a8ed78f06c6a02ff06984 [0,1,0,0,0,0|3,0,0]=4 993 B15R1.964 CO[C@@H](C)CNC(C)Cc1ccccn1 47efb1d1e2e39f034fb2e29667409c1e [0,1,0,0,0,0|3,0,0]=4 994 B15R1.964 CO[C@@H](C)CNC(C)Cc1cccnc1 c1177dcf17c079ef52b8c348e9d8d804 [0,1,0,0,0,0|3,0,0]=4 995 B15R1.964 CO[C@@H](C)CNC(C)Cc1ccncc1 6031289de897ec1101dbdfa6442b4538 [0,1,0,0,0,0|3,0,0]=4 996 B15R1.964 CO[C@@H](C)COC(C)Cc1ccccc1 2871a0723cbc8068a95bc7384bc9a8cc [0,1,0,0,0,0|3,0,0]=4 997 B15R1.964 CO[C@@H](C)CO[C@@H](C)Cc1ccccc1 905d61b60ceddc2a535c95caa371d081 [0,1,0,0,0,0|3,0,0]=4 998 B15R1.964 CO[C@@H](C)CO[C@H](C)Cc1ccccc1 df9eda5de632f8e0b64a1c9c608745a6 [0,1,0,0,0,0|3,0,0]=4 999 B15R1.964 CO[C@H](C)CNC(C)Cc1ccccn1 7f0257e59f634a2d2565a73319aa176b [0,1,0,0,0,0|3,0,0]=4 1000 B15R1.964 CO[C@H](C)CNC(C)Cc1cccnc1 d5c092a0277aeaba96d6af8d929567d7 [0,1,0,0,0,0|3,0,0]=4 1001 B15R1.964 CO[C@H](C)CNC(C)Cc1ccncc1 a811dc654e5794c5badf7a483d7c36be [0,1,0,0,0,0|3,0,0]=4 1002 B15R1.964 CO[C@H](C)COC(C)Cc1ccccc1 d1ed16bdc4b370a6959b97fe5a5b7f70 [0,1,0,0,0,0|3,0,0]=4 1003 B15R1.964 CO[C@H](C)CO[C@@H](C)Cc1ccccc1 f89042a8e4d7eaa760e5d5422cfd3aa0 [0,1,0,0,0,0|3,0,0]=4 1004 B15R1.964 CO[C@H](C)CO[C@H](C)Cc1ccccc1 2a9cd17338cce0cdc3296fd8a51d9203 [0,1,0,0,0,0|3,0,0]=4 1005 B15R1.964 C[C@@H](Cc1ccccc1)OCC(O)CO e9995828610249dda570911eff24909a [0,1,0,0,0,0|2,0,1]=4 1006 B15R1.964 C[C@@H](Cc1ccccc1)OC[C@@H](O)CO 7193b070f86e03bdb4b3bf85dcaf3c1e [0,1,0,0,0,0|2,0,1]=4 1007 B15R1.964 C[C@@H](Cc1ccccc1)OC[C@H](O)CO a638b518ecc6c68945d73fa64de5f57c [0,1,0,0,0,0|2,0,1]=4 1008 B15R1.964 C[C@H](Cc1ccccc1)OCC(O)CO a868eacdca88e50e7c9a6235e6084381 [0,1,0,0,0,0|2,0,1]=4 1009 B15R1.964 C[C@H](Cc1ccccc1)OC[C@@H](O)CO bb6b1b9b277a17b0730671a58596e97e [0,1,0,0,0,0|2,0,1]=4 1010 B15R1.964 C[C@H](Cc1ccccc1)OC[C@H](O)CO a28698f66b592fa2d2bf99f62355e60d [0,1,0,0,0,0|2,0,1]=4 1011 B15R1.1035 C#CC(Cc1ccccc1)OCCC#N d1267909482a9680f922a334cec74e90 [0,1,0,0,0,0|1,0,1]=3 1012 B15R1.1035 C#CC(Cc1ccccc1)OCSC#N 81fc5d6199ac95770c80935eef8d0092 [0,1,0,0,0,0|2,0,1]=4 1013 B15R1.1035 C#CCCNC(C#N)Cc1ccccc1 4fb54d6a8e7d15798c43bbaf248c4b8a [0,1,0,0,0,0|1,0,1]=3 1014 B15R1.1035 C#CCCNC(C=O)Cc1ccccc1 5ec5f9bb97560c719be41f8b0b030a44 [0,1,0,0,0,0|1,0,1]=3 1015 B15R1.1035 C#CCCNC(CC)Cc1ccccc1 a58de06cea3f79ae0bc311565ce91eb3 [0,1,0,0,0,0|1,0,0]=2 1016 B15R1.1035 C#CCCNC(CO)Cc1ccccc1 56291d05578c19437121624784f8b8f5 [0,1,0,0,0,0|1,0,0]=2 1017 B15R1.1035 C#CCCN[C@@H](CO)Cc1ccccc1 aa71d200061b8a4efcf158c276f79108 [0,1,0,0,0,0|1,0,0]=2 1018 B15R1.1035 C#CCCN[C@H](CO)Cc1ccccc1 024ad797231984e644a680ec31de392e [0,1,0,0,0,0|1,0,0]=2 1019 B15R1.1035 C#CCCOC(C#C)Cc1ccccc1 80714bf49c37008801a0b0abe49434d2 [0,1,0,0,0,0|2,0,1]=4 1020 B15R1.1035 C#CCCOC(CC)Cc1ccccc1 67534f94fb0ef5ec49d91848efbf0b91 [0,1,0,0,0,0|2,0,0]=3 1021 B15R1.1035 C#CCCOC(CC)Cc1ccccn1 a8f4714356340e6eac84c82e23a9ef70 [0,1,0,0,0,0|3,0,0]=4 1022 B15R1.1035 C#CCNCC(CO)Cc1ccccc1 b89f83e9a0c80a2331151daafc48011e [0,1,0,0,0,0|3,0,0]=4 1023 B15R1.1035 C/C=C/CNC(CC)Cc1ccccc1 7bbd97c83cda1d075448513073274348 [0,1,0,0,0,0|1,0,2]=4 1024 B15R1.1035 C/C=C/CNC(CO)Cc1ccccc1 d17058c92e988878c0f1b0b8d298481b [0,1,0,0,0,0|1,0,2]=4 1025 B15R1.1035 C/C=C/CN[C@@H](CO)Cc1ccccc1 a40153644a0756f4c7091b9779a5d1b3 [0,1,0,0,0,0|1,0,2]=4 1026 B15R1.1035 C/C=C/CN[C@H](CO)Cc1ccccc1 530f613931fd1d04d2541041dbabfc3c [0,1,0,0,0,0|1,0,2]=4 1027 B15R1.1035 C/C=C\CNC(CC)Cc1ccccc1 9fbcaee7f9815d4c994a7a370f5f6064 [0,1,0,0,0,0|1,0,2]=4 1028 B15R1.1035 C/C=C\CNC(CO)Cc1ccccc1 90f78738fd29135308a14d399aea88c8 [0,1,0,0,0,0|1,0,2]=4 1029 B15R1.1035 C/C=C\CN[C@@H](CO)Cc1ccccc1 d5fbf567cd5101e8758186b0431c2481 [0,1,0,0,0,0|1,0,2]=4 1030 B15R1.1035 C/C=C\CN[C@H](CO)Cc1ccccc1 083ceec5550f00062937088a8eeedc95 [0,1,0,0,0,0|1,0,2]=4 1031 B15R1.1035 C=CCCNC(C#N)Cc1ccccc1 e16bfa24c75f1ebbcf0460d0562aacc7 [0,1,0,0,0,0|1,0,2]=4 1032 B15R1.1035 C=CCCNC(C=O)Cc1ccccc1 ff83b63faf10d3230f9003a54bc5bc57 [0,1,0,0,0,0|1,0,2]=4 1033 B15R1.1035 C=CCCNC(CC)Cc1ccccc1 986b9055ad9d77f50b4c91d85c69ef05 [0,1,0,0,0,0|1,0,1]=3 1034 B15R1.1035 C=CCCNC(CO)Cc1ccccc1 7b1a773cc8243fb17c4dab1a33488a69 [0,1,0,0,0,0|1,0,1]=3 1035 B15R1.1035 C=CCCN[C@@H](CO)Cc1ccccc1 875f87f9eedf7a23428c5ec203b2b896 [0,1,0,0,0,0|1,0,1]=3 1036 B15R1.1035 C=CCCN[C@H](CO)Cc1ccccc1 6bfab7a8189685c61073034951624f5e [0,1,0,0,0,0|1,0,1]=3 1037 B15R1.1035 C=CCCOC(CC)Cc1ccccc1 81646f0302f375748bfc29ea81091398 [0,1,0,0,0,0|2,0,1]=4 1038 B15R1.1035 CC#CCNC(C=O)Cc1ccccc1 d3c6e3cf15d2e3ea5f84c0fe60c86f2c [0,1,0,0,0,0|1,0,2]=4 1039 B15R1.1035 CC=CCN[C@H](CO)Cc1ccccc1 0ca7ef7f11f48bfd69995da65808fc7b [0,1,0,0,0,0|1,0,2]=4 1040 B15R1.1035 CCC(Cc1ccccc1)NC/C=C/Cl 67d809927f7617f0d5a8155b7719abee [0,1,0,0,0,0|1,0,2]=4 1041 B15R1.1035 CCC(Cc1ccccc1)NC/C=C\Cl 1ae2868abded5c7e08c56cfcab82f1f6 [0,1,0,0,0,0|1,0,2]=4 1042 B15R1.1035 CCC(Cc1ccccc1)NC/C=C\O 62c40887973927820f3b60c571ce38d3 [0,1,0,0,0,0|1,0,2]=4 1043 B15R1.1035 CCC(Cc1ccccc1)NCCC#N cc635a0648d63177e7c554c657a3d35f [0,1,0,0,0,0|0,0,0]=1 1044 B15R1.1035 CCC(Cc1ccccc1)NCCC=O c419b326702dc3095380347ea3341dce [0,1,0,0,0,0|1,0,1]=3 1045 B15R1.1035 CCC(Cc1ccccc1)NCCCF 84dddaa32180bbc69e1a847f8dd70e5a [0,1,0,0,0,0|1,0,1]=3 1046 B15R1.1035 CCC(Cc1ccccc1)NCCCO b88d6078bcd386af33986dcef6eb7b71 [0,1,0,0,0,0|1,0,1]=3 1047 B15R1.1035 CCC(Cc1ccccc1)NCCCS 9b8cde1a01888c6c00cecb4d34f672bc [0,1,0,0,0,0|1,0,1]=3 1048 B15R1.1035 CCC(Cc1ccccc1)NCCOC fbfc9592ea02b6cb04c7c785add65f7b [0,1,0,0,0,0|2,0,0]=3 1049 B15R1.1035 CCC(Cc1ccccc1)NCCSC 3711533432dc5e95f0d1af8fa9dcf83b [0,1,0,0,0,0|2,0,0]=3 1050 B15R1.1035 CCC(Cc1ccccc1)OCCC#N c4f2d518d98aebd981499f48f4ad05cd [0,1,0,0,0,0|1,0,0]=2 1051 B15R1.1035 CCC(Cc1ccccc1)OCCC=O 9b5530c10495335ab22fc40d40248a7f [0,1,0,0,0,0|2,0,1]=4 1052 B15R1.1035 CCC(Cc1ccccc1)OCCCF 076ebb9ce8f79670434b2d8ffd913e2f [0,1,0,0,0,0|2,0,1]=4 1053 B15R1.1035 CCC(Cc1ccccc1)OCCOC cfd009cf18600d4611c0c5f58c448fc6 [0,1,0,0,0,0|3,0,0]=4 1054 B15R1.1035 CCC(Cc1ccccc1)OCCSC 697c12e7506851ee645cc6801bfb41f7 [0,1,0,0,0,0|3,0,0]=4 1055 B15R1.1035 CCC(Cc1ccccc1)OCSC#N 43ad2abbbc596def1fe1db4961e6e6fd [0,1,0,0,0,0|2,0,0]=3 1056 B15R1.1035 CCC(Cc1ccccn1)OCCC#N 70601b7b48ebd01228070858881e7972 [0,1,0,0,0,0|2,0,0]=3 1057 B15R1.1035 CCC(Cc1ccccn1)OCSC#N 161a377ad49ace7a5a1e724650439a0e [0,1,0,0,0,0|3,0,0]=4 1058 B15R1.1035 CCCCNC(C#N)Cc1ccccc1 7f808081c95ff36d25c41ec24345502f [0,1,0,0,0,0|1,0,2]=4 1059 B15R1.1035 CCCCNC(C=O)Cc1ccccc1 ec8ed2be3668966ca257a6823c5318c6 [0,1,0,0,0,0|1,0,2]=4 1060 B15R1.1035 CCCCNC(CC)Cc1ccccc1 8a10862b13750a6673a20006c6926e20 [0,1,0,0,0,0|1,0,1]=3 1061 B15R1.1035 CCCCNC(CO)Cc1ccccc1 5e432612d028e6684d47f3fca69acc9c [0,1,0,0,0,0|1,0,1]=3 1062 B15R1.1035 CCCCN[C@@H](CO)Cc1ccccc1 11439d77d26779be7de21c0d4b965788 [0,1,0,0,0,0|1,0,1]=3 1063 B15R1.1035 CCCCN[C@H](CO)Cc1ccccc1 d09fd08098c54e5718fef364e0ad9382 [0,1,0,0,0,0|1,0,1]=3 1064 B15R1.1035 CCCCOC(CC)Cc1ccccc1 de61ceda8a716878da96b78e8f2dbbcf [0,1,0,0,0,0|2,0,1]=4 1065 B15R1.1035 CCN(CCCC#N)Cc1ccccc1 a6458a30317fe222261299cdd8e2f657 [0,1,0,0,0,0|2,0,0]=3 1066 B15R1.1035 CCN(CCCC#N)Cc1ccccn1 f23a02716c6be62f4564f66134023660 [0,1,0,0,0,0|3,0,0]=4 1067 B15R1.1035 CCN(CCCC#N)Cc1cccnc1 397c866eaa402ef6182f3cf0c7a3be07 [0,1,0,0,0,0|3,0,0]=4 1068 B15R1.1035 CCN(CCCC#N)Cc1ccncc1 824ac03bc39aa5620894f24110d4542b [0,1,0,0,0,0|3,0,0]=4 1069 B15R1.1035 CCOCNC(CC)Cc1ccccc1 59573d989c4e63d497015d4c02e04e35 [0,1,0,0,0,0|2,0,1]=4 1070 B15R1.1035 CCOCNC(CO)Cc1ccccc1 db0e304e3dd097df7443b452c03daecc [0,1,0,0,0,0|2,0,1]=4 1071 B15R1.1035 CCOCN[C@@H](CO)Cc1ccccc1 ced9b5d354bce0b31e2e28e7116a4c8b [0,1,0,0,0,0|2,0,1]=4 1072 B15R1.1035 CCOCN[C@H](CO)Cc1ccccc1 460016b7e2893f2fe36743843fb47e7a [0,1,0,0,0,0|2,0,1]=4 1073 B15R1.1035 COCCNC(C#N)Cc1ccccc1 d44000fdcc02be439c51528c70f3ed2a [0,1,0,0,0,0|2,0,1]=4 1074 B15R1.1035 COCCNC(C=O)Cc1ccccc1 dd356717ec87582c03c69f29dda36adc [0,1,0,0,0,0|2,0,1]=4 1075 B15R1.1035 COCCNC(CO)Cc1ccccc1 b2a8a598d173a1d0696a08bb60af2371 [0,1,0,0,0,0|2,0,0]=3 1076 B15R1.1035 COCCN[C@@H](CO)Cc1ccccc1 2916e4b06cde3e42037845dd2a4e1332 [0,1,0,0,0,0|2,0,0]=3 1077 B15R1.1035 COCCN[C@H](CO)Cc1ccccc1 b70f5790a114dec3fc1ee088a8400bad [0,1,0,0,0,0|2,0,0]=3 1078 B15R1.1035 CSCCNC(C#N)Cc1ccccc1 3f2458bc2c6c66b2c4cdd0b0a95117e2 [0,1,0,0,0,0|2,0,1]=4 1079 B15R1.1035 CSCCNC(C=O)Cc1ccccc1 7a76990cbc5bf205b236e59061267723 [0,1,0,0,0,0|2,0,1]=4 1080 B15R1.1035 CSCCNC(CO)Cc1ccccc1 edd81747c07064ed095af44d84c760bb [0,1,0,0,0,0|2,0,0]=3 1081 B15R1.1035 CSCCN[C@@H](CO)Cc1ccccc1 3efc5648dd98258781bac172700bac72 [0,1,0,0,0,0|2,0,0]=3 1082 B15R1.1035 CSCCN[C@H](CO)Cc1ccccc1 e0e2ca7a76b158ae7f7c1c1c0b0157cb [0,1,0,0,0,0|2,0,0]=3 1083 B15R1.1035 N#CC(Cc1ccccc1)NCCC=O 328a3f9bb8b99a1816773aa8848d79e0 [0,1,0,0,0,0|1,0,2]=4 1084 B15R1.1035 N#CC(Cc1ccccc1)NCCCCl f456e4d30e1bc938d3b95dcf872a74d7 [0,1,0,0,0,0|1,0,2]=4 1085 B15R1.1035 N#CC(Cc1ccccc1)NCCCF 95d893171cc6dcf83ed600eb207ef10a [0,1,0,0,0,0|1,0,2]=4 1086 B15R1.1035 N#CC(Cc1ccccc1)NCCCO 3eb741cee0fe07554bb11341c91c62b5 [0,1,0,0,0,0|1,0,2]=4 1087 B15R1.1035 N#CC(Cc1ccccc1)NCCCS adc5f219c4df3b6c20f769133f2b53ef [0,1,0,0,0,0|1,0,2]=4 1088 B15R1.1035 N#CC(Cc1ccccc1)NCCON b03e3d18ac3c4dfa016509f078809b6f [0,1,0,0,0,0|1,0,2]=4 1089 B15R1.1035 N#CCCNC(C#N)Cc1ccccc1 44b102ba7fce12320709a5775d56c865 [0,1,0,0,0,0|0,0,1]=2 1090 B15R1.1035 N#CCCNC(C=O)Cc1ccccc1 b29f6b2aa9837829c8189660609e1332 [0,1,0,0,0,0|0,0,1]=2 1091 B15R1.1035 N#CCCNC(CO)Cc1ccccc1 714491bae463231fd96f4d92c241ce81 [0,1,0,0,0,0|0,0,0]=1 1092 B15R1.1035 N#CCCN[C@@H](CO)Cc1ccccc1 78f3e2b1e9b645abad77092ab2cac556 [0,1,0,0,0,0|0,0,0]=1 1093 B15R1.1035 N#CCCN[C@H](CO)Cc1ccccc1 81315801bb6046de3e5070e2a1944602 [0,1,0,0,0,0|0,0,0]=1 1094 B15R1.1035 N#CCNCC(C#N)Cc1ccccc1 cf6de67040cdec3600f63451412798ca [0,1,0,0,0,0|2,0,1]=4 1095 B15R1.1035 N#CCNCC(CO)Cc1ccccc1 20e900a78797e3d778ad856e440387ac [0,1,0,0,0,0|2,0,0]=3 1096 B15R1.1035 N#CCOCC(C#N)Cc1ccccc1 0c35362063e4eac6cdaefca0923fe561 [0,1,0,0,0,0|2,0,1]=4 1097 B15R1.1035 NOCCNC(C=O)Cc1ccccc1 a61ee0af636121e4c904641f6829714f [0,1,0,0,0,0|1,0,2]=4 1098 B15R1.1035 O/C=C\CNC(CO)Cc1ccccc1 63c1487ece6eb246ccc6d588e180867c [0,1,0,0,0,0|1,0,2]=4 1099 B15R1.1035 O/C=C\CN[C@@H](CO)Cc1ccccc1 3fdda4dbddb4f6106b9eeec3d2e59137 [0,1,0,0,0,0|1,0,2]=4 1100 B15R1.1035 O/C=C\CN[C@H](CO)Cc1ccccc1 f613b2b591e88c5c3af5eda83624bdfd [0,1,0,0,0,0|1,0,2]=4 1101 B15R1.1035 O=CC(Cc1ccccc1)NCCCCl aaf196163f371935399d68c437776e8a [0,1,0,0,0,0|1,0,2]=4 1102 B15R1.1035 O=CC(Cc1ccccc1)NCCCO f5e5a5f31cdc9ac12ae9ec20c3a1eb52 [0,1,0,0,0,0|1,0,2]=4 1103 B15R1.1035 O=CCCNC(CO)Cc1ccccc1 90c4b90026e909837d3d979044ea0965 [0,1,0,0,0,0|1,0,1]=3 1104 B15R1.1035 O=CCCN[C@@H](CO)Cc1ccccc1 d23ceccad3339e2f4942a1971de33231 [0,1,0,0,0,0|1,0,1]=3 1105 B15R1.1035 O=CCCN[C@H](CO)Cc1ccccc1 af3cfb01666f8f68f4d4063a6abfea21 [0,1,0,0,0,0|1,0,1]=3 1106 B15R1.1035 OCC(Cc1ccccc1)NC/C=C/Cl 587e35b5a174a1b68da82b83be295530 [0,1,0,0,0,0|1,0,2]=4 1107 B15R1.1035 OCC(Cc1ccccc1)NC/C=C\Cl 40a67f4ee76a66211fb84c4641e71f0d [0,1,0,0,0,0|1,0,2]=4 1108 B15R1.1035 OCC(Cc1ccccc1)NCCCF 537c8c1be4b41285e333eb162b2eafd1 [0,1,0,0,0,0|1,0,1]=3 1109 B15R1.1035 OCC(Cc1ccccc1)NCCCS bc009c2a83e1c2a24b26a7cf49f1772a [0,1,0,0,0,0|1,0,1]=3 1110 B15R1.1035 OCCCNC(CO)Cc1ccccc1 129207144605eddef8e798eea7719bc1 [0,1,0,0,0,0|1,0,1]=3 1111 B15R1.1035 OCCCN[C@@H](CO)Cc1ccccc1 469d83d9d8e59d21a87919de91993073 [0,1,0,0,0,0|1,0,1]=3 1112 B15R1.1035 OCCCN[C@H](CO)Cc1ccccc1 08976955abbb5678378e8b9f40d9964c [0,1,0,0,0,0|1,0,1]=3 1113 B15R1.1035 OC[C@@H](Cc1ccccc1)NC/C=C/Cl 267611601c902f5d0e790fd78a75abfb [0,1,0,0,0,0|1,0,2]=4 1114 B15R1.1035 OC[C@@H](Cc1ccccc1)NC/C=C\Cl 818ce8497074387552db0d1252026cd6 [0,1,0,0,0,0|1,0,2]=4 1115 B15R1.1035 OC[C@@H](Cc1ccccc1)NCCCF e025c7688605aa50f07fa3f2a306f712 [0,1,0,0,0,0|1,0,1]=3 1116 B15R1.1035 OC[C@@H](Cc1ccccc1)NCCCS d79dcf12917ba5eaa856446d1009baa0 [0,1,0,0,0,0|1,0,1]=3 1117 B15R1.1035 OC[C@H](Cc1ccccc1)NC/C=C/Cl c70ea4e37ec78e3fe5bbc87665359413 [0,1,0,0,0,0|1,0,2]=4 1118 B15R1.1035 OC[C@H](Cc1ccccc1)NC/C=C\Cl eea9b2a16f49bd1e1c462bc96a2a2468 [0,1,0,0,0,0|1,0,2]=4 1119 B15R1.1035 OC[C@H](Cc1ccccc1)NCCCF 2f578a808136de8cfbfe8b9de0f74ea0 [0,1,0,0,0,0|1,0,1]=3 1120 B15R1.1035 OC[C@H](Cc1ccccc1)NCCCS 095ddea2f8cad55dc3a977140b0202af [0,1,0,0,0,0|1,0,1]=3 1121 B15R1.1081 C=C(C)CCNC(C)Cc1ccccn1 a2e1088c8fdb4975326b652cdadcc0b9 [0,1,0,0,0,0|2,0,1]=4 1122 B15R1.1081 C=C(C)CCNC(C)Cc1cccnc1 cadb58693b5253fae7babe2cba84c59d [0,1,0,0,0,0|2,0,1]=4 1123 B15R1.1081 C=C(C)CCNC(C)Cc1ccncc1 2dcd54f59132062c43f1236fcf8a5ca3 [0,1,0,0,0,0|2,0,1]=4 1124 B15R1.1081 CC(=CCNC(C)Cc1ccccc1)C 50bd94004fca3e3ec15bba40d84fb140 [0,1,0,0,0,0|1,0,2]=4 1125 B15R1.1081 CC(=O)CCNC(C)Cc1ccccn1 2a784c8ff13737fdcd3525552aa7a7a8 [0,1,0,0,0,0|2,0,1]=4 1126 B15R1.1081 CC(=O)CCNC(C)Cc1cccnc1 42495539fcd582d44a3d15ef6c32f267 [0,1,0,0,0,0|2,0,1]=4 1127 B15R1.1081 CC(=O)CCNC(C)Cc1ccncc1 db1b01957ae0459e0e6ba041d34cd083 [0,1,0,0,0,0|2,0,1]=4 1128 B15R1.1081 CC(C)CCNC(C)Cc1ccccn1 23f4e1f14565f577c14f5833a20d1b04 [0,1,0,0,0,0|2,0,1]=4 1129 B15R1.1081 CC(C)CCNC(C)Cc1cccnc1 2a106d3fa722a924e7efa3082921c549 [0,1,0,0,0,0|2,0,1]=4 1130 B15R1.1081 CC(C)CCNC(C)Cc1ccncc1 237e2cdb55eb26e5ca0adfe0d6560c6d [0,1,0,0,0,0|2,0,1]=4 1131 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 fd30745ebdafd83fd099451058a7e0c5 [0,1,0,0,0,0|2,0,1]=4 1132 B15R1.1081 CC(C)CCO[C@@H](C)Cc1ccccc1 a73a6b590039d11b56e8139d15712d79 [0,1,0,0,0,0|2,0,1]=4 1133 B15R1.1081 CC(C)CCO[C@H](C)Cc1ccccc1 9a439c0444166e8118974ecafb7465b8 [0,1,0,0,0,0|2,0,1]=4 1134 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 180e7f8faa4d74798006df4e6bb81deb [0,1,0,0,0,0|1,0,2]=4 1135 B15R1.1081 CC(Cc1ccccn1)NCCC(=O)N f1451d5cb4353bc12f24465c1e795337 [0,1,0,0,0,0|1,0,2]=4 1136 B15R1.1081 CC(Cc1ccccn1)NCCC(=O)O d097706b6ba59304de598472556753ac [0,1,0,0,0,0|2,0,1]=4 1137 B15R1.1081 CC(Cc1ccccn1)NCCN(C)C 6781931a52059d01a4054ffbb3eff90c [0,1,0,0,0,0|3,0,0]=4 1138 B15R1.1081 CC(Cc1ccccn1)NCCS(=O)C fd89e9341519cab5c9ebe7a5809dbe82 [0,1,0,0,0,0|3,0,0]=4 1139 B15R1.1081 CC(Cc1cccnc1)NCCC(=O)N 57ed56f938180b41378d159664603782 [0,1,0,0,0,0|1,0,2]=4 1140 B15R1.1081 CC(Cc1cccnc1)NCCC(=O)O 74b7afab828c0355e36615cca20c7e9a [0,1,0,0,0,0|2,0,1]=4 1141 B15R1.1081 CC(Cc1cccnc1)NCCN(C)C 403221b79814a5d542dde124b06b5eee [0,1,0,0,0,0|3,0,0]=4 1142 B15R1.1081 CC(Cc1cccnc1)NCCS(=O)C 48d376f509ac27b2b2d58302def6925c [0,1,0,0,0,0|3,0,0]=4 1143 B15R1.1081 CC(Cc1ccncc1)NCCC(=O)N c3085d3a17b149588a927d07c016dcec [0,1,0,0,0,0|1,0,2]=4 1144 B15R1.1081 CC(Cc1ccncc1)NCCC(=O)O bc8507d320fba12cb1a0ec39a40917e2 [0,1,0,0,0,0|2,0,1]=4 1145 B15R1.1081 CC(Cc1ccncc1)NCCN(C)C 6cd1a86bc3f699c81037af0c1e2697fb [0,1,0,0,0,0|3,0,0]=4 1146 B15R1.1081 CC(Cc1ccncc1)NCCS(=O)C 1dd9d8f8e978ac7fe833b0200f56e843 [0,1,0,0,0,0|3,0,0]=4 1147 B15R1.1081 CC(O)CCNC(C)Cc1ccccn1 0fe74ea051a4010eb2181c1d9aea0861 [0,1,0,0,0,0|2,0,1]=4 1148 B15R1.1081 CC(O)CCNC(C)Cc1cccnc1 52f12ffccd56d51de45e9978336fea77 [0,1,0,0,0,0|2,0,1]=4 1149 B15R1.1081 CC(O)CCNC(C)Cc1ccncc1 827d1654f80383155aca476281579425 [0,1,0,0,0,0|2,0,1]=4 1150 B15R1.1081 C[C@@H](Cc1ccccc1)OCCC(=O)N 43ea8aa0aae2714d98a40a8faf35d035 [0,1,0,0,0,0|1,0,2]=4 1151 B15R1.1081 C[C@H](Cc1ccccc1)OCCC(=O)N f233ca101c015b68152a6fc6d22a871a [0,1,0,0,0,0|1,0,2]=4 1152 B15R1.1409 C#CCCCN(C)Cc1ccccc1Cl 234af6b0c6de9e54fb3748c69be5b2c4 [0,1,0,0,0,0|3,0,0]=4 1153 B15R1.1409 C#CCCCN(C)Cc1ccccc1F 778ef66eaebfa7591b90ca717b2d83d3 [0,1,0,0,0,0|3,0,0]=4 1154 B15R1.1409 C#CCCCN(C)Cc1ccccc1I ae2c42f373cc6b8bf3db64faa464f9fd [0,1,0,0,0,0|3,0,0]=4 1155 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Br f0009fac2feea37e4ffc920e41cb2da3 [0,1,0,0,0,0|2,0,1]=4 1156 B15R1.1409 C#CCCNC(=O)Cc1ccccc1C 2613120a1725e6955d7f425767ed6dda [0,1,0,0,0,0|2,0,1]=4 1157 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Cl 41007dd85b5289f66300a0d293985f10 [0,1,0,0,0,0|2,0,1]=4 1158 B15R1.1409 C#CCCNC(=O)Cc1ccccc1F 1f9db0c6ffbcbc8d00925f76a8f72909 [0,1,0,0,0,0|2,0,1]=4 1159 B15R1.1409 C#CCCNC(=O)Cc1ccccc1I fa2e0dacbe556bbdfb3485870ad9753b [0,1,0,0,0,0|2,0,1]=4 1160 B15R1.1409 C#CCCNC(=O)Cc1ccccc1O 587eb855f3789e9a677727ec62929c2b [0,1,0,0,0,0|2,0,1]=4 1161 B15R1.1409 C#CCCOC(C)Cc1ccccc1Cl 528bd2e60dbad70c00b8a93d714e6be6 [0,1,0,0,0,0|2,0,0]=3 1162 B15R1.1409 C#CCCOC(C)Cc1ncccc1C 8b7cab9356efbe60ea57b7aa446dd95c [0,1,0,0,0,0|3,0,0]=4 1163 B15R1.1409 C#CCOCC(C)Cc1ccccc1C 830f6141af2d5251a56c8d8df0c17383 [0,1,0,0,0,0|3,0,0]=4 1164 B15R1.1409 C#CCOCC(C)Cc1ccccc1F 0d154a7d71f0ea513060bdfe7959e85d [0,1,0,0,0,0|3,0,0]=4 1165 B15R1.1409 C=CCCOC(C)Cc1ccccc1C 4a938d1f88b88afbed6e67fa65c202fd [0,1,0,0,0,0|2,0,1]=4 1166 B15R1.1409 CC(CNCC#N)Oc1ccccc1Cl e5d58773e699c2591909a53795b854fd [0,1,0,0,0,0|3,0,0]=4 1167 B15R1.1409 CC(COCC#N)Cc1ccccc1F 8288897e14a21721ccf152780c9d1d0d [0,1,0,0,0,0|2,0,0]=3 1168 B15R1.1409 CC(Cc1ccccc1Cl)OCCC#N 4e8765e652755230a2c3c58dfc7c6683 [0,1,0,0,0,0|1,0,0]=2 1169 B15R1.1409 CC(Cc1ccccc1Cl)OCCCF b96fc42598b175006ce1b10d51b49c15 [0,1,0,0,0,0|2,0,1]=4 1170 B15R1.1409 CC(Cc1ccccc1Cl)OCCCS 6f89b0e0449e81613eca96607c354b1c [0,1,0,0,0,0|2,0,1]=4 1171 B15R1.1409 CC(Cc1ccccc1Cl)OCSC#N 8551fb12345690df9be3a335149a7d10 [0,1,0,0,0,0|2,0,0]=3 1172 B15R1.1409 CCCCOC(C)Cc1ccccc1C 4727a9166b925a45e4400c61a650fad5 [0,1,0,0,0,0|2,0,1]=4 1173 B15R1.1409 CCCCOC(C)Cc1ccccc1Cl cc1bc370617c30e1e495528e602c2324 [0,1,0,0,0,0|2,0,1]=4 1174 B15R1.1409 CN(CCCC#N)Cc1ccccc1Cl 79cacb23ec9be32fd6ebc8ebd7e25516 [0,1,0,0,0,0|2,0,0]=3 1175 B15R1.1409 CN(CCCC#N)Cc1ccccc1F 24af35d17e24cc36544359b7af3c2c39 [0,1,0,0,0,0|2,0,0]=3 1176 B15R1.1409 CN(CCCC#N)Cc1ccccc1I 866794cc88bfe2a88824a96860d71afb [0,1,0,0,0,0|2,0,0]=3 1177 B15R1.1409 CN(CCCC#N)Cc1cccnc1Cl e94f7b4ec7e515a9cc0ea4a65c0f65b5 [0,1,0,0,0,0|3,0,0]=4 1178 B15R1.1409 CN(CCCC#N)Cc1ncccc1F 60fca52658c5c7a5e63e7e4cfee66e88 [0,1,0,0,0,0|3,0,0]=4 1179 B15R1.1409 COCCOC(C)Cc1ccccc1C 89a079abdf9aed6e4f17164ba7bd37bb [0,1,0,0,0,0|3,0,0]=4 1180 B15R1.1409 COCCOC(C)Cc1ccccc1Cl 14a09a438a013f1370816132fe3e2559 [0,1,0,0,0,0|3,0,0]=4 1181 B15R1.1409 CSCCOC(C)Cc1ccccc1Cl 6f4f19f735610df2fe71329d34737758 [0,1,0,0,0,0|3,0,0]=4 1182 B15R1.1409 Cc1ccccc1CC(=O)NCCC#N 42b7f6edf0a2377482bdb1e400d431bf [0,1,0,0,0,0|1,0,1]=3 1183 B15R1.1409 Cc1ccccc1CC(C)COCC#N d1a609d8db65c543f1271619a74855d5 [0,1,0,0,0,0|2,0,0]=3 1184 B15R1.1409 Cc1ccccc1CC(C)OCCCF bf4c00bf587eeac233d40cdccc2003a3 [0,1,0,0,0,0|2,0,1]=4 1185 B15R1.1409 Cc1ccccc1NC(=S)NCCC#N 5ba2154778147535165f71766e44a038 [0,1,0,0,0,0|2,0,1]=4 1186 B15R1.1409 Cc1cccnc1CC(C)OCCC#N 3e193c849f050b66b69526897dda88e4 [0,1,0,0,0,0|2,0,0]=3 1187 B15R1.1409 Cc1cccnc1CC(C)OCSC#N 6c6c64a11940533e05a25ddc98eeb5a6 [0,1,0,0,0,0|3,0,0]=4 1188 B15R1.1409 Cc1cccnc1CN(C)CCCC#N 139975cc000afcc3790c7b68f96e5aeb [0,1,0,0,0,0|3,0,0]=4 1189 B15R1.1409 Cc1ncccc1CN(C)CCCC#N 5de69942df313448ad984428255e0447 [0,1,0,0,0,0|3,0,0]=4 1190 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Br 47b091f51c3ae4e9ebcd1f029dd15e2d [0,1,0,0,0,0|1,0,1]=3 1191 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Cl 67e33cfbbefd680fbf771839ab7e81ef [0,1,0,0,0,0|1,0,1]=3 1192 B15R1.1409 N#CCCNC(=O)Cc1ccccc1F 47e4778342a47c53fef759bb649145e0 [0,1,0,0,0,0|1,0,1]=3 1193 B15R1.1409 N#CCCNC(=O)Cc1ccccc1I f22e6b97bf023f3e9e0b9e0e77c0bdc7 [0,1,0,0,0,0|1,0,1]=3 1194 B15R1.1409 N#CCCNC(=O)Cc1ccccc1O 21fc983d8c2b8ecede78f428b6f3e78d [0,1,0,0,0,0|1,0,1]=3 1195 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Br c800a10aa89728e431f9b44541a6d115 [0,1,0,0,0,0|2,0,1]=4 1196 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Cl c54649915c1b8d9ad24db1327209dce7 [0,1,0,0,0,0|2,0,1]=4 1197 B15R1.1409 N#CCCNC(=O)Cc1ccncc1Cl 73e3b7b81e30b3ca3ede235942dc604b [0,1,0,0,0,0|2,0,1]=4 1198 B15R1.1409 N#CCCNC(=O)Cc1ncccc1Br 9b4321d1518306e7e2d48827e5e8c25b [0,1,0,0,0,0|2,0,1]=4 1199 B15R1.1409 N#CCCNC(=O)Cc1ncccc1Cl eda1f705f5869e2140c16eece52a5b8a [0,1,0,0,0,0|2,0,1]=4 1200 B15R1.1409 N#CCCNC(=O)Cc1ncccc1F 3c503ac6b10bd697cf4730a682818e6d [0,1,0,0,0,0|2,0,1]=4 1201 B15R1.1409 N#CCCNC(=O)Cc1ncccc1O a58a6faa2f73666dd58b8924ddfda597 [0,1,0,0,0,0|2,0,1]=4 1202 B15R1.1409 N#CCCNC(=O)Cn1ccccc1=O 3f94ea121cf324282d6bc39ba51eb613 [0,1,0,0,0,0|2,0,1]=4 1203 B15R1.1409 N#CCCNC(=S)Nc1ccccc1Cl 587c3c3c5f62bc4769bee253953f6f32 [0,1,0,0,0,0|2,0,1]=4 1204 B15R1.1409 N#CCCNC(=S)Nc1ccccc1F a13211de27655b04e4056560eb93cd8f [0,1,0,0,0,0|2,0,1]=4 1205 B15R1.1409 N#CCCNC(=S)Nc1ccccc1I c8ef705826f6611783c2a22ca5bb23f7 [0,1,0,0,0,0|2,0,1]=4 1206 B15R1.1409 N#CCCNC(=S)Nc1ccccc1N 50d7447cc1defe6bf382134c0384040e [0,1,0,0,0,0|2,0,1]=4 1207 B15R1.1409 N#CCCNC(=S)Nc1ccccc1O c70354a68bea5c3c7a091425101aea61 [0,1,0,0,0,0|2,0,1]=4 1208 B15R1.1409 N#CCNCC(O)Cc1ccccc1F 1569274534ec8d89d971a971cf5b3cfa [0,1,0,0,0,0|3,0,0]=4 1209 B15R2.15 C#CC1CCN(C1)Cc2ccccc2 5864aef111b2d85c5bdddd5ab86966be [0,0,0,1,0,0|3,0,0]=4 1210 B15R2.15 N#CC1CCC(C1)Nc2cccnc2 7a71e53c33b8f8b89a2ab7b0ca27b281 [0,0,0,1,0,0|3,0,0]=4 1211 B15R2.15 N#CC1CCN(C1)Cc2ccccc2 7b40f8500c667568654d6be9955bb73b [0,0,0,1,0,0|2,0,0]=3 1212 B15R2.15 N#CC1CCN(C1)Cc2ccccn2 c4e9f2259583614faeabd17416d43927 [0,0,0,1,0,0|3,0,0]=4 1213 B15R2.15 N#CC1CCN(C1)Cc2cccnc2 f0124e105b8d797f64b706313f320b44 [0,0,0,1,0,0|3,0,0]=4 1214 B15R2.15 N#C[C@@H]1CCN(C1)Cc2ccccc2 e5f4b1dde06974893fe8098680ec0733 [0,0,0,1,0,0|2,0,0]=3 1215 B15R2.15 N#C[C@@H]1CCN(C1)Cc2ccccn2 4e7959c443b32e7d7d00f68cf83be02d [0,0,0,1,0,0|3,0,0]=4 1216 B15R2.15 N#C[C@@H]1CCN(C1)Cc2cccnc2 527e6b86e19ba029100a17d10390445d [0,0,0,1,0,0|3,0,0]=4 1217 B15R2.15 N#C[C@H]1CCN(C1)Cc2ccccc2 a84fd8f9ec693d3a28f9adaf7f098ae2 [0,0,0,1,0,0|2,0,0]=3 1218 B15R2.15 N#C[C@H]1CCN(C1)Cc2ccccn2 e3ab7c864037d82073399dfbe9bc941a [0,0,0,1,0,0|3,0,0]=4 1219 B15R2.15 N#C[C@H]1CCN(C1)Cc2cccnc2 8520c1fa2f4a6e971b812396d8459211 [0,0,0,1,0,0|3,0,0]=4 1220 B15R2.50 C#CCN1CC(C1)Cc2ccccc2 5cef677033be1667a1b4c0b1fcb28164 [0,0,0,1,0,0|3,0,0]=4 1221 B15R2.50 N#CCN1CC(C1)Cc2ccccc2 01b708179cc9fa138e1dd48968649ff6 [0,0,0,1,0,0|2,0,0]=3 1222 B15R2.50 N#CCN1CC(C1)Oc2ccccc2 158d1b19b6d0e46459c329ff97681203 [0,0,0,1,0,0|3,0,0]=4 1223 B15R2.64 CC(Cc1ccccc1)N2CCSC2 7ca3acca0930eb1dd51cc08457f4cdfa [0,0,0,1,0,0|2,0,0]=3 1224 B15R2.78 C#CCCN1C[C@@H]1Cc2ccccc2 9e09042fc76486a0f304d517419b7a7d [0,0,0,1,0,0|1,0,0]=2 1225 B15R2.78 C/C=C/CN1C[C@@H]1Cc2ccccc2 dfcc332d8b14e992c36ba7643ad47c50 [0,0,0,1,0,0|1,0,2]=4 1226 B15R2.78 C/C=C\CN1C[C@@H]1Cc2ccccc2 548b9bd3ef031bf0d02263c4d915711f [0,0,0,1,0,0|1,0,2]=4 1227 B15R2.78 C=CCCN1C[C@@H]1Cc2ccccc2 77fa44133d86d09e682e17c7bb8acbd1 [0,0,0,1,0,0|1,0,1]=3 1228 B15R2.78 CCCCN1C[C@@H]1Cc2ccccc2 c02d45264d426a5a249ba1daa64c8e62 [0,0,0,1,0,0|1,0,1]=3 1229 B15R2.78 COCCN1C[C@@H]1Cc2ccccc2 3b0331b2072e7bdf8202cfd15e596c43 [0,0,0,1,0,0|2,0,0]=3 1230 B15R2.78 CSCCN1C[C@@H]1Cc2ccccc2 ff4b8e8ee19f69dd4f924d6c8089b39e [0,0,0,1,0,0|2,0,0]=3 1231 B15R2.78 Cl/C=C/CN1C[C@@H]1Cc2ccccc2 1cf759cb5614c2cb81ff6ef130a42ee4 [0,0,0,1,0,0|1,0,2]=4 1232 B15R2.78 Cl/C=C\CN1C[C@@H]1Cc2ccccc2 5401325d959e582fb6ef8793beb8c5f7 [0,0,0,1,0,0|1,0,2]=4 1233 B15R2.78 FCCCN1C[C@@H]1Cc2ccccc2 5e78bf9a10c6b0da34a566df6de2ef87 [0,0,0,1,0,0|1,0,1]=3 1234 B15R2.78 N#CCCN1C[C@@H]1Cc2ccccc2 e5470b81c22f7475614b2dc67e763da0 [0,0,0,1,0,0|0,0,0]=1 1235 B15R2.78 O/C=C\CN1C[C@@H]1Cc2ccccc2 e7a84ca10ae216aa01f6cc61a2b3c39d [0,0,0,1,0,0|1,0,2]=4 1236 B15R2.78 O=CCCN1C[C@@H]1Cc2ccccc2 17fea21de052cc003dd5357f8623a42e [0,0,0,1,0,0|1,0,1]=3 1237 B15R2.84 C#CCCN1C(C1c2ccccc2)C 8fe73c85ff24c807cd795a81c1d1e845 [0,0,0,1,0,0|1,0,0]=2 1238 B15R2.84 C#CCCN1[C@@H]([C@@H]1c2ccccc2)C 83b07dae731b27d1947d8b78198b7310 [0,0,0,1,0,0|1,0,0]=2 1239 B15R2.84 C/C=C/CN1C(C1c2ccccc2)C cad4907561b3eeccbd1139c0a7127795 [0,0,0,1,0,0|1,0,2]=4 1240 B15R2.84 C/C=C/CN1[C@@H]([C@@H]1c2ccccc2)C adfdcbe975bdd7d0de12d10ef38329f3 [0,0,0,1,0,0|1,0,2]=4 1241 B15R2.84 C/C=C\CN1C(C1c2ccccc2)C 5c6338e48d87e010b05de6d54ea7be0a [0,0,0,1,0,0|1,0,2]=4 1242 B15R2.84 C/C=C\CN1[C@@H]([C@@H]1c2ccccc2)C c2dc863865693aed4eef6f505ace8554 [0,0,0,1,0,0|1,0,2]=4 1243 B15R2.84 C=CCCN1C(C1c2ccccc2)C 292303ad273eca9a1da59b14004f6cbc [0,0,0,1,0,0|1,0,1]=3 1244 B15R2.84 C=CCCN1[C@@H]([C@@H]1c2ccccc2)C 895588f000a936ad96652aa11576cd3a [0,0,0,1,0,0|1,0,1]=3 1245 B15R2.84 CC#CCN1C(C1c2ccccc2)C eb4c5acf6558407b8f184fcd8dcf736a [0,0,0,1,0,0|1,0,1]=3 1246 B15R2.84 CC#CCN1[C@@H]([C@@H]1c2ccccc2)C 83cfbfcb8799a15c22d4c67568a778dd [0,0,0,1,0,0|1,0,1]=3 1247 B15R2.84 CC1C(N1C/C=C/Cl)c2ccccc2 a69aed4a2790d02c6b6a7ec13f6a9d2c [0,0,0,1,0,0|1,0,2]=4 1248 B15R2.84 CC1C(N1C/C=C\Cl)c2ccccc2 32aed026fa9ce0dbc5c8b2370be02b18 [0,0,0,1,0,0|1,0,2]=4 1249 B15R2.84 CC1C(N1C/C=C\O)c2ccccc2 ecc20aab63bd0ec5fbdbc931ab4303ec [0,0,0,1,0,0|1,0,2]=4 1250 B15R2.84 CC1C(N1CCC#N)c2ccccc2 5cbe3cacf08d3fc51e6f8ec557a92f07 [0,0,0,1,0,0|0,0,0]=1 1251 B15R2.84 CC1C(N1CCC=O)c2ccccc2 5126be668d0cbd5f08354f47ad8c9d47 [0,0,0,1,0,0|1,0,1]=3 1252 B15R2.84 CC1C(N1CCCF)c2ccccc2 76fcca91c1e21c7dc31428a6cf633a91 [0,0,0,1,0,0|1,0,1]=3 1253 B15R2.84 CC1C(N1CCCO)c2ccccc2 fb27346e8f377b2974e940ca070645b9 [0,0,0,1,0,0|1,0,1]=3 1254 B15R2.84 CC1C(N1CCCS)c2ccccc2 ee562103f7bd3ddae7e70e3c55cb0fec [0,0,0,1,0,0|1,0,1]=3 1255 B15R2.84 CC1C(N1CSC#N)c2ccccc2 197580f28bde02c2346b17aaace7d936 [0,0,0,1,0,0|1,0,0]=2 1256 B15R2.84 CCCCN1C(C1c2ccccc2)C b422ab67851f3f22a8d21d005568eb30 [0,0,0,1,0,0|1,0,1]=3 1257 B15R2.84 CCCCN1[C@@H]([C@@H]1c2ccccc2)C 7d13876e59c8f64d196fb75b78e64ec8 [0,0,0,1,0,0|1,0,1]=3 1258 B15R2.84 CCOCN1C(C1c2ccccc2)C 4d70cd8510da51017c430df7d4576aea [0,0,0,1,0,0|2,0,1]=4 1259 B15R2.84 CCOCN1[C@@H]([C@@H]1c2ccccc2)C 59506ff0802d7df9677b73c9343e8a59 [0,0,0,1,0,0|2,0,1]=4 1260 B15R2.84 COCCN1C(C1c2ccccc2)C 006ac799547c10746f4a6cf96b6f7377 [0,0,0,1,0,0|2,0,0]=3 1261 B15R2.84 COCCN1[C@@H]([C@@H]1c2ccccc2)C 265e4045df04bfe3ba16b69d2e9f9d20 [0,0,0,1,0,0|2,0,0]=3 1262 B15R2.84 CSCCN1C(C1c2ccccc2)C c180a291d2176165bb2b5b0f4f920669 [0,0,0,1,0,0|2,0,0]=3 1263 B15R2.84 CSCCN1[C@@H]([C@@H]1c2ccccc2)C a983ac4cad40476e46009af80ff07262 [0,0,0,1,0,0|2,0,0]=3 1264 B15R2.84 C[C@@H]1[C@@H](N1C/C=C/Cl)c2ccccc2 cc7847e001e852623a2b9bcc471f6937 [0,0,0,1,0,0|1,0,2]=4 1265 B15R2.84 C[C@@H]1[C@@H](N1C/C=C\Cl)c2ccccc2 20801a9127ee3285bd1be19b8a1a6579 [0,0,0,1,0,0|1,0,2]=4 1266 B15R2.84 C[C@@H]1[C@@H](N1C/C=C\O)c2ccccc2 f4434795e9c8db0f0fa814ddf90e7763 [0,0,0,1,0,0|1,0,2]=4 1267 B15R2.84 C[C@@H]1[C@@H](N1CCC#N)c2ccccc2 2d1b71e6f016611c0cc4952f4e240d27 [0,0,0,1,0,0|0,0,0]=1 1268 B15R2.84 C[C@@H]1[C@@H](N1CCC=O)c2ccccc2 f42ecddab590e0c77089a6994c1b952b [0,0,0,1,0,0|1,0,1]=3 1269 B15R2.84 C[C@@H]1[C@@H](N1CCCF)c2ccccc2 0d12bf64c9d57ceb776d24e13b6b1480 [0,0,0,1,0,0|1,0,1]=3 1270 B15R2.84 C[C@@H]1[C@@H](N1CCCO)c2ccccc2 0836aa51d97fbb79b56c61cdc9af1421 [0,0,0,1,0,0|1,0,1]=3 1271 B15R2.84 C[C@@H]1[C@@H](N1CCCS)c2ccccc2 a2b132dc6466bc4050cc38809dd8b0d4 [0,0,0,1,0,0|1,0,1]=3 1272 B15R2.84 C[C@@H]1[C@@H](N1CSC#N)c2ccccc2 e235caf0f6364eb28cd8c46b0fcb0c27 [0,0,0,1,0,0|1,0,0]=2 1273 B15R2.1256 CC(Cc1ccccc1)OCC2CC2 0f74f01688ab15cee997e824a5dc9798 [0,0,0,1,0,0|2,0,1]=4 1274 B15R2.1256 CC(Cc1ccccn1)NCC2CC2 8dc2079453c7af252df2a2195b5a4787 [0,0,0,1,0,0|2,0,1]=4 1275 B15R2.1256 CC(Cc1cccnc1)NCC2CC2 d9fcf72494a3366a65c3c8e5ba18b329 [0,0,0,1,0,0|2,0,1]=4 1276 B15R2.1256 CC(Cc1ccncc1)NCC2CC2 687298e97d8f9ec00bbb265716a50571 [0,0,0,1,0,0|2,0,1]=4 1277 B15R2.1256 C[C@@H](Cc1ccccc1)OCC2CC2 9a457b03dcc45c8aee4e7dc1f56994c4 [0,0,0,1,0,0|2,0,1]=4 1278 B15R2.1256 C[C@H](Cc1ccccc1)OCC2CC2 6a8e00425acd22a60508751ea98122c5 [0,0,0,1,0,0|2,0,1]=4 1279 B15R2.1262 C#CCCCN1CC1c2ccccc2 0a725e91a8f86a15548b926441d77009 [0,0,0,1,0,0|3,0,0]=4 1280 B15R2.1262 C#CCCCN1C[C@@H]1c2ccccc2 b74f80de0db002ac27f555086fb31428 [0,0,0,1,0,0|3,0,0]=4 1281 B15R2.1262 C#CCCNC1CC1c2ccccc2 5dddfd56fbc5766805a1d5b23485dd44 [0,0,0,1,0,0|1,0,0]=2 1282 B15R2.1262 C#CCCN[C@@H]1C[C@H]1c2ccccc2 5cd6a869c18f8fdc8c288c50a44b4408 [0,0,0,1,0,0|1,0,0]=2 1283 B15R2.1262 C#CCCN[C@H]1C[C@@H]1c2ccccc2 51fedfda7c2c2c52ab496bb150559cbe [0,0,0,1,0,0|1,0,0]=2 1284 B15R2.1262 C#CCCOC1CC1c2ccccc2 af304845b7a0a74314ce216048f8928e [0,0,0,1,0,0|2,0,0]=3 1285 B15R2.1262 C#CCCO[C@@H]1C[C@H]1c2ccccc2 822a349d86447dc864e5d2b17b9129ca [0,0,0,1,0,0|2,0,0]=3 1286 B15R2.1262 C#CCOCC1CC1c2ccccc2 26e34026edac4b4aef023b65f9d4a054 [0,0,0,1,0,0|3,0,0]=4 1287 B15R2.1262 C#CCOC[C@@H]1C[C@H]1c2ccccc2 e1b1673831d47093512e7a309d7a5871 [0,0,0,1,0,0|3,0,0]=4 1288 B15R2.1262 C/C=C/CNC1CC1c2ccccc2 84939661e013bdc053352bf78e05bf80 [0,0,0,1,0,0|1,0,2]=4 1289 B15R2.1262 C/C=C/CN[C@@H]1C[C@H]1c2ccccc2 23c09a82f8b339f4b95526d3e4182b4d [0,0,0,1,0,0|1,0,2]=4 1290 B15R2.1262 C/C=C/CN[C@H]1C[C@@H]1c2ccccc2 e7d046b42f85c8290737b69bb7721c42 [0,0,0,1,0,0|1,0,2]=4 1291 B15R2.1262 C/C=C\CNC1CC1c2ccccc2 6b81fb198b8e844cadf8dcf6d3cc30f3 [0,0,0,1,0,0|1,0,2]=4 1292 B15R2.1262 C/C=C\CN[C@@H]1C[C@H]1c2ccccc2 869f2a1f81f5c11d034114e66350aa80 [0,0,0,1,0,0|1,0,2]=4 1293 B15R2.1262 C/C=C\CN[C@H]1C[C@@H]1c2ccccc2 7d674893394ad321b24b1126aa6fca56 [0,0,0,1,0,0|1,0,2]=4 1294 B15R2.1262 C=CCCNC1CC1c2ccccc2 9050944873c07b7173a6f236da31cd2b [0,0,0,1,0,0|1,0,1]=3 1295 B15R2.1262 C=CCCN[C@@H]1C[C@H]1c2ccccc2 c6a7542ce0ef4a679f12b39fe659c77b [0,0,0,1,0,0|1,0,1]=3 1296 B15R2.1262 C=CCCN[C@H]1C[C@@H]1c2ccccc2 264a9dfdcba9b37a52bec1f0bca0f4cc [0,0,0,1,0,0|1,0,1]=3 1297 B15R2.1262 C=CCCOC1CC1c2ccccc2 13ed66544777cfa0e137142c22c38cc1 [0,0,0,1,0,0|2,0,1]=4 1298 B15R2.1262 C=CCCO[C@@H]1C[C@H]1c2ccccc2 d7c804f2c749a538d80806f4332f931e [0,0,0,1,0,0|2,0,1]=4 1299 B15R2.1262 CCCCNC1CC1c2ccccc2 2d1144e9dae31a097dfafa226ef05329 [0,0,0,1,0,0|1,0,1]=3 1300 B15R2.1262 CCCCN[C@@H]1C[C@H]1c2ccccc2 6b43ebb494fecd44ccf4a1ff15865e5a [0,0,0,1,0,0|1,0,1]=3 1301 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 65cbb6a5c04a57bdf993de8043bf3d38 [0,0,0,1,0,0|1,0,1]=3 1302 B15R2.1262 CCCCOC1CC1c2ccccc2 4e6a42e46b8c3faa865ae2cdfdf007de [0,0,0,1,0,0|2,0,1]=4 1303 B15R2.1262 CCCCO[C@@H]1C[C@H]1c2ccccc2 e026a3d852f720be775cd826bad43af7 [0,0,0,1,0,0|2,0,1]=4 1304 B15R2.1262 CCOCNC1CC1c2ccccc2 336c0f8a8617ee0430526732638e9e33 [0,0,0,1,0,0|2,0,1]=4 1305 B15R2.1262 CCOCN[C@@H]1C[C@H]1c2ccccc2 48e029120242d31f4481fb74e18581eb [0,0,0,1,0,0|2,0,1]=4 1306 B15R2.1262 CCOCN[C@H]1C[C@@H]1c2ccccc2 cf82ce26d4a4b98c3196027ec8f9f66d [0,0,0,1,0,0|2,0,1]=4 1307 B15R2.1262 COCCNC1CC1c2ccccc2 e81b1106d62be36397346f6809d79559 [0,0,0,1,0,0|2,0,0]=3 1308 B15R2.1262 COCCN[C@@H]1C[C@H]1c2ccccc2 172f8c65c1de29e7570e94dcaa390ab1 [0,0,0,1,0,0|2,0,0]=3 1309 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 c4cb7033a5c9a84b63a152699dfc2205 [0,0,0,1,0,0|2,0,0]=3 1310 B15R2.1262 COCCOC1CC1c2ccccc2 5580b9362897bd2d6eda4b0dec5f2e26 [0,0,0,1,0,0|3,0,0]=4 1311 B15R2.1262 COCCO[C@@H]1C[C@H]1c2ccccc2 987d3071defc39a820cf8772fd5aa3fa [0,0,0,1,0,0|3,0,0]=4 1312 B15R2.1262 CSCCNC1CC1c2ccccc2 ec36d199d3a8b31e4bc1f898f7056351 [0,0,0,1,0,0|2,0,0]=3 1313 B15R2.1262 CSCCN[C@@H]1C[C@H]1c2ccccc2 90639fc433ce0bede1db4c0b091c45bf [0,0,0,1,0,0|2,0,0]=3 1314 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 02aeec3b12bfe24aacaa4c62618ef8c0 [0,0,0,1,0,0|2,0,0]=3 1315 B15R2.1262 CSCCOC1CC1c2ccccc2 29133d37df5fee3e7977f1b05db0554b [0,0,0,1,0,0|3,0,0]=4 1316 B15R2.1262 CSCCO[C@@H]1C[C@H]1c2ccccc2 b909e29448ab5d10781daa3dc2a61d46 [0,0,0,1,0,0|3,0,0]=4 1317 B15R2.1262 Cl/C=C/CNC1CC1c2ccccc2 25cb6c3ec9ad05ccb6b6c4a83bd6682a [0,0,0,1,0,0|1,0,2]=4 1318 B15R2.1262 Cl/C=C/CN[C@@H]1C[C@H]1c2ccccc2 b7978a63d69dec042648a657c7a31939 [0,0,0,1,0,0|1,0,2]=4 1319 B15R2.1262 Cl/C=C/CN[C@H]1C[C@@H]1c2ccccc2 461bece060650838c56422d67eef7f61 [0,0,0,1,0,0|1,0,2]=4 1320 B15R2.1262 Cl/C=C\CNC1CC1c2ccccc2 5ad30f4d8a1242da50d9ab91264e7398 [0,0,0,1,0,0|1,0,2]=4 1321 B15R2.1262 Cl/C=C\CN[C@@H]1C[C@H]1c2ccccc2 7a21b55da54120c83f3d4eb92c249f78 [0,0,0,1,0,0|1,0,2]=4 1322 B15R2.1262 Cl/C=C\CN[C@H]1C[C@@H]1c2ccccc2 f576392897b3b5c157fe5a2551cc6dbd [0,0,0,1,0,0|1,0,2]=4 1323 B15R2.1262 FCCCNC1CC1c2ccccc2 c0db912d6582f6985e67249677d48d2e [0,0,0,1,0,0|1,0,1]=3 1324 B15R2.1262 FCCCN[C@@H]1C[C@H]1c2ccccc2 6ef6e7f8accd287d9e6afe9c66370507 [0,0,0,1,0,0|1,0,1]=3 1325 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 4053e273cd2e4ff44698328e57c0a0ea [0,0,0,1,0,0|1,0,1]=3 1326 B15R2.1262 FCCCOC1CC1c2ccccc2 608772afec3876f55dfaa2c6042d4a90 [0,0,0,1,0,0|2,0,1]=4 1327 B15R2.1262 FCCCO[C@@H]1C[C@H]1c2ccccc2 a9a902883a5da7919f94dfb703e195c2 [0,0,0,1,0,0|2,0,1]=4 1328 B15R2.1262 N#CCCCN1CC1c2ccccc2 65b21d2322711f8a9abc9621446fa920 [0,0,0,1,0,0|2,0,0]=3 1329 B15R2.1262 N#CCCCN1C[C@@H]1c2ccccc2 c800645a40a589ef13996f49f359fa7d [0,0,0,1,0,0|2,0,0]=3 1330 B15R2.1262 N#CCCNC1CC1c2ccccc2 b550912e287754e084f361619596f4bd [0,0,0,1,0,0|0,0,0]=1 1331 B15R2.1262 N#CCCN[C@@H]1C[C@H]1c2ccccc2 8f6fddd48fcbc58c3f6526d355ce3fba [0,0,0,1,0,0|0,0,0]=1 1332 B15R2.1262 N#CCCN[C@H]1C[C@@H]1c2ccccc2 32d03f0e9ac51ed9f6864017dbcbfaaf [0,0,0,1,0,0|0,0,0]=1 1333 B15R2.1262 N#CCCOC1CC1c2ccccc2 69c4037a87cbb4875465f036fb29a1f0 [0,0,0,1,0,0|1,0,0]=2 1334 B15R2.1262 N#CCCO[C@@H]1C[C@H]1c2ccccc2 3c6f85f1273bfcd57c129977360b7a31 [0,0,0,1,0,0|1,0,0]=2 1335 B15R2.1262 N#CCOCC1CC1c2ccccc2 e704e946c247bff727542be94dfabe28 [0,0,0,1,0,0|2,0,0]=3 1336 B15R2.1262 N#CCOCC1CC1c2ccncc2 7c28fe5a6f3dcca524557d077bc35d61 [0,0,0,1,0,0|3,0,0]=4 1337 B15R2.1262 N#CCOC[C@@H]1CC1c2ccncc2 5cf3fb11d93ae921c11f8ea489c2479c [0,0,0,1,0,0|3,0,0]=4 1338 B15R2.1262 N#CCOC[C@@H]1C[C@H]1c2ccccc2 016d0101e032cd7230564b9dd08307aa [0,0,0,1,0,0|2,0,0]=3 1339 B15R2.1262 N#CCOC[C@H]1CC1c2ccncc2 17a763a38dafd592fb1cdbf378df3d8e [0,0,0,1,0,0|3,0,0]=4 1340 B15R2.1262 N#CSCOC1CC1c2ccccc2 99ab8a6b0e64c4a1c349925f6c592668 [0,0,0,1,0,0|2,0,0]=3 1341 B15R2.1262 N#CSCO[C@@H]1C[C@H]1c2ccccc2 5eede7c0fe5c86ebdff1e15a0610bbc7 [0,0,0,1,0,0|2,0,0]=3 1342 B15R2.1262 O/C=C\CNC1CC1c2ccccc2 1c4e8361ec1356613b9c3ae7d2a8b72d [0,0,0,1,0,0|1,0,2]=4 1343 B15R2.1262 O/C=C\CN[C@@H]1C[C@H]1c2ccccc2 2541e207f94ec21620fadf6024f2953a [0,0,0,1,0,0|1,0,2]=4 1344 B15R2.1262 O/C=C\CN[C@H]1C[C@@H]1c2ccccc2 e17243d67c75bd0c411eaa20b002a7ac [0,0,0,1,0,0|1,0,2]=4 1345 B15R2.1262 O=CCCNC1CC1c2ccccc2 2c263f14875fc434d4864b1c8820e95a [0,0,0,1,0,0|1,0,1]=3 1346 B15R2.1262 O=CCCN[C@@H]1C[C@H]1c2ccccc2 537ab6eeeb73d078717d6e8c6d089a52 [0,0,0,1,0,0|1,0,1]=3 1347 B15R2.1262 O=CCCN[C@H]1C[C@@H]1c2ccccc2 b3d66120af0c92f84dad75862699c948 [0,0,0,1,0,0|1,0,1]=3 1348 B15R2.1262 O=CCCOC1CC1c2ccccc2 a9b48062f695ea8efd5ade8deb3e3a97 [0,0,0,1,0,0|2,0,1]=4 1349 B15R2.1262 O=CCCO[C@@H]1C[C@H]1c2ccccc2 7b96d1d55b57ec9c968d1f4d8050247f [0,0,0,1,0,0|2,0,1]=4 1350 B15R2.1262 OCCCNC1CC1c2ccccc2 7f1922419030723af5ef5551bb501800 [0,0,0,1,0,0|1,0,1]=3 1351 B15R2.1262 OCCCN[C@@H]1C[C@H]1c2ccccc2 29d4afe133c24a3c2a4301f35005afa1 [0,0,0,1,0,0|1,0,1]=3 1352 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 90d011022f17f5b92c4abe729b52a772 [0,0,0,1,0,0|1,0,1]=3 1353 B15R2.1262 SCCCNC1CC1c2ccccc2 3b59f0172faf52326d685d27252c6781 [0,0,0,1,0,0|1,0,1]=3 1354 B15R2.1262 SCCCN[C@@H]1C[C@H]1c2ccccc2 1e97856d73306881b7e04da76dfdac3f [0,0,0,1,0,0|1,0,1]=3 1355 B15R2.1262 SCCCN[C@H]1C[C@@H]1c2ccccc2 b4257bcc7d0f40a06f01baa513f80250 [0,0,0,1,0,0|1,0,1]=3 1356 B15R2.1262 SCCCOC1CC1c2ccccc2 64c72748980e6904c67202b578c5fdb0 [0,0,0,1,0,0|2,0,1]=4 1357 B15R2.1262 SCCCO[C@@H]1C[C@H]1c2ccccc2 36da605c133c60f697c9461e1bda9f88 [0,0,0,1,0,0|2,0,1]=4 1358 B15R2.1435 C#CCCN1c2ccccc2CC1C 9a6cfa6a5830a715af4ec5023e32cc83 [0,0,0,1,0,0|1,0,0]=2 1359 B15R2.1435 C#CCCN1c2ccccc2C[C@@H]1C 0a94c37eaa0198a393ca361555d06118 [0,0,0,1,0,0|1,0,0]=2 1360 B15R2.1435 C#CCCN1c2ccccc2C[C@H]1C 1c767014ce8b0bc2afc14c3b7ce1c58b [0,0,0,1,0,0|1,0,0]=2 1361 B15R2.1435 C#CCCN1c2ncccc2CC1C 0f5e3cb48c077161f84d0103028ff3e8 [0,0,0,1,0,0|2,0,0]=3 1362 B15R2.1435 C/C=C/CN1c2ccccc2CC1C 08b40738d640bd70e784153f96299546 [0,0,0,1,0,0|1,0,2]=4 1363 B15R2.1435 C/C=C/CN1c2ccccc2C[C@@H]1C 30d576bbeac046c54f9b5eb1a75a3fa3 [0,0,0,1,0,0|1,0,2]=4 1364 B15R2.1435 C/C=C/CN1c2ccccc2C[C@H]1C 32d1d397f440d706b74c265b938400db [0,0,0,1,0,0|1,0,2]=4 1365 B15R2.1435 C/C=C\CN1c2ccccc2CC1C 233767fd2e656bfbb4eb9a16117987e6 [0,0,0,1,0,0|1,0,2]=4 1366 B15R2.1435 C/C=C\CN1c2ccccc2C[C@@H]1C 415d66b6b8f290fac7455cfd3ccc2461 [0,0,0,1,0,0|1,0,2]=4 1367 B15R2.1435 C/C=C\CN1c2ccccc2C[C@H]1C cd7d0525596394e4bc1369df737f90e6 [0,0,0,1,0,0|1,0,2]=4 1368 B15R2.1435 C=CCCN1c2ccccc2CC1C 6f9ca80bc18112f091b702884e7bd5c6 [0,0,0,1,0,0|1,0,1]=3 1369 B15R2.1435 C=CCCN1c2ccccc2C[C@@H]1C 1f5d0b973121ce6bfba9234974d9c71d [0,0,0,1,0,0|1,0,1]=3 1370 B15R2.1435 C=CCCN1c2ccccc2C[C@H]1C 8ac3728187c1a7101116d534db4a6157 [0,0,0,1,0,0|1,0,1]=3 1371 B15R2.1435 C=CCCN1c2ncccc2CC1C d33d441be555c06b5ea5535348d7eaff [0,0,0,1,0,0|2,0,1]=4 1372 B15R2.1435 CC1Cc2ccccc2N1C/C=C/Cl 1dd7d822422d2af97a46f5899cfd8d06 [0,0,0,1,0,0|1,0,2]=4 1373 B15R2.1435 CC1Cc2ccccc2N1C/C=C\Cl db8c03839e725feb8d969f1d116971c2 [0,0,0,1,0,0|1,0,2]=4 1374 B15R2.1435 CC1Cc2ccccc2N1C/C=C\O 88de978b18e789d49a5e0ed26468c489 [0,0,0,1,0,0|1,0,2]=4 1375 B15R2.1435 CC1Cc2ccccc2N1CCC#N 8bc9acd215d7417bf8950af42558407a [0,0,0,1,0,0|0,0,0]=1 1376 B15R2.1435 CC1Cc2ccccc2N1CCC=O bfe293dd473c14fc81046cf9b5ee0201 [0,0,0,1,0,0|1,0,1]=3 1377 B15R2.1435 CC1Cc2ccccc2N1CCCF 868e4a31ac54d11afadcd5f64926793a [0,0,0,1,0,0|1,0,1]=3 1378 B15R2.1435 CC1Cc2ccccc2N1CCCO 95bcefac3bc5ba72e2a8a4c9f4ce2180 [0,0,0,1,0,0|1,0,1]=3 1379 B15R2.1435 CC1Cc2ccccc2N1CCCS cb69cf09b6ae4a6eb77025c67b9d54d5 [0,0,0,1,0,0|1,0,1]=3 1380 B15R2.1435 CC1Cc2cccnc2N1CCC#N e93731a1adb7a5b24b0e90d034fa5580 [0,0,0,1,0,0|1,0,0]=2 1381 B15R2.1435 CC1Cc2cccnc2N1CCC=O 80a8d1e8e3485f96aa6c8984ff8cac29 [0,0,0,1,0,0|2,0,1]=4 1382 B15R2.1435 CC1Cc2cccnc2N1CCCF 4519c7b7a68d99c95b87cb0a07a191d0 [0,0,0,1,0,0|2,0,1]=4 1383 B15R2.1435 CC1Cc2cccnc2N1CCCO bc367c9d95ef68e538ad16b298e107bc [0,0,0,1,0,0|2,0,1]=4 1384 B15R2.1435 CC1Cc2cccnc2N1CCCS 97c5289402520c0969f42b7790a7c85e [0,0,0,1,0,0|2,0,1]=4 1385 B15R2.1435 CC1Cc2cccnc2N1CSC#N 3f97032baae521891b726738ee205794 [0,0,0,1,0,0|2,0,0]=3 1386 B15R2.1435 CCCCN1c2ccccc2CC1C 1125b7b273a36150c8c629c942317a54 [0,0,0,1,0,0|1,0,1]=3 1387 B15R2.1435 CCCCN1c2ccccc2C[C@@H]1C 6096b5cf977da3bdab08ff1351e3cf91 [0,0,0,1,0,0|1,0,1]=3 1388 B15R2.1435 CCCCN1c2ccccc2C[C@H]1C 61808364e0cc78ae50aed505ca1ae355 [0,0,0,1,0,0|1,0,1]=3 1389 B15R2.1435 CCCCN1c2ncccc2CC1C 67f70802f6ad8dfdf084d030c988ddf5 [0,0,0,1,0,0|2,0,1]=4 1390 B15R2.1435 COCCN1c2ccccc2CC1C 3b930801680ee29ed342ccfcae98949a [0,0,0,1,0,0|2,0,0]=3 1391 B15R2.1435 COCCN1c2ccccc2C[C@@H]1C 099c3798ad70e17192f2da27789c31d6 [0,0,0,1,0,0|2,0,0]=3 1392 B15R2.1435 COCCN1c2ccccc2C[C@H]1C d69b7cd3199c07019fcc3e8afe9e0f95 [0,0,0,1,0,0|2,0,0]=3 1393 B15R2.1435 COCCN1c2ncccc2CC1C f37d58b680cdb94e972dfcb3168cf89a [0,0,0,1,0,0|3,0,0]=4 1394 B15R2.1435 CSCCN1c2ccccc2CC1C aba39188ba7b08b4c3c13e9a4f611852 [0,0,0,1,0,0|2,0,0]=3 1395 B15R2.1435 CSCCN1c2ccccc2C[C@@H]1C 906f64011a1bfe1ae1cd003dfaeb5afe [0,0,0,1,0,0|2,0,0]=3 1396 B15R2.1435 CSCCN1c2ccccc2C[C@H]1C b87c67ab9fd9d352904d298232cfd33a [0,0,0,1,0,0|2,0,0]=3 1397 B15R2.1435 CSCCN1c2ncccc2CC1C 5ee1bd48db89a972e971bb684cf316db [0,0,0,1,0,0|3,0,0]=4 1398 B15R2.1435 C[C@@H]1Cc2ccccc2N1C/C=C/Cl 7d2e6c2f4ad055787c7854ad7456d626 [0,0,0,1,0,0|1,0,2]=4 1399 B15R2.1435 C[C@@H]1Cc2ccccc2N1C/C=C\Cl 3c4acae720b9a539fbf4d2d4ac1bb64f [0,0,0,1,0,0|1,0,2]=4 1400 B15R2.1435 C[C@@H]1Cc2ccccc2N1C/C=C\O 2bdcff22c18519139c32450fb470043e [0,0,0,1,0,0|1,0,2]=4 1401 B15R2.1435 C[C@@H]1Cc2ccccc2N1CCC#N 0ad5a7de0a3239eb38cb35c1c8ccbe30 [0,0,0,1,0,0|0,0,0]=1 1402 B15R2.1435 C[C@@H]1Cc2ccccc2N1CCC=O 7c26fd8fec858a8dff568ac225b6cbd3 [0,0,0,1,0,0|1,0,1]=3 1403 B15R2.1435 C[C@@H]1Cc2ccccc2N1CCCF b15504c6903f97634c14776d8b1e92e8 [0,0,0,1,0,0|1,0,1]=3 1404 B15R2.1435 C[C@@H]1Cc2ccccc2N1CCCO 5492dc8a285915585d06e6fab3a00e6d [0,0,0,1,0,0|1,0,1]=3 1405 B15R2.1435 C[C@@H]1Cc2ccccc2N1CCCS ad9423898e637dc25a5ab779975a17b3 [0,0,0,1,0,0|1,0,1]=3 1406 B15R2.1435 C[C@H]1Cc2ccccc2N1C/C=C/Cl 482ddfae7aa5f3e44d798172c7afdcba [0,0,0,1,0,0|1,0,2]=4 1407 B15R2.1435 C[C@H]1Cc2ccccc2N1C/C=C\Cl a96e9f422f24150de9c0a5b4b7b2b1dd [0,0,0,1,0,0|1,0,2]=4 1408 B15R2.1435 C[C@H]1Cc2ccccc2N1C/C=C\O d58e014bc97f570b162d906c6de91fd2 [0,0,0,1,0,0|1,0,2]=4 1409 B15R2.1435 C[C@H]1Cc2ccccc2N1CCC#N cc338653928914cef2264089fe899afe [0,0,0,1,0,0|0,0,0]=1 1410 B15R2.1435 C[C@H]1Cc2ccccc2N1CCC=O eaa39d0c6804f66a8b35da91f34c84b2 [0,0,0,1,0,0|1,0,1]=3 1411 B15R2.1435 C[C@H]1Cc2ccccc2N1CCCF 7d74bb3eba049e0d93fe90431093721a [0,0,0,1,0,0|1,0,1]=3 1412 B15R2.1435 C[C@H]1Cc2ccccc2N1CCCO a2cae4fa4bdd469fe323ae47cf736bc1 [0,0,0,1,0,0|1,0,1]=3 1413 B15R2.1435 C[C@H]1Cc2ccccc2N1CCCS 4e6700db8732fa54d73ffde1fe91df3a [0,0,0,1,0,0|1,0,1]=3 1414 B15R2.1435 N#CCNC1c2ccccc2CC1O cd327c7eab518c48e689053f09b9f6d1 [0,0,0,1,0,0|3,0,0]=4 1415 B15R2.1435 N#CCN[C@@H]1c2ccccc2C[C@@H]1O 53ba57b75dc4eb72354ab18ed3878da7 [0,0,0,1,0,0|3,0,0]=4 1416 B15R2.1435 N#CCN[C@@H]1c2ccccc2C[C@H]1O 55b195436c5d184655069a534ac6ce50 [0,0,0,1,0,0|3,0,0]=4 1417 B15R2.1435 N#CCN[C@H]1c2ccccc2C[C@@H]1O 9767c810714ef9e0ed12c5ce9e849a9f [0,0,0,1,0,0|3,0,0]=4 1418 B15R2.1435 N#CCN[C@H]1c2ccccc2C[C@H]1O 90e0f837fbfe012fe4e75c836ecbae50 [0,0,0,1,0,0|3,0,0]=4 1419 B15R2.2203 C#CCCCN1Cc2ccccc2C1 46c11d39dbeb208bcc3db963e1bb5904 [0,0,0,1,0,0|3,0,0]=4 1420 B15R2.2203 C#CCCNC1Cc2cccnc2C1 c8d49b94503df354dc28d790af1ec7bb [0,0,0,1,0,0|2,0,0]=3 1421 B15R2.2203 C#CCCNC1Cc2ccncc2C1 1b42655e4a375838e1b7fc481e3958df [0,0,0,1,0,0|2,0,0]=3 1422 B15R2.2203 C#CCCOC1Cc2ccccc2C1 5e800491da7f7bfe6eed2730e905fbb7 [0,0,0,1,0,0|2,0,0]=3 1423 B15R2.2203 C#CCCOC1Cc2cccnc2C1 4a639874a276709fd74a761652bee0cb [0,0,0,1,0,0|3,0,0]=4 1424 B15R2.2203 C#CCNCC1Cc2ccccc2C1 76f8a85c7cb7462c068ef0b2e6a68ffb [0,0,0,1,0,0|3,0,0]=4 1425 B15R2.2203 C#CCOCC1Cc2ccccc2C1 7f6842168b07bf521d1601802c447bbc [0,0,0,1,0,0|3,0,0]=4 1426 B15R2.2203 C=CCCNC1Cc2ccccc2C1 5edae20b964e4078ca9904a7cd640420 [0,0,0,1,0,0|1,0,1]=3 1427 B15R2.2203 C=CCCNC1Cc2cccnc2C1 32f5ced5942c6fb99b818cc75ca4ae96 [0,0,0,1,0,0|2,0,1]=4 1428 B15R2.2203 C=CCCNC1Cc2ccncc2C1 6d403df984b0cd2c65ce680c7fd4d288 [0,0,0,1,0,0|2,0,1]=4 1429 B15R2.2203 C=CCCOC1Cc2ccccc2C1 3c7d94f0f3ee6e5920a34945eb370446 [0,0,0,1,0,0|2,0,1]=4 1430 B15R2.2203 CC=CCNC1Cc2ccccc2C1 4fadcf8d0ad68e393c5dc4784a8a6646 [0,0,0,1,0,0|1,0,2]=4 1431 B15R2.2203 CCCCNC1Cc2cccnc2C1 3267a770c345f1d42f436684e1b508d8 [0,0,0,1,0,0|2,0,1]=4 1432 B15R2.2203 CCCCNC1Cc2ccncc2C1 1f709f7d087dccb8700b7f716bf681ad [0,0,0,1,0,0|2,0,1]=4 1433 B15R2.2203 CCCCOC1Cc2ccccc2C1 664a92fc9198b7944be949b69df19769 [0,0,0,1,0,0|2,0,1]=4 1434 B15R2.2203 COCCNC1Cc2cccnc2C1 8ccbe1477623b7191f796a51965ac57c [0,0,0,1,0,0|3,0,0]=4 1435 B15R2.2203 COCCNC1Cc2ccncc2C1 a136386e2709a52fa864faeb854928c6 [0,0,0,1,0,0|3,0,0]=4 1436 B15R2.2203 COCCOC1Cc2ccccc2C1 917cf487097826b96b37fb97f76877c7 [0,0,0,1,0,0|3,0,0]=4 1437 B15R2.2203 CSCCNC1Cc2cccnc2C1 0a8f5ca5f5efef4bcc7ecfc540d09a90 [0,0,0,1,0,0|3,0,0]=4 1438 B15R2.2203 CSCCNC1Cc2ccncc2C1 1eb61d96820feb3b63086c2bbcd817ca [0,0,0,1,0,0|3,0,0]=4 1439 B15R2.2203 CSCCOC1Cc2ccccc2C1 3721d5818cfb2923bf24fe232da60383 [0,0,0,1,0,0|3,0,0]=4 1440 B15R2.2203 FCCCNC1Cc2cccnc2C1 eaa1e675f8ed8fe3740e39e19af7d6f8 [0,0,0,1,0,0|2,0,1]=4 1441 B15R2.2203 FCCCNC1Cc2ccncc2C1 bcb60445214e768c01b76151df9abf70 [0,0,0,1,0,0|2,0,1]=4 1442 B15R2.2203 FCCCOC1Cc2ccccc2C1 8bfc81530ae55f49a10cff076eab48b1 [0,0,0,1,0,0|2,0,1]=4 1443 B15R2.2203 N#CCCCN1Cc2ccccc2C1 b86e3f93bda671022155ee00190308f3 [0,0,0,1,0,0|2,0,0]=3 1444 B15R2.2203 N#CCCCN1Cc2cccnc2C1 719eb42394d3412d6aacaa02c9cec4c3 [0,0,0,1,0,0|3,0,0]=4 1445 B15R2.2203 N#CCCCN1Cc2ccncc2C1 d85e51e88f6cbafb07efaef1719b5f0b [0,0,0,1,0,0|3,0,0]=4 1446 B15R2.2203 N#CCCNC1Cc2cccnc2C1 3201ba83bbcc83a445f546f5bd957a78 [0,0,0,1,0,0|1,0,0]=2 1447 B15R2.2203 N#CCCNC1Cc2ccncc2C1 8a51a80e2a8c8844792359af2e9039d5 [0,0,0,1,0,0|1,0,0]=2 1448 B15R2.2203 N#CCCNc1cc2ccccc2o1 7688a92bcb27a0c76e120603affcc016 [0,0,0,1,0,0|1,0,2]=4 1449 B15R2.2203 N#CCCNc1cc2ccccc2s1 cbdb66461b8534c0d582262fc254d42a [0,0,0,1,0,0|1,0,2]=4 1450 B15R2.2203 N#CCCNc1nc2ccccc2[nH]1 18ac3fd8780515889d26029ef307fdff [0,0,0,1,0,0|2,0,1]=4 1451 B15R2.2203 N#CCCNc1nc2ccccc2o1 1bd3e6a0406c3c7d871c02087f626dc1 [0,0,0,1,0,0|2,0,1]=4 1452 B15R2.2203 N#CCCNc1nc2ccccc2s1 824337bbf3f06a79dea5aca37f13b3b1 [0,0,0,1,0,0|2,0,1]=4 1453 B15R2.2203 N#CCCOC1Cc2ccccc2C1 e88d36fb5fce38702bf660820b9095c9 [0,0,0,1,0,0|1,0,0]=2 1454 B15R2.2203 N#CCCOC1Cc2cccnc2C1 6db47258a4a8cd9025049ca88a5f51e4 [0,0,0,1,0,0|2,0,0]=3 1455 B15R2.2203 N#CCNCC1Cc2ccccc2C1 958acd8fdb7c4399c9daba76c8127ce9 [0,0,0,1,0,0|2,0,0]=3 1456 B15R2.2203 N#CCNCC1Cc2ccccc2O1 44130f6e8ac06f73b527090602796231 [0,0,0,1,0,0|3,0,0]=4 1457 B15R2.2203 N#CCOCC1Cc2ccccc2C1 27ea83ce47aad2a42d0e75ce39fe60ab [0,0,0,1,0,0|2,0,0]=3 1458 B15R2.2203 N#CCOCC1Cc2ccccc2O1 fe240e69faa6cf2b95029e1d094f235e [0,0,0,1,0,0|3,0,0]=4 1459 B15R2.2203 N#CSCOC1Cc2ccccc2C1 c4bf74274da5c6a2e7a26dfa5208e57d [0,0,0,1,0,0|2,0,0]=3 1460 B15R2.2203 N#CSCOC1Cc2cccnc2C1 99fb3f921449bae46c28978136a418e0 [0,0,0,1,0,0|3,0,0]=4 1461 B15R2.2203 O=CCCNC1Cc2cccnc2C1 b1c2d55a4d49adf0417b906eebabe54a [0,0,0,1,0,0|2,0,1]=4 1462 B15R2.2203 O=CCCNC1Cc2ccncc2C1 27b7d4d624cd660b896942e4896c8b11 [0,0,0,1,0,0|2,0,1]=4 1463 B15R2.2203 O=CCCOC1Cc2ccccc2C1 1781f35bfc8c6258a5fbf5b192d2d68d [0,0,0,1,0,0|2,0,1]=4 1464 B15R2.2203 OCCCNC1Cc2cccnc2C1 29af25fc95dde8754e94a7ddfc5374ef [0,0,0,1,0,0|2,0,1]=4 1465 B15R2.2203 OCCCNC1Cc2ccncc2C1 a5d2f07f191f947048a95fc268e91d0c [0,0,0,1,0,0|2,0,1]=4 1466 B15R2.2203 SCCCNC1Cc2cccnc2C1 d74ec99d58dec0faf9ebd6805c4b0da4 [0,0,0,1,0,0|2,0,1]=4 1467 B15R2.2203 SCCCNC1Cc2ccncc2C1 4e128e17693c9312a364a484ebe1ff8f [0,0,0,1,0,0|2,0,1]=4 1468 B15R2.2203 SCCCOC1Cc2ccccc2C1 f296346675e58a420bdbbfca892f93e7 [0,0,0,1,0,0|2,0,1]=4 1469 B15R2.4392 C#CCN1CC(Cc2c1cccc2)C b07ecbaf98bb7591fdc0b0086cca3014 [0,0,0,1,0,0|3,0,0]=4 1470 B15R2.4392 CC1CN(c2ccccc2O1)CC#N e1142765d0a917d69247e78c6d2431d6 [0,0,0,1,0,0|3,0,0]=4 1471 B15R2.4392 CC1CN(c2ccccc2S1)CC#N 46f671fa29d048ad9e3bac049ec40678 [0,0,0,1,0,0|3,0,0]=4 1472 B15R2.4392 CC1Cc2ccccc2N(C1)CC#N 199edb1143c33ac6d30a3ca58990ff4c [0,0,0,1,0,0|2,0,0]=3 1473 B15R2.4392 N#CCN1CC(Cc2c1cccc2)O 3b51023375ebae5b3f10ed4c1e9bed3d [0,0,0,1,0,0|3,0,0]=4 1474 B15R2.4392 N#CCN1C[C@@H](Cc2c1cccc2)O d6a51edd626d192b8e41fbcad41cfd6f [0,0,0,1,0,0|3,0,0]=4 1475 B15R2.4392 N#CCN1C[C@H](Cc2c1cccc2)O ed3fd12ae6ee450d0dba300a4b46b4e3 [0,0,0,1,0,0|3,0,0]=4 1476 B15R2.16446 CC(Cc1ccccn1)NC2CCC2 44bfe6888e9fda035b1b0fb0a93e0dee [0,0,0,1,0,0|2,0,1]=4 1477 B13R1.24 C#CCCCN(C)c1ccccc1 06f46ecc7f8a56b97476f47869d6248e [0,0,0,0,1,0|3,0,0]=4 1478 B13R1.24 C#CCCNC(=O)c1ccccc1 1ab9df97855d389ba231430e3e5312d1 [0,0,0,0,1,0|2,0,1]=4 1479 B13R1.24 C#CCCNC(C)c1ccccc1 2f832e64d656e3bb24ef0e3926f0107d [0,0,0,0,1,0|1,0,0]=2 1480 B13R1.24 C#CCCNC(C)c1ccccn1 948f2d925e4eb2fe62fe83d5901dad07 [0,0,0,0,1,0|2,0,0]=3 1481 B13R1.24 C#CCCNC(C)c1cccnc1 aefcc90f77936751e37a3b82fe8d62b0 [0,0,0,0,1,0|2,0,0]=3 1482 B13R1.24 C#CCCNC(C)c1cccnn1 52c99449ce2cf403c0dee527633bc4d6 [0,0,0,0,1,0|3,0,0]=4 1483 B13R1.24 C#CCCNC(C)c1ccncc1 d7239a61a336b2cf5f8e94e9be81d6fd [0,0,0,0,1,0|2,0,0]=3 1484 B13R1.24 C#CCCNC(C)c1ccncn1 d2501c6af8c10ad5d2ca5a429c08f660 [0,0,0,0,1,0|3,0,0]=4 1485 B13R1.24 C#CCCNC(C)c1ccnnc1 4fc7bc33dfbad6f51b75cf097187c1e9 [0,0,0,0,1,0|3,0,0]=4 1486 B13R1.24 C#CCCNC(C)c1cnccn1 d94fbc9e23ff33651f43550989347fad [0,0,0,0,1,0|3,0,0]=4 1487 B13R1.24 C#CCCNC(C)c1cncnc1 de6dfaa0637f23ac164c45d8c3783baa [0,0,0,0,1,0|3,0,0]=4 1488 B13R1.24 C#CCCNC(C)c1ncccn1 68125d97816ee3f5f99d8015857ce57f [0,0,0,0,1,0|3,0,0]=4 1489 B13R1.24 C#CCCN[C@@H](C)c1ccccc1 4b627c9e1f86e29fbca69db6e92037f9 [0,0,0,0,1,0|1,0,0]=2 1490 B13R1.24 C#CCCN[C@@H](C)c1ccccn1 715f0cd9cdd04f51b08141c678f71efe [0,0,0,0,1,0|2,0,0]=3 1491 B13R1.24 C#CCCN[C@@H](C)c1cccnc1 26c35048ce03c53cab7e686062025fb9 [0,0,0,0,1,0|2,0,0]=3 1492 B13R1.24 C#CCCN[C@@H](C)c1ccncc1 3d018282b335bb15d18bd29e3f887e32 [0,0,0,0,1,0|2,0,0]=3 1493 B13R1.24 C#CCCN[C@@H](C)c1cncnc1 6b163e5afede80b44935fb3ff748de35 [0,0,0,0,1,0|3,0,0]=4 1494 B13R1.24 C#CCCN[C@H](C)c1ccccc1 834d7c6f38913b9b3868e2b12cd998ff [0,0,0,0,1,0|1,0,0]=2 1495 B13R1.24 C#CCCN[C@H](C)c1ccccn1 97d314e6cf7f80651acf9de1ba66fcf3 [0,0,0,0,1,0|2,0,0]=3 1496 B13R1.24 C#CCCN[C@H](C)c1cccnc1 1ac4e8b68e0976c9f2f7a3fecd65e314 [0,0,0,0,1,0|2,0,0]=3 1497 B13R1.24 C#CCCN[C@H](C)c1ccncc1 a38ea92cc3f53a0045ff9d1430cbd5b3 [0,0,0,0,1,0|2,0,0]=3 1498 B13R1.24 C#CCCN[C@H](C)c1cncnc1 0f911e34af77550a4a7bd2a3caa17346 [0,0,0,0,1,0|3,0,0]=4 1499 B13R1.24 C#CCCOC(C)c1ccccc1 416223c28e59c25eda2986e24e10b6ec [0,0,0,0,1,0|2,0,0]=3 1500 B13R1.24 C#CCCOC(C)c1ccccn1 044f51cef42dc7968e3d6e8b4dbfaf70 [0,0,0,0,1,0|3,0,0]=4 1501 B13R1.24 C#CCCOC(C)c1cccnc1 970454927aa6c07e021f76277cc1bf6c [0,0,0,0,1,0|3,0,0]=4 1502 B13R1.24 C#CCCOC(C)c1ccncc1 e505966f452c24c96bea9892eca9402d [0,0,0,0,1,0|3,0,0]=4 1503 B13R1.24 C#CCCO[C@@H](C)c1ccccc1 a1af27862d11871d9b1bc0fca465393c [0,0,0,0,1,0|2,0,0]=3 1504 B13R1.24 C#CCCO[C@@H](C)c1ccccn1 bf18c209b91d577fbc4c461a7d15cb5e [0,0,0,0,1,0|3,0,0]=4 1505 B13R1.24 C#CCCO[C@@H](C)c1cccnc1 58f24f0253541b33cc3ddaa61ac9730f [0,0,0,0,1,0|3,0,0]=4 1506 B13R1.24 C#CCCO[C@@H](C)c1ccncc1 104513e26b7232e8536df088925772f3 [0,0,0,0,1,0|3,0,0]=4 1507 B13R1.24 C#CCCO[C@H](C)c1ccccc1 f4a780bc5832b847b3c100fc7f363c27 [0,0,0,0,1,0|2,0,0]=3 1508 B13R1.24 C#CCCO[C@H](C)c1ccccn1 65f6b0b71f1a7892175d7f691d005d02 [0,0,0,0,1,0|3,0,0]=4 1509 B13R1.24 C#CCCO[C@H](C)c1cccnc1 ab4b7d7e186089b3c8f356d36ffede7c [0,0,0,0,1,0|3,0,0]=4 1510 B13R1.24 C#CCCO[C@H](C)c1ccncc1 0a9ea68b6fa89d41eff650d82f5bfe0f [0,0,0,0,1,0|3,0,0]=4 1511 B13R1.24 C#CCNCC(C)c1ccccc1 0246579b3cee2f7f2fc5568b6b380ffd [0,0,0,0,1,0|3,0,0]=4 1512 B13R1.24 C#CCNC[C@@H](C)c1ccccc1 724a6b0c4f1e05afe599abd8653c361a [0,0,0,0,1,0|3,0,0]=4 1513 B13R1.24 C#CCNC[C@H](C)c1ccccc1 52449baa14cc23c68d909f037c87102f [0,0,0,0,1,0|3,0,0]=4 1514 B13R1.24 C#CCOCC(C)c1ccccc1 9357fac14c6f6e463afa65b717bf091c [0,0,0,0,1,0|3,0,0]=4 1515 B13R1.24 C#CCOC[C@@H](C)c1ccccc1 327e4a890a8a0b31a542f6a8f99359a7 [0,0,0,0,1,0|3,0,0]=4 1516 B13R1.24 C#CCOC[C@H](C)c1ccccc1 6ba5c4b54c539e3e4b751a8cf982d93c [0,0,0,0,1,0|3,0,0]=4 1517 B13R1.24 C/C=C/CNC(C)c1ccccc1 01719991704875a038b36a81c2db7987 [0,0,0,0,1,0|1,0,2]=4 1518 B13R1.24 C/C=C/CN[C@@H](C)c1ccccc1 0fca2022d80e65da8978bc3af7dd8275 [0,0,0,0,1,0|1,0,2]=4 1519 B13R1.24 C/C=C/CN[C@H](C)c1ccccc1 04a5ad9a4bc131561a0f525c2b7a054f [0,0,0,0,1,0|1,0,2]=4 1520 B13R1.24 C/C=C\CNC(C)c1ccccc1 f43c9624cc55fd3fe55d13a719c6f37b [0,0,0,0,1,0|1,0,2]=4 1521 B13R1.24 C/C=C\CN[C@@H](C)c1ccccc1 bab317da400ee01b4a621d69a8eb66cd [0,0,0,0,1,0|1,0,2]=4 1522 B13R1.24 C/C=C\CN[C@H](C)c1ccccc1 30ab4caa4dd1b1ba3fbc841e7a8fd5cb [0,0,0,0,1,0|1,0,2]=4 1523 B13R1.24 C=CCCNC(C)c1ccccc1 6b9f48ba0df0a4ad012f6c302a9572a9 [0,0,0,0,1,0|1,0,1]=3 1524 B13R1.24 C=CCCNC(C)c1ccccn1 58870c47055f008ad60eef0220fe559b [0,0,0,0,1,0|2,0,1]=4 1525 B13R1.24 C=CCCNC(C)c1cccnc1 89209edb8ae0bf3d765b30af2d24256e [0,0,0,0,1,0|2,0,1]=4 1526 B13R1.24 C=CCCNC(C)c1ccncc1 e0315a610c362f35d51173dedc552ad4 [0,0,0,0,1,0|2,0,1]=4 1527 B13R1.24 C=CCCN[C@@H](C)c1ccccc1 657b607f79dcf9a306f0c89175afde04 [0,0,0,0,1,0|1,0,1]=3 1528 B13R1.24 C=CCCN[C@@H](C)c1ccccn1 ecc013654cf1d63881bc73d9f0f293f0 [0,0,0,0,1,0|2,0,1]=4 1529 B13R1.24 C=CCCN[C@@H](C)c1cccnc1 d8918f24343cda8f3839dad7c9e2a8e2 [0,0,0,0,1,0|2,0,1]=4 1530 B13R1.24 C=CCCN[C@@H](C)c1ccncc1 1517b18ebeca6102030fa88ad8a507ab [0,0,0,0,1,0|2,0,1]=4 1531 B13R1.24 C=CCCN[C@H](C)c1ccccc1 db2cd906de031a9b110fbf7bb62e0a54 [0,0,0,0,1,0|1,0,1]=3 1532 B13R1.24 C=CCCN[C@H](C)c1ccccn1 8e1d852ee37c700ed72a7fcc5515bc0f [0,0,0,0,1,0|2,0,1]=4 1533 B13R1.24 C=CCCN[C@H](C)c1cccnc1 595aece5e49c8cfb34fa2c6d7f90c74c [0,0,0,0,1,0|2,0,1]=4 1534 B13R1.24 C=CCCN[C@H](C)c1ccncc1 7beb73491948cf0a565b64b0a219e9a7 [0,0,0,0,1,0|2,0,1]=4 1535 B13R1.24 C=CCCOC(C)c1ccccc1 814d0d38fe0856ff53dad432d0eb29c0 [0,0,0,0,1,0|2,0,1]=4 1536 B13R1.24 C=CCCO[C@@H](C)c1ccccc1 f4fae576539ba60f90f2819c19375704 [0,0,0,0,1,0|2,0,1]=4 1537 B13R1.24 C=CCCO[C@H](C)c1ccccc1 e8ac1bcadd14bda57a7fd12422815d14 [0,0,0,0,1,0|2,0,1]=4 1538 B13R1.24 CC(CCNC#N)c1ccccc1 619dc711d44655f836aabf6e2de6217e [0,0,0,0,1,0|2,0,0]=3 1539 B13R1.24 CC(CNCC#N)c1ccccc1 fbab9223b50b9bac05eac51651442984 [0,0,0,0,1,0|2,0,0]=3 1540 B13R1.24 CC(COCC#N)c1ccccc1 d1572c6d4524153f3953854e134e1873 [0,0,0,0,1,0|2,0,0]=3 1541 B13R1.24 CC(COCC#N)c1ccccn1 72a0033b0c9b8b472d0cf31a542fcfbf [0,0,0,0,1,0|3,0,0]=4 1542 B13R1.24 CC(NC/C=C/Cl)c1ccccc1 5631b7080fec3ad5a16a50cffe9d51cc [0,0,0,0,1,0|1,0,2]=4 1543 B13R1.24 CC(NC/C=C\Cl)c1ccccc1 c61f03eee14b55a5463c2fd51bc915c5 [0,0,0,0,1,0|1,0,2]=4 1544 B13R1.24 CC(NC/C=C\O)c1ccccc1 13c455cc73387bafba67039f8c5ef023 [0,0,0,0,1,0|1,0,2]=4 1545 B13R1.24 CC(NCCC#N)c1ccccc1 6d36adfbe2e6d54e7f3164a8e01c9e73 [0,0,0,0,1,0|0,0,0]=1 1546 B13R1.24 CC(NCCC#N)c1ccccn1 6e88d2599b54af278851c46f8f8e88bf [0,0,0,0,1,0|1,0,0]=2 1547 B13R1.24 CC(NCCC#N)c1cccnc1 8722d0fdb1b0b13316f5d1acfaddac64 [0,0,0,0,1,0|1,0,0]=2 1548 B13R1.24 CC(NCCC#N)c1cccnn1 68cdba59576f7bce76d30cf6f72b5f5e [0,0,0,0,1,0|2,0,0]=3 1549 B13R1.24 CC(NCCC#N)c1ccncc1 d9b4f3fe7c15bea98b13bcd47a2b06bf [0,0,0,0,1,0|1,0,0]=2 1550 B13R1.24 CC(NCCC#N)c1ccncn1 f0e032f8be4b6d5ae3e484f4fbc2ee2b [0,0,0,0,1,0|2,0,0]=3 1551 B13R1.24 CC(NCCC#N)c1ccnnc1 d2d68ada8b4bd64b9d9bd1e5898de0c5 [0,0,0,0,1,0|2,0,0]=3 1552 B13R1.24 CC(NCCC#N)c1cnccn1 d97a73c8e3241994b4fc7d696a4dac4c [0,0,0,0,1,0|2,0,0]=3 1553 B13R1.24 CC(NCCC#N)c1cncnc1 b8fce68476d5f5fa79cf4022ca56610f [0,0,0,0,1,0|2,0,0]=3 1554 B13R1.24 CC(NCCC#N)c1ncccn1 58ab49aa6441fce702d53434e81defe3 [0,0,0,0,1,0|2,0,0]=3 1555 B13R1.24 CC(NCCC=O)c1ccccc1 813235d5988f5f563c4cfb06bc653222 [0,0,0,0,1,0|1,0,1]=3 1556 B13R1.24 CC(NCCC=O)c1ccccn1 6dc3efb43ae0bdfd5bf7b2272deb12ff [0,0,0,0,1,0|2,0,1]=4 1557 B13R1.24 CC(NCCC=O)c1cccnc1 616662fe949bb84d0dd4df71b70c1441 [0,0,0,0,1,0|2,0,1]=4 1558 B13R1.24 CC(NCCC=O)c1ccncc1 6f545f78667a25139d03b29f6b517962 [0,0,0,0,1,0|2,0,1]=4 1559 B13R1.24 CC(NCCCF)c1ccccc1 707b70202f4f1ba3be1fdfcd2fa2e408 [0,0,0,0,1,0|1,0,1]=3 1560 B13R1.24 CC(NCCCF)c1ccccn1 a2dc0b0d2ac2189d42c40167f2d19138 [0,0,0,0,1,0|2,0,1]=4 1561 B13R1.24 CC(NCCCF)c1cccnc1 30c55273469fe9ef10582cecb7f7b307 [0,0,0,0,1,0|2,0,1]=4 1562 B13R1.24 CC(NCCCF)c1ccncc1 f8499c98c4acab89491d5f27366c747a [0,0,0,0,1,0|2,0,1]=4 1563 B13R1.24 CC(NCCCO)c1ccccn1 df4131688276c2f75e671aad9d7e97d1 [0,0,0,0,1,0|2,0,1]=4 1564 B13R1.24 CC(NCCCO)c1cccnc1 78222e59cfa817b7b58bdccbdc705d0c [0,0,0,0,1,0|2,0,1]=4 1565 B13R1.24 CC(NCCCO)c1ccncc1 9a24dc74614b11627ecc75ffc1d2b583 [0,0,0,0,1,0|2,0,1]=4 1566 B13R1.24 CC(NCCCS)c1ccccc1 02945c5dc66ab962443151909d7d4e83 [0,0,0,0,1,0|1,0,1]=3 1567 B13R1.24 CC(NCCCS)c1ccccn1 88bb78e1eea0ce4f4a9cd3878064040d [0,0,0,0,1,0|2,0,1]=4 1568 B13R1.24 CC(NCCCS)c1cccnc1 7857059a04eff7a5ea7bddda4efebe76 [0,0,0,0,1,0|2,0,1]=4 1569 B13R1.24 CC(NCCCS)c1ccncc1 c15d782533bf1abf47eb32c081296602 [0,0,0,0,1,0|2,0,1]=4 1570 B13R1.24 CC(NCSC#N)c1ccncc1 bf9ea0521ef9a8516661c56aa13685ad [0,0,0,0,1,0|2,0,0]=3 1571 B13R1.24 CC(NCSC#N)c1ccnnc1 f2ee6db1b02ae65b9de2e576480b9a04 [0,0,0,0,1,0|3,0,0]=4 1572 B13R1.24 CC(NCSC#N)c1cnccn1 fb8632032b8f871452fc21e0c73e1d8b [0,0,0,0,1,0|3,0,0]=4 1573 B13R1.24 CC(NCSC#N)c1ncccn1 1e907b9b5d26fefe966f5ddd00409302 [0,0,0,0,1,0|3,0,0]=4 1574 B13R1.24 CC(OCCC#N)c1ccccc1 49d1e33c954f44468df47b2ced5c540b [0,0,0,0,1,0|1,0,0]=2 1575 B13R1.24 CC(OCCC#N)c1ccccn1 632c161035fd7e810049c466cba6abcd [0,0,0,0,1,0|2,0,0]=3 1576 B13R1.24 CC(OCCC#N)c1cccnc1 1e2635f2ec79f56f4f7253f094593fa5 [0,0,0,0,1,0|2,0,0]=3 1577 B13R1.24 CC(OCCC#N)c1cccnn1 93d871657d63c8863423921204e060fe [0,0,0,0,1,0|3,0,0]=4 1578 B13R1.24 CC(OCCC#N)c1ccncc1 91df993d0db6f02db860b9a9c2fc3f26 [0,0,0,0,1,0|2,0,0]=3 1579 B13R1.24 CC(OCCC#N)c1cnccn1 9a491339d439c8fc3f174b5ffe858bcc [0,0,0,0,1,0|3,0,0]=4 1580 B13R1.24 CC(OCCC#N)c1cncnc1 771e962cabe5a4ac8b70bbc09cfe4df0 [0,0,0,0,1,0|3,0,0]=4 1581 B13R1.24 CC(OCCC#N)c1ncccn1 c01b6cd1422642a1f86e4b4f15ebadd9 [0,0,0,0,1,0|3,0,0]=4 1582 B13R1.24 CC(OCCC=O)c1ccccc1 42aa8e1eee461db3b6cd142851f20307 [0,0,0,0,1,0|2,0,1]=4 1583 B13R1.24 CC(OCCCF)c1ccccc1 da6636e75ac33040de8989875fad3e1e [0,0,0,0,1,0|2,0,1]=4 1584 B13R1.24 CC(OCCCS)c1ccccc1 73d023d8f78e1d608d7c4c459a4426b8 [0,0,0,0,1,0|2,0,1]=4 1585 B13R1.24 CC(OCSC#N)c1ccccc1 a9d11e2f4e5b3efd367524c27a77efe1 [0,0,0,0,1,0|2,0,0]=3 1586 B13R1.24 CC(OCSC#N)c1ccccn1 3177a89835081a4f2ad79612008eb6a0 [0,0,0,0,1,0|3,0,0]=4 1587 B13R1.24 CC(OCSC#N)c1ccncc1 245055c4504c1bea70073ff530bc0081 [0,0,0,0,1,0|3,0,0]=4 1588 B13R1.24 CC=CCNC(C)c1ccccc1 9d71e6349f1731aceb846ea8648c3d46 [0,0,0,0,1,0|1,0,2]=4 1589 B13R1.24 CC=CCN[C@@H](C)c1ccccc1 7c89fdf25eeb5081aab49523fa9cf2ae [0,0,0,0,1,0|1,0,2]=4 1590 B13R1.24 CC=CCN[C@H](C)c1ccccc1 dbe5acd27ad361af5906140540f653e1 [0,0,0,0,1,0|1,0,2]=4 1591 B13R1.24 CCCCNC(C)c1ccccc1 ba9da65c92ba7fc468e0c4b78ba99ccc [0,0,0,0,1,0|1,0,1]=3 1592 B13R1.24 CCCCNC(C)c1ccccn1 fe9f05efea480959840e0a18da829fca [0,0,0,0,1,0|2,0,1]=4 1593 B13R1.24 CCCCNC(C)c1cccnc1 218a75e39d96e89f8d1190f7477f1e65 [0,0,0,0,1,0|2,0,1]=4 1594 B13R1.24 CCCCNC(C)c1ccncc1 a987aa7ed549bd67f361f35be6248d4e [0,0,0,0,1,0|2,0,1]=4 1595 B13R1.24 CCCCN[C@@H](C)c1ccccc1 57b5e3ebff75ef31a64a222a6226a276 [0,0,0,0,1,0|1,0,1]=3 1596 B13R1.24 CCCCN[C@@H](C)c1ccccn1 343d6d4660d110198c1e6ec2467188d4 [0,0,0,0,1,0|2,0,1]=4 1597 B13R1.24 CCCCN[C@@H](C)c1cccnc1 bef95405f01950ed3999d608bbd1b879 [0,0,0,0,1,0|2,0,1]=4 1598 B13R1.24 CCCCN[C@@H](C)c1ccncc1 53d89e44c13639334e18617b81e2a1c4 [0,0,0,0,1,0|2,0,1]=4 1599 B13R1.24 CCCCN[C@H](C)c1ccccc1 24dfb549a40c55400336ed3b2bc45c90 [0,0,0,0,1,0|1,0,1]=3 1600 B13R1.24 CCCCN[C@H](C)c1ccccn1 bb7b8fb961b98d4b1b6e53dbc5602bc9 [0,0,0,0,1,0|2,0,1]=4 1601 B13R1.24 CCCCN[C@H](C)c1cccnc1 fdb6dec34bc839f674b6daf22caa8500 [0,0,0,0,1,0|2,0,1]=4 1602 B13R1.24 CCCCN[C@H](C)c1ccncc1 dad4e335f88fc5755efbc336a3a131cd [0,0,0,0,1,0|2,0,1]=4 1603 B13R1.24 CCCCOC(C)c1ccccc1 116618646832f472e55dfbe2113618bc [0,0,0,0,1,0|2,0,1]=4 1604 B13R1.24 CCCCO[C@@H](C)c1ccccc1 93a610cc42c8d64b3ebf86e26c026ac9 [0,0,0,0,1,0|2,0,1]=4 1605 B13R1.24 CCCCO[C@H](C)c1ccccc1 11ad6d63bfec5cb3281b9eb95b5e04f0 [0,0,0,0,1,0|2,0,1]=4 1606 B13R1.24 CCOCNC(C)c1ccccc1 43e854261718f26338edd1c9cfe9440f [0,0,0,0,1,0|2,0,1]=4 1607 B13R1.24 CCOCN[C@@H](C)c1ccccc1 d8445fce5d6253e8f5271c53876afd8e [0,0,0,0,1,0|2,0,1]=4 1608 B13R1.24 CCOCN[C@H](C)c1ccccc1 b7dc7113b2b5bcd070a69ab867786a69 [0,0,0,0,1,0|2,0,1]=4 1609 B13R1.24 CN(CCCC#N)c1ccccc1 3a7cc8090216dd7c3bcb6b3538bf72e8 [0,0,0,0,1,0|2,0,0]=3 1610 B13R1.24 CN(CCCC#N)c1ccccn1 b55533c11e5db93c0af8be594e38266d [0,0,0,0,1,0|3,0,0]=4 1611 B13R1.24 CN(CCCC#N)c1cccnc1 dd41f18c3b8d91e9aaaaef26f5f31192 [0,0,0,0,1,0|3,0,0]=4 1612 B13R1.24 CN(CCCC#N)c1ccncc1 3ac74a3b300ca2b06eb2b6e5da6bc44a [0,0,0,0,1,0|3,0,0]=4 1613 B13R1.24 CN(CCNC#N)c1ccccc1 b96e335c7c600128d46b6983c2adec80 [0,0,0,0,1,0|3,0,0]=4 1614 B13R1.24 COCCNC(C)c1ccccc1 c2cdf9a7d68c2b14dbc1f47818328785 [0,0,0,0,1,0|2,0,0]=3 1615 B13R1.24 COCCNC(C)c1ccccn1 574a24ce8dde27b25d774210684eeded [0,0,0,0,1,0|3,0,0]=4 1616 B13R1.24 COCCNC(C)c1cccnc1 93536eea5c4d2ab0ae96cc1902af6d39 [0,0,0,0,1,0|3,0,0]=4 1617 B13R1.24 COCCNC(C)c1ccncc1 3587d217b4c6bc1a6c98e185fdb7bcdf [0,0,0,0,1,0|3,0,0]=4 1618 B13R1.24 COCCN[C@@H](C)c1ccccc1 3d6e84133668a2c88f91040a51faba59 [0,0,0,0,1,0|2,0,0]=3 1619 B13R1.24 COCCN[C@@H](C)c1ccccn1 ee7130bec814657c9b8074162c57457f [0,0,0,0,1,0|3,0,0]=4 1620 B13R1.24 COCCN[C@@H](C)c1cccnc1 1da1dd26f9961dd3891f075817c8caae [0,0,0,0,1,0|3,0,0]=4 1621 B13R1.24 COCCN[C@@H](C)c1ccncc1 f21a3eba51b92386295bbb47620eef2d [0,0,0,0,1,0|3,0,0]=4 1622 B13R1.24 COCCN[C@H](C)c1ccccc1 070b4ca2a1a16c22225dae328c415de7 [0,0,0,0,1,0|2,0,0]=3 1623 B13R1.24 COCCN[C@H](C)c1ccccn1 f499221d9894d80316d7cbfabf7c68dc [0,0,0,0,1,0|3,0,0]=4 1624 B13R1.24 COCCN[C@H](C)c1cccnc1 8cf5b21bf9f9e70ef76bd8ccb511d2be [0,0,0,0,1,0|3,0,0]=4 1625 B13R1.24 COCCN[C@H](C)c1ccncc1 09232e5eae5979c5cb98ba781b7ce666 [0,0,0,0,1,0|3,0,0]=4 1626 B13R1.24 COCCOC(C)c1ccccc1 4eda4eb3d7f458c7b1efd0302710d954 [0,0,0,0,1,0|3,0,0]=4 1627 B13R1.24 COCCO[C@@H](C)c1ccccc1 c4708c03f597f180562f17c23f61a0f0 [0,0,0,0,1,0|3,0,0]=4 1628 B13R1.24 COCCO[C@H](C)c1ccccc1 dc187aa1e60f01c074c0643788e8e1ed [0,0,0,0,1,0|3,0,0]=4 1629 B13R1.24 CSCCNC(C)c1ccccc1 cb2710bbb1863e422cacbcdfa29043b3 [0,0,0,0,1,0|2,0,0]=3 1630 B13R1.24 CSCCNC(C)c1ccccn1 224e2c4d238573b052bbd9cc367f49cc [0,0,0,0,1,0|3,0,0]=4 1631 B13R1.24 CSCCNC(C)c1cccnc1 bb81b5454dc0ecb3208dfc5419cb1b68 [0,0,0,0,1,0|3,0,0]=4 1632 B13R1.24 CSCCNC(C)c1ccncc1 b656dc2058698797cf9ae8e27ad01607 [0,0,0,0,1,0|3,0,0]=4 1633 B13R1.24 CSCCN[C@@H](C)c1ccccc1 e1d4d63ca98297e3a741380b222379e5 [0,0,0,0,1,0|2,0,0]=3 1634 B13R1.24 CSCCN[C@@H](C)c1ccccn1 2c8afee548643b1924ccabdc1cb3be06 [0,0,0,0,1,0|3,0,0]=4 1635 B13R1.24 CSCCN[C@@H](C)c1cccnc1 c312174a04ecfedca20cd6cce402209c [0,0,0,0,1,0|3,0,0]=4 1636 B13R1.24 CSCCN[C@@H](C)c1ccncc1 e1583a9972eac9729c78f70dbad09732 [0,0,0,0,1,0|3,0,0]=4 1637 B13R1.24 CSCCN[C@H](C)c1ccccc1 e79e5bfe51901f7fde96679e7cad33c7 [0,0,0,0,1,0|2,0,0]=3 1638 B13R1.24 CSCCN[C@H](C)c1ccccn1 6d9241e0dcccd30e84980d526480d77f [0,0,0,0,1,0|3,0,0]=4 1639 B13R1.24 CSCCN[C@H](C)c1cccnc1 7dedf8451f6d9e09beca4e2a1fafedfc [0,0,0,0,1,0|3,0,0]=4 1640 B13R1.24 CSCCN[C@H](C)c1ccncc1 3253b230d6bf99b8559f0ae604fb4c49 [0,0,0,0,1,0|3,0,0]=4 1641 B13R1.24 CSCCOC(C)c1ccccc1 6e6c64ccd8ec19b44304bbd6ee665b03 [0,0,0,0,1,0|3,0,0]=4 1642 B13R1.24 CSCCO[C@@H](C)c1ccccc1 e19c25ae9a5b36339342948c99b13ae5 [0,0,0,0,1,0|3,0,0]=4 1643 B13R1.24 CSCCO[C@H](C)c1ccccc1 e2b65e08fdc1fe59baafd7046d39c4fe [0,0,0,0,1,0|3,0,0]=4 1644 B13R1.24 C[C@@H](CNCC#N)c1ccccc1 6811a2d2000108e75d315c584431525e [0,0,0,0,1,0|2,0,0]=3 1645 B13R1.24 C[C@@H](COCC#N)c1ccccc1 4fe68dda08473b880862c8fa3b87dab9 [0,0,0,0,1,0|2,0,0]=3 1646 B13R1.24 C[C@@H](NC/C=C/Cl)c1ccccc1 c47bb873ae8df26ac6ffd620b51a02f4 [0,0,0,0,1,0|1,0,2]=4 1647 B13R1.24 C[C@@H](NC/C=C\Cl)c1ccccc1 08714487c34d24dbfbc9e1e17c6d644f [0,0,0,0,1,0|1,0,2]=4 1648 B13R1.24 C[C@@H](NC/C=C\O)c1ccccc1 e256ee0a86247bb2237b193b462440c0 [0,0,0,0,1,0|1,0,2]=4 1649 B13R1.24 C[C@@H](NCCC#N)c1ccccc1 e99e4614673b8d9dde95a82d80e6a78a [0,0,0,0,1,0|0,0,0]=1 1650 B13R1.24 C[C@@H](NCCC#N)c1ccccn1 c28b1d8e4707f1ace11b9082e1fb1dd9 [0,0,0,0,1,0|1,0,0]=2 1651 B13R1.24 C[C@@H](NCCC#N)c1cccnc1 dc406dbe0c20b4d29afdc2daed4bb22b [0,0,0,0,1,0|1,0,0]=2 1652 B13R1.24 C[C@@H](NCCC#N)c1ccncc1 d87922e1903c81c796a12b3b328328d8 [0,0,0,0,1,0|1,0,0]=2 1653 B13R1.24 C[C@@H](NCCC#N)c1cncnc1 f916bcf529a35d3d2e2eb5403c1ace30 [0,0,0,0,1,0|2,0,0]=3 1654 B13R1.24 C[C@@H](NCCC=O)c1ccccc1 5526cd201567db70660121dd38472204 [0,0,0,0,1,0|1,0,1]=3 1655 B13R1.24 C[C@@H](NCCC=O)c1ccccn1 159a899fa11e268e235e3b427ba81df8 [0,0,0,0,1,0|2,0,1]=4 1656 B13R1.24 C[C@@H](NCCC=O)c1cccnc1 de564ef6c6b2b2596d7e7fd3d7787cce [0,0,0,0,1,0|2,0,1]=4 1657 B13R1.24 C[C@@H](NCCC=O)c1ccncc1 77811b206b531b988a57edce633b445b [0,0,0,0,1,0|2,0,1]=4 1658 B13R1.24 C[C@@H](NCCCF)c1ccccc1 bfa543be3f68166fe2f57a5689bb07e6 [0,0,0,0,1,0|1,0,1]=3 1659 B13R1.24 C[C@@H](NCCCF)c1ccccn1 f214bee7fe48feb7f1032b442233c2bf [0,0,0,0,1,0|2,0,1]=4 1660 B13R1.24 C[C@@H](NCCCF)c1cccnc1 caa296719646e91180beed788a7864f4 [0,0,0,0,1,0|2,0,1]=4 1661 B13R1.24 C[C@@H](NCCCF)c1ccncc1 e9878c4f95e0beea32b5146477c1310c [0,0,0,0,1,0|2,0,1]=4 1662 B13R1.24 C[C@@H](NCCCO)c1ccccn1 6d2e38a0f70c8089959e42d127994c72 [0,0,0,0,1,0|2,0,1]=4 1663 B13R1.24 C[C@@H](NCCCO)c1cccnc1 53636191523341ada402f8345f5b3627 [0,0,0,0,1,0|2,0,1]=4 1664 B13R1.24 C[C@@H](NCCCO)c1ccncc1 240c685ccb686ba5c5a8ec8b399be32e [0,0,0,0,1,0|2,0,1]=4 1665 B13R1.24 C[C@@H](NCCCS)c1ccccc1 0116293cdbc170d5d0b056ff05b140c5 [0,0,0,0,1,0|1,0,1]=3 1666 B13R1.24 C[C@@H](NCCCS)c1ccccn1 4cc5e438bc9470eab63476dab3be0627 [0,0,0,0,1,0|2,0,1]=4 1667 B13R1.24 C[C@@H](NCCCS)c1cccnc1 77f52d81449269c021b5e64f99c99af4 [0,0,0,0,1,0|2,0,1]=4 1668 B13R1.24 C[C@@H](NCCCS)c1ccncc1 97fcdf34e37b08b65f69cbfe85f6a819 [0,0,0,0,1,0|2,0,1]=4 1669 B13R1.24 C[C@@H](NCSC#N)c1ccncc1 bdb1eabf41dca18ab6909919742bd85a [0,0,0,0,1,0|2,0,0]=3 1670 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 216c04c4bba48c5f65a4de132eb0fb2c [0,0,0,0,1,0|1,0,0]=2 1671 B13R1.24 C[C@@H](OCCC#N)c1ccccn1 260cf308969eda7252b6518db007bf5b [0,0,0,0,1,0|2,0,0]=3 1672 B13R1.24 C[C@@H](OCCC#N)c1cccnc1 cffadc803f546d1c0f3e8ac6d5149c9b [0,0,0,0,1,0|2,0,0]=3 1673 B13R1.24 C[C@@H](OCCC#N)c1cccnn1 7817efd240f2db30c97a99ed30e9953e [0,0,0,0,1,0|3,0,0]=4 1674 B13R1.24 C[C@@H](OCCC#N)c1ccncc1 9705fe4a3de401609befda0217b2704d [0,0,0,0,1,0|2,0,0]=3 1675 B13R1.24 C[C@@H](OCCC#N)c1cnccn1 8de6ba1afc4f4885a4b2740a5710a808 [0,0,0,0,1,0|3,0,0]=4 1676 B13R1.24 C[C@@H](OCCC#N)c1ncccn1 07a8208a06d7a95c0b9862676a0ddfa1 [0,0,0,0,1,0|3,0,0]=4 1677 B13R1.24 C[C@@H](OCCC=O)c1ccccc1 628d5109a4f063acb2a5ee9afc7283f3 [0,0,0,0,1,0|2,0,1]=4 1678 B13R1.24 C[C@@H](OCCCF)c1ccccc1 3b543601bb26cccb69be38b500af6085 [0,0,0,0,1,0|2,0,1]=4 1679 B13R1.24 C[C@@H](OCCCS)c1ccccc1 ae96e9b0fd3eff44194d70b9add97b2f [0,0,0,0,1,0|2,0,1]=4 1680 B13R1.24 C[C@@H](OCSC#N)c1ccccc1 bf2e9d1dc3e00121f9fffe015a9fd7de [0,0,0,0,1,0|2,0,0]=3 1681 B13R1.24 C[C@@H](OCSC#N)c1ccccn1 eddd72dac6db945e659a4d4a2aa6fb43 [0,0,0,0,1,0|3,0,0]=4 1682 B13R1.24 C[C@@H](OCSC#N)c1ccncc1 ed9e760df7156fabd5b963d4eb6831ff [0,0,0,0,1,0|3,0,0]=4 1683 B13R1.24 C[C@H](CNCC#N)c1ccccc1 94ba4c5054eed70f6f9a3b1e1f55ab6e [0,0,0,0,1,0|2,0,0]=3 1684 B13R1.24 C[C@H](COCC#N)c1ccccc1 fbf6283a533f40bb29c1976879e661e2 [0,0,0,0,1,0|2,0,0]=3 1685 B13R1.24 C[C@H](NC/C=C/Cl)c1ccccc1 2b393c2b7f16613faf5545a04205f171 [0,0,0,0,1,0|1,0,2]=4 1686 B13R1.24 C[C@H](NC/C=C\Cl)c1ccccc1 bfe954e43b82da6dcdafa480c81884b8 [0,0,0,0,1,0|1,0,2]=4 1687 B13R1.24 C[C@H](NC/C=C\O)c1ccccc1 b55c5bee9d6008e0ded781641233d335 [0,0,0,0,1,0|1,0,2]=4 1688 B13R1.24 C[C@H](NCCC#N)c1ccccc1 45640d3cb821f2dccf7a3098ea30648f [0,0,0,0,1,0|0,0,0]=1 1689 B13R1.24 C[C@H](NCCC#N)c1ccccn1 b2b31a9655647c6d642a1124840e0d30 [0,0,0,0,1,0|1,0,0]=2 1690 B13R1.24 C[C@H](NCCC#N)c1cccnc1 5684a59fe3929978d8627ea873b91b86 [0,0,0,0,1,0|1,0,0]=2 1691 B13R1.24 C[C@H](NCCC#N)c1ccncc1 db84732d3eda2bfe6de2cd29b1683931 [0,0,0,0,1,0|1,0,0]=2 1692 B13R1.24 C[C@H](NCCC#N)c1cncnc1 d0961d2d8532020725cd120563eb6bec [0,0,0,0,1,0|2,0,0]=3 1693 B13R1.24 C[C@H](NCCC=O)c1ccccc1 5902d31ad0388e4a50ed8b9c8eae7475 [0,0,0,0,1,0|1,0,1]=3 1694 B13R1.24 C[C@H](NCCC=O)c1ccccn1 3b34349c425bf94fc3334a843a4b961e [0,0,0,0,1,0|2,0,1]=4 1695 B13R1.24 C[C@H](NCCC=O)c1cccnc1 334d6bdd0f7b63d37de540ddc037e273 [0,0,0,0,1,0|2,0,1]=4 1696 B13R1.24 C[C@H](NCCC=O)c1ccncc1 725f3c07e8315a6f18f551e56a76b19b [0,0,0,0,1,0|2,0,1]=4 1697 B13R1.24 C[C@H](NCCCF)c1ccccc1 2c3c38f14ff8256234e4e10570b90490 [0,0,0,0,1,0|1,0,1]=3 1698 B13R1.24 C[C@H](NCCCF)c1ccccn1 91eb30146d2ab73a27836b107a6d4dee [0,0,0,0,1,0|2,0,1]=4 1699 B13R1.24 C[C@H](NCCCF)c1cccnc1 8b8ded1aba183e16024e99b2c9be4270 [0,0,0,0,1,0|2,0,1]=4 1700 B13R1.24 C[C@H](NCCCF)c1ccncc1 b320f08b4e307a6059b6d34c9ce85568 [0,0,0,0,1,0|2,0,1]=4 1701 B13R1.24 C[C@H](NCCCO)c1ccccn1 436cf65ef0b6ed37b9f230b305194318 [0,0,0,0,1,0|2,0,1]=4 1702 B13R1.24 C[C@H](NCCCO)c1cccnc1 1603cb78a2ac8acec6a85d03e5efbe8f [0,0,0,0,1,0|2,0,1]=4 1703 B13R1.24 C[C@H](NCCCO)c1ccncc1 3a1ce6236752626b5dc9518ae625b5ce [0,0,0,0,1,0|2,0,1]=4 1704 B13R1.24 C[C@H](NCCCS)c1ccccc1 b2a62d10fe03e141185275af72c2be8f [0,0,0,0,1,0|1,0,1]=3 1705 B13R1.24 C[C@H](NCCCS)c1ccccn1 54a18e461c1b8401c601d45b0bbac2f4 [0,0,0,0,1,0|2,0,1]=4 1706 B13R1.24 C[C@H](NCCCS)c1cccnc1 1452448d415fba2c0cb004ed9f0dd641 [0,0,0,0,1,0|2,0,1]=4 1707 B13R1.24 C[C@H](NCCCS)c1ccncc1 fbe10ee99f1dae6a618e6bd643fa65c4 [0,0,0,0,1,0|2,0,1]=4 1708 B13R1.24 C[C@H](NCSC#N)c1ccncc1 333835b0ce7f7e96b843528c7d6848d1 [0,0,0,0,1,0|2,0,0]=3 1709 B13R1.24 C[C@H](OCCC#N)c1ccccc1 ec34857642511a0e2c0bb0d429e22900 [0,0,0,0,1,0|1,0,0]=2 1710 B13R1.24 C[C@H](OCCC#N)c1ccccn1 c506061870840db7b5bace231015b206 [0,0,0,0,1,0|2,0,0]=3 1711 B13R1.24 C[C@H](OCCC#N)c1cccnc1 99f0e14489b50531f4fc33e2ea251eb2 [0,0,0,0,1,0|2,0,0]=3 1712 B13R1.24 C[C@H](OCCC#N)c1ccncc1 4a331ff505a19e5a97da93710ced8e00 [0,0,0,0,1,0|2,0,0]=3 1713 B13R1.24 C[C@H](OCCC#N)c1ccncn1 dca9d57da4c1bd8bdc9dc25e1a97f949 [0,0,0,0,1,0|3,0,0]=4 1714 B13R1.24 C[C@H](OCCC#N)c1cnccn1 197d4373f212f69a9d090cb31b6cd334 [0,0,0,0,1,0|3,0,0]=4 1715 B13R1.24 C[C@H](OCCC#N)c1ncccn1 a1844d63267ac576685d1e8af0e10605 [0,0,0,0,1,0|3,0,0]=4 1716 B13R1.24 C[C@H](OCCC=O)c1ccccc1 83a2fd5bb1e77fe3af18df482e7c4725 [0,0,0,0,1,0|2,0,1]=4 1717 B13R1.24 C[C@H](OCCCF)c1ccccc1 59e3eb993feab5d5c53b054ac83e6316 [0,0,0,0,1,0|2,0,1]=4 1718 B13R1.24 C[C@H](OCCCS)c1ccccc1 d75904c4401b78653bc0213f295ecc4d [0,0,0,0,1,0|2,0,1]=4 1719 B13R1.24 C[C@H](OCSC#N)c1ccccc1 569b863fbb5dc1671b72bf99cd60e732 [0,0,0,0,1,0|2,0,0]=3 1720 B13R1.24 C[C@H](OCSC#N)c1ccccn1 61a5edcb9ea4014f9bb1be92711c7c3a [0,0,0,0,1,0|3,0,0]=4 1721 B13R1.24 C[C@H](OCSC#N)c1ccncc1 7267a9a2806c5cac5f87a5c3a8fa3eba [0,0,0,0,1,0|3,0,0]=4 1722 B13R1.24 N#CCCNC(=O)c1ccccc1 25b61ff28bc3c038e199d15b9aab7acf [0,0,0,0,1,0|1,0,1]=3 1723 B13R1.24 N#CCCNC(=O)c1ccccn1 5b040c590a5b100434caf41dc6133bf8 [0,0,0,0,1,0|2,0,1]=4 1724 B13R1.24 N#CCCNC(=O)c1cccnc1 d4951c63a14879410e432220790e4c84 [0,0,0,0,1,0|2,0,1]=4 1725 B13R1.24 N#CCCNC(=O)c1ccncc1 6bbd70308354ea7881d538fdb5a161c1 [0,0,0,0,1,0|2,0,1]=4 1726 B13R1.24 N#CCNCC(F)c1ccccc1 8158dd3432b867c4fddfcb8d873ee7bf [0,0,0,0,1,0|3,0,0]=4 1727 B13R1.24 N#CCNCC(O)c1ccccc1 db17acf792398d601d32f16c6f939c56 [0,0,0,0,1,0|3,0,0]=4 1728 B13R1.24 N#CCNC[C@@H](O)c1ccccc1 f51380211917b5780125ad007bc10884 [0,0,0,0,1,0|3,0,0]=4 1729 B13R1.24 N#CCNC[C@H](O)c1ccccc1 d5f7f6e77d0e65ae9057ea5f368ec8bf [0,0,0,0,1,0|3,0,0]=4 1730 B13R1.24 N#CCOCC(F)c1ccccc1 a762cec387288bcbbdd8b42663b8e345 [0,0,0,0,1,0|3,0,0]=4 1731 B13R1.24 N#CNCCC(O)c1ccccc1 d01b805f73fc50d3d524ab90ad937afe [0,0,0,0,1,0|3,0,0]=4 1732 B13R1.24 N#CNCC[C@@H](O)c1ccccc1 24c920e02bc0246e0884b95a3f343174 [0,0,0,0,1,0|3,0,0]=4 1733 B13R1.24 N#CNCC[C@H](O)c1ccccc1 d54b648c3b9b0fa19409265de334cb96 [0,0,0,0,1,0|3,0,0]=4 1734 B13R1.156 C#CCCNC(C)Cc1c[nH]cn1 fd3fe6357f85736aacd28869c80a0b07 [0,0,0,0,1,0|3,0,0]=4 1735 B13R1.156 C#CCCNC(C)Cc1ccc[nH]1 5f420e0a98ce15943013ef4da687dec2 [0,0,0,0,1,0|2,0,0]=3 1736 B13R1.156 C#CCCNC(C)Cc1ccco1 647cd94dafe70c03fbfcb9763221f5bb [0,0,0,0,1,0|2,0,0]=3 1737 B13R1.156 C#CCCNC(C)Cc1ccsc1 c09b46c0992a20caad32169ff705b2f9 [0,0,0,0,1,0|2,0,0]=3 1738 B13R1.156 C#CCCNC(C)Cn1cccn1 ff6e5b2902011399b2c7c167fe4ddd25 [0,0,0,0,1,0|3,0,0]=4 1739 B13R1.156 C#CCCN[C@@H](C)Cc1c[nH]cn1 aa88fa16f2d3f878d9fc3809514f82ae [0,0,0,0,1,0|3,0,0]=4 1740 B13R1.156 C#CCCN[C@H](C)Cc1c[nH]cn1 fe7230fa69a859f7a92e0d30b3b853f0 [0,0,0,0,1,0|3,0,0]=4 1741 B13R1.156 C#CCCOC(C)Cc1ccco1 b7b2a6e764021e04e3b7eab706456fd1 [0,0,0,0,1,0|3,0,0]=4 1742 B13R1.156 C#CCCOC(C)Cc1ccsc1 8b262555b37c76bc16caa7ed484a7694 [0,0,0,0,1,0|3,0,0]=4 1743 B13R1.156 C=CCCNC(C)Cc1ccc[nH]1 9bb256eba1bf6b10544cc4646afed6b0 [0,0,0,0,1,0|2,0,1]=4 1744 B13R1.156 C=CCCNC(C)Cc1ccco1 07f56adce91987a913053dd8ade703c6 [0,0,0,0,1,0|2,0,1]=4 1745 B13R1.156 C=CCCNC(C)Cc1ccsc1 2dc795a10e93aa76ee5d67a560f0cca0 [0,0,0,0,1,0|2,0,1]=4 1746 B13R1.156 CC(Cc1c[nH]cn1)NCCC#N 5518e9db7a86889688226ae785b56daf [0,0,0,0,1,0|2,0,0]=3 1747 B13R1.156 CC(Cc1c[nH]cn1)NCSC#N 67fe5fe2bbefbb4cb71a9717dce1645b [0,0,0,0,1,0|3,0,0]=4 1748 B13R1.156 CC(Cc1ccc[nH]1)NCCC#N 29d92b0a211dbe9c8fd6fd52cc1fc88f [0,0,0,0,1,0|1,0,0]=2 1749 B13R1.156 CC(Cc1ccc[nH]1)NCCC=O 031ea5a9a03653af1d14fb774dd2559d [0,0,0,0,1,0|2,0,1]=4 1750 B13R1.156 CC(Cc1ccc[nH]1)NCCCF 65f4de4f140ec3eee2a5aa787a0abe2b [0,0,0,0,1,0|2,0,1]=4 1751 B13R1.156 CC(Cc1ccc[nH]1)NCCCO 75733cd9dd4702f0de8e26a4735f796b [0,0,0,0,1,0|2,0,1]=4 1752 B13R1.156 CC(Cc1ccc[nH]1)NCCCS 49b565ef025c9ee5aa7dc42a4de836f9 [0,0,0,0,1,0|2,0,1]=4 1753 B13R1.156 CC(Cc1ccc[nH]1)NCSC#N 201111f672e09bc7b1951aad0d6199ab [0,0,0,0,1,0|2,0,0]=3 1754 B13R1.156 CC(Cc1ccco1)NCCC#N 1a3d4193cc766775bf7b5ed1f5265aca [0,0,0,0,1,0|1,0,0]=2 1755 B13R1.156 CC(Cc1ccco1)NCCC=O 58523e4d8ee0a7a810551f23b1057beb [0,0,0,0,1,0|2,0,1]=4 1756 B13R1.156 CC(Cc1ccco1)NCCCF 1a3c6031f70acd44c3cf9a6f36903141 [0,0,0,0,1,0|2,0,1]=4 1757 B13R1.156 CC(Cc1ccco1)NCCCO 87a933bc1b9dca5ce1bc9da3b88110f3 [0,0,0,0,1,0|2,0,1]=4 1758 B13R1.156 CC(Cc1ccco1)NCCCS 28da247054a6cb90d4beb171888ca194 [0,0,0,0,1,0|2,0,1]=4 1759 B13R1.156 CC(Cc1ccco1)OCCC#N cd1b4fc921966abb5dc38a9325afa78a [0,0,0,0,1,0|2,0,0]=3 1760 B13R1.156 CC(Cc1ccsc1)NCCC#N 70911741d607d52a141fb1e333a07c4a [0,0,0,0,1,0|1,0,0]=2 1761 B13R1.156 CC(Cc1ccsc1)NCCC=O d59944e7defc1226c09daabd18ae2a59 [0,0,0,0,1,0|2,0,1]=4 1762 B13R1.156 CC(Cc1ccsc1)NCCCF 9d4318f67e8c60d08d0585d65c1d35db [0,0,0,0,1,0|2,0,1]=4 1763 B13R1.156 CC(Cc1ccsc1)NCCCO 50f02503d719d85cf1643ea4253d7430 [0,0,0,0,1,0|2,0,1]=4 1764 B13R1.156 CC(Cc1ccsc1)NCCCS c1606012cadb46effb6831c2b6b2399f [0,0,0,0,1,0|2,0,1]=4 1765 B13R1.156 CC(Cc1ccsc1)NCSC#N 23306cd72bc84d6e2d651277182ff9b4 [0,0,0,0,1,0|2,0,0]=3 1766 B13R1.156 CC(Cc1ccsc1)OCCC#N b5d662dc2a6b41e391680ea4dace2965 [0,0,0,0,1,0|2,0,0]=3 1767 B13R1.156 CC(Cc1ccsc1)OCSC#N d436c0c9f3cd23af9500927d83c1aa13 [0,0,0,0,1,0|3,0,0]=4 1768 B13R1.156 CC(Cn1cccn1)NCCC#N b156abf9f82d9547e7601a3fd120c666 [0,0,0,0,1,0|2,0,0]=3 1769 B13R1.156 CC(Cn1cccn1)NCSC#N d4adfa77814059d431d7f0eb056627a9 [0,0,0,0,1,0|3,0,0]=4 1770 B13R1.156 CC(Cn1cncn1)NCCC#N 4dde26ec8e403f3d7418486c8fe78862 [0,0,0,0,1,0|3,0,0]=4 1771 B13R1.156 CCCCNC(C)Cc1ccc[nH]1 5bd266409fa543a73749966de827caf0 [0,0,0,0,1,0|2,0,1]=4 1772 B13R1.156 CCCCNC(C)Cc1ccco1 6e87dd0a50e292a362e44de560f08861 [0,0,0,0,1,0|2,0,1]=4 1773 B13R1.156 CCCCNC(C)Cc1ccsc1 44d37ce7747874cac7f10aac58c5436b [0,0,0,0,1,0|2,0,1]=4 1774 B13R1.156 CN(CCCC#N)Cc1ccc[nH]1 14e3457fbf6f117b707dd99f6d9acde2 [0,0,0,0,1,0|3,0,0]=4 1775 B13R1.156 CN(CCCC#N)Cc1ccco1 0476931ae23f7fc801d0a783dd966d25 [0,0,0,0,1,0|3,0,0]=4 1776 B13R1.156 CN(CCCC#N)Cc1cccs1 ca3a8273f24e649d90007c4700be528f [0,0,0,0,1,0|3,0,0]=4 1777 B13R1.156 CN(CCCC#N)Cc1ccoc1 20f6af0c7f4872d54e61df3c5509a374 [0,0,0,0,1,0|3,0,0]=4 1778 B13R1.156 CN(CCCC#N)Cc1ccsc1 4f5934ead3e707e753c7ea6ae26758cd [0,0,0,0,1,0|3,0,0]=4 1779 B13R1.156 COCCNC(C)Cc1ccc[nH]1 ae6daec60485b3af74cda1aa36d37206 [0,0,0,0,1,0|3,0,0]=4 1780 B13R1.156 COCCNC(C)Cc1ccco1 5062c51430b709d7dc1cf4c74c059405 [0,0,0,0,1,0|3,0,0]=4 1781 B13R1.156 COCCNC(C)Cc1ccsc1 55b7eda83031dbe5cb833d82ebd3ef6d [0,0,0,0,1,0|3,0,0]=4 1782 B13R1.156 CSCCNC(C)Cc1ccc[nH]1 30b9608f8920d09540ea3dab2ac0c6bb [0,0,0,0,1,0|3,0,0]=4 1783 B13R1.156 CSCCNC(C)Cc1ccco1 f519bc169512213b9e19f4e6b4a0060c [0,0,0,0,1,0|3,0,0]=4 1784 B13R1.156 CSCCNC(C)Cc1ccsc1 9f1a6d19ceddccae6139a68bf0b4e9dc [0,0,0,0,1,0|3,0,0]=4 1785 B13R1.156 C[C@@H](Cc1c[nH]cn1)NCCC#N 4f8a5a5a600fee55234a7c951db757e5 [0,0,0,0,1,0|2,0,0]=3 1786 B13R1.156 C[C@@H](Cc1c[nH]cn1)NCSC#N bfc3ae31306ac4ba0b5c71f0a8dfc4e1 [0,0,0,0,1,0|3,0,0]=4 1787 B13R1.156 C[C@H](Cc1c[nH]cn1)NCCC#N 8ee1441f26a3ba875b215a3a7875d002 [0,0,0,0,1,0|2,0,0]=3 1788 B13R1.156 C[C@H](Cc1c[nH]cn1)NCSC#N 0bc8fb88fcbc5c27a01a2c59a0a87335 [0,0,0,0,1,0|3,0,0]=4 1789 B13R1.156 N#CCCNC(=O)Cc1ccco1 799cb80ecd8c9750a4b0fbe553248549 [0,0,0,0,1,0|2,0,1]=4 1790 B13R1.156 N#CCCNC(=O)Cc1cccs1 8a515283cb0b95e184d19a4519378876 [0,0,0,0,1,0|2,0,1]=4 1791 B13R1.156 N#CCCNC(=O)Cc1ccoc1 9e94546834bcce696df6c78965a2ffd6 [0,0,0,0,1,0|2,0,1]=4 1792 B13R1.156 N#CCCNC(=O)Cc1ccsc1 8f9f70bb9588da874a20acb94c2ffc1f [0,0,0,0,1,0|2,0,1]=4 1793 B13R1.156 N#CCCNC(=O)Cn1cccc1 8d7299c91cf9f910ae7304c2a5471570 [0,0,0,0,1,0|2,0,1]=4 1794 B15R1.78 C#CCCCN(C)CCc1ccccc1 b0235c16b9b7c50e40884a5872336bdc [0,0,0,0,0,1|3,0,0]=4 1795 B15R1.78 C#CCCNC(=O)CCc1ccccc1 5979c73babacf6e8d9ef67e1f2619107 [0,0,0,0,0,1|2,0,1]=4 1796 B15R1.78 C#CCCNC(=O)COc1ccccc1 f497bb6668a7926ecb946863248290ab [0,0,0,0,0,1|2,0,1]=4 1797 B15R1.78 C#CCCNC(=O)CSc1ccccc1 59c715cea997fdf50cc8981e2f8423ff [0,0,0,0,0,1|2,0,1]=4 1798 B15R1.78 C#CCCNC(=O)NCc1ccccc1 ddc4fece7bb0dda3034d2353a4d5a363 [0,0,0,0,0,1|2,0,1]=4 1799 B15R1.78 C#CCCNC(=S)NCc1ccccc1 c02be5bd41484f737709d46e6864c984 [0,0,0,0,0,1|2,0,1]=4 1800 B15R1.78 C#CCCNC(C)CCc1ccccc1 0b2be2d0f9b10ab0a4db82fa19bf182f [0,0,0,0,0,1|1,0,0]=2 1801 B15R1.78 C#CCCNC(C)COc1ccccc1 536ad59b83f8e6b49f51ad2f61c6acc2 [0,0,0,0,0,1|1,0,0]=2 1802 B15R1.78 C#CCCN[C@@H](C)CCc1ccccc1 0db1bb857ce34909353f698001b4475b [0,0,0,0,0,1|1,0,0]=2 1803 B15R1.78 C#CCCN[C@H](C)CCc1ccccc1 e720e06c6387d3aa2546d97fc10f688d [0,0,0,0,0,1|1,0,0]=2 1804 B15R1.78 C#CCCOC(C)CCc1ccccc1 46dd2914c66fdb2988c0290db24d48ee [0,0,0,0,0,1|2,0,0]=3 1805 B15R1.78 C#CCCOC(C)CCc1ccncc1 40f9a6a52e91c6e7fe8b19323340d962 [0,0,0,0,0,1|3,0,0]=4 1806 B15R1.78 C#CCCOC(C)COc1ccccc1 6af96d1ad8d7289c62b73b00e0a497e1 [0,0,0,0,0,1|2,0,0]=3 1807 B15R1.78 C#CCCO[C@@H](C)/C=C/c1ccccc1 4c5d18b4d1fab3cc1bb35f9700ad561b [0,0,0,0,0,1|2,0,1]=4 1808 B15R1.78 C#CCCO[C@@H](C)CCc1ccccc1 ef5608c6828fbb91ff6a2d96e6dfbc8b [0,0,0,0,0,1|2,0,0]=3 1809 B15R1.78 C#CCCO[C@H](C)/C=C/c1ccccc1 f0d381a82692af9850e28fd58e0bdd5f [0,0,0,0,0,1|2,0,1]=4 1810 B15R1.78 C#CCCO[C@H](C)CCc1ccccc1 64a0715b8f668b353481368ba9c6535e [0,0,0,0,0,1|2,0,0]=3 1811 B15R1.78 C#CCOCC(C)CCc1ccccc1 7becadca6e17f3160c08a8db9376f68e [0,0,0,0,0,1|3,0,0]=4 1812 B15R1.78 C#CCOCC(C)OCc1ccccc1 d62e9e53b1202200af2fa406e074edfa [0,0,0,0,0,1|3,0,0]=4 1813 B15R1.78 C#CCOC[C@@H](C)OCc1ccccc1 8ab69d1e97177eca53353d081d496cac [0,0,0,0,0,1|3,0,0]=4 1814 B15R1.78 C#CCOC[C@H](C)OCc1ccccc1 1bf85a6e89524ed0fec0362a7bba0c14 [0,0,0,0,0,1|3,0,0]=4 1815 B15R1.78 C/C=C/CNC(C)CCc1ccccc1 e9bdd72d345793c3b469525afb56a3aa [0,0,0,0,0,1|1,0,2]=4 1816 B15R1.78 C/C=C/CNC(C)COc1ccccc1 64ce846d6d5e498801a6fd8aac8f1cca [0,0,0,0,0,1|1,0,2]=4 1817 B15R1.78 C/C=C/CN[C@@H](C)CCc1ccccc1 5b51be8f4aa88f99e02e795cd8b8ee3d [0,0,0,0,0,1|1,0,2]=4 1818 B15R1.78 C/C=C/CN[C@H](C)CCc1ccccc1 02ee908e3ee0f1a8cfd4806be4b1f95a [0,0,0,0,0,1|1,0,2]=4 1819 B15R1.78 C/C=C\CNC(C)CCc1ccccc1 49be26d11f89920c3a43da0da5fde4e0 [0,0,0,0,0,1|1,0,2]=4 1820 B15R1.78 C/C=C\CNC(C)COc1ccccc1 f33c482345f17e80f9193cd9eeb52a47 [0,0,0,0,0,1|1,0,2]=4 1821 B15R1.78 C/C=C\CN[C@@H](C)CCc1ccccc1 17283969f28d87c64e767fe59e1fe365 [0,0,0,0,0,1|1,0,2]=4 1822 B15R1.78 C/C=C\CN[C@H](C)CCc1ccccc1 f0a82b2f4716f9f7978d1077e106566d [0,0,0,0,0,1|1,0,2]=4 1823 B15R1.78 C=CCCC[C@H](C)OCc1ccccc1 c012fb1fd4cf1b16d7dfbea75c19f515 [0,0,0,0,0,1|2,0,1]=4 1824 B15R1.78 C=CCCNC(C)CCc1ccccc1 cf89071f37024ab8958fe52ee96d967e [0,0,0,0,0,1|1,0,1]=3 1825 B15R1.78 C=CCCNC(C)COc1ccccc1 57f7ba97f175b6c50c7efbb403229f08 [0,0,0,0,0,1|1,0,1]=3 1826 B15R1.78 C=CCCN[C@@H](C)CCc1ccccc1 ba3e627dbe3d98e79192d7ad5b60c539 [0,0,0,0,0,1|1,0,1]=3 1827 B15R1.78 C=CCCN[C@H](C)CCc1ccccc1 d0f48a89b6ec2f636f2fc7420f07eeb4 [0,0,0,0,0,1|1,0,1]=3 1828 B15R1.78 C=CCCOC(C)CCc1ccccc1 b35580898a30468c584f29333f8c063c [0,0,0,0,0,1|2,0,1]=4 1829 B15R1.78 C=CCCOC(C)COc1ccccc1 fc6ca1bc363e6449b1577e8eab0b00dc [0,0,0,0,0,1|2,0,1]=4 1830 B15R1.78 C=CCCO[C@@H](C)CCc1ccccc1 3b87e99f8f533e3dc445ff4023175081 [0,0,0,0,0,1|2,0,1]=4 1831 B15R1.78 C=CCCO[C@H](C)CCc1ccccc1 79f6c7203f19ba211b85d871f4d21f4e [0,0,0,0,0,1|2,0,1]=4 1832 B15R1.78 CC#CCNC(C)COc1ccccc1 b8697c7d26839c1b6dc594983aa6ffca [0,0,0,0,0,1|1,0,1]=3 1833 B15R1.78 CC#CCOC(C)COc1ccccc1 fbed589f31b0ea8619ca426599fc4fd5 [0,0,0,0,0,1|2,0,1]=4 1834 B15R1.78 CC(C#Cc1ccccc1)OCSC#N b3b33a7ac1972258151df4bfbefc48ff [0,0,0,0,0,1|2,0,1]=4 1835 B15R1.78 CC(CCCCO)NCc1ccccc1 9a64642feb435d099c177223d77d6eb9 [0,0,0,0,0,1|2,0,1]=4 1836 B15R1.78 CC(CCc1ccccc1)COCC#N 6b4373a4afbc42e32cf406aeb86015af [0,0,0,0,0,1|2,0,0]=3 1837 B15R1.78 CC(CCc1ccccc1)NC/C=C/Cl be5672fe576d84ff4509dcd1464e533e [0,0,0,0,0,1|1,0,2]=4 1838 B15R1.78 CC(CCc1ccccc1)NC/C=C\Cl 47de6a9f59d7926899565ed20ac19910 [0,0,0,0,0,1|1,0,2]=4 1839 B15R1.78 CC(CCc1ccccc1)NC/C=C\O 4b48b113b264b2543f88e898d620e9bb [0,0,0,0,0,1|1,0,2]=4 1840 B15R1.78 CC(CCc1ccccc1)NCCC#N b6ef56029b3d07ea4a3a695f84a5b661 [0,0,0,0,0,1|0,0,0]=1 1841 B15R1.78 CC(CCc1ccccc1)NCCC=O 68c8ebe69007759896f329c0571527a6 [0,0,0,0,0,1|1,0,1]=3 1842 B15R1.78 CC(CCc1ccccc1)NCCCCl 193f2a774bb5cacf060dfec6635083d2 [0,0,0,0,0,1|1,0,1]=3 1843 B15R1.78 CC(CCc1ccccc1)NCCCF 3c228678523b5016ba4a5c340759b935 [0,0,0,0,0,1|1,0,1]=3 1844 B15R1.78 CC(CCc1ccccc1)NCCCO 3d4321d1dfd691154240360d52c14440 [0,0,0,0,0,1|1,0,1]=3 1845 B15R1.78 CC(CCc1ccccc1)NCCCS 0b8d1eb50c076974d58f04b35aa3f0bd [0,0,0,0,0,1|1,0,1]=3 1846 B15R1.78 CC(CCc1ccccc1)NCCON 251d9dead4c60f15a8989e2c13f62923 [0,0,0,0,0,1|1,0,1]=3 1847 B15R1.78 CC(CCc1ccccc1)NCSC#N 0b310236e714bf5b2b6c3985f3a36922 [0,0,0,0,0,1|1,0,0]=2 1848 B15R1.78 CC(CCc1ccccc1)OCCC#N 3ae2c4215775a800b5b92f328b6f2b8d [0,0,0,0,0,1|1,0,0]=2 1849 B15R1.78 CC(CCc1ccccc1)OCCC=O 70be5f4ee01828ed696f5971399a212d [0,0,0,0,0,1|2,0,1]=4 1850 B15R1.78 CC(CCc1ccccc1)OCCCF 88e610168b8b20f9cb98d61b2972b065 [0,0,0,0,0,1|2,0,1]=4 1851 B15R1.78 CC(CCc1ccccc1)OCCCS 3b88ba7bc1abf3a4a8265c378b992ad2 [0,0,0,0,0,1|2,0,1]=4 1852 B15R1.78 CC(CCc1ccccc1)OCSC#N 606966d90390946357d928de5f5852aa [0,0,0,0,0,1|2,0,0]=3 1853 B15R1.78 CC(CCc1ccncc1)OCCC#N 12c51356632e233373516cecb10601b9 [0,0,0,0,0,1|2,0,0]=3 1854 B15R1.78 CC(CCc1ccncc1)OCSC#N 9bfdf0fdefeeab02f5c8fd87b9047165 [0,0,0,0,0,1|3,0,0]=4 1855 B15R1.78 CC(COCC#N)OCc1ccccc1 5fda7a7ade1650f8f874b81416f21430 [0,0,0,0,0,1|2,0,0]=3 1856 B15R1.78 CC(COc1ccccc1)NC/C=C/Cl 1777bb40a72d2d1ad12d9ca0df7c011f [0,0,0,0,0,1|1,0,2]=4 1857 B15R1.78 CC(COc1ccccc1)NC/C=C\Cl b291d70ac324b95e60dbee383f59cc73 [0,0,0,0,0,1|1,0,2]=4 1858 B15R1.78 CC(COc1ccccc1)NC/C=C\O e0436e1936dd06031ebf0813c5ef4885 [0,0,0,0,0,1|1,0,2]=4 1859 B15R1.78 CC(COc1ccccc1)NCCC#N 7d7834087446adf62e1fd34a9501f210 [0,0,0,0,0,1|0,0,0]=1 1860 B15R1.78 CC(COc1ccccc1)NCCC=O 8538941631d3e3fc12edc48d0f870223 [0,0,0,0,0,1|1,0,1]=3 1861 B15R1.78 CC(COc1ccccc1)NCCCCl a1dd08756250526f10cc4b71763502a5 [0,0,0,0,0,1|1,0,1]=3 1862 B15R1.78 CC(COc1ccccc1)NCCCF e46e36910881fa235f6d9883d455efa6 [0,0,0,0,0,1|1,0,1]=3 1863 B15R1.78 CC(COc1ccccc1)NCCCO 83350d3afdd6bc97a7bb1d95e64bac9e [0,0,0,0,0,1|1,0,1]=3 1864 B15R1.78 CC(COc1ccccc1)NCCCS de623e59c401cc37c490122af385de6b [0,0,0,0,0,1|1,0,1]=3 1865 B15R1.78 CC(COc1ccccc1)NCCON 58514f5e2174a12504c97d3c78e5031c [0,0,0,0,0,1|1,0,1]=3 1866 B15R1.78 CC(COc1ccccc1)OCC#CI 43fcc9bfc4b38fcd52c6b758b6829de9 [0,0,0,0,0,1|2,0,1]=4 1867 B15R1.78 CC(COc1ccccc1)OCCC#N 53ce07cc1932329198d8f9e21ffd1f99 [0,0,0,0,0,1|1,0,0]=2 1868 B15R1.78 CC(COc1ccccc1)OCCC=O ef509eb0ca64746908ff57436539f505 [0,0,0,0,0,1|2,0,1]=4 1869 B15R1.78 CC(COc1ccccc1)OCCCF b161b8018c2efd2e8ed3b5a40575dfc1 [0,0,0,0,0,1|2,0,1]=4 1870 B15R1.78 CC(COc1ccccc1)OCCCS b6017afe3f905c4720e05fd7eb61898c [0,0,0,0,0,1|2,0,1]=4 1871 B15R1.78 CC(COc1ccccc1)OCSC#N b2491e88048e92095d371908b1ffc058 [0,0,0,0,0,1|2,0,0]=3 1872 B15R1.78 CC=CCNC(C)CCc1ccccc1 333be09bff6c4f040039675ca6739f6e [0,0,0,0,0,1|1,0,2]=4 1873 B15R1.78 CC=CCNC(C)COc1ccccc1 8defd8af4d0a25c6a2219f9357528eb0 [0,0,0,0,0,1|1,0,2]=4 1874 B15R1.78 CCCCCC(C)NCc1ccccc1 9f8d1d82eab10443e7932883a7d2cadc [0,0,0,0,0,1|2,0,1]=4 1875 B15R1.78 CCCCCC(C)OCc1ccccc1 164aa4be4da51dc2e4ef365a91c6b94d [0,0,0,0,0,1|2,0,1]=4 1876 B15R1.78 CCCCC[C@@H](C)OCc1ccccc1 28d35c123f9c07a0854e11cb42839d05 [0,0,0,0,0,1|2,0,1]=4 1877 B15R1.78 CCCCC[C@H](C)NCc1ccccc1 8e19ea4dcfd8debfe9064dc2a14ea8ad [0,0,0,0,0,1|2,0,1]=4 1878 B15R1.78 CCCCC[C@H](C)OCc1ccccc1 e7a1be92c819339ca26afd4d6cce71fd [0,0,0,0,0,1|2,0,1]=4 1879 B15R1.78 CCCCNC(C)CCc1ccccc1 d1a5c2378f9754a5130a5004f6c19dce [0,0,0,0,0,1|1,0,1]=3 1880 B15R1.78 CCCCNC(C)COc1ccccc1 744cb7605039b004ab9aa5b633026d7a [0,0,0,0,0,1|1,0,1]=3 1881 B15R1.78 CCCCN[C@@H](C)CCc1ccccc1 31c6c19597d83aee41c2a38868ef84c7 [0,0,0,0,0,1|1,0,1]=3 1882 B15R1.78 CCCCN[C@H](C)CCc1ccccc1 cf501bd7abe94417f5caaf9dac5c4a73 [0,0,0,0,0,1|1,0,1]=3 1883 B15R1.78 CCCCOC(C)CCc1ccccc1 1a93dd8120941c55ffa73d651749a370 [0,0,0,0,0,1|2,0,1]=4 1884 B15R1.78 CCCCOC(C)COc1ccccc1 7519fa577eece139d2cea03880ee3be6 [0,0,0,0,0,1|2,0,1]=4 1885 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 9da29f4b8f0cb4478e7c9d8c8565b883 [0,0,0,0,0,1|2,0,1]=4 1886 B15R1.78 CCCCO[C@H](C)CCc1ccccc1 0443d825f3831c6069fa04b1f05bcac8 [0,0,0,0,0,1|2,0,1]=4 1887 B15R1.78 CCOCNC(C)CCc1ccccc1 cb104fb95dc49cf79640efd936d6cbc7 [0,0,0,0,0,1|2,0,1]=4 1888 B15R1.78 CCOCNC(C)COc1ccccc1 133e0dd59e97376fb76cafe0b775b955 [0,0,0,0,0,1|2,0,1]=4 1889 B15R1.78 CCOCN[C@@H](C)CCc1ccccc1 2c25e3a9596d8083f6fa31fa173f1308 [0,0,0,0,0,1|2,0,1]=4 1890 B15R1.78 CCOCN[C@H](C)CCc1ccccc1 eecee8be562d48fa56e6e37c30967f1b [0,0,0,0,0,1|2,0,1]=4 1891 B15R1.78 CN(CCCC#N)CCc1ccccc1 bc4b8fd0b4fc962f6fb6ae4525196daf [0,0,0,0,0,1|2,0,0]=3 1892 B15R1.78 CN(CCCC#N)CCc1ccccn1 e45d34b392b3690cf4b359b7c21d8052 [0,0,0,0,0,1|3,0,0]=4 1893 B15R1.78 CN(CCCC#N)CCc1cccnc1 840b351aa23fbe33c9f4af39e46595b7 [0,0,0,0,0,1|3,0,0]=4 1894 B15R1.78 CN(CCCC#N)CCc1ccncc1 c3f1f9fd67b94366d7ed21ee59063a1f [0,0,0,0,0,1|3,0,0]=4 1895 B15R1.78 COCCNC(C)CCc1ccccc1 2af00f1ba593f18f5c808bbd3fd9ed86 [0,0,0,0,0,1|2,0,0]=3 1896 B15R1.78 COCCNC(C)COc1ccccc1 5fee805ec6ba50aa418a61cce16ec632 [0,0,0,0,0,1|2,0,0]=3 1897 B15R1.78 COCCN[C@@H](C)CCc1ccccc1 4c4d59c83c877ef2f443d1dbdb8dd1a8 [0,0,0,0,0,1|2,0,0]=3 1898 B15R1.78 COCCN[C@H](C)CCc1ccccc1 068fa1b7ec4211aef0f5ced8350f92bb [0,0,0,0,0,1|2,0,0]=3 1899 B15R1.78 COCCOC(C)CCc1ccccc1 b1afa356feba32ebdc7b1bde41540b1c [0,0,0,0,0,1|3,0,0]=4 1900 B15R1.78 COCCOC(C)COc1ccccc1 e5b53b837aa36cf8b8e7d00fc6a3932d [0,0,0,0,0,1|3,0,0]=4 1901 B15R1.78 COCCO[C@@H](C)CCc1ccccc1 e49d3bf9da966e5e51b5c297530f090e [0,0,0,0,0,1|3,0,0]=4 1902 B15R1.78 COCCO[C@H](C)CCc1ccccc1 267779e3ed485e77cf9424fe4294248e [0,0,0,0,0,1|3,0,0]=4 1903 B15R1.78 CSCCNC(C)CCc1ccccc1 018a5de5dc00432513cfd571a0f404f0 [0,0,0,0,0,1|2,0,0]=3 1904 B15R1.78 CSCCNC(C)COc1ccccc1 dc6a6c09d6038222d56561439bfcfd42 [0,0,0,0,0,1|2,0,0]=3 1905 B15R1.78 CSCCN[C@@H](C)CCc1ccccc1 725a8aa7e481e9ffdddecd85ef93a82d [0,0,0,0,0,1|2,0,0]=3 1906 B15R1.78 CSCCN[C@H](C)CCc1ccccc1 ed4f9309da11130cf3ed39f62af3c0dd [0,0,0,0,0,1|2,0,0]=3 1907 B15R1.78 CSCCOC(C)CCc1ccccc1 2bdac472e622ebd512e9c316dfa2001e [0,0,0,0,0,1|3,0,0]=4 1908 B15R1.78 CSCCOC(C)COc1ccccc1 ad1be051de79c3cb1ad3d0b28728eab3 [0,0,0,0,0,1|3,0,0]=4 1909 B15R1.78 CSCCO[C@@H](C)CCc1ccccc1 37cd8fb2b479b0af6392ffe39419da93 [0,0,0,0,0,1|3,0,0]=4 1910 B15R1.78 CSCCO[C@H](C)CCc1ccccc1 26990e3f1cbd56c8e47e4ed44a8df23b [0,0,0,0,0,1|3,0,0]=4 1911 B15R1.78 C[C@@H](/C=C/c1ccccc1)OCCC#N e2179218678b3a7852572e4a974b7f94 [0,0,0,0,0,1|1,0,1]=3 1912 B15R1.78 C[C@@H](/C=C/c1ccccc1)OCSC#N b919e56839dbd3d67c772cd5f3f45db4 [0,0,0,0,0,1|2,0,1]=4 1913 B15R1.78 C[C@@H](CCc1ccccc1)NC/C=C/Cl b4d10e8ec9904cf177afef1fac8f8d98 [0,0,0,0,0,1|1,0,2]=4 1914 B15R1.78 C[C@@H](CCc1ccccc1)NC/C=C\Cl c1eaec5e985cc92038d3a00c74eaa79b [0,0,0,0,0,1|1,0,2]=4 1915 B15R1.78 C[C@@H](CCc1ccccc1)NC/C=C\O c21550b92f629fb458b23554dd233f4f [0,0,0,0,0,1|1,0,2]=4 1916 B15R1.78 C[C@@H](CCc1ccccc1)NCCC#N bdbd4b6130fd6a448df0678237f830b3 [0,0,0,0,0,1|0,0,0]=1 1917 B15R1.78 C[C@@H](CCc1ccccc1)NCCC=O ce523baf50399cf3bd554821fdece640 [0,0,0,0,0,1|1,0,1]=3 1918 B15R1.78 C[C@@H](CCc1ccccc1)NCCCF b14769bca5ee5174ef8310306c2da39d [0,0,0,0,0,1|1,0,1]=3 1919 B15R1.78 C[C@@H](CCc1ccccc1)NCCCO 7213a787a6ba90478bf6f565883e7740 [0,0,0,0,0,1|1,0,1]=3 1920 B15R1.78 C[C@@H](CCc1ccccc1)NCCCS 5e0cae89c077da1318545b6941061043 [0,0,0,0,0,1|1,0,1]=3 1921 B15R1.78 C[C@@H](CCc1ccccc1)NCSC#N ff33b9cdd96412f28997b6930380fdb1 [0,0,0,0,0,1|1,0,0]=2 1922 B15R1.78 C[C@@H](CCc1ccccc1)OCCC#N 9c751ff7781155a6a2e3baad3fb16016 [0,0,0,0,0,1|1,0,0]=2 1923 B15R1.78 C[C@@H](CCc1ccccc1)OCCC=O c9e56f48dd86527ee9fb85cb2a6b5700 [0,0,0,0,0,1|2,0,1]=4 1924 B15R1.78 C[C@@H](CCc1ccccc1)OCCCF 3cbffc1c85e817a21f02eb3907fabd3e [0,0,0,0,0,1|2,0,1]=4 1925 B15R1.78 C[C@@H](CCc1ccccc1)OCSC#N e2310470981ab4ed6af2db9df9a0868b [0,0,0,0,0,1|2,0,0]=3 1926 B15R1.78 C[C@@H](COCC#N)OCc1ccccc1 5098420104f0c4a6bfb70d823ea7ab49 [0,0,0,0,0,1|2,0,0]=3 1927 B15R1.78 C[C@H](/C=C/c1ccccc1)OCCC#N c8ca8ef08a6752dc9ecb1edb3e9298bf [0,0,0,0,0,1|1,0,1]=3 1928 B15R1.78 C[C@H](/C=C/c1ccccc1)OCSC#N b464c76ed69008fa151eaaf2ecef057a [0,0,0,0,0,1|2,0,1]=4 1929 B15R1.78 C[C@H](CCc1ccccc1)NC/C=C/Cl c32faf646b30d7044bbe8c6106f413c6 [0,0,0,0,0,1|1,0,2]=4 1930 B15R1.78 C[C@H](CCc1ccccc1)NC/C=C\Cl 6bd71caf5a27e9bc785aa88f265e3a99 [0,0,0,0,0,1|1,0,2]=4 1931 B15R1.78 C[C@H](CCc1ccccc1)NC/C=C\O eadc712a3f7f2956b96099d2d50e4605 [0,0,0,0,0,1|1,0,2]=4 1932 B15R1.78 C[C@H](CCc1ccccc1)NCCC#N 5aee83cb85dd6b174f184323fbbe106f [0,0,0,0,0,1|0,0,0]=1 1933 B15R1.78 C[C@H](CCc1ccccc1)NCCC=O 9e12325c622e16b2a43f346cc5e56fe1 [0,0,0,0,0,1|1,0,1]=3 1934 B15R1.78 C[C@H](CCc1ccccc1)NCCCF 57fc0483c050b3daf45542e5af984845 [0,0,0,0,0,1|1,0,1]=3 1935 B15R1.78 C[C@H](CCc1ccccc1)NCCCO 9cf92bc24351fde9fe27d6fda96e9ffc [0,0,0,0,0,1|1,0,1]=3 1936 B15R1.78 C[C@H](CCc1ccccc1)NCCCS da5518118f1e43dff4833a39db9a7272 [0,0,0,0,0,1|1,0,1]=3 1937 B15R1.78 C[C@H](CCc1ccccc1)NCSC#N 23f2cb7678e6b405d6011f98315a584a [0,0,0,0,0,1|1,0,0]=2 1938 B15R1.78 C[C@H](CCc1ccccc1)OCCC#N 8b2f543e71ddf3d50d71aa25acf7a10b [0,0,0,0,0,1|1,0,0]=2 1939 B15R1.78 C[C@H](CCc1ccccc1)OCCC=O f233a106852c27f0973cb0619cd752fb [0,0,0,0,0,1|2,0,1]=4 1940 B15R1.78 C[C@H](CCc1ccccc1)OCCCF f78e4a037895779b4e9123ed46aad715 [0,0,0,0,0,1|2,0,1]=4 1941 B15R1.78 C[C@H](CCc1ccccc1)OCSC#N 17831bd031a5bbe1ff8c1dc92d665f4c [0,0,0,0,0,1|2,0,0]=3 1942 B15R1.78 C[C@H](COCC#N)OCc1ccccc1 58746a1cfbd2edd07201ec0e9cb7c77a [0,0,0,0,0,1|2,0,0]=3 1943 B15R1.78 N#CCCCC(=O)NCc1ccccc1 d8bda1a60f4bcff9025280c39de0bf6f [0,0,0,0,0,1|2,0,1]=4 1944 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 b0657dbc669833b80a7ad0567d34de15 [0,0,0,0,0,1|1,0,2]=4 1945 B15R1.78 N#CCCNC(=O)C#Cc1ccccc1 d9d7168383707f866e6f94d1bc9d2f4e [0,0,0,0,0,1|1,0,2]=4 1946 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 be8b97b267b1dfcbee08efc10a0f7054 [0,0,0,0,0,1|1,0,2]=4 1947 B15R1.78 N#CCCNC(=O)CCc1ccccc1 52dd7cb8a0f54474b6df5445fbf90811 [0,0,0,0,0,1|1,0,1]=3 1948 B15R1.78 N#CCCNC(=O)CCc1ccccn1 c0b554a9a5fa22a0bd594d6b7da0e815 [0,0,0,0,0,1|2,0,1]=4 1949 B15R1.78 N#CCCNC(=O)CCc1cccnc1 9b1e6c530d0d7e16a92d6245b7221b8b [0,0,0,0,0,1|2,0,1]=4 1950 B15R1.78 N#CCCNC(=O)CCc1ccncc1 896cdf6e82ae64aa93cadf37234e3894 [0,0,0,0,0,1|2,0,1]=4 1951 B15R1.78 N#CCCNC(=O)CNc1ccccc1 72a6cf2ccfc54e289c6f46edae32cc27 [0,0,0,0,0,1|1,0,1]=3 1952 B15R1.78 N#CCCNC(=O)CNc1ccccn1 8d22b8984501c998b64a1a239114740c [0,0,0,0,0,1|2,0,1]=4 1953 B15R1.78 N#CCCNC(=O)CNc1cccnc1 d2e0bad8adf1f7d74383cb8ceb999634 [0,0,0,0,0,1|2,0,1]=4 1954 B15R1.78 N#CCCNC(=O)CNc1ccncc1 29e33490f1a6d928c38dedf2b6d62bda [0,0,0,0,0,1|2,0,1]=4 1955 B15R1.78 N#CCCNC(=O)COc1ccccc1 a1fcbeffc71f6b850e9aba2942314cbe [0,0,0,0,0,1|1,0,1]=3 1956 B15R1.78 N#CCCNC(=O)COc1ccccn1 1aedf39180279eb8e649ad2ea610c7c7 [0,0,0,0,0,1|2,0,1]=4 1957 B15R1.78 N#CCCNC(=O)COc1cccnc1 427e7727f9a72142d71a153c9aa605bf [0,0,0,0,0,1|2,0,1]=4 1958 B15R1.78 N#CCCNC(=O)COc1ccncc1 170f9d4f1462c3c7ee078b3903b48ee5 [0,0,0,0,0,1|2,0,1]=4 1959 B15R1.78 N#CCCNC(=O)CSc1ccccc1 f7b8716a55cf2221ac298307af5a303b [0,0,0,0,0,1|1,0,1]=3 1960 B15R1.78 N#CCCNC(=O)CSc1ccccn1 d1198e129c20d90ef49e6da75f51f943 [0,0,0,0,0,1|2,0,1]=4 1961 B15R1.78 N#CCCNC(=O)CSc1ccncc1 2559ecea02821f64a81ed947cba38db7 [0,0,0,0,0,1|2,0,1]=4 1962 B15R1.78 N#CCCNC(=O)NCc1ccccc1 89e239b8cb6c4c890d97efa9d2a54840 [0,0,0,0,0,1|1,0,1]=3 1963 B15R1.78 N#CCCNC(=O)NCc1ccccn1 bc61bfb0c670c65c5e37e1cc128e6bca [0,0,0,0,0,1|2,0,1]=4 1964 B15R1.78 N#CCCNC(=O)NCc1cccnc1 ebb61608f1aa476ab256651685f6794f [0,0,0,0,0,1|2,0,1]=4 1965 B15R1.78 N#CCCNC(=O)NCc1ccncc1 67724e0c4847ee85f605bc9e0316b708 [0,0,0,0,0,1|2,0,1]=4 1966 B15R1.78 N#CCCNC(=S)NCc1ccccc1 c7d3b672c9168ff74a5f77b055d9875f [0,0,0,0,0,1|1,0,1]=3 1967 B15R1.78 N#CCCNC(=S)NCc1ccccn1 69451d01eb3495b8510e982b07c3b09c [0,0,0,0,0,1|2,0,1]=4 1968 B15R1.78 N#CCCNC(=S)NCc1cccnc1 acf92bb5f75fc96b40ba89e9d02ad373 [0,0,0,0,0,1|2,0,1]=4 1969 B15R1.78 N#CCCNC(=S)NCc1ccncc1 6e515a832b79c2b668fd04337297fd78 [0,0,0,0,0,1|2,0,1]=4 1970 B15R1.78 N#CCNCC(O)COc1ccccc1 ad5f3d0393ce3e51ce207425f3a7baa7 [0,0,0,0,0,1|3,0,0]=4 1971 B12R1.8 BrCCNCCc1ccccc1 44438bbdc203ba2a96e00daceba19cdb [2,0,0,0,0,0|1,0,0]=3 1972 B12R1.8 BrCCNCCc1ccccn1 9a06bde2821ec808c3f7baa49dbbb136 [2,0,0,0,0,0|2,0,0]=4 1973 B12R1.8 BrCCNCCc1cccnc1 d7f4e91980611b9c6a9d67fde3f5b289 [2,0,0,0,0,0|2,0,0]=4 1974 B12R1.8 BrCCNCCc1ccncc1 ba1243a8e4e9a5eab4ccd20a3c98cc85 [2,0,0,0,0,0|2,0,0]=4 1975 B12R1.8 BrCCNCSc1ccccc1 b2e3f633ef77399c1c780c49854458d2 [2,0,0,0,0,0|2,0,0]=4 1976 B12R1.8 C#CCCCNc1ccccc1 74fc175421dbc3b424699e770c0c2fc6 [2,0,0,0,0,0|2,0,0]=4 1977 B12R1.8 C#CCCNCc1ccccc1 9efcf95ab875a3743cf2704fb10ab2d7 [2,0,0,0,0,0|1,0,0]=3 1978 B12R1.8 C#CCCNCc1ccccn1 59d980bd17be4025beef06b5145435ba [2,0,0,0,0,0|2,0,0]=4 1979 B12R1.8 C#CCCNCc1cccnc1 dc431d5bca4968cf851b34dc6dc26130 [2,0,0,0,0,0|2,0,0]=4 1980 B12R1.8 C#CCCNCc1ccncc1 852f3c180c6d953cc8152a672783baad [2,0,0,0,0,0|2,0,0]=4 1981 B12R1.8 C#CCCOCc1ccccc1 97bbe114df19205ca39f984806a809da [2,0,0,0,0,0|2,0,0]=4 1982 B12R1.8 C#CCNCCc1ccccc1 92e5ef2f7dd8ca50296fc5c10a5e2140 [2,0,0,0,0,0|0,0,1]=3 1983 B12R1.8 C#CCNCCc1ccccn1 e1cf6dd033aadde6da07434202745395 [2,0,0,0,0,0|1,0,1]=4 1984 B12R1.8 C#CCNCCc1cccnc1 e60b4d1abf32bb9fd8746da8f436489d [2,0,0,0,0,0|1,0,1]=4 1985 B12R1.8 C#CCNCCc1ccncc1 c64471921438c4519b11dff9e39caf1f [2,0,0,0,0,0|1,0,1]=4 1986 B12R1.8 C#CCOCCc1ccccc1 1e82b640f7f45e3a6d3d3fcd5bd127f6 [2,0,0,0,0,0|1,0,1]=4 1987 B12R1.8 C=CCCNCc1ccccc1 7be44c4294c0af7fca2ca0fbee344b88 [2,0,0,0,0,0|1,0,1]=4 1988 B12R1.8 C=CCNCCc1ccccc1 e4db187976e48a8658dbc174b43f52d7 [2,0,0,0,0,0|0,0,2]=4 1989 B12R1.8 CC#CCNCc1ccccc1 8c1f08f42380d385ee55fb616f0806b5 [2,0,0,0,0,0|1,0,1]=4 1990 B12R1.8 CCCCNCc1ccccc1 0ab7d34979c69bc4acd6ef46bb666f9a [2,0,0,0,0,0|1,0,1]=4 1991 B12R1.8 CCCNCCc1ccccc1 de4634a5b10be0583379bf36a55fd975 [2,0,0,0,0,0|0,0,1]=3 1992 B12R1.8 CCCNCCc1ccccn1 db4179a8136b988593f56bef0e41421d [2,0,0,0,0,0|1,0,1]=4 1993 B12R1.8 CCCNCCc1cccnc1 1e462df2b0ae672e64302eccd1ccbf55 [2,0,0,0,0,0|1,0,1]=4 1994 B12R1.8 CCCNCCc1ccncc1 75fa7087d9d322d4fb962981385838e0 [2,0,0,0,0,0|1,0,1]=4 1995 B12R1.8 CCCOCCc1ccccc1 6ff048bac0fc069e37a7f6359e53917a [2,0,0,0,0,0|1,0,1]=4 1996 B12R1.8 COCCNCc1ccccc1 8a36d3044a8140246d8590cb65467526 [2,0,0,0,0,0|2,0,0]=4 1997 B12R1.8 COCNCCc1ccccc1 a912e7467b1cfbc21e322d32a6dcd9f6 [2,0,0,0,0,0|1,0,1]=4 1998 B12R1.8 CSCCNCc1ccccc1 0d4e7f51d968ec32ec790202ae2a515e [2,0,0,0,0,0|2,0,0]=4 1999 B12R1.8 CSCNCCc1ccccc1 8cb9946ee650f17d4a684e0a1795e862 [2,0,0,0,0,0|1,0,1]=4 2000 B12R1.8 ClCCCNCc1ccccc1 8f799c9e441fd632be62e26270cf2f35 [2,0,0,0,0,0|1,0,1]=4 2001 B12R1.8 FCCCNCc1ccccc1 6d1372e4372415cb5d41d01b1ced7571 [2,0,0,0,0,0|1,0,1]=4 2002 B12R1.8 FCCNCCc1ccccc1 361355d651ba3401fa85cac238cfdb0b [2,0,0,0,0,0|1,0,0]=3 2003 B12R1.8 FCCNCCc1ccccn1 29c8a9f54fc2a477b50973596a269acb [2,0,0,0,0,0|2,0,0]=4 2004 B12R1.8 FCCNCCc1cccnc1 58b2ab7fc620968122c80079c047b73c [2,0,0,0,0,0|2,0,0]=4 2005 B12R1.8 FCCNCCc1ccncc1 3811375e5c5f5ffb86663c4d7bd351e7 [2,0,0,0,0,0|2,0,0]=4 2006 B12R1.8 FCCNCSc1ccccc1 b99d60c0fc5df8022ed05538b8ad6f86 [2,0,0,0,0,0|2,0,0]=4 2007 B12R1.8 FCCOCCc1ccccc1 3b5b20f3626d4389ca61c96c4166e57a [2,0,0,0,0,0|2,0,0]=4 2008 B12R1.8 ICCNCCc1ccccc1 3d43af0eb4bc8ed1c19be50fd2591b44 [2,0,0,0,0,0|1,0,0]=3 2009 B12R1.8 ICCNCCc1ccccn1 3a2513367ab7cf9a5f37f82491c73a54 [2,0,0,0,0,0|2,0,0]=4 2010 B12R1.8 ICCNCCc1cccnc1 9a37b912cff3420349bcdd29b8da0796 [2,0,0,0,0,0|2,0,0]=4 2011 B12R1.8 ICCNCCc1ccncc1 693c40e0cf7891ad91fdd11c327b86d3 [2,0,0,0,0,0|2,0,0]=4 2012 B12R1.8 N#CCCCNc1ccccc1 b63d3fad690b955214294824bdee6b3a [2,0,0,0,0,0|1,0,0]=3 2013 B12R1.8 N#CCCCNc1ccccn1 7b9975779e2248387eea03c8b9a0d3d5 [2,0,0,0,0,0|2,0,0]=4 2014 B12R1.8 N#CCCCNc1cccnc1 2eb28a915aa5255077884377a2a8687e [2,0,0,0,0,0|2,0,0]=4 2015 B12R1.8 N#CCCCNc1ccncc1 b907408c38ed6c4869c55580ab216d72 [2,0,0,0,0,0|2,0,0]=4 2016 B12R1.8 N#CCCCOc1ccccn1 54d86eead3e87e3254bcacec6892070b [2,0,0,0,0,0|2,0,0]=4 2017 B12R1.8 N#CCCCOc1cccnc1 b0738d8d8f8300428ed378b8a292bca3 [2,0,0,0,0,0|2,0,0]=4 2018 B12R1.8 N#CCCCOc1ccncc1 6552306ed346c99a18f3d77063f07066 [2,0,0,0,0,0|2,0,0]=4 2019 B12R1.8 N#CCCNCc1ccccc1 4d72f08df781a4a97f9c75c6cad34723 [2,0,0,0,0,0|0,0,0]=2 2020 B12R1.8 N#CCCNCc1ccccn1 84562c84373ae0a4f2ec4ac5d995d569 [2,0,0,0,0,0|1,0,0]=3 2021 B12R1.8 N#CCCNCc1cccnc1 f83c44c674568c41989c0d1cfce8e987 [2,0,0,0,0,0|1,0,0]=3 2022 B12R1.8 N#CCCNCc1cccnn1 ae7eae43e12623470346f15e7248f487 [2,0,0,0,0,0|2,0,0]=4 2023 B12R1.8 N#CCCNCc1ccncc1 c2c5273f84cf13a2145814f248590d55 [2,0,0,0,0,0|1,0,0]=3 2024 B12R1.8 N#CCCNCc1ccncn1 0419014e63869c11a38a568fc4c2d4d8 [2,0,0,0,0,0|2,0,0]=4 2025 B12R1.8 N#CCCNCc1ccnnc1 8daf8185d79f6b121f0d97b84c1339a3 [2,0,0,0,0,0|2,0,0]=4 2026 B12R1.8 N#CCCNCc1cnccn1 d183bc2085d394054ebf0bb619064e5f [2,0,0,0,0,0|2,0,0]=4 2027 B12R1.8 N#CCCNCc1cncnc1 ff8c17d9cdb53d75b057b017972bfedd [2,0,0,0,0,0|2,0,0]=4 2028 B12R1.8 N#CCCNCc1ncccn1 271a6093bba63cf7ad26bd6c7caac65b [2,0,0,0,0,0|2,0,0]=4 2029 B12R1.8 N#CCCOCc1ccccc1 ee4f67be7b7a1f02f3abb23db1d228e3 [2,0,0,0,0,0|1,0,0]=3 2030 B12R1.8 N#CCCOCc1ccccn1 8378ddb820596415e545c88dfc8ce857 [2,0,0,0,0,0|2,0,0]=4 2031 B12R1.8 N#CCCOCc1cccnc1 c898be53cb842aa69473c9b0cf3e4220 [2,0,0,0,0,0|2,0,0]=4 2032 B12R1.8 N#CCCOCc1ccncc1 c01b20ab0259cc01daea3bc1814ff82e [2,0,0,0,0,0|2,0,0]=4 2033 B12R1.8 N#CCNCCc1ccccc1 196965f1ea9924e72f23b610f5ed5162 [2,0,0,0,0,0|0,0,0]=2 2034 B12R1.8 N#CCNCCc1ccccn1 163b09df21cb199dae55caf11c578544 [2,0,0,0,0,0|1,0,0]=3 2035 B12R1.8 N#CCNCCc1cccnc1 16954d72667e4e911286fe1fd74ebb45 [2,0,0,0,0,0|1,0,0]=3 2036 B12R1.8 N#CCNCCc1ccncc1 f33c4f1b8764efe9a51017b3091f844f [2,0,0,0,0,0|1,0,0]=3 2037 B12R1.8 N#CCNCCc1ccncn1 2d26a1c030f6629341c958ae72026151 [2,0,0,0,0,0|2,0,0]=4 2038 B12R1.8 N#CCNCCc1cnccn1 4d2ee91057972c6bc24d90c0f04dd017 [2,0,0,0,0,0|2,0,0]=4 2039 B12R1.8 N#CCNCCc1ncccn1 6804f2415cc34a797c92230b83c133c8 [2,0,0,0,0,0|2,0,0]=4 2040 B12R1.8 N#CCOCCc1ccccc1 f710fd753c514569a7e1cf024d236cec [2,0,0,0,0,0|1,0,0]=3 2041 B12R1.8 N#CCOCCc1ccccn1 bafea33941ce33ee97bd85bc178ec803 [2,0,0,0,0,0|2,0,0]=4 2042 B12R1.8 N#CCOCCc1cccnc1 a4b9574a0b1ee7ba313ef820951e599b [2,0,0,0,0,0|2,0,0]=4 2043 B12R1.8 N#CCOCCc1ccncc1 dec3d816ca7a83e94887dcead2c5e606 [2,0,0,0,0,0|2,0,0]=4 2044 B12R1.8 N#CNCCCc1ccccc1 c15a86ec4727013e594da04c9a6943f6 [2,0,0,0,0,0|1,0,0]=3 2045 B12R1.8 N#CNCCCc1ccccn1 605e80d923f8e9ee00ace4725eaea567 [2,0,0,0,0,0|2,0,0]=4 2046 B12R1.8 N#CNCCCc1cccnc1 a1a8537c06bfb7abe218a23b35553f23 [2,0,0,0,0,0|2,0,0]=4 2047 B12R1.8 N#CNCCCc1ccncc1 6d4e3f7e117001a95f87f00cca313381 [2,0,0,0,0,0|2,0,0]=4 2048 B12R1.8 N#CNCCOc1ccccc1 370aac6fd6825ccf4ffebf30b2c8d324 [2,0,0,0,0,0|2,0,0]=4 2049 B12R1.8 N#CNCCSc1ccccc1 8e4cbfdfd619fcaee033a00c63065969 [2,0,0,0,0,0|2,0,0]=4 2050 B12R1.8 N#CSCNCc1ccccc1 15907aa219680e609c9dcf7b05128d0a [2,0,0,0,0,0|1,0,0]=3 2051 B12R1.8 N#CSCNCc1cccnc1 681774d729343b810730531195c82215 [2,0,0,0,0,0|2,0,0]=4 2052 B12R1.8 N#CSCNCc1ccncc1 7516fe0cd9690078cb0c7baa14ba77f6 [2,0,0,0,0,0|2,0,0]=4 2053 B12R1.8 N#CSCOCc1ccccc1 c07dfa541610d51d167cd19caa0ddf16 [2,0,0,0,0,0|2,0,0]=4 2054 B12R1.8 NOCCNCc1ccccc1 c44b16f502caeb4e0911ea1065c9b2b0 [2,0,0,0,0,0|1,0,1]=4 2055 B12R1.8 O=CCCNCc1ccccc1 c74469b4a98525e28c41fd68e9d4e654 [2,0,0,0,0,0|1,0,1]=4 2056 B12R1.8 O=CCNCCc1ccccc1 7b8a13082bcfdef296ce3280285f19f6 [2,0,0,0,0,0|1,0,1]=4 2057 B12R1.8 OCCCNCc1ccccc1 1f43a365b69733d9fd54c3f1367679b4 [2,0,0,0,0,0|1,0,1]=4 2058 B12R1.8 OCCNCCc1ccccc1 6832b0d8880be8700c4d8c29ed63036c [2,0,0,0,0,0|1,0,0]=3 2059 B12R1.8 OCCNCCc1ccccn1 192e21053d8ac918db362a708882a85e [2,0,0,0,0,0|2,0,0]=4 2060 B12R1.8 OCCNCCc1cccnc1 5891d48f724f9c6f3ad1caf0a25a85fd [2,0,0,0,0,0|2,0,0]=4 2061 B12R1.8 OCCNCCc1ccncc1 b842232cc5675331ff05fecfcbf14339 [2,0,0,0,0,0|2,0,0]=4 2062 B12R1.8 OCCNCSc1ccccc1 973e07915013e23c41bc74a1aa466e19 [2,0,0,0,0,0|2,0,0]=4 2063 B12R1.8 SCCCNCc1ccccc1 66312e7d4ce4f899347700206744a721 [2,0,0,0,0,0|1,0,1]=4 2064 B12R1.8 SCCNCCc1ccccc1 77f9cf13a4d370b17f1b8a888b3044b3 [2,0,0,0,0,0|1,0,0]=3 2065 B12R1.8 SCCNCCc1ccccn1 ee52ad5cacea42a063542560ca02c6c5 [2,0,0,0,0,0|2,0,0]=4 2066 B12R1.8 SCCNCCc1cccnc1 f05b013db913ccc909ff89417846b387 [2,0,0,0,0,0|2,0,0]=4 2067 B12R1.8 SCCNCCc1ccncc1 ccb9121d287104528c39ff9698fecd48 [2,0,0,0,0,0|2,0,0]=4 2068 B12R1.8 SCCOCCc1ccccc1 622b11be5805e98ac28331a5544396fa [2,0,0,0,0,0|2,0,0]=4 2069 B12R1.32 C#CCN(C)Cc1ccccc1 e56580931f8cdab6398e6e077f7d4a03 [2,0,0,0,0,0|1,0,1]=4 2070 B12R1.32 CC(CC#N)Nc1ccccc1 9d497ef86eee6b3cf19732b73151dfc5 [2,0,0,0,0,0|1,0,0]=3 2071 B12R1.32 CC(CC#N)Nc1ccccn1 c0975d61d9d4bf949e198e459316e5ac [2,0,0,0,0,0|2,0,0]=4 2072 B12R1.32 CC(CC#N)Nc1cccnc1 85e1a1944bb090848679d4a1ae0ed26c [2,0,0,0,0,0|2,0,0]=4 2073 B12R1.32 CC(CC#N)Nc1ccncc1 c07d4ea4065fe94b77936f09606cb343 [2,0,0,0,0,0|2,0,0]=4 2074 B12R1.32 CC(CC#N)Oc1ccccn1 fe6032779d6cdf64ba95d6c8168ddd56 [2,0,0,0,0,0|2,0,0]=4 2075 B12R1.32 CC(CC#N)Oc1cccnc1 a300d4d03a3b3651e671d8cc577bbfa0 [2,0,0,0,0,0|2,0,0]=4 2076 B12R1.32 CC(CC#N)Oc1ccncc1 735080172ac3c65b282aff4b4823efd5 [2,0,0,0,0,0|2,0,0]=4 2077 B12R1.32 CC(CCO)Nc1ccccc1 9bf70c52b6fbdda0acbad0fbf8bda5d0 [2,0,0,0,0,0|2,0,0]=4 2078 B12R1.32 CC(Cc1ccccn1)NCF d5fdd6b98c347b6317b5d0d8cf3c28b6 [2,0,0,0,0,0|2,0,0]=4 2079 B12R1.32 CC(Cc1ccccn1)NCO eb641c414d0b15108bf9321647b7890c [2,0,0,0,0,0|2,0,0]=4 2080 B12R1.32 CC(Cc1cccnc1)NCF 0a8331e6b65f8d98e5c22c4682170fe6 [2,0,0,0,0,0|2,0,0]=4 2081 B12R1.32 CC(Cc1cccnc1)NCO 2d1e9d214ab4e58b5282fe30111314e4 [2,0,0,0,0,0|2,0,0]=4 2082 B12R1.32 CC(Cc1ccncc1)NCF 552d22a85f958469339986039ae7dce3 [2,0,0,0,0,0|2,0,0]=4 2083 B12R1.32 CC(Cc1ccncc1)NCO def23991f96c3f6436149b61afb90490 [2,0,0,0,0,0|2,0,0]=4 2084 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [2,0,0,0,0,0|1,0,1]=4 2085 B12R1.32 CCCN(C)Cc1ccccc1 4eed5f3692a34dc05deac3e14f757f4f [2,0,0,0,0,0|1,0,1]=4 2086 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [2,0,0,0,0,0|1,0,1]=4 2087 B12R1.32 CCNC(C)Cc1ccccn1 3f739570fdaf944ffb41444c69149a83 [2,0,0,0,0,0|1,0,0]=3 2088 B12R1.32 CCNC(C)Cc1cccnc1 1c73ce06501092b14624237b8eaa830e [2,0,0,0,0,0|1,0,0]=3 2089 B12R1.32 CCNC(C)Cc1ccncc1 1ac39eab33f6c8633237d01993a17382 [2,0,0,0,0,0|1,0,0]=3 2090 B12R1.32 CCNC(C)Cc1cnccn1 bda15725b23b5e321786fab09c3daddb [2,0,0,0,0,0|2,0,0]=4 2091 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [2,0,0,0,0,0|1,0,0]=3 2092 B12R1.32 CCOC(C)Cc1ccccn1 144eae020541eabb52d7b3534ceef0a4 [2,0,0,0,0,0|2,0,0]=4 2093 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [2,0,0,0,0,0|1,0,0]=3 2094 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [2,0,0,0,0,0|1,0,0]=3 2095 B12R1.32 CN(CC#N)Cc1ccccc1 5c32846a8b8f40e8ba55bc3d3a77884c [2,0,0,0,0,0|1,0,0]=3 2096 B12R1.32 CN(CC#N)Cc1ccccn1 2b328196452f779fb0aa2a69f9df754d [2,0,0,0,0,0|2,0,0]=4 2097 B12R1.32 CN(CC#N)Cc1cccnc1 89cd4ba63d950224c9ceb46d82514161 [2,0,0,0,0,0|2,0,0]=4 2098 B12R1.32 CN(CC#N)Cc1ccncc1 0dff914d352248e0665ac5863f405a59 [2,0,0,0,0,0|2,0,0]=4 2099 B12R1.32 CN(CCF)Cc1ccccc1 c2bce3f6897fd6361961da43db186c6c [2,0,0,0,0,0|2,0,0]=4 2100 B12R1.32 CN(CCO)Cc1ccccc1 757bf36fdf4b02517da3241e86467be6 [2,0,0,0,0,0|2,0,0]=4 2101 B12R1.32 CN(CCS)Cc1ccccc1 8e8f744accb260bbf35bc2715f513a4e [2,0,0,0,0,0|2,0,0]=4 2102 B12R1.32 C[C@@H](CCO)Nc1ccccc1 fc83b26b05d5bb1e6a4de978429a6aa3 [2,0,0,0,0,0|2,0,0]=4 2103 B12R1.32 C[C@H](CCO)Nc1ccccc1 83604672ebfdf7df8b733c8cb4f2aa8a [2,0,0,0,0,0|2,0,0]=4 2104 B14R1.14 C#CCCNCCc1ccc(cc1)Br bdfea0a28bd1beb06d4429b427cbe3f6 [1,1,0,0,0,0|1,0,0]=3 2105 B14R1.14 C#CCCNCCc1ccc(cc1)C 9d5b5b009836c033b8f89bc44406b349 [1,1,0,0,0,0|1,0,0]=3 2106 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 7d9fa3f7309649648b74e03d2aa13c8f [1,1,0,0,0,0|1,0,0]=3 2107 B14R1.14 C#CCCNCCc1ccc(cc1)F 97ca3669c3179e1781e2231c9db0ac6f [1,1,0,0,0,0|1,0,0]=3 2108 B14R1.14 C#CCCNCCc1ccc(cc1)I 10320f99bf896f45a56f7932417e10f5 [1,1,0,0,0,0|1,0,0]=3 2109 B14R1.14 C#CCCNCCc1ccc(cn1)Br d046ebf937f2bab71b12703625bf0785 [1,1,0,0,0,0|2,0,0]=4 2110 B14R1.14 C#CCCNCCc1ccc(nc1)Br 34e025f50f2f6319bbd720e3fbc610d3 [1,1,0,0,0,0|2,0,0]=4 2111 B14R1.14 C#CCCNCCc1ccc(nc1)C 3c87125d05ac5aabd0876bdb4f3fa738 [1,1,0,0,0,0|2,0,0]=4 2112 B14R1.14 C#CCCNCCc1ccc(nc1)Cl 52ef039e4fca9354949956f7e9c405a7 [1,1,0,0,0,0|2,0,0]=4 2113 B14R1.14 C#CCCNCSc1ccc(cc1)C e40d346d9a21194f022aaf8982734134 [1,1,0,0,0,0|2,0,0]=4 2114 B14R1.14 C#CCCNCSc1ccc(cc1)Cl 57e4e833b2fad31fb5c3757bae54107f [1,1,0,0,0,0|2,0,0]=4 2115 B14R1.14 C#CCCOCCc1ccc(cc1)Br 3aaa351db6f17c8d673dbb336a352d46 [1,1,0,0,0,0|2,0,0]=4 2116 B14R1.14 C#CCCOCCc1ccc(cc1)C c57ba390b8fec0d799ed58231b63a5da [1,1,0,0,0,0|2,0,0]=4 2117 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 68cdac9fe635c9a56dc699892c3c430d [1,1,0,0,0,0|2,0,0]=4 2118 B14R1.14 C#CCCOCCc1ccc(cc1)F 8c0d73bb4a4904b4eeda4333d1b3d7ad [1,1,0,0,0,0|2,0,0]=4 2119 B14R1.14 C#CCCOCCc1ccc(cc1)I 4e1468bc40e561244950ce013d16a13c [1,1,0,0,0,0|2,0,0]=4 2120 B14R1.14 C=CCCNCCc1ccc(cc1)Br 9adb53a3de27fc3411ad0bab32c86176 [1,1,0,0,0,0|1,0,1]=4 2121 B14R1.14 C=CCCNCCc1ccc(cc1)C c1f492c988e712d51b27c6192865f5a7 [1,1,0,0,0,0|1,0,1]=4 2122 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 37abddc913356e30a3c78adb01070f88 [1,1,0,0,0,0|1,0,1]=4 2123 B14R1.14 C=CCCNCCc1ccc(cc1)F 54ecb0f62b04a48983e448a9b99f5a03 [1,1,0,0,0,0|1,0,1]=4 2124 B14R1.14 C=CCCNCCc1ccc(cc1)I 5b151cc1ece036dd18244932b6610e77 [1,1,0,0,0,0|1,0,1]=4 2125 B14R1.14 CC#CCNCCc1ccc(cc1)Br 806ef4f6f5ffdacb08d3e443a80a4b19 [1,1,0,0,0,0|1,0,1]=4 2126 B14R1.14 CC#CCNCCc1ccc(cc1)C dda2db205365db9060df1e30fdc88c2c [1,1,0,0,0,0|1,0,1]=4 2127 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 1959a1d827febceb51b75f63f967666f [1,1,0,0,0,0|1,0,1]=4 2128 B14R1.14 CC#CCNCCc1ccc(cc1)F 9e3303d3f99e25404b445f4a133cc2c6 [1,1,0,0,0,0|1,0,1]=4 2129 B14R1.14 CC#CCNCCc1ccc(cc1)I 7d23450aaa8d5f4519bacc0753251bb3 [1,1,0,0,0,0|1,0,1]=4 2130 B14R1.14 CCCCNCCc1ccc(cc1)Br ecadd2828446df6e4d4ae1c4ebbb409f [1,1,0,0,0,0|1,0,1]=4 2131 B14R1.14 CCCCNCCc1ccc(cc1)C 6f56735b191a27d39a1ef50ebbc90139 [1,1,0,0,0,0|1,0,1]=4 2132 B14R1.14 CCCCNCCc1ccc(cc1)Cl 32ecf2fc9a5e5ee5720e1c756efa25a9 [1,1,0,0,0,0|1,0,1]=4 2133 B14R1.14 CCCCNCCc1ccc(cc1)F b12d3d607fc13812d35f1f0e150fc6fe [1,1,0,0,0,0|1,0,1]=4 2134 B14R1.14 CCCCNCCc1ccc(cc1)I d4dfb9b424b8c79d584c03f6f30de0bf [1,1,0,0,0,0|1,0,1]=4 2135 B14R1.14 COCCNCCc1ccc(cc1)Br 3f47930d3855f4a06f267245de2eb63b [1,1,0,0,0,0|2,0,0]=4 2136 B14R1.14 COCCNCCc1ccc(cc1)C ca0e6ed0f67d5a88a40fa76e49cfe43c [1,1,0,0,0,0|2,0,0]=4 2137 B14R1.14 COCCNCCc1ccc(cc1)Cl 040ae9131c9001a71bc0e184bc6c33b6 [1,1,0,0,0,0|2,0,0]=4 2138 B14R1.14 COCCNCCc1ccc(cc1)F d10f45ecd901b8bc997ba002e71ad1f1 [1,1,0,0,0,0|2,0,0]=4 2139 B14R1.14 COCCNCCc1ccc(cc1)I caf712ffe34d0f80959152fed8f67706 [1,1,0,0,0,0|2,0,0]=4 2140 B14R1.14 CSCCNCCc1ccc(cc1)Br 7783098502160fc1640f95f3c8d2e3cf [1,1,0,0,0,0|2,0,0]=4 2141 B14R1.14 CSCCNCCc1ccc(cc1)C 846f58cdae5ac5f5901755ca7c66c274 [1,1,0,0,0,0|2,0,0]=4 2142 B14R1.14 CSCCNCCc1ccc(cc1)Cl 7948de6052dcb0924bc553c2f27fa3ad [1,1,0,0,0,0|2,0,0]=4 2143 B14R1.14 CSCCNCCc1ccc(cc1)F 27eb1ad0e10430d3a4b9fd3f4798ba5e [1,1,0,0,0,0|2,0,0]=4 2144 B14R1.14 CSCCNCCc1ccc(cc1)I bcb8e900af49333ef39687cb5c75c268 [1,1,0,0,0,0|2,0,0]=4 2145 B14R1.14 Cc1ccc(cc1)CCCCNC#N 1358ba2988620b1545efd690bd898192 [1,1,0,0,0,0|2,0,0]=4 2146 B14R1.14 Cc1ccc(cc1)CCCNCC#N 8fa357caebb629d09fe44753d088b37f [1,1,0,0,0,0|2,0,0]=4 2147 B14R1.14 Cc1ccc(cc1)CCCOCC#N 8dc0b941f36fa79e2a3ba92f30386200 [1,1,0,0,0,0|2,0,0]=4 2148 B14R1.14 Cc1ccc(cc1)CCNCCC#N da3edd1c3a5e60dbfe3da55e338ac89b [1,1,0,0,0,0|0,0,0]=2 2149 B14R1.14 Cc1ccc(cc1)CCNCCC=O 08d86250fcadbd06235d17d7d1d9b63d [1,1,0,0,0,0|1,0,1]=4 2150 B14R1.14 Cc1ccc(cc1)CCNCCCCl ff2ba423d1182315d42b36b39a22a523 [1,1,0,0,0,0|1,0,1]=4 2151 B14R1.14 Cc1ccc(cc1)CCNCCCF 84f22b18f00335883026e9d2fafa56ef [1,1,0,0,0,0|1,0,1]=4 2152 B14R1.14 Cc1ccc(cc1)CCNCCCO 2738b341a553bca43f3bc849db954133 [1,1,0,0,0,0|1,0,1]=4 2153 B14R1.14 Cc1ccc(cc1)CCNCCCS 760129b601c476f1ddd68e928a5845b6 [1,1,0,0,0,0|1,0,1]=4 2154 B14R1.14 Cc1ccc(cc1)CCNCCON 2ce95448cc7d2ac064efecd059429572 [1,1,0,0,0,0|1,0,1]=4 2155 B14R1.14 Cc1ccc(cc1)CCNCSC#N 9f277039400884ef54e6b0c2920c5ee9 [1,1,0,0,0,0|1,0,0]=3 2156 B14R1.14 Cc1ccc(cc1)CCOCCC#N 0a5b4916ab44b8cecb9e3f5d3cc8d14d [1,1,0,0,0,0|1,0,0]=3 2157 B14R1.14 Cc1ccc(cc1)CCOCSC#N 7df0d1f6bb25fe252d16a76062949ec5 [1,1,0,0,0,0|2,0,0]=4 2158 B14R1.14 Cc1ccc(cc1)CNCCCC#N a4223b2b0f67fef34e49533915e6f47a [1,1,0,0,0,0|2,0,0]=4 2159 B14R1.14 Cc1ccc(cc1)COCCCC#N a08320ae9bb6282e2bc5fb357511100c [1,1,0,0,0,0|2,0,0]=4 2160 B14R1.14 Cc1ccc(cc1)NCCCCC#N 04497bc7bc52b34ec0a99c91ab05362a [1,1,0,0,0,0|2,0,0]=4 2161 B14R1.14 Cc1ccc(cc1)OCCCCC#N 00fee23edab05d10677e15baef9c303b [1,1,0,0,0,0|2,0,0]=4 2162 B14R1.14 Cc1ccc(cc1)SCNCCC#N 15f6849849d5de05c2feae359e914232 [1,1,0,0,0,0|1,0,0]=3 2163 B14R1.14 Cc1ccc(cn1)CCNCCC#N dcaadf3d8d995d44c64ea70915c8fce3 [1,1,0,0,0,0|1,0,0]=3 2164 B14R1.14 Cc1ccc(cn1)CCNCSC#N df715e630d209dc4d7a74aef320959a7 [1,1,0,0,0,0|2,0,0]=4 2165 B14R1.14 Cc1ccc(cn1)CCOCCC#N fab5096835adc88dc256545b896cd81f [1,1,0,0,0,0|2,0,0]=4 2166 B14R1.14 Cc1ccc(nc1)CCOCCC#N fc21f5961611aef0045da701edb7cd2b [1,1,0,0,0,0|2,0,0]=4 2167 B14R1.14 Cc1cnc(cn1)CCNCCC#N 047092d05aa8dbbcf008e01fe51ea4dd [1,1,0,0,0,0|2,0,0]=4 2168 B14R1.14 ClCCCNCCc1ccc(cc1)Br b2a5956c22bbdbb366a37e6eec7cc38b [1,1,0,0,0,0|1,0,1]=4 2169 B14R1.14 ClCCCNCCc1ccc(cc1)Cl db674ff8e692e3d6cc9d8bb04f5a9b65 [1,1,0,0,0,0|1,0,1]=4 2170 B14R1.14 ClCCCNCCc1ccc(cc1)I a3a9b07f4f8ca961801f713cb36e4bc2 [1,1,0,0,0,0|1,0,1]=4 2171 B14R1.14 FCCCNCCc1ccc(cc1)Br 16b2e849ee512ee0970a9b17ae9b06c7 [1,1,0,0,0,0|1,0,1]=4 2172 B14R1.14 FCCCNCCc1ccc(cc1)Cl 9785fd1fbb4e60885230e759fab5fb81 [1,1,0,0,0,0|1,0,1]=4 2173 B14R1.14 FCCCNCCc1ccc(cc1)F 62beca6c29410156ddc5f0fad7fe0974 [1,1,0,0,0,0|1,0,1]=4 2174 B14R1.14 FCCCNCCc1ccc(cc1)I 240c8815c6135f6123737fdf564e9dd8 [1,1,0,0,0,0|1,0,1]=4 2175 B14R1.14 Fc1ccc(cc1)CCNCCCCl 1a57d2677101c3e01dd61e2dfc950a93 [1,1,0,0,0,0|1,0,1]=4 2176 B14R1.14 Fc1ccc(cc1)CCNCCCS c05a202cfbd97aa333e2cf7bd653bb4b [1,1,0,0,0,0|1,0,1]=4 2177 B14R1.14 N#CCCCCNc1ccc(cc1)Br 2e150ab758d5c0baf26c7411205c6f35 [1,1,0,0,0,0|2,0,0]=4 2178 B14R1.14 N#CCCCCNc1ccc(cc1)Cl 2b2548f371f0695463b495dd0b59d67e [1,1,0,0,0,0|2,0,0]=4 2179 B14R1.14 N#CCCCCNc1ccc(cc1)F 410ccde30bfd48c77521300ef3244491 [1,1,0,0,0,0|2,0,0]=4 2180 B14R1.14 N#CCCCCNc1ccc(cc1)I 0f965b4fcf7771fbaca19d87246d9724 [1,1,0,0,0,0|2,0,0]=4 2181 B14R1.14 N#CCCCCNc1ccc(cc1)S 1919eeeba19ecb04b3f489fec898986b [1,1,0,0,0,0|2,0,0]=4 2182 B14R1.14 N#CCCCCOc1ccc(cc1)Br 6b2c4aa38746293c12448eae31165852 [1,1,0,0,0,0|2,0,0]=4 2183 B14R1.14 N#CCCCCOc1ccc(cc1)Cl 835fb35097858c64d7962d37dd9d81c5 [1,1,0,0,0,0|2,0,0]=4 2184 B14R1.14 N#CCCCCOc1ccc(cc1)F f38ded7eb63d67e4edce28407de02f12 [1,1,0,0,0,0|2,0,0]=4 2185 B14R1.14 N#CCCCCOc1ccc(cc1)I 721a3d543b1f628ba838103bc33b1bf0 [1,1,0,0,0,0|2,0,0]=4 2186 B14R1.14 N#CCCCCOc1ccc(cc1)S e160dd3f9d9b395e9941066be0a382a0 [1,1,0,0,0,0|2,0,0]=4 2187 B14R1.14 N#CCCCNCc1ccc(cc1)Br 57aa862313f2efcc6c657398da6980f3 [1,1,0,0,0,0|2,0,0]=4 2188 B14R1.14 N#CCCCNCc1ccc(cc1)Cl b6b8faa45b039d0cb50ff28dbd70fa1c [1,1,0,0,0,0|2,0,0]=4 2189 B14R1.14 N#CCCCNCc1ccc(cc1)F 68d57d1e9cab85a5830eb6e385c4b749 [1,1,0,0,0,0|2,0,0]=4 2190 B14R1.14 N#CCCCNCc1ccc(cc1)I b34feee54bbd79908331b6522cdb2ddd [1,1,0,0,0,0|2,0,0]=4 2191 B14R1.14 N#CCCCOCc1ccc(cc1)Br f9fd96b7126448e020136260c838de81 [1,1,0,0,0,0|2,0,0]=4 2192 B14R1.14 N#CCCCOCc1ccc(cc1)Cl 6fdd31bba7f15ccbf71d1afc07693a8a [1,1,0,0,0,0|2,0,0]=4 2193 B14R1.14 N#CCCCOCc1ccc(cc1)F 1a8c862706ae9b65ea23bdfc32275415 [1,1,0,0,0,0|2,0,0]=4 2194 B14R1.14 N#CCCCOCc1ccc(cc1)I d96f808f9c2d6a72dff25dea0c1b39d6 [1,1,0,0,0,0|2,0,0]=4 2195 B14R1.14 N#CCCCOCc1ccc(cc1)S b713a1fbff4efe583f88004b266e6c2a [1,1,0,0,0,0|2,0,0]=4 2196 B14R1.14 N#CCCNCCc1ccc(cc1)Br 8d97d4889930d67d85f6b641437e5a2d [1,1,0,0,0,0|0,0,0]=2 2197 B14R1.14 N#CCCNCCc1ccc(cc1)Cl d3d473dd8a624829fbd05de79ab6edf3 [1,1,0,0,0,0|0,0,0]=2 2198 B14R1.14 N#CCCNCCc1ccc(cc1)F 2576fdfc610555acff5d05e8c99795b8 [1,1,0,0,0,0|0,0,0]=2 2199 B14R1.14 N#CCCNCCc1ccc(cc1)I 56a972a84edd97d06453e130f58fa3a1 [1,1,0,0,0,0|0,0,0]=2 2200 B14R1.14 N#CCCNCCc1ccc(cn1)Br 17eb887943da8407c8cef173ec018896 [1,1,0,0,0,0|1,0,0]=3 2201 B14R1.14 N#CCCNCCc1ccc(nc1)Br 14e7e12130fea0aee8d116714930745c [1,1,0,0,0,0|1,0,0]=3 2202 B14R1.14 N#CCCNCCc1ccc(nc1)Cl d66c4d270402ce1aacd0c53fb423b2dd [1,1,0,0,0,0|1,0,0]=3 2203 B14R1.14 N#CCCNCCc1cnc(nc1)Cl 6dc126657dee54867f7fd5c8db7f339e [1,1,0,0,0,0|2,0,0]=4 2204 B14R1.14 N#CCCNCSc1ccc(cc1)Cl 9754023bf1c48abdeb5599a90fcc7848 [1,1,0,0,0,0|1,0,0]=3 2205 B14R1.14 N#CCCOCCc1ccc(cc1)Br e9e7c18ca84f465822c82493bebd2919 [1,1,0,0,0,0|1,0,0]=3 2206 B14R1.14 N#CCCOCCc1ccc(cc1)Cl 986db8e47c5b6b9eefe7e6f691fa4742 [1,1,0,0,0,0|1,0,0]=3 2207 B14R1.14 N#CCCOCCc1ccc(cc1)F 887e4ae96da97b408eab45057e90720f [1,1,0,0,0,0|1,0,0]=3 2208 B14R1.14 N#CCCOCCc1ccc(cc1)I 0beac852080d74b98143897c1bc95ceb [1,1,0,0,0,0|1,0,0]=3 2209 B14R1.14 N#CCCOCCc1ccc(cn1)Br b8bef34840802ee5ede9f68bf885539c [1,1,0,0,0,0|2,0,0]=4 2210 B14R1.14 N#CCCOCCc1ccc(cn1)F 47464b89b54b82a6f915400037b4b842 [1,1,0,0,0,0|2,0,0]=4 2211 B14R1.14 N#CCCOCCc1ccc(nc1)Br 33d87516badd9b279e2a7747a618d426 [1,1,0,0,0,0|2,0,0]=4 2212 B14R1.14 N#CCCOCCc1ccc(nc1)Cl e6a57f8ba76eb5b90155d7ec118f8019 [1,1,0,0,0,0|2,0,0]=4 2213 B14R1.14 N#CCCOCCc1ccc(nc1)F 4bc3860ce8fdd302455dc02545809522 [1,1,0,0,0,0|2,0,0]=4 2214 B14R1.14 N#CCNCCCc1ccc(cc1)Br e0cf938f6a884e8e957b13802ea4db5b [1,1,0,0,0,0|2,0,0]=4 2215 B14R1.14 N#CCNCCCc1ccc(cc1)Cl 25bc6b9fcdbd6225d70f65e702b368c9 [1,1,0,0,0,0|2,0,0]=4 2216 B14R1.14 N#CCNCCCc1ccc(cc1)F a1dd1d33c20e6590d7e8d89deff2813a [1,1,0,0,0,0|2,0,0]=4 2217 B14R1.14 N#CCNCCCc1ccc(cc1)I 676dcb87d43e6a9fbc33c6d9a2472667 [1,1,0,0,0,0|2,0,0]=4 2218 B14R1.14 N#CCOCCCc1ccc(cc1)Br 021472e8ca00dd2e943b099e0b3dd428 [1,1,0,0,0,0|2,0,0]=4 2219 B14R1.14 N#CCOCCCc1ccc(cc1)Cl f7d9af0d05d15865eaff7aaba5d257c5 [1,1,0,0,0,0|2,0,0]=4 2220 B14R1.14 N#CCOCCCc1ccc(cc1)F f5f439e8b1747c113402dc7046d303e3 [1,1,0,0,0,0|2,0,0]=4 2221 B14R1.14 N#CCOCCCc1ccc(cc1)I 67ec88187f759603c9170ece41392439 [1,1,0,0,0,0|2,0,0]=4 2222 B14R1.14 N#CNCCCCc1ccc(cc1)Br 409c7b812544655903c5cc4a7e80d26e [1,1,0,0,0,0|2,0,0]=4 2223 B14R1.14 N#CNCCCCc1ccc(cc1)Cl bc508763c954295b9b882bdc74a7a5f8 [1,1,0,0,0,0|2,0,0]=4 2224 B14R1.14 N#CNCCCCc1ccc(cc1)F cfa749e5fa4d0c54d579ec339ac809a2 [1,1,0,0,0,0|2,0,0]=4 2225 B14R1.14 N#CSCNCCc1ccc(cc1)Br 7c6d5473160d84651e1d44fc9adf289e [1,1,0,0,0,0|1,0,0]=3 2226 B14R1.14 N#CSCNCCc1ccc(cc1)Cl f842df5a452cd14fa140c9a60910bf0d [1,1,0,0,0,0|1,0,0]=3 2227 B14R1.14 N#CSCNCCc1ccc(cc1)F e2df46927781333d2163cdb11aec2992 [1,1,0,0,0,0|1,0,0]=3 2228 B14R1.14 N#CSCNCCc1ccc(cc1)I f002e06c01400b91fd84f8e1394e7a4a [1,1,0,0,0,0|1,0,0]=3 2229 B14R1.14 N#CSCNCCc1ccc(nc1)Br 53ab074250fb0b7631577be0a57b576b [1,1,0,0,0,0|2,0,0]=4 2230 B14R1.14 N#CSCNCCc1ccc(nc1)Cl 84d91dd4290627e55e32bce769b2bc69 [1,1,0,0,0,0|2,0,0]=4 2231 B14R1.14 N#CSCOCCc1ccc(cc1)Br d618e78effe0f8a50f622c4ea63298f1 [1,1,0,0,0,0|2,0,0]=4 2232 B14R1.14 N#CSCOCCc1ccc(cc1)Cl a636114543dad979ff1ac7997ffae8b0 [1,1,0,0,0,0|2,0,0]=4 2233 B14R1.14 N#CSCOCCc1ccc(cc1)F 7cb14f45624b6b574d3cc1a5a62a7873 [1,1,0,0,0,0|2,0,0]=4 2234 B14R1.14 N#CSCOCCc1ccc(cc1)I f19c0e38a4ecc1c20770db065a1957c8 [1,1,0,0,0,0|2,0,0]=4 2235 B14R1.14 NOCCNCCc1ccc(cc1)Br 19188d88f8880843c8ea1fce6be7b735 [1,1,0,0,0,0|1,0,1]=4 2236 B14R1.14 NOCCNCCc1ccc(cc1)Cl 0bb9bbda54c52bc2a4e92b6a86760f74 [1,1,0,0,0,0|1,0,1]=4 2237 B14R1.14 NOCCNCCc1ccc(cc1)F 343818363c21d1c61d317cb4d08dab6f [1,1,0,0,0,0|1,0,1]=4 2238 B14R1.14 NOCCNCCc1ccc(cc1)I 3d3e73ebb83c3de4b6c0316f0ccb7eb9 [1,1,0,0,0,0|1,0,1]=4 2239 B14R1.14 O=CCCNCCc1ccc(cc1)Br 04ae62ffb7f1780be90478fd2700ccdc [1,1,0,0,0,0|1,0,1]=4 2240 B14R1.14 O=CCCNCCc1ccc(cc1)Cl 12d8e3fb4e7ce10bd2e9e39164f9b81f [1,1,0,0,0,0|1,0,1]=4 2241 B14R1.14 O=CCCNCCc1ccc(cc1)F 34283b0698e4e963f8364f6907c164eb [1,1,0,0,0,0|1,0,1]=4 2242 B14R1.14 O=CCCNCCc1ccc(cc1)I b1058605f83e657aeb329c599ca4b50e [1,1,0,0,0,0|1,0,1]=4 2243 B14R1.14 OCCCNCCc1ccc(cc1)Br bf97ebb32f130a06b32760d82f612674 [1,1,0,0,0,0|1,0,1]=4 2244 B14R1.14 OCCCNCCc1ccc(cc1)Cl 666e259a2ed1ffe2f8eb2baeb7963d69 [1,1,0,0,0,0|1,0,1]=4 2245 B14R1.14 OCCCNCCc1ccc(cc1)F cdd65e6ed4641ee23b38e763057dc229 [1,1,0,0,0,0|1,0,1]=4 2246 B14R1.14 OCCCNCCc1ccc(cc1)I febeab725a9b60ec784dd746823e15b1 [1,1,0,0,0,0|1,0,1]=4 2247 B14R1.14 SCCCNCCc1ccc(cc1)Br 33d102ec58285bc2252ffbf56fc09b23 [1,1,0,0,0,0|1,0,1]=4 2248 B14R1.14 SCCCNCCc1ccc(cc1)Cl 89e198d68a0226fad35b9f22070808eb [1,1,0,0,0,0|1,0,1]=4 2249 B14R1.14 SCCCNCCc1ccc(cc1)I ec5377ea17302913a4a2eb7dddc6381b [1,1,0,0,0,0|1,0,1]=4 2250 B14R1.26 C#CCCNCCc1cccc(c1)Br 8303cda87d9087f240fd34e0f99aaad2 [1,1,0,0,0,0|1,0,0]=3 2251 B14R1.26 C#CCCNCCc1cccc(c1)C df367f4690d19448139609ddef237349 [1,1,0,0,0,0|1,0,0]=3 2252 B14R1.26 C#CCCNCCc1cccc(c1)Cl 16b5dff44fc3efa4ca6463c89d73dab1 [1,1,0,0,0,0|1,0,0]=3 2253 B14R1.26 C#CCCNCCc1cccc(c1)F 14275667cba5010dfe9b7094cad43131 [1,1,0,0,0,0|1,0,0]=3 2254 B14R1.26 C#CCCNCCc1cccc(c1)I 801717e8d99576a3fdb431962dc2987b [1,1,0,0,0,0|1,0,0]=3 2255 B14R1.26 C#CCCNCCc1cccc(n1)C 87728c6d3d94a7a93abc549454818804 [1,1,0,0,0,0|2,0,0]=4 2256 B14R1.26 C#CCCNCCc1ccnc(c1)C 1cf478c3f71d6b2cf8d8902d01e4bcf0 [1,1,0,0,0,0|2,0,0]=4 2257 B14R1.26 C#CCCNCCc1cncc(c1)F 4a593e0041f1b5a652513b1d20b86e28 [1,1,0,0,0,0|2,0,0]=4 2258 B14R1.26 C#CCCOCCc1cccc(c1)Br 4a39f69374bc1e32726afe2669274ec6 [1,1,0,0,0,0|2,0,0]=4 2259 B14R1.26 C#CCCOCCc1cccc(c1)C aa9a6bba184224329c2ff38d29b95438 [1,1,0,0,0,0|2,0,0]=4 2260 B14R1.26 C#CCCOCCc1cccc(c1)Cl 76f9780b60d95080f59dc8255c6813ff [1,1,0,0,0,0|2,0,0]=4 2261 B14R1.26 C#CCCOCCc1cccc(c1)F 4d1b3b27996138f8489785d38fd2563c [1,1,0,0,0,0|2,0,0]=4 2262 B14R1.26 C#CCCOCCc1cccc(c1)I 2252e055abbeddf1b7c984c178ddbeed [1,1,0,0,0,0|2,0,0]=4 2263 B14R1.26 C=CCCNCCc1cccc(c1)Br e950513954727665d395c499675c6bc3 [1,1,0,0,0,0|1,0,1]=4 2264 B14R1.26 C=CCCNCCc1cccc(c1)C a45ff7ffecf17831dbed4e3366e17bab [1,1,0,0,0,0|1,0,1]=4 2265 B14R1.26 C=CCCNCCc1cccc(c1)Cl 1c17916e078bfe0ccd3161e6a3543994 [1,1,0,0,0,0|1,0,1]=4 2266 B14R1.26 C=CCCNCCc1cccc(c1)F 91d3413e8c550cfffc1ff5daefd893db [1,1,0,0,0,0|1,0,1]=4 2267 B14R1.26 C=CCCNCCc1cccc(c1)I 036fedb4bf048df1564dc22a04e926ad [1,1,0,0,0,0|1,0,1]=4 2268 B14R1.26 CC#CCNCCc1cccc(c1)Br 34da5e7c88e68d8a09d545069b087f97 [1,1,0,0,0,0|1,0,1]=4 2269 B14R1.26 CC#CCNCCc1cccc(c1)C aa77a37c04a44880fbea5602287a5861 [1,1,0,0,0,0|1,0,1]=4 2270 B14R1.26 CC#CCNCCc1cccc(c1)Cl f3c4f5dbc19e424bd37283abd28cec5a [1,1,0,0,0,0|1,0,1]=4 2271 B14R1.26 CC#CCNCCc1cccc(c1)F 0278612d96ffda5dcc4bd73f8e90cf39 [1,1,0,0,0,0|1,0,1]=4 2272 B14R1.26 CCCCNCCc1cccc(c1)Br a86da457c25d6a5fc8195e126a973238 [1,1,0,0,0,0|1,0,1]=4 2273 B14R1.26 CCCCNCCc1cccc(c1)C fa8792df516433f60df9e418fd82ec29 [1,1,0,0,0,0|1,0,1]=4 2274 B14R1.26 CCCCNCCc1cccc(c1)Cl 829f2a410d0ee94edd88abe9d9854a03 [1,1,0,0,0,0|1,0,1]=4 2275 B14R1.26 CCCCNCCc1cccc(c1)F 5cb4f0e0a5b13ac013200c887adee598 [1,1,0,0,0,0|1,0,1]=4 2276 B14R1.26 CCCCNCCc1cccc(c1)I e6776f06bda880eb57bc6b42634507c5 [1,1,0,0,0,0|1,0,1]=4 2277 B14R1.26 COCCNCCc1cccc(c1)Br 5e5edbe67aa1e71384b780b0fb11f9ab [1,1,0,0,0,0|2,0,0]=4 2278 B14R1.26 COCCNCCc1cccc(c1)C a301851400aebeb7c5cdad1f71fe172f [1,1,0,0,0,0|2,0,0]=4 2279 B14R1.26 COCCNCCc1cccc(c1)Cl b678aa17fc016684ec116f45c275941f [1,1,0,0,0,0|2,0,0]=4 2280 B14R1.26 COCCNCCc1cccc(c1)F cbdbb28b0f835a698cfe8a8a65401528 [1,1,0,0,0,0|2,0,0]=4 2281 B14R1.26 COCCNCCc1cccc(c1)I a0c332609e3147ec0f8e80c24c6def95 [1,1,0,0,0,0|2,0,0]=4 2282 B14R1.26 CSCCNCCc1cccc(c1)Br 57d3a67f508ed33f1a52c1a0744957cf [1,1,0,0,0,0|2,0,0]=4 2283 B14R1.26 CSCCNCCc1cccc(c1)C 604cdc6f368fc398217145464fa1d725 [1,1,0,0,0,0|2,0,0]=4 2284 B14R1.26 CSCCNCCc1cccc(c1)Cl b99f8d7121540e04a395796b0962129a [1,1,0,0,0,0|2,0,0]=4 2285 B14R1.26 CSCCNCCc1cccc(c1)F 44bc3413e613437d57ae7d4fba9c40f7 [1,1,0,0,0,0|2,0,0]=4 2286 B14R1.26 CSCCNCCc1cccc(c1)I 20a61e0976b6b330c0853ff1490ca724 [1,1,0,0,0,0|2,0,0]=4 2287 B14R1.26 Cc1cc(ccn1)CCNCCC#N faf75b52fedf2c003b4d36b6f0be6eb3 [1,1,0,0,0,0|1,0,0]=3 2288 B14R1.26 Cc1cc(ccn1)CCNCSC#N 883cdd05f29e7d08bca865b06abfcdba [1,1,0,0,0,0|2,0,0]=4 2289 B14R1.26 Cc1cccc(c1)CCCCNC#N 58565a9e28ebb6c81ae1f58cd8117533 [1,1,0,0,0,0|2,0,0]=4 2290 B14R1.26 Cc1cccc(c1)CCCNCC#N f93b2bbf417394868f61e391134e068d [1,1,0,0,0,0|2,0,0]=4 2291 B14R1.26 Cc1cccc(c1)CCCOCC#N d92e41c69e0764536eeb218821e9a9c8 [1,1,0,0,0,0|2,0,0]=4 2292 B14R1.26 Cc1cccc(c1)CCNCCC#N 40956af283efb78182a71d47e351258a [1,1,0,0,0,0|0,0,0]=2 2293 B14R1.26 Cc1cccc(c1)CCNCCC=O 595cb0824043f86430aa4aac1fab1009 [1,1,0,0,0,0|1,0,1]=4 2294 B14R1.26 Cc1cccc(c1)CCNCCCCl c80b99ebc2d72b37f13c7ca9dfc2a6d5 [1,1,0,0,0,0|1,0,1]=4 2295 B14R1.26 Cc1cccc(c1)CCNCCCF 7a5c2b3d295409e70179c5fc3ee45188 [1,1,0,0,0,0|1,0,1]=4 2296 B14R1.26 Cc1cccc(c1)CCNCCCO 403b9103b276bcde179d519a8ee73f9a [1,1,0,0,0,0|1,0,1]=4 2297 B14R1.26 Cc1cccc(c1)CCNCCCS 62c967b8b42c9fbb1d4defc7ec059848 [1,1,0,0,0,0|1,0,1]=4 2298 B14R1.26 Cc1cccc(c1)CCNCCON 0d3183f199f77709bb768cc7e611fc11 [1,1,0,0,0,0|1,0,1]=4 2299 B14R1.26 Cc1cccc(c1)CCNCSC#N 67ca478c18fa18bfd518d2ffcf3c2956 [1,1,0,0,0,0|1,0,0]=3 2300 B14R1.26 Cc1cccc(c1)CCOCCC#N 6d0d98993c634a6bdc6bff7d5ec4d5d4 [1,1,0,0,0,0|1,0,0]=3 2301 B14R1.26 Cc1cccc(c1)CCOCSC#N 0b2a3570110b0c3f81ca0d284bccab7a [1,1,0,0,0,0|2,0,0]=4 2302 B14R1.26 Cc1cccc(c1)CNCCCC#N 67a1bd5c504928909842a7c056f93c70 [1,1,0,0,0,0|2,0,0]=4 2303 B14R1.26 Cc1cccc(c1)COCCCC#N 57da5df003071d4fb57aa9ccfdf5c5c7 [1,1,0,0,0,0|2,0,0]=4 2304 B14R1.26 Cc1cccc(c1)NCCCCC#N c2c4a2d8fad3308b4e5964869312f695 [1,1,0,0,0,0|2,0,0]=4 2305 B14R1.26 Cc1cccc(c1)OCCCCC#N ad67eca8d788edccac4eca7149b039b0 [1,1,0,0,0,0|2,0,0]=4 2306 B14R1.26 Cc1cccc(n1)CCNCCC#N 5f74d4f800150425b82b25b7c63879bb [1,1,0,0,0,0|1,0,0]=3 2307 B14R1.26 Cc1cccc(n1)CCNCSC#N 8be27cf4d33aaf7babb230c6556212ed [1,1,0,0,0,0|2,0,0]=4 2308 B14R1.26 Cc1cccc(n1)CCOCCC#N e1831a73dd43adbc9b4d851d14b76104 [1,1,0,0,0,0|2,0,0]=4 2309 B14R1.26 ClCCCNCCc1cccc(c1)Br 850730b08e6b37c7dd03c9bd12501af3 [1,1,0,0,0,0|1,0,1]=4 2310 B14R1.26 ClCCCNCCc1cccc(c1)Cl bc8f4f979847221d1d8adfb81b976a72 [1,1,0,0,0,0|1,0,1]=4 2311 B14R1.26 FCCCNCCc1cccc(c1)Br c358c11784ffe242d219352d713f8901 [1,1,0,0,0,0|1,0,1]=4 2312 B14R1.26 FCCCNCCc1cccc(c1)Cl 8181769faff82b8799495efa3e9534cb [1,1,0,0,0,0|1,0,1]=4 2313 B14R1.26 FCCCNCCc1cccc(c1)F 488bf1bb3c1f2be849464674b981102f [1,1,0,0,0,0|1,0,1]=4 2314 B14R1.26 FCCCNCCc1cccc(c1)I 4e102b91fd7aadff084043fc1a10a504 [1,1,0,0,0,0|1,0,1]=4 2315 B14R1.26 Fc1cccc(c1)CCNCCCCl 5a69d6350138e395c436e2f019bd5728 [1,1,0,0,0,0|1,0,1]=4 2316 B14R1.26 Fc1cccc(c1)CCNCCCS 0aefca790e69f7caf61f2d5e676b9c9b [1,1,0,0,0,0|1,0,1]=4 2317 B14R1.26 N#CCCCCNc1cccc(c1)Br ee7840a3fa969bebed8eee9a56bbece5 [1,1,0,0,0,0|2,0,0]=4 2318 B14R1.26 N#CCCCCNc1cccc(c1)Cl 326f1acc7a47aa4ad3b99a8920bea444 [1,1,0,0,0,0|2,0,0]=4 2319 B14R1.26 N#CCCCCNc1cccc(c1)F 41b02512ecbfb7c8e246d755994f7cc3 [1,1,0,0,0,0|2,0,0]=4 2320 B14R1.26 N#CCCCCNc1cccc(c1)I 52ccaf3381f93f8c35a6f8cc91996274 [1,1,0,0,0,0|2,0,0]=4 2321 B14R1.26 N#CCCCCNc1cccc(c1)S aaff628894abf4915535f75388e7fdfc [1,1,0,0,0,0|2,0,0]=4 2322 B14R1.26 N#CCCCCOc1cccc(c1)Br 105472d88e86be55afef86cf7764e427 [1,1,0,0,0,0|2,0,0]=4 2323 B14R1.26 N#CCCCCOc1cccc(c1)Cl b645499d47a1063f4c368554d6ae1040 [1,1,0,0,0,0|2,0,0]=4 2324 B14R1.26 N#CCCCCOc1cccc(c1)F fea67c28851406dae0d5b9903445fb33 [1,1,0,0,0,0|2,0,0]=4 2325 B14R1.26 N#CCCCCOc1cccc(c1)I b1960cc464d80387d7b4d420d0ed7212 [1,1,0,0,0,0|2,0,0]=4 2326 B14R1.26 N#CCCCCOc1cccc(c1)S 0bdbc727abb3b4c4bf211a973642e55e [1,1,0,0,0,0|2,0,0]=4 2327 B14R1.26 N#CCCCNCc1cccc(c1)Br fe42e427a134c99a418706c91f0ab6ce [1,1,0,0,0,0|2,0,0]=4 2328 B14R1.26 N#CCCCNCc1cccc(c1)Cl 5f5caa9f051baf3cd84e41470a177291 [1,1,0,0,0,0|2,0,0]=4 2329 B14R1.26 N#CCCCNCc1cccc(c1)F 2721aa1743af7a0fea7d89cfc188a3cf [1,1,0,0,0,0|2,0,0]=4 2330 B14R1.26 N#CCCCNCc1cccc(c1)I 891f4a920b5dc63fdac750ffaf775f45 [1,1,0,0,0,0|2,0,0]=4 2331 B14R1.26 N#CCCCOCc1cccc(c1)Br b6b337945954316acf58cd915f54b0ea [1,1,0,0,0,0|2,0,0]=4 2332 B14R1.26 N#CCCCOCc1cccc(c1)Cl 952a3a27167899ea7d3317d597ef248b [1,1,0,0,0,0|2,0,0]=4 2333 B14R1.26 N#CCCCOCc1cccc(c1)F ce7e686450797e162a263172ba4a2a2a [1,1,0,0,0,0|2,0,0]=4 2334 B14R1.26 N#CCCCOCc1cccc(c1)I 5408f08ffe657d4ded50a605c3cf22f2 [1,1,0,0,0,0|2,0,0]=4 2335 B14R1.26 N#CCCNCCc1cccc(c1)Br 875382bf1720f5926e261485a96a7638 [1,1,0,0,0,0|0,0,0]=2 2336 B14R1.26 N#CCCNCCc1cccc(c1)Cl 7968fdf1e594f77d3d6a7f26ca5c25fd [1,1,0,0,0,0|0,0,0]=2 2337 B14R1.26 N#CCCNCCc1cccc(c1)F 4f65bc2242be6827a928c4aab63c26f0 [1,1,0,0,0,0|0,0,0]=2 2338 B14R1.26 N#CCCNCCc1cccc(c1)I 0a68626019ea204677cd37a872b74191 [1,1,0,0,0,0|0,0,0]=2 2339 B14R1.26 N#CCCNCCc1cncc(c1)F 2546df2ff99117806f753cc79d203f69 [1,1,0,0,0,0|1,0,0]=3 2340 B14R1.26 N#CCCNCCc1cncc(n1)Cl 8c4ff80113ef77e0845a974a56095828 [1,1,0,0,0,0|2,0,0]=4 2341 B14R1.26 N#CCCOCCc1cc(ccn1)Br 9689c5b01b4b8643a779015c58c301e4 [1,1,0,0,0,0|2,0,0]=4 2342 B14R1.26 N#CCCOCCc1cccc(c1)Br 5780085c8cef4db1b91ffc0384327581 [1,1,0,0,0,0|1,0,0]=3 2343 B14R1.26 N#CCCOCCc1cccc(c1)Cl 66f8f456d9fec947d5232b06256df3fe [1,1,0,0,0,0|1,0,0]=3 2344 B14R1.26 N#CCCOCCc1cccc(c1)F 6e21ccd8a583ea9e702c53125ab5e1c6 [1,1,0,0,0,0|1,0,0]=3 2345 B14R1.26 N#CCCOCCc1cccc(c1)I dea639e3f66b51d1018710aba03e1098 [1,1,0,0,0,0|1,0,0]=3 2346 B14R1.26 N#CCCOCCc1cccc(n1)Br 6d41c982c59a8eb94c3f8565763e4a06 [1,1,0,0,0,0|2,0,0]=4 2347 B14R1.26 N#CCCOCCc1cccc(n1)Cl 24c094a8842f9a9ba4b3eeedce723846 [1,1,0,0,0,0|2,0,0]=4 2348 B14R1.26 N#CCCOCCc1ccnc(c1)Cl eb77e3d9f18f50eb963ea28921805dc3 [1,1,0,0,0,0|2,0,0]=4 2349 B14R1.26 N#CCCOCCc1cncc(c1)F cba5ba146b9f3bbe6279d1b13a7d9376 [1,1,0,0,0,0|2,0,0]=4 2350 B14R1.26 N#CCNCCCc1cccc(c1)Br 18540d74ef3966a73d30c1da842f588d [1,1,0,0,0,0|2,0,0]=4 2351 B14R1.26 N#CCNCCCc1cccc(c1)Cl 549d4a7be16fc81a2e231386080d9b45 [1,1,0,0,0,0|2,0,0]=4 2352 B14R1.26 N#CCNCCCc1cccc(c1)F 60280492a2214745b2ad440e73293692 [1,1,0,0,0,0|2,0,0]=4 2353 B14R1.26 N#CCOCCCc1cccc(c1)Br 02bffef92e5251d61831a267897158ce [1,1,0,0,0,0|2,0,0]=4 2354 B14R1.26 N#CCOCCCc1cccc(c1)Cl 8a8ba984c5451977ecec1c5cde3bf019 [1,1,0,0,0,0|2,0,0]=4 2355 B14R1.26 N#CCOCCCc1cccc(c1)F 9bebd91076ca42c3148b2a9d787956f0 [1,1,0,0,0,0|2,0,0]=4 2356 B14R1.26 N#CNCCCCc1cccc(c1)Br 3ae5c454f044b3b9dd062f84d4a15fc1 [1,1,0,0,0,0|2,0,0]=4 2357 B14R1.26 N#CNCCCCc1cccc(c1)Cl acb5e8426bd1d4028296c6e3f80252c9 [1,1,0,0,0,0|2,0,0]=4 2358 B14R1.26 N#CNCCCCc1cccc(c1)F fcd40cf2f5bce5b9a947124a5d3e167a [1,1,0,0,0,0|2,0,0]=4 2359 B14R1.26 N#CSCNCCc1cccc(c1)Br 667543b35ee903efbe8505e6d7a2fe9d [1,1,0,0,0,0|1,0,0]=3 2360 B14R1.26 N#CSCNCCc1cccc(c1)Cl fd75b1628f0255d455eb30d9001bc943 [1,1,0,0,0,0|1,0,0]=3 2361 B14R1.26 N#CSCNCCc1cccc(c1)F f23084f6100643a885a643b25eb823c2 [1,1,0,0,0,0|1,0,0]=3 2362 B14R1.26 N#CSCNCCc1cccc(c1)I 90694d1f5a4907f16cddcb5c6820c2ed [1,1,0,0,0,0|1,0,0]=3 2363 B14R1.26 N#CSCNCCc1cncc(c1)F 0c4cbc329df6580055f109a1f6394630 [1,1,0,0,0,0|2,0,0]=4 2364 B14R1.26 N#CSCOCCc1cccc(c1)Br 241e1df66349e46a67df86cb2e63ee82 [1,1,0,0,0,0|2,0,0]=4 2365 B14R1.26 N#CSCOCCc1cccc(c1)Cl ee26856e353c20fbc6dc32661ff69b8f [1,1,0,0,0,0|2,0,0]=4 2366 B14R1.26 N#CSCOCCc1cccc(c1)F 00b45a7e960496ec70d14642894443eb [1,1,0,0,0,0|2,0,0]=4 2367 B14R1.26 N#CSCOCCc1cccc(c1)I ee990b173600725e14c51ad82b3fd38a [1,1,0,0,0,0|2,0,0]=4 2368 B14R1.26 NOCCNCCc1cccc(c1)Br f2ec8b15d9d51d0617b34bd86b26d140 [1,1,0,0,0,0|1,0,1]=4 2369 B14R1.26 NOCCNCCc1cccc(c1)Cl e03503996697f6bce801c5b28cb60b49 [1,1,0,0,0,0|1,0,1]=4 2370 B14R1.26 NOCCNCCc1cccc(c1)F b0eadc3b1410cc4b3a55b69cc92f12cb [1,1,0,0,0,0|1,0,1]=4 2371 B14R1.26 O=CCCNCCc1cccc(c1)Br 605a682a3d7fb96a3c43023e9be0e9aa [1,1,0,0,0,0|1,0,1]=4 2372 B14R1.26 O=CCCNCCc1cccc(c1)Cl cc16cfc54bcd3a7c46501db02d5bfb16 [1,1,0,0,0,0|1,0,1]=4 2373 B14R1.26 O=CCCNCCc1cccc(c1)F b6c4bf80fa8d09b1cc26514e8aa50d3f [1,1,0,0,0,0|1,0,1]=4 2374 B14R1.26 O=CCCNCCc1cccc(c1)I ecadf86a5075497ea612e8e12fe29924 [1,1,0,0,0,0|1,0,1]=4 2375 B14R1.26 OCCCNCCc1cccc(c1)Br f3c2bfa0cd72f60026b2b0479ef97a30 [1,1,0,0,0,0|1,0,1]=4 2376 B14R1.26 OCCCNCCc1cccc(c1)Cl f97e2e6e7714beb1a4b14ada3bcbb67a [1,1,0,0,0,0|1,0,1]=4 2377 B14R1.26 OCCCNCCc1cccc(c1)F 5dea3a73bc3fbe030e54f15bd5ecf578 [1,1,0,0,0,0|1,0,1]=4 2378 B14R1.26 OCCCNCCc1cccc(c1)I a4d37d74efe59dc00777c3a6a5253460 [1,1,0,0,0,0|1,0,1]=4 2379 B14R1.26 SCCCNCCc1cccc(c1)Br 2771ef5fedf51dcef3493348a3702c19 [1,1,0,0,0,0|1,0,1]=4 2380 B14R1.26 SCCCNCCc1cccc(c1)Cl 77d34a0196005f827ed4c3f1ef1ea41b [1,1,0,0,0,0|1,0,1]=4 2381 B14R1.26 SCCCNCCc1cccc(c1)I 02a83ec632a9d094c9e559b701806a61 [1,1,0,0,0,0|1,0,1]=4 2382 B14R1.38 C#CCCNCC(=O)c1ccccc1 2ad190f6dcea69778a5d02863f57ae12 [1,1,0,0,0,0|1,0,1]=4 2383 B14R1.38 C#CCCNCC(C)c1ccccc1 3a785402c4762ec3ecc0505cc05d858a [1,1,0,0,0,0|1,0,0]=3 2384 B14R1.38 C#CCCNCC(F)c1ccccc1 e28f20d73ae87ac674b2858a5f8294d2 [1,1,0,0,0,0|1,0,0]=3 2385 B14R1.38 C#CCCNCC(O)c1ccccc1 cde4dd4de29b9f03e49849bc07706cc0 [1,1,0,0,0,0|1,0,0]=3 2386 B14R1.38 C#CCCNCC(O)c1ccccn1 77ad25075840169d8cf8d1dd8f38d6ec [1,1,0,0,0,0|2,0,0]=4 2387 B14R1.38 C#CCCNCC(O)c1cccnc1 447bb585ace3b7c48ef285010f854b88 [1,1,0,0,0,0|2,0,0]=4 2388 B14R1.38 C#CCCNCC(O)c1ccncc1 344fa691eeb2216ba424dbcc64a70502 [1,1,0,0,0,0|2,0,0]=4 2389 B14R1.38 C#CCCNC[C@@H](C)c1ccccc1 23cc102b1fea9a87b8101242314e6dcf [1,1,0,0,0,0|1,0,0]=3 2390 B14R1.38 C#CCCNC[C@@H](O)c1ccccc1 37c319d8d69ad615155321ac7bb800be [1,1,0,0,0,0|1,0,0]=3 2391 B14R1.38 C#CCCNC[C@H](C)c1ccccc1 505ed59d14cdc6a0d7787fe650bc6f48 [1,1,0,0,0,0|1,0,0]=3 2392 B14R1.38 C#CCCNC[C@H](O)c1ccccc1 5e9f5202d5dae5bbdd1501686aae55f5 [1,1,0,0,0,0|1,0,0]=3 2393 B14R1.38 C#CCCOCC(C)c1ccccc1 5e64e50815eb437b344a9132bcf6b7dd [1,1,0,0,0,0|2,0,0]=4 2394 B14R1.38 C#CCCOCC(F)c1ccccc1 c5d13aaf448b255f169fe73df0ebc470 [1,1,0,0,0,0|2,0,0]=4 2395 B14R1.38 C#CCCOC[C@@H](C)c1ccccc1 2dbdef906a49700a5cb098539e0b5245 [1,1,0,0,0,0|2,0,0]=4 2396 B14R1.38 C#CCCOC[C@H](C)c1ccccc1 55af105664043b9a5db2125c27d09dc3 [1,1,0,0,0,0|2,0,0]=4 2397 B14R1.38 C=C(COCCC#N)c1ccccc1 27fd3458a2903bf069d204ab18e731b1 [1,1,0,0,0,0|1,0,1]=4 2398 B14R1.38 C=CCCNCC(C)c1ccccc1 e12165873fefebd77e3002329b7085bf [1,1,0,0,0,0|1,0,1]=4 2399 B14R1.38 C=CCCNCC(F)c1ccccc1 92c4aa03930b5d603dc365f979d14275 [1,1,0,0,0,0|1,0,1]=4 2400 B14R1.38 C=CCCNCC(O)c1ccccc1 0de005ebf9ca4975328e157899a7c2c0 [1,1,0,0,0,0|1,0,1]=4 2401 B14R1.38 C=CCCNC[C@@H](C)c1ccccc1 d676ab8278a53fa6ee0bb1baca345b00 [1,1,0,0,0,0|1,0,1]=4 2402 B14R1.38 C=CCCNC[C@@H](O)c1ccccc1 a94feb1157c410b02174ea22ebc89f8d [1,1,0,0,0,0|1,0,1]=4 2403 B14R1.38 C=CCCNC[C@H](C)c1ccccc1 4a0aadfb302904bcf8a7ae1db10b72ca [1,1,0,0,0,0|1,0,1]=4 2404 B14R1.38 C=CCCNC[C@H](O)c1ccccc1 a91a21e75df13cab028ed2a180f80d0f [1,1,0,0,0,0|1,0,1]=4 2405 B14R1.38 CC#CCNCC(C)c1ccccc1 ad4dac1b388c1973a93338e739a567e0 [1,1,0,0,0,0|1,0,1]=4 2406 B14R1.38 CC#CCNCC(F)c1ccccc1 4c88785325bcaba8fcf51d67eb7ed5f1 [1,1,0,0,0,0|1,0,1]=4 2407 B14R1.38 CC#CCNC[C@@H](C)c1ccccc1 83dabeb4c0f76fef69fa7df900ff7033 [1,1,0,0,0,0|1,0,1]=4 2408 B14R1.38 CC(CCNCC#N)c1ccccc1 6f3215e29714153f1bb40e879464d296 [1,1,0,0,0,0|2,0,0]=4 2409 B14R1.38 CC(CCOCC#N)c1ccccc1 0b1e57634eae13df005c38a36dd9760c [1,1,0,0,0,0|2,0,0]=4 2410 B14R1.38 CC(CNCCC#N)c1ccccc1 7b17fcc3bbd89864269703b740c35c1f [1,1,0,0,0,0|0,0,0]=2 2411 B14R1.38 CC(CNCCC=O)c1ccccc1 379a31dded47fe812f72bbaa2ad7a24d [1,1,0,0,0,0|1,0,1]=4 2412 B14R1.38 CC(CNCCCCl)c1ccccc1 be2f1ef1f91eed49327dad42731301da [1,1,0,0,0,0|1,0,1]=4 2413 B14R1.38 CC(CNCCCF)c1ccccc1 b6fc7564e9a21046ad8a55e2c611a1db [1,1,0,0,0,0|1,0,1]=4 2414 B14R1.38 CC(CNCCCO)c1ccccc1 fc63208499099b4151347c7420a4d2a4 [1,1,0,0,0,0|1,0,1]=4 2415 B14R1.38 CC(CNCCCS)c1ccccc1 f3c1c23cb8665fc387d0cf82f5155491 [1,1,0,0,0,0|1,0,1]=4 2416 B14R1.38 CC(CNCCON)c1ccccc1 cc79e0a0450e54a888eb9fbb945cf129 [1,1,0,0,0,0|1,0,1]=4 2417 B14R1.38 CC(COCCC#N)c1ccccc1 1e40428f9de3d419223fcf6174ca8654 [1,1,0,0,0,0|1,0,0]=3 2418 B14R1.38 CC(COCCC#N)c1ccccn1 5bbbf62ba6f5ce23e72830d8dbe25e48 [1,1,0,0,0,0|2,0,0]=4 2419 B14R1.38 CC(COCSC#N)c1ccccc1 7dc45c61aeafa53caaa38f4bddaab6ea [1,1,0,0,0,0|2,0,0]=4 2420 B14R1.38 CC(NCCCC#N)c1ccccc1 df53ddb0b41ff898a3951f6f73ca8fa3 [1,1,0,0,0,0|2,0,0]=4 2421 B14R1.38 CC(OCCCC#N)c1ccccc1 cc48963a8ecb4cd538bcb2a73a0f7368 [1,1,0,0,0,0|2,0,0]=4 2422 B14R1.38 CCCCNCC(C)c1ccccc1 cfa609dee845e0356199bb1c31e52484 [1,1,0,0,0,0|1,0,1]=4 2423 B14R1.38 CCCCNCC(F)c1ccccc1 f922d874e92f88510543fb4f9aef7213 [1,1,0,0,0,0|1,0,1]=4 2424 B14R1.38 CCCCNCC(O)c1ccccc1 5020ed9db8eb324e10664856874df2a3 [1,1,0,0,0,0|1,0,1]=4 2425 B14R1.38 CCCCNC[C@@H](C)c1ccccc1 2a74cfffb342a19042f4589a5d211fd9 [1,1,0,0,0,0|1,0,1]=4 2426 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 b5339fd99b12f0a94c1877650e398da1 [1,1,0,0,0,0|1,0,1]=4 2427 B14R1.38 CCCCNC[C@H](C)c1ccccc1 c970c03b64defe0043b00b26d3a8cb5c [1,1,0,0,0,0|1,0,1]=4 2428 B14R1.38 CCCCNC[C@H](O)c1ccccc1 7a874363217635c5aae8e9e7f051ba74 [1,1,0,0,0,0|1,0,1]=4 2429 B14R1.38 COCCNCC(C)c1ccccc1 ad1548556ab6db7c755cce67ee49cd45 [1,1,0,0,0,0|2,0,0]=4 2430 B14R1.38 COCCNCC(F)c1ccccc1 104343500c4b02a747e6c4e1b3f163d9 [1,1,0,0,0,0|2,0,0]=4 2431 B14R1.38 COCCNCC(O)c1ccccc1 de1dd8b814764188cae3fe43f2b59e0b [1,1,0,0,0,0|2,0,0]=4 2432 B14R1.38 COCCNC[C@@H](C)c1ccccc1 4d7da79418ecb40465089ed0fe692899 [1,1,0,0,0,0|2,0,0]=4 2433 B14R1.38 COCCNC[C@@H](O)c1ccccc1 18de8f84c032d1ea9c07ca84af191519 [1,1,0,0,0,0|2,0,0]=4 2434 B14R1.38 COCCNC[C@H](C)c1ccccc1 87546da2f822ac2b769153a3a2e47924 [1,1,0,0,0,0|2,0,0]=4 2435 B14R1.38 COCCNC[C@H](O)c1ccccc1 3310bbe6a738b26ae8ebd5ff3ba97b8b [1,1,0,0,0,0|2,0,0]=4 2436 B14R1.38 CSCCNCC(C)c1ccccc1 b759ce7087540733e07649eae2f70201 [1,1,0,0,0,0|2,0,0]=4 2437 B14R1.38 CSCCNCC(F)c1ccccc1 da17dbf5b210feaa3670d1f3683908a8 [1,1,0,0,0,0|2,0,0]=4 2438 B14R1.38 CSCCNCC(O)c1ccccc1 f1834abf2ffe72cb6b99a8ff404d64f5 [1,1,0,0,0,0|2,0,0]=4 2439 B14R1.38 CSCCNC[C@@H](C)c1ccccc1 ff46c27f2c4e6bfb56aebdc7279946f7 [1,1,0,0,0,0|2,0,0]=4 2440 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 e607a112810f60804947b15d1d6bfd95 [1,1,0,0,0,0|2,0,0]=4 2441 B14R1.38 CSCCNC[C@H](C)c1ccccc1 5da853a12710e64c65ac012f136f36cf [1,1,0,0,0,0|2,0,0]=4 2442 B14R1.38 CSCCNC[C@H](O)c1ccccc1 bfcb241d7361499d7e6f9f205536c894 [1,1,0,0,0,0|2,0,0]=4 2443 B14R1.38 C[C@@H](CNCCC#N)c1ccccc1 cd8b6f7ef56490458ba448a086dc87be [1,1,0,0,0,0|0,0,0]=2 2444 B14R1.38 C[C@@H](CNCCC=O)c1ccccc1 81a0edf0ba120016ee004f8bd02faf73 [1,1,0,0,0,0|1,0,1]=4 2445 B14R1.38 C[C@@H](CNCCCF)c1ccccc1 17a118de877301073c57776887136fa0 [1,1,0,0,0,0|1,0,1]=4 2446 B14R1.38 C[C@@H](CNCCCO)c1ccccc1 5b8d3c6f07fe9a57c6d934c62e3dbcc7 [1,1,0,0,0,0|1,0,1]=4 2447 B14R1.38 C[C@@H](CNCCCS)c1ccccc1 a3ff8b8d5001a15491e244980b6c03b8 [1,1,0,0,0,0|1,0,1]=4 2448 B14R1.38 C[C@@H](COCCC#N)c1ccccc1 508aae63fcddd6356b3dfa09b3f7e874 [1,1,0,0,0,0|1,0,0]=3 2449 B14R1.38 C[C@@H](COCSC#N)c1ccccc1 ccf649a395ac575c47efd0fa8baa8a3c [1,1,0,0,0,0|2,0,0]=4 2450 B14R1.38 C[C@@H](NCCCC#N)c1ccccc1 7be2a2ffa66d9a0c234b6eebdbb426ae [1,1,0,0,0,0|2,0,0]=4 2451 B14R1.38 C[C@@H](OCCCC#N)c1ccccc1 e66cc37821a9bc65ef1c00eebaf8d13b [1,1,0,0,0,0|2,0,0]=4 2452 B14R1.38 C[C@H](CNCCC#N)c1ccccc1 a84012de1ce6c028ff3ad52726da8f18 [1,1,0,0,0,0|0,0,0]=2 2453 B14R1.38 C[C@H](CNCCC=O)c1ccccc1 8c358e2977b05c998245698c70f4c695 [1,1,0,0,0,0|1,0,1]=4 2454 B14R1.38 C[C@H](CNCCCCl)c1ccccc1 bd7213f7c089dd93a8ae44582af8ae91 [1,1,0,0,0,0|1,0,1]=4 2455 B14R1.38 C[C@H](CNCCCF)c1ccccc1 9de84c32fb5ddf5a779e6e0bcd62d295 [1,1,0,0,0,0|1,0,1]=4 2456 B14R1.38 C[C@H](CNCCCO)c1ccccc1 836b20969502e380292c578fb4ce2516 [1,1,0,0,0,0|1,0,1]=4 2457 B14R1.38 C[C@H](CNCCCS)c1ccccc1 ada893918d0299bec4a72611a0f24a7d [1,1,0,0,0,0|1,0,1]=4 2458 B14R1.38 C[C@H](CNCCON)c1ccccc1 411f5d58fb592087098dc4311b00af83 [1,1,0,0,0,0|1,0,1]=4 2459 B14R1.38 C[C@H](COCCC#N)c1ccccc1 b3051c9e6a6b55a95cfdb288e59ef29b [1,1,0,0,0,0|1,0,0]=3 2460 B14R1.38 C[C@H](COCSC#N)c1ccccc1 40fbadb09ff03f37ea5af3bf49446054 [1,1,0,0,0,0|2,0,0]=4 2461 B14R1.38 C[C@H](NCCCC#N)c1ccccc1 5bf4a85d3064a3ca67098892e5e48554 [1,1,0,0,0,0|2,0,0]=4 2462 B14R1.38 C[C@H](OCCCC#N)c1ccccc1 17d45a498ac6f073033c6aad185289f5 [1,1,0,0,0,0|2,0,0]=4 2463 B14R1.38 FC(CNCCCCl)c1ccccc1 9b9451ad6bc8ac15aba42a07e2472f10 [1,1,0,0,0,0|1,0,1]=4 2464 B14R1.38 N#CCCNCC(=O)c1ccccc1 b33d8770e254b731d36486b5005578cd [1,1,0,0,0,0|0,0,1]=3 2465 B14R1.38 N#CCCNCC(=O)c1ccccn1 086e494dd10d0bd33d9da885344a469b [1,1,0,0,0,0|1,0,1]=4 2466 B14R1.38 N#CCCNCC(=O)c1cccnc1 6c2407a8cc092b9de1ef6b34829449ec [1,1,0,0,0,0|1,0,1]=4 2467 B14R1.38 N#CCCNCC(F)c1ccccc1 6754e006e4e7a19b6d8aa0556735af7e [1,1,0,0,0,0|0,0,0]=2 2468 B14R1.38 N#CCCNCC(O)c1ccccc1 10943c510d346d0f330d77b507121921 [1,1,0,0,0,0|0,0,0]=2 2469 B14R1.38 N#CCCNCC(O)c1ccccn1 2d78f72d52941823c2e43d5f8189c917 [1,1,0,0,0,0|1,0,0]=3 2470 B14R1.38 N#CCCNCC(O)c1cccnc1 9b8df8575396840629e6744130d473f3 [1,1,0,0,0,0|1,0,0]=3 2471 B14R1.38 N#CCCNCC(O)c1ccncc1 014f831f6fd2654ea97823aa5991c384 [1,1,0,0,0,0|1,0,0]=3 2472 B14R1.38 N#CCCNCC(O)c1cnccn1 750433848a0a6dd053d3fa7881a4dd07 [1,1,0,0,0,0|2,0,0]=4 2473 B14R1.38 N#CCCNC[C@@H](O)c1ccccc1 7bb94b429fc5b230576ed9ccad5ef871 [1,1,0,0,0,0|0,0,0]=2 2474 B14R1.38 N#CCCNC[C@H](O)c1ccccc1 933159f288ee55af7d8ed8efc7c0a33d [1,1,0,0,0,0|0,0,0]=2 2475 B14R1.38 N#CCCOCC(=O)c1ccccc1 75289523bbfaf41ff551c1b652d24aad [1,1,0,0,0,0|1,0,1]=4 2476 B14R1.38 N#CCCOCC(F)c1ccccc1 8f43068011dc52fd0b7748574d0efc57 [1,1,0,0,0,0|1,0,0]=3 2477 B14R1.38 N#CCNCCC(O)c1ccccc1 9f5bce72eded262923eb5fbbc47aa6c3 [1,1,0,0,0,0|2,0,0]=4 2478 B14R1.38 N#CCNCC[C@@H](O)c1ccccc1 6eab38f5be176b7103ab0e82ecb34ef4 [1,1,0,0,0,0|2,0,0]=4 2479 B14R1.38 N#CCNCC[C@H](O)c1ccccc1 e03ca7ba71b2479b34d3111c461ef55c [1,1,0,0,0,0|2,0,0]=4 2480 B14R1.38 N#CSCNCC(=O)c1ccccc1 7c24da786cf4fe4359a863f4d0251ad8 [1,1,0,0,0,0|1,0,1]=4 2481 B14R1.38 N#CSCNCC(O)c1ccccn1 bd0a140adee58f1d938e9c00d30c3333 [1,1,0,0,0,0|2,0,0]=4 2482 B14R1.38 N#CSCNCC(O)c1cccnc1 c73bcd8e8eb06ceb4256f0c863c4afab [1,1,0,0,0,0|2,0,0]=4 2483 B14R1.38 N#CSCNCC(O)c1ccncc1 eb7522ea1434cab00f87c6a5db7aeb9b [1,1,0,0,0,0|2,0,0]=4 2484 B14R1.38 NOCCNCC(F)c1ccccc1 c296b62d10c420696d15a8567802dbc0 [1,1,0,0,0,0|1,0,1]=4 2485 B14R1.38 NOCCNCC(O)c1ccccc1 52f2e1daa18104674133d0dfae3e0b4c [1,1,0,0,0,0|1,0,1]=4 2486 B14R1.38 O=CCCNCC(O)c1ccccc1 f2b14090a813d5a58586461168be8b80 [1,1,0,0,0,0|1,0,1]=4 2487 B14R1.38 O=CCCNC[C@@H](O)c1ccccc1 39320b0501e73dede21afd0381a02122 [1,1,0,0,0,0|1,0,1]=4 2488 B14R1.38 O=CCCNC[C@H](O)c1ccccc1 d8f8565484e5cf5f8bc118ba94da6c63 [1,1,0,0,0,0|1,0,1]=4 2489 B14R1.38 OC(CNCCCCl)c1ccccc1 ecb264fabd18db1c6a454df591056d35 [1,1,0,0,0,0|1,0,1]=4 2490 B14R1.38 OC(CNCCCF)c1ccccc1 9c5217e04b36bdd85cdee77a2541ee30 [1,1,0,0,0,0|1,0,1]=4 2491 B14R1.38 OCCCNCC(F)c1ccccc1 8902bef46b15a4343ca6e28321bad8c1 [1,1,0,0,0,0|1,0,1]=4 2492 B14R1.38 OCCCNCC(O)c1ccccc1 aedd9cac9ab91d08593990033485d744 [1,1,0,0,0,0|1,0,1]=4 2493 B14R1.38 OCCCNC[C@@H](O)c1ccccc1 071178f34d237ea56ee9da9ecce1662a [1,1,0,0,0,0|1,0,1]=4 2494 B14R1.38 OCCCNC[C@H](O)c1ccccc1 957f3261ee4b5ab2aeb66bb1ed93acad [1,1,0,0,0,0|1,0,1]=4 2495 B14R1.38 O[C@@H](CNCCCF)c1ccccc1 acb4130ba6503d881cd85ca08e1b68ca [1,1,0,0,0,0|1,0,1]=4 2496 B14R1.38 O[C@H](CNCCCF)c1ccccc1 9a51c4714ee62e1b95b3f02e541619fe [1,1,0,0,0,0|1,0,1]=4 2497 B14R1.123 C#CCCCCCNc1ccccc1 90a5326881b1232b65610098a6cccd01 [1,1,0,0,0,0|2,0,0]=4 2498 B14R1.123 C#CCCCCNCc1ccccc1 9b948cbb36714994589566b57fab22cd [1,1,0,0,0,0|2,0,0]=4 2499 B14R1.123 C#CCCCCOCc1ccccc1 57b8e9ed5e61cabb1e0b8943cbf90f26 [1,1,0,0,0,0|2,0,0]=4 2500 B14R1.123 C#CCCCNCCc1ccccc1 7cbd1c6f5eb22c3c4d4561e8c5347df8 [1,1,0,0,0,0|1,0,0]=3 2501 B14R1.123 C#CCCCNCCc1ccccn1 f5b6ca0eef75a656f87f25bb23ebc067 [1,1,0,0,0,0|2,0,0]=4 2502 B14R1.123 C#CCCCNCCc1cccnc1 ee505626d2430479dbfa4a0686f03752 [1,1,0,0,0,0|2,0,0]=4 2503 B14R1.123 C#CCCCNCCc1ccncc1 d8b6ab4eff6660a4b5418cc99587faa7 [1,1,0,0,0,0|2,0,0]=4 2504 B14R1.123 C#CCCCOCCc1ccccc1 e7a2b59ecec4d2f2566126edc0822442 [1,1,0,0,0,0|2,0,0]=4 2505 B14R1.123 C#CCCNC/C=C/c1ccccc1 0130d99c85d96cecf1f4463dfabfe44b [1,1,0,0,0,0|1,0,1]=4 2506 B14R1.123 C#CCCNCC#Cc1ccccc1 1e37fec243ba71c5356df83021188296 [1,1,0,0,0,0|1,0,1]=4 2507 B14R1.123 C#CCCNCCCc1ccccc1 2d571113ee48d614bca69386aaffe969 [1,1,0,0,0,0|1,0,0]=3 2508 B14R1.123 C#CCCNCCCc1ccccn1 2919115af2ed24d1c70d9d088542097d [1,1,0,0,0,0|2,0,0]=4 2509 B14R1.123 C#CCCNCCCc1cccnc1 aab7f868b896a0272b5dfbd9cc7e5544 [1,1,0,0,0,0|2,0,0]=4 2510 B14R1.123 C#CCCNCCCc1ccncc1 305ca0ab999b0def01f95b6cc394f632 [1,1,0,0,0,0|2,0,0]=4 2511 B14R1.123 C#CCCNCCOc1ccccc1 48af69dd3ab08ca0cb2aca94000b803e [1,1,0,0,0,0|1,0,0]=3 2512 B14R1.123 C#CCCNCCOc1ccccn1 90c85565584236e630d03abb4fa99d2a [1,1,0,0,0,0|2,0,0]=4 2513 B14R1.123 C#CCCNCCOc1cccnc1 e94a0764f08b398fa8b607c0c4b33ca5 [1,1,0,0,0,0|2,0,0]=4 2514 B14R1.123 C#CCCOCCCc1ccccc1 3359cacd7ae6dd9723455b141f2eaab1 [1,1,0,0,0,0|2,0,0]=4 2515 B14R1.123 C#CCCOCCOc1ccccc1 6aa501aca4263c0150c60ed9fce71f68 [1,1,0,0,0,0|2,0,0]=4 2516 B14R1.123 C#CCCOCCSc1ccccc1 bce3dc86408be867103a46bedb94fa41 [1,1,0,0,0,0|2,0,0]=4 2517 B14R1.123 C#CCCOCSCc1ccccc1 2a5099a48a29adb4cd907677d759bca9 [1,1,0,0,0,0|2,0,0]=4 2518 B14R1.123 C#CCNCCCCc1ccccc1 b339f6fcd58bd36c43bb1bab5c2c6238 [1,1,0,0,0,0|2,0,0]=4 2519 B14R1.123 C#CCOCCCCc1ccccc1 17efd9be4e05b6850ceb15d130284b75 [1,1,0,0,0,0|2,0,0]=4 2520 B14R1.123 C=CCCCNCCc1ccccc1 505bd6214bebf676eae027c7fb4c8b81 [1,1,0,0,0,0|1,0,1]=4 2521 B14R1.123 C=CCCNCCCc1ccccc1 c9831b15e9cb787422a739819fc47eeb [1,1,0,0,0,0|1,0,1]=4 2522 B14R1.123 C=CCCNCCOc1ccccc1 cd692a3bf79a234a6b22fbf21fad28ed [1,1,0,0,0,0|1,0,1]=4 2523 B14R1.123 C=CCCNCCSc1ccccc1 12407733f839f8835851d008866ee2f3 [1,1,0,0,0,0|1,0,1]=4 2524 B14R1.123 C=CCCNCOCc1ccccc1 8bb1162757fe47b8e4540818dedb9659 [1,1,0,0,0,0|1,0,1]=4 2525 B14R1.123 C=CCCNCSCc1ccccc1 a415c3dbb21443d269f3907c92353e2b [1,1,0,0,0,0|1,0,1]=4 2526 B14R1.123 C=COCCNCCc1ccccc1 c32e847ed775a46a5581dfca1a1df185 [1,1,0,0,0,0|1,0,1]=4 2527 B14R1.123 CC#CCCOCCc1ccccc1 2458be5532a8d635e3d7b7fe28a10a08 [1,1,0,0,0,0|2,0,0]=4 2528 B14R1.123 CC#CCNCCCc1ccccc1 b0dabd97cf2814ba6546c7adbba076b7 [1,1,0,0,0,0|1,0,1]=4 2529 B14R1.123 CC#CCNCCOc1ccccc1 5576c8c613a1defe8cf573d4d22f02af [1,1,0,0,0,0|1,0,1]=4 2530 B14R1.123 CCCCCNCCc1ccccc1 cccd913a3cc2366afc1e8883c8fc5f10 [1,1,0,0,0,0|1,0,1]=4 2531 B14R1.123 CCCCNCCCc1ccccc1 db3cadb4bdc5548728d2e379524771ec [1,1,0,0,0,0|1,0,1]=4 2532 B14R1.123 CCCCNCCOc1ccccc1 18f12f5c110e2219b5273154f8b27abb [1,1,0,0,0,0|1,0,1]=4 2533 B14R1.123 CCCCNCOCc1ccccc1 966de4623ef2313127aff52d130a7135 [1,1,0,0,0,0|1,0,1]=4 2534 B14R1.123 CCCCNCSCc1ccccc1 334d6ba422bc2129ddf6d80d90158712 [1,1,0,0,0,0|1,0,1]=4 2535 B14R1.123 CCOCCNCCc1ccccc1 d47da9289f4b264035257444464c6af4 [1,1,0,0,0,0|1,0,1]=4 2536 B14R1.123 CCSCCNCCc1ccccc1 eeda52298ef859be2eb3a1e1ae115ef5 [1,1,0,0,0,0|1,0,1]=4 2537 B14R1.123 COCCCNCCc1ccccc1 da913525766a44fe25b4bee53324bfeb [1,1,0,0,0,0|1,0,1]=4 2538 B14R1.123 COCCNCCCc1ccccc1 a01fea3056953e9a017b1a75e9fdcb80 [1,1,0,0,0,0|2,0,0]=4 2539 B14R1.123 COCCNCCOc1ccccc1 ba042f7e960ece9b4875e083f80e3280 [1,1,0,0,0,0|2,0,0]=4 2540 B14R1.123 COCCNCCSc1ccccc1 69124827428b0c8da0823c7435a97871 [1,1,0,0,0,0|2,0,0]=4 2541 B14R1.123 COCCNCOCc1ccccc1 42b1ae6cdba43f246191effb2bb75b7b [1,1,0,0,0,0|2,0,0]=4 2542 B14R1.123 COCCNCSCc1ccccc1 9680f194ae8990cd3ec70bf66706dcaf [1,1,0,0,0,0|2,0,0]=4 2543 B14R1.123 CSCCCNCCc1ccccc1 cfe32f0669c0e5f8867d542909319ddc [1,1,0,0,0,0|1,0,1]=4 2544 B14R1.123 CSCCNCCCc1ccccc1 e261a43e45fa8ee295a88fe0ce247ed4 [1,1,0,0,0,0|2,0,0]=4 2545 B14R1.123 CSCCNCCOc1ccccc1 ae48e34a4a58f427d0a3a7ec308a569e [1,1,0,0,0,0|2,0,0]=4 2546 B14R1.123 CSCCNCCSc1ccccc1 5d90108189098c368aea50e1e4fa0f3f [1,1,0,0,0,0|2,0,0]=4 2547 B14R1.123 ClCCCCNCCc1ccccc1 6069aaf2bee91b464cbb8e95d0423ce4 [1,1,0,0,0,0|1,0,1]=4 2548 B14R1.123 ClCCCNCCCc1ccccc1 186d1adbe441eaaecabcc159ba1b4795 [1,1,0,0,0,0|1,0,1]=4 2549 B14R1.123 ClCCCNCCOc1ccccc1 21634f16d600d6d328b55780b35fd322 [1,1,0,0,0,0|1,0,1]=4 2550 B14R1.123 ClCCCNCOCc1ccccc1 fa7f15ea3ca25db479be02ffab0398e8 [1,1,0,0,0,0|1,0,1]=4 2551 B14R1.123 ClCCCNCSCc1ccccc1 5ae163d555b5bdf751bade4afe4d2d5a [1,1,0,0,0,0|1,0,1]=4 2552 B14R1.123 FCCCCNCCc1ccccc1 e8a0377bdc0719e66b7ff3512a1cf3a7 [1,1,0,0,0,0|1,0,1]=4 2553 B14R1.123 FCCCNCCCc1ccccc1 f68c23800211223c86fc853d16626df1 [1,1,0,0,0,0|1,0,1]=4 2554 B14R1.123 FCCCNCCOc1ccccc1 a8525ef1366bb720e34f62defbbf167e [1,1,0,0,0,0|1,0,1]=4 2555 B14R1.123 N#CC=CCNCCc1ccccc1 cb2557f78655dc553a961de44960c9e9 [1,1,0,0,0,0|0,0,1]=3 2556 B14R1.123 N#CC=CCNCCc1ccccn1 17d1ef4da89f042c86a04540a5e32aa9 [1,1,0,0,0,0|1,0,1]=4 2557 B14R1.123 N#CC=CCNCCc1cccnc1 97d9b209d88b6d92b54b6460e11034d0 [1,1,0,0,0,0|1,0,1]=4 2558 B14R1.123 N#CC=CCNCCc1ccncc1 82c85bd2cc7e49101752f44235882919 [1,1,0,0,0,0|1,0,1]=4 2559 B14R1.123 N#CC=CCOCCc1ccccc1 32137159dd628496f0abf23a66e75004 [1,1,0,0,0,0|1,0,1]=4 2560 B14R1.123 N#CCCCCCNc1ccccc1 354f99341eda5132d466aec13e1d1874 [1,1,0,0,0,0|1,0,0]=3 2561 B14R1.123 N#CCCCCCNc1ccccn1 7fce81e5a7ab9f7cd6a626909ed5e9d8 [1,1,0,0,0,0|2,0,0]=4 2562 B14R1.123 N#CCCCCCNc1cccnc1 1218257902d5a00d80678ff7577d1627 [1,1,0,0,0,0|2,0,0]=4 2563 B14R1.123 N#CCCCCCNc1ccncc1 39e7e2b1c653212c4316cb0d1baff6f1 [1,1,0,0,0,0|2,0,0]=4 2564 B14R1.123 N#CCCCCCOc1ccccn1 c07ac8f2755c230cb81cc31faa3811e9 [1,1,0,0,0,0|2,0,0]=4 2565 B14R1.123 N#CCCCCCOc1cccnc1 a65ce23351af831cde8c55fddb92585f [1,1,0,0,0,0|2,0,0]=4 2566 B14R1.123 N#CCCCCCOc1ccncc1 f8a229792359fb2dbe238624e2c9e184 [1,1,0,0,0,0|2,0,0]=4 2567 B14R1.123 N#CCCCCNCc1ccccc1 ff0d57c7d68941a0659fa4f548184e3c [1,1,0,0,0,0|1,0,0]=3 2568 B14R1.123 N#CCCCCNCc1ccccn1 eafbbc9e1d0da1a3f62122c640bf7161 [1,1,0,0,0,0|2,0,0]=4 2569 B14R1.123 N#CCCCCNCc1cccnc1 04fc1c9ab91352c22fc33e3a60220d04 [1,1,0,0,0,0|2,0,0]=4 2570 B14R1.123 N#CCCCCNCc1ccncc1 fee6a2df403ad485c3d85b575c24998a [1,1,0,0,0,0|2,0,0]=4 2571 B14R1.123 N#CCCCCOCc1ccccc1 de63952f62f9cf21f010904ee48800af [1,1,0,0,0,0|1,0,0]=3 2572 B14R1.123 N#CCCCCOCc1ccccn1 c00fefbf02d1e196d8ded00b5bb45c52 [1,1,0,0,0,0|2,0,0]=4 2573 B14R1.123 N#CCCCCOCc1cccnc1 9cf7207c870d949f03fe007fdd23c1c0 [1,1,0,0,0,0|2,0,0]=4 2574 B14R1.123 N#CCCCCOCc1ccncc1 6b1c09349d24f9c17719213392b22726 [1,1,0,0,0,0|2,0,0]=4 2575 B14R1.123 N#CCCCNCCc1ccccc1 38dff6975a3d48165676634a375b9e77 [1,1,0,0,0,0|0,0,0]=2 2576 B14R1.123 N#CCCCNCCc1ccccn1 3e897bc991af340dfa813f985d771fae [1,1,0,0,0,0|1,0,0]=3 2577 B14R1.123 N#CCCCNCCc1cccnc1 920f6fb50e66e644185766a1883434c3 [1,1,0,0,0,0|1,0,0]=3 2578 B14R1.123 N#CCCCNCCc1ccncc1 ca5aa032006271881fc7066df87b5a04 [1,1,0,0,0,0|1,0,0]=3 2579 B14R1.123 N#CCCCNCCc1ccncn1 24555a213a49b167fdff7dcf9b2c3d9f [1,1,0,0,0,0|2,0,0]=4 2580 B14R1.123 N#CCCCNCCc1cnccn1 c9e55b087c432c9b93024a5068da931f [1,1,0,0,0,0|2,0,0]=4 2581 B14R1.123 N#CCCCNCCc1ncccn1 4142a2655303f53b919826ccd46edd78 [1,1,0,0,0,0|2,0,0]=4 2582 B14R1.123 N#CCCCOCCc1ccccc1 08053154999defc36b6291feb4aec06b [1,1,0,0,0,0|1,0,0]=3 2583 B14R1.123 N#CCCCOCCc1ccccn1 d6c870e997f6bbb2df853048115cfd78 [1,1,0,0,0,0|2,0,0]=4 2584 B14R1.123 N#CCCCOCCc1cccnc1 bf829f0e0fe9ee65d2c96d2fed50bcf1 [1,1,0,0,0,0|2,0,0]=4 2585 B14R1.123 N#CCCCOCCc1ccncc1 f8f2463c6377755c2f1f77a00b7198ad [1,1,0,0,0,0|2,0,0]=4 2586 B14R1.123 N#CCCNC/C=C/c1ccccc1 1bc2b7f532a1a1dd79e95c898d65306d [1,1,0,0,0,0|0,0,1]=3 2587 B14R1.123 N#CCCNCC#Cc1ccccc1 3d7cacb5bf6271e3bae32c729cbcb2c6 [1,1,0,0,0,0|0,0,1]=3 2588 B14R1.123 N#CCCNCC=Cc1ccccc1 91419916842650f605a98ff4bc4c11fb [1,1,0,0,0,0|0,0,1]=3 2589 B14R1.123 N#CCCNCCCc1ccccc1 9ffdc32bf695bd914cda8a7133f1c3f8 [1,1,0,0,0,0|0,0,0]=2 2590 B14R1.123 N#CCCNCCCc1ccccn1 a5ea8fe1e480270b4993d46bd792ba11 [1,1,0,0,0,0|1,0,0]=3 2591 B14R1.123 N#CCCNCCCc1cccnc1 1f1f4f905e89a7938cdfac3a6968b8c9 [1,1,0,0,0,0|1,0,0]=3 2592 B14R1.123 N#CCCNCCCc1ccncc1 054de72215ccdbeca976bd933feac85f [1,1,0,0,0,0|1,0,0]=3 2593 B14R1.123 N#CCCNCCOc1ccccc1 93ee4a8b50934b13031519b38add31b6 [1,1,0,0,0,0|0,0,0]=2 2594 B14R1.123 N#CCCNCCOc1ccccn1 89150689258003f5d3a49d47af52fa55 [1,1,0,0,0,0|1,0,0]=3 2595 B14R1.123 N#CCCNCCOc1cccnc1 6ceee7ab9d9e6b76bfbb298a51e62aa2 [1,1,0,0,0,0|1,0,0]=3 2596 B14R1.123 N#CCCOC/C=C/c1ccccc1 f327e3c032118bd364c348d48f451610 [1,1,0,0,0,0|1,0,1]=4 2597 B14R1.123 N#CCCOC/C=C\c1ccccc1 687d133c0a9b94a7ffe909ce6b334af0 [1,1,0,0,0,0|1,0,1]=4 2598 B14R1.123 N#CCCOCC#Cc1ccccc1 0c98b5e028c48329add4ce9ae160d491 [1,1,0,0,0,0|1,0,1]=4 2599 B14R1.123 N#CCCOCC=Cc1ccccc1 96db525dd3d8a39adc97088b51d68854 [1,1,0,0,0,0|1,0,1]=4 2600 B14R1.123 N#CCCOCCCc1ccccc1 c5936a0b9dd58bd9c12feea6ae374ded [1,1,0,0,0,0|1,0,0]=3 2601 B14R1.123 N#CCCOCCCc1ccccn1 e31c4da4954df23317413371bfe102ff [1,1,0,0,0,0|2,0,0]=4 2602 B14R1.123 N#CCCOCCCc1cccnc1 ec94b48356a3f73a2b00731d2b286418 [1,1,0,0,0,0|2,0,0]=4 2603 B14R1.123 N#CCCOCCCc1ccncc1 6d1e5a2c663f71a941a2dc5ae081c90d [1,1,0,0,0,0|2,0,0]=4 2604 B14R1.123 N#CCCOCCOc1ccccc1 1eb3f8ba990d46be7f14b2fd86db75b6 [1,1,0,0,0,0|1,0,0]=3 2605 B14R1.123 N#CCCOCCOc1cccnc1 7d7a70839965c884d82faaae8b174b1c [1,1,0,0,0,0|2,0,0]=4 2606 B14R1.123 N#CCCOCCOc1ccncc1 6712aa367c2386bfef9341af61555571 [1,1,0,0,0,0|2,0,0]=4 2607 B14R1.123 N#CCCOCCSc1ccccc1 80c94ee0c0fa9dc9bcf78035fb8bd9ac [1,1,0,0,0,0|1,0,0]=3 2608 B14R1.123 N#CCCOCCSc1ccccn1 14d8d57456fbdeee723d77922ad2b66d [1,1,0,0,0,0|2,0,0]=4 2609 B14R1.123 N#CCCOCSCc1ccccc1 0d1669883c30a7b68e34f4e373675630 [1,1,0,0,0,0|1,0,0]=3 2610 B14R1.123 N#CCNCCCCc1ccccc1 2258f5e061339c8c1cc303f3276f8c80 [1,1,0,0,0,0|1,0,0]=3 2611 B14R1.123 N#CCNCCCCc1ccccn1 ca7dfc19a2e4c3e9e7d50b26474abef9 [1,1,0,0,0,0|2,0,0]=4 2612 B14R1.123 N#CCNCCCCc1ccncc1 7d1335270595165387be23ff4d654f58 [1,1,0,0,0,0|2,0,0]=4 2613 B14R1.123 N#CCNCCCOc1ccccc1 f06ea2fad19ed19c7cb6e88eceb87c71 [1,1,0,0,0,0|2,0,0]=4 2614 B14R1.123 N#CCNCCOCc1ccccc1 3db791b6dcdbf7fd4f4e1588af6dd3ce [1,1,0,0,0,0|2,0,0]=4 2615 B14R1.123 N#CCNCCSCc1ccccc1 8e98331a0279ec354aeb0301ca5b34de [1,1,0,0,0,0|2,0,0]=4 2616 B14R1.123 N#CCOCCCCc1ccccc1 752b5a2026e7e67cc7d0f5a74ee4a4ca [1,1,0,0,0,0|1,0,0]=3 2617 B14R1.123 N#CCOCCCCc1ccccn1 1833ae80382bb3c2e7678949f07061a6 [1,1,0,0,0,0|2,0,0]=4 2618 B14R1.123 N#CCOCCCCc1cccnc1 a7f56b885b367b03a388da45c80f4ebe [1,1,0,0,0,0|2,0,0]=4 2619 B14R1.123 N#CCOCCCCc1ccncc1 81ef430c74ef84517118730d6a851f60 [1,1,0,0,0,0|2,0,0]=4 2620 B14R1.123 N#CCOCCCOc1ccccc1 c8219732e7e39295e0db9a329ca24ff7 [1,1,0,0,0,0|2,0,0]=4 2621 B14R1.123 N#CCOCCCSc1ccccc1 9ca40759dbdba7b66a2921c9469caa93 [1,1,0,0,0,0|2,0,0]=4 2622 B14R1.123 N#CCOCCNCc1ccccc1 07ff2e0b4857a44325b2698a66b4a10e [1,1,0,0,0,0|2,0,0]=4 2623 B14R1.123 N#CCOCCOCc1ccccc1 d55ccdc6367389bdee8a08bb4ba0918a [1,1,0,0,0,0|2,0,0]=4 2624 B14R1.123 N#CCOCCSCc1ccccc1 200bc82eae4eb603d5f7ba7d50df81d8 [1,1,0,0,0,0|2,0,0]=4 2625 B14R1.123 N#CNCCCCCc1ccccc1 4aebb77bbb3c9b1cf3add784c2cd2842 [1,1,0,0,0,0|1,0,0]=3 2626 B14R1.123 N#CNCCCCOc1ccccc1 680a44749dcc79b1a2a45b6dc6372e03 [1,1,0,0,0,0|2,0,0]=4 2627 B14R1.123 N#CNCCCOCc1ccccc1 290f85a9726b29a99b92fd009411c3a9 [1,1,0,0,0,0|2,0,0]=4 2628 B14R1.123 N#CSCNCCCc1ccccn1 fd9a421cdbf7684993fb3ed609bc0967 [1,1,0,0,0,0|2,0,0]=4 2629 B14R1.123 N#CSCNCCCc1cccnc1 9fe08771fbdbd2cb98c6e9bd8ef5f3a3 [1,1,0,0,0,0|2,0,0]=4 2630 B14R1.123 N#CSCNCCCc1ccncc1 146653b9410f92bbdaee5a8310a8770b [1,1,0,0,0,0|2,0,0]=4 2631 B14R1.123 N#CSCNCCOc1ccccc1 311f2afa14c871602f773fb53ae37051 [1,1,0,0,0,0|1,0,0]=3 2632 B14R1.123 N#CSCNCCOc1cccnc1 d5bd6466b05198cdaa1fa9048465fc39 [1,1,0,0,0,0|2,0,0]=4 2633 B14R1.123 N#CSCOCCCc1ccccc1 ab675326e4bb0d52cf00b5d303308ad2 [1,1,0,0,0,0|2,0,0]=4 2634 B14R1.123 N#CSCOCCOc1ccccc1 914c7f06ed6c420b745ad3a99c092e3f [1,1,0,0,0,0|2,0,0]=4 2635 B14R1.123 N#CSCOCCSc1ccccc1 9de91b6b0264082ccdcc8af2f2ec5707 [1,1,0,0,0,0|2,0,0]=4 2636 B14R1.123 NOCCNCCCc1ccccc1 f24d767ff0080f56f6f7ac6d8337ac48 [1,1,0,0,0,0|1,0,1]=4 2637 B14R1.123 NOCCNCCOc1ccccc1 7786d874c4a6a06a7ae75bca653b8ee7 [1,1,0,0,0,0|1,0,1]=4 2638 B14R1.123 NOCCNCOCc1ccccc1 0da869db64b1e8843da4ad8e588e2c59 [1,1,0,0,0,0|1,0,1]=4 2639 B14R1.123 NOCCNCSCc1ccccc1 cc1fd91564d40b2d14c649e1e96ce9c8 [1,1,0,0,0,0|1,0,1]=4 2640 B14R1.123 O=CCCCNCCc1ccccc1 51619b0eb5115ae2da7aa1605a5f7dff [1,1,0,0,0,0|1,0,1]=4 2641 B14R1.123 O=CCCNCCCc1ccccc1 254aa2ab1f493956810eed98b4ba37a6 [1,1,0,0,0,0|1,0,1]=4 2642 B14R1.123 O=CCCNCCOc1ccccc1 9d8049bdde720aaf4b8983e1e3048077 [1,1,0,0,0,0|1,0,1]=4 2643 B14R1.123 O=CCCNCCSc1ccccc1 33bef1dd359308b87d8bb21162484c3e [1,1,0,0,0,0|1,0,1]=4 2644 B14R1.123 OCC#CCNCCc1ccccc1 db7a7aed3e81494237b0bbf9ad2f0455 [1,1,0,0,0,0|1,0,1]=4 2645 B14R1.123 OCCCCNCCc1ccccc1 05c967648027f12aed2cde42f133b5ae [1,1,0,0,0,0|1,0,1]=4 2646 B14R1.123 OCCCNCCCc1ccccc1 09c5bbf1f81a28f50fb6da69a57d44e3 [1,1,0,0,0,0|1,0,1]=4 2647 B14R1.123 OCCCNCCOc1ccccc1 eb683a86cf32d42251e0897e54f2157b [1,1,0,0,0,0|1,0,1]=4 2648 B14R1.123 OCCCNCSCc1ccccc1 4587697ea1df410338973c4f39e5e89e [1,1,0,0,0,0|1,0,1]=4 2649 B14R1.123 SCCCCNCCc1ccccc1 084b735a6c23d394cb21adb9671c2fa6 [1,1,0,0,0,0|1,0,1]=4 2650 B14R1.123 SCCCNCCCc1ccccc1 b8587d9e752531d53e87c921ce626324 [1,1,0,0,0,0|1,0,1]=4 2651 B14R1.123 SCCCNCCOc1ccccc1 1e8258f279aaeca0f1cb87e721ed0e1c [1,1,0,0,0,0|1,0,1]=4 2652 B14R1.156 C#CCCN(C)CCc1ccccc1 844250652f28374e4c1a011ccb39e482 [1,1,0,0,0,0|1,0,0]=3 2653 B14R1.156 C#CCCN(C)CCc1ccccn1 a75face495dedb8b8098ce20df696d3e [1,1,0,0,0,0|2,0,0]=4 2654 B14R1.156 C#CCCN(C)CCc1cccnc1 222c0f2ed692b208699443b8a2316289 [1,1,0,0,0,0|2,0,0]=4 2655 B14R1.156 C#CCCN(C)CCc1ccncc1 e6c0665e41bee58cf9392d5d9052fe40 [1,1,0,0,0,0|2,0,0]=4 2656 B14R1.156 C=CCCN(C)CCc1ccccc1 d7d729df7b7059ae1536666e7e2bc4af [1,1,0,0,0,0|1,0,1]=4 2657 B14R1.156 CC(CCC#N)NCc1ccccc1 2f54ca8ef8a9d0febb45973294164860 [1,1,0,0,0,0|2,0,0]=4 2658 B14R1.156 CC(CCc1ccccc1)NCC#N efaa076a0107e3fb9887d775cbde195e [1,1,0,0,0,0|2,0,0]=4 2659 B14R1.156 CC(CCc1ccccc1)OCC#N 045818c9a9d97392d893eb11ee845b2a [1,1,0,0,0,0|2,0,0]=4 2660 B14R1.156 CCCCN(C)CCc1ccccc1 1696f3a3dc4e8917b86ebd77597b988f [1,1,0,0,0,0|1,0,1]=4 2661 B14R1.156 CN(CCC#N)CCc1ccccc1 3f6c346a41c5edc73a663a7109f69a43 [1,1,0,0,0,0|0,0,0]=2 2662 B14R1.156 CN(CCC#N)CCc1ccccn1 0649a1f10a53bcb6707e835c4c406223 [1,1,0,0,0,0|1,0,0]=3 2663 B14R1.156 CN(CCC#N)CCc1cccnc1 6730b534906abc84bd843fddaad697e0 [1,1,0,0,0,0|1,0,0]=3 2664 B14R1.156 CN(CCC#N)CCc1ccncc1 cb97c7203fe7921eb1b670548e0e4f56 [1,1,0,0,0,0|1,0,0]=3 2665 B14R1.156 CN(CCC=O)CCc1ccccc1 355f522019877440080f2d605ea1a23f [1,1,0,0,0,0|1,0,1]=4 2666 B14R1.156 CN(CCCF)CCc1ccccc1 f3a4558fe72e94788442330d90ab958a [1,1,0,0,0,0|1,0,1]=4 2667 B14R1.156 CN(CCCO)CCc1ccccc1 f58911388adabe8822f5cb65e730fb66 [1,1,0,0,0,0|1,0,1]=4 2668 B14R1.156 CN(CCCS)CCc1ccccc1 923fcd16cf4107c7aa75f52f48fd37c6 [1,1,0,0,0,0|1,0,1]=4 2669 B14R1.156 CN(CCON)CCc1ccccc1 3f14b6695b0367896e9865c3064f9928 [1,1,0,0,0,0|1,0,1]=4 2670 B14R1.156 COCCN(C)CCc1ccccc1 64a6d15e3ae66dc3fda64b801bcc3381 [1,1,0,0,0,0|2,0,0]=4 2671 B14R1.156 CSCCN(C)CCc1ccccc1 6042e803bf81a118182fd82d39803565 [1,1,0,0,0,0|2,0,0]=4 2672 B14R1.156 C[C@@H](CCc1ccccc1)NCC#N 7c93b2650addabeb88a7446c118c5784 [1,1,0,0,0,0|2,0,0]=4 2673 B14R1.156 C[C@@H](CCc1ccccc1)OCC#N 127e86ee81c1b5a4ac925edb5b598410 [1,1,0,0,0,0|2,0,0]=4 2674 B14R1.156 C[C@H](CCc1ccccc1)NCC#N f5d870507ac8200a4892604280f1883e [1,1,0,0,0,0|2,0,0]=4 2675 B14R1.156 C[C@H](CCc1ccccc1)OCC#N ab8f8b00f648e359dcd18fad5c245067 [1,1,0,0,0,0|2,0,0]=4 2676 B14R1.156 N#CCCC(=O)NCc1ccccc1 db716cbfe4f4966d9f76ebc30cf19ec2 [1,1,0,0,0,0|2,0,0]=4 2677 B14R1.156 N#CCNC(=O)CCc1ccccc1 2575421125fd0a17f188e4347b7f65c6 [1,1,0,0,0,0|2,0,0]=4 2678 B14R1.156 N#CNCC(=O)CCc1ccccc1 e59d368c2c6fbb474175aaea57dff716 [1,1,0,0,0,0|2,0,0]=4 2679 B14R1.422 C=C(C)CCNCCc1ccccc1 233459899175453030c25e24f1a17ed4 [1,1,0,0,0,0|1,0,1]=4 2680 B14R1.422 CC(=O)CCNCCc1ccccc1 5925a590d5c8d8e9563740057c9d99db [1,1,0,0,0,0|1,0,1]=4 2681 B14R1.422 CC(C)CCNCCc1ccccc1 b1b3e96bcbe5b12f86eeeb00dc3732c5 [1,1,0,0,0,0|1,0,1]=4 2682 B14R1.422 CC(O)CCNCCc1ccccc1 5328efd2db9872303f9ac64f4fcd554c [1,1,0,0,0,0|1,0,1]=4 2683 B14R1.422 CN(C)CCNCCc1ccccc1 6d6621891d5173fede9f754491637c15 [1,1,0,0,0,0|2,0,0]=4 2684 B14R1.422 CS(=O)CCNCCc1ccccc1 199f4fac85af4bd9ce9ddba982cd6610 [1,1,0,0,0,0|2,0,0]=4 2685 B14R1.422 C[C@@H](O)CCNCCc1ccccc1 6768f60d71d3e7ff3731404393d1c8e1 [1,1,0,0,0,0|1,0,1]=4 2686 B14R1.422 C[C@H](O)CCNCCc1ccccc1 3fb08ccdb5e0f793a598a14eb7e4abb0 [1,1,0,0,0,0|1,0,1]=4 2687 B14R1.422 FC(F)CCNCCc1ccccc1 8da2febbcdb8326af8961f32bee790f6 [1,1,0,0,0,0|1,0,1]=4 2688 B14R1.422 NC(=O)CCNCCc1ccccc1 83deece04b6be4fded0f1f7b3416eaab [1,1,0,0,0,0|0,0,2]=4 2689 B14R1.422 NC(=S)CCNCCc1ccccc1 b11ab9edb5e39e2c20bf3bfd0a30407d [1,1,0,0,0,0|0,0,2]=4 2690 B14R1.422 O=C(O)CCNCCc1ccccc1 2a001585ec6751d47c446576b6261aa3 [1,1,0,0,0,0|1,0,1]=4 2691 B14R1.422 O=S(O)CCNCCc1ccccc1 a03823914ec4f1d19955ced99fbcd803 [1,1,0,0,0,0|2,0,0]=4 2692 B14R1.520 C#CCC(=O)NCCc1ccccc1 8b73323257f3ed0a984968f5a39676b1 [1,1,0,0,0,0|1,0,1]=4 2693 B14R1.520 C#CCC(C)OCCc1ccccc1 69c7a81abbaebf7973dd56206d0d80db [1,1,0,0,0,0|2,0,0]=4 2694 B14R1.520 CC(CC#N)NCCc1ccccc1 2f19812035ce62396f4b9ec0006c0550 [1,1,0,0,0,0|0,0,0]=2 2695 B14R1.520 CC(CC#N)NCCc1ccccn1 8bfd7538a6597d2714a1ad8958f0bac4 [1,1,0,0,0,0|1,0,0]=3 2696 B14R1.520 CC(CC#N)NCCc1cccnc1 fd634b1aa2dc7e0395c4af9838f2ce82 [1,1,0,0,0,0|1,0,0]=3 2697 B14R1.520 CC(CC#N)NCCc1ccncc1 87a82f910334b81147c286632fbb12fe [1,1,0,0,0,0|1,0,0]=3 2698 B14R1.520 CC(CC#N)NCCc1ccncn1 2490be75261fd777c44b48ac119601d8 [1,1,0,0,0,0|2,0,0]=4 2699 B14R1.520 CC(CC#N)NCCc1cnccn1 8bf7e308ff67d5a72af1f6a3a5475a64 [1,1,0,0,0,0|2,0,0]=4 2700 B14R1.520 CC(CC#N)NCCc1ncccn1 2abad9b77660d871dbc2a3f7342a2513 [1,1,0,0,0,0|2,0,0]=4 2701 B14R1.520 CC(CC#N)OCCc1ccccc1 223ecfd4ea9e8a071f82fa336d5be29a [1,1,0,0,0,0|1,0,0]=3 2702 B14R1.520 CC(CC#N)OCCc1ccccn1 6c50258d5a8891ad669251fc32bb6530 [1,1,0,0,0,0|2,0,0]=4 2703 B14R1.520 CC(CC#N)OCCc1cccnc1 7c35e8b24aa49a4e0fe134755e4d0ae6 [1,1,0,0,0,0|2,0,0]=4 2704 B14R1.520 CC(CC#N)OCCc1ccncc1 42b3e2020a4478769c6aae36995d7e51 [1,1,0,0,0,0|2,0,0]=4 2705 B14R1.520 CC(CCO)NCCc1ccccc1 db444030cb5ddf642ad6c309360d63a7 [1,1,0,0,0,0|1,0,1]=4 2706 B14R1.520 CCCC(C)NCCc1ccccc1 4f58c1b5f5854f3aaad5a8ca5cb46775 [1,1,0,0,0,0|1,0,1]=4 2707 B14R1.520 CCC[C@H](C)NCCc1ccccc1 aaf9742a27b7e7223547d39449cbbda5 [1,1,0,0,0,0|1,0,1]=4 2708 B14R1.520 CN(CC#N)CCCc1ccccc1 acb0407dbe8d6186f7137e249845909b [1,1,0,0,0,0|2,0,0]=4 2709 B14R1.520 COCC(C)NCCc1ccccc1 635fe49d61dca9cd92d9bfeb534b8cf9 [1,1,0,0,0,0|2,0,0]=4 2710 B14R1.520 COC[C@@H](C)NCCc1ccccc1 595756307ca3f987b4e8227f237ec58f [1,1,0,0,0,0|2,0,0]=4 2711 B14R1.520 COC[C@H](C)NCCc1ccccc1 2ceed9715d13b6761ef29102b6138734 [1,1,0,0,0,0|2,0,0]=4 2712 B14R1.520 C[C@@H](CC#N)OCCc1ccccc1 4924043c0beef45a53c8e78252cc5857 [1,1,0,0,0,0|1,0,0]=3 2713 B14R1.520 C[C@@H](CC#N)OCCc1ccccn1 67c9f95b61859ef1423b5c1b187b5c72 [1,1,0,0,0,0|2,0,0]=4 2714 B14R1.520 C[C@@H](CC#N)OCCc1cccnc1 517f42b1dc043824ec96cbcdaf74b2a1 [1,1,0,0,0,0|2,0,0]=4 2715 B14R1.520 C[C@@H](CC#N)OCCc1ccncc1 b14bb9b877d49fee0db675e0620e15ce [1,1,0,0,0,0|2,0,0]=4 2716 B14R1.520 C[C@@H](CCO)NCCc1ccccc1 a9e551dbc2cbbd2e2d0eb47ae233f17d [1,1,0,0,0,0|1,0,1]=4 2717 B14R1.520 C[C@H](CC#N)OCCc1ccccc1 90aff714fbc4c1be33e942c44f16c98b [1,1,0,0,0,0|1,0,0]=3 2718 B14R1.520 C[C@H](CC#N)OCCc1ccccn1 af45a0487cbb0a3ecca600be09b8a65f [1,1,0,0,0,0|2,0,0]=4 2719 B14R1.520 C[C@H](CC#N)OCCc1cccnc1 e456bbd76c6285f590dd63a3a8773807 [1,1,0,0,0,0|2,0,0]=4 2720 B14R1.520 C[C@H](CC#N)OCCc1ccncc1 8eb2301074f8bd2be45376b4ea455e9c [1,1,0,0,0,0|2,0,0]=4 2721 B14R1.520 C[C@H](CCO)NCCc1ccccc1 c63c953762e7d2f98fdf971af3fd383e [1,1,0,0,0,0|1,0,1]=4 2722 B14R1.520 N#CCC(=O)NCCc1ccccc1 ec22b810077f3abe36e2f6a0154514a0 [1,1,0,0,0,0|0,0,1]=3 2723 B14R1.520 N#CCC(=O)NCCc1ccccn1 9115bbf3ba3fc0e89f9cd94b08e5ca83 [1,1,0,0,0,0|1,0,1]=4 2724 B14R1.520 N#CCC(=O)NCCc1cccnc1 1c55cb6f86daed66141b919d8074b67c [1,1,0,0,0,0|1,0,1]=4 2725 B14R1.520 N#CCC(=O)NCCc1ccncc1 76db43c4b6e10072287433b9e14988f1 [1,1,0,0,0,0|1,0,1]=4 2726 B14R1.520 N#CCC(O)CNCc1ccccc1 cf5264ffab35b28155bf8f46d552257d [1,1,0,0,0,0|2,0,0]=4 2727 B14R1.520 N#CC[C@@H](O)CNCc1ccccc1 4e11fe9c138a57bcb0c0b4a4186b6c5a [1,1,0,0,0,0|2,0,0]=4 2728 B14R1.520 N#CC[C@H](O)CNCc1ccccc1 0799c32a11d7108737ec786097863151 [1,1,0,0,0,0|2,0,0]=4 2729 B14R1.520 N#CNC(=O)NCCc1ccccc1 75caa9eaa9fad5ddb1878c922e8f16c9 [1,1,0,0,0,0|1,0,1]=4 2730 B14R1.520 N#CNC(=S)NCCc1ccccc1 39764d9fab5ee7fea4e27556d2e76e4f [1,1,0,0,0,0|1,0,1]=4 2731 B14R1.716 BrCC(Br)CNCCc1ccccc1 ae93071fc5eec0c2a57bf4fd4550433a [1,1,0,0,0,0|1,0,1]=4 2732 B14R1.716 C=C(C#N)CNCCc1ccccc1 80a941bddecbce54e7ffb2fd2c20cec6 [1,1,0,0,0,0|0,0,1]=3 2733 B14R1.716 C=C(C#N)CNCCc1ccccn1 79c668441f429e89b9383c6471612c91 [1,1,0,0,0,0|1,0,1]=4 2734 B14R1.716 C=C(C#N)CNCCc1cccnc1 18ebf624af7290f2f568e34d13dc60a2 [1,1,0,0,0,0|1,0,1]=4 2735 B14R1.716 C=C(C#N)CNCCc1ccncc1 2ca59d81fc161871faadc853c0771ec1 [1,1,0,0,0,0|1,0,1]=4 2736 B14R1.716 C=C(C#N)COCCc1ccccc1 1e43c2f338a35aeb19cceb8f4eeba51b [1,1,0,0,0,0|1,0,1]=4 2737 B14R1.716 C=CC(O)CNCCc1ccccc1 0ad6271dfb9aa247b3241dd9cb5b2a24 [1,1,0,0,0,0|1,0,1]=4 2738 B14R1.716 CC(C#N)CNCCc1ccccc1 b3e2ebdbc365be37ebd70e2daded37e8 [1,1,0,0,0,0|0,0,0]=2 2739 B14R1.716 CC(C#N)CNCCc1ccccn1 93ae9ec6662e54de5fc27e98d9b4a110 [1,1,0,0,0,0|1,0,0]=3 2740 B14R1.716 CC(C#N)CNCCc1cccnc1 44949cc58fd087290528e990b2e10fbc [1,1,0,0,0,0|1,0,0]=3 2741 B14R1.716 CC(C#N)CNCCc1ccncc1 92e8eed555e42795d728cd166e060768 [1,1,0,0,0,0|1,0,0]=3 2742 B14R1.716 CC(C#N)CNCCc1ccncn1 144fe16c798b7d0fdcc95a7191fe297b [1,1,0,0,0,0|2,0,0]=4 2743 B14R1.716 CC(C#N)CNCCc1cnccn1 a12aa5cd992dd84b84cac5d9abdd97a0 [1,1,0,0,0,0|2,0,0]=4 2744 B14R1.716 CC(C#N)CNCCc1ncccn1 57d898e5d97e43efcefd41be371321ba [1,1,0,0,0,0|2,0,0]=4 2745 B14R1.716 CC(C#N)COCCc1ccccc1 b928bb31503b9f7807410f2e12ce0ab3 [1,1,0,0,0,0|1,0,0]=3 2746 B14R1.716 CC(C#N)COCCc1ccccn1 4de03d351f264094679cd42787223ace [1,1,0,0,0,0|2,0,0]=4 2747 B14R1.716 CC(C#N)COCCc1cccnc1 e7e5eff6004ed82070ef62f11c60d0f2 [1,1,0,0,0,0|2,0,0]=4 2748 B14R1.716 CC(C#N)COCCc1ccncc1 0f49456baa7b44bb42aec8814816c538 [1,1,0,0,0,0|2,0,0]=4 2749 B14R1.716 CC(C#N)NCCCc1ccccc1 ec687777119293b6c469337e1e8d7bdd [1,1,0,0,0,0|2,0,0]=4 2750 B14R1.716 CC(CO)CNCCc1ccccc1 309b5deab13cda3c4646266a4277a18a [1,1,0,0,0,0|1,0,1]=4 2751 B14R1.716 CCC(C)CNCCc1ccccc1 f8f1f6ec11afcca90571520255996fe1 [1,1,0,0,0,0|1,0,1]=4 2752 B14R1.716 CCC(O)CNCCc1ccccc1 03cfe398912e7ed5f26a1e52c6ba08b4 [1,1,0,0,0,0|1,0,1]=4 2753 B14R1.716 CC[C@@H](C)CNCCc1ccccc1 5a25e93b30b261700f71bdb0a4783e8d [1,1,0,0,0,0|1,0,1]=4 2754 B14R1.716 CC[C@@H](O)CNCCc1ccccc1 24737b1095a969e8863c0b004221774d [1,1,0,0,0,0|1,0,1]=4 2755 B14R1.716 CC[C@H](C)CNCCc1ccccc1 10a3f907981f15819e11a649d9e2f82c [1,1,0,0,0,0|1,0,1]=4 2756 B14R1.716 COC(C)CNCCc1ccccc1 8da47a51b85256f102d5a78cc24f5d78 [1,1,0,0,0,0|2,0,0]=4 2757 B14R1.716 CO[C@@H](C)CNCCc1ccccc1 955888c65c320558b215a03db3cc3b4e [1,1,0,0,0,0|2,0,0]=4 2758 B14R1.716 CO[C@H](C)CNCCc1ccccc1 0c9a6156c5044e7ece99ee5d913ffec5 [1,1,0,0,0,0|2,0,0]=4 2759 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 3921857ba01313667310519151508f33 [1,1,0,0,0,0|1,0,1]=4 2760 B14R1.716 C[C@H](CO)CNCCc1ccccc1 55bfa2ff3cf910a87ed55f4064695294 [1,1,0,0,0,0|1,0,1]=4 2761 B14R1.716 OC(CF)CNCCc1ccccc1 ff626a2d5fec8525fe4e6edf2af73a29 [1,1,0,0,0,0|1,0,1]=4 2762 B14R1.716 OCC(F)CNCCc1ccccc1 fa770c23623a981abda82a092460ba33 [1,1,0,0,0,0|1,0,1]=4 2763 B14R1.716 OCC(O)CNCCc1ccccc1 4c0217ec628b0d05ede227640e8d4d58 [1,1,0,0,0,0|1,0,1]=4 2764 B14R1.716 OC[C@@H](F)CNCCc1ccccc1 c9c66fbc4f255e79050d07a1d9679b4b [1,1,0,0,0,0|1,0,1]=4 2765 B14R1.716 OC[C@@H](O)CNCCc1ccccc1 763c30d1773fc25868047a5fe088be2e [1,1,0,0,0,0|1,0,1]=4 2766 B14R1.716 OC[C@H](F)CNCCc1ccccc1 cdfac9bb30cdd3e8121a3fdcb6f278f0 [1,1,0,0,0,0|1,0,1]=4 2767 B14R1.716 OC[C@H](O)CNCCc1ccccc1 56f33a67861424487739be02579449d0 [1,1,0,0,0,0|1,0,1]=4 2768 B14R1.882 C#CCCNCCc1ccccc1Br 0106dfdaae12eece43dd011921a945ba [1,1,0,0,0,0|1,0,0]=3 2769 B14R1.882 C#CCCNCCc1ccccc1C 8964768d7cfe9fea777b48675a7816f8 [1,1,0,0,0,0|1,0,0]=3 2770 B14R1.882 C#CCCNCCc1ccccc1Cl a9ffcf3f06741a9b0873e95269caa246 [1,1,0,0,0,0|1,0,0]=3 2771 B14R1.882 C#CCCNCCc1ccccc1F 7c85bbefb7f367ac91f9088b42ec90f4 [1,1,0,0,0,0|1,0,0]=3 2772 B14R1.882 C#CCCNCCc1ccccc1I 41712ecfa18b87e33cfd7ae2a250761a [1,1,0,0,0,0|1,0,0]=3 2773 B14R1.882 C#CCCNCCc1ncccc1Br 9eea1919efd342c3487be28ba4ea133a [1,1,0,0,0,0|2,0,0]=4 2774 B14R1.882 C#CCCNCCc1ncccc1C 0162de746390aa085bad917710a9783e [1,1,0,0,0,0|2,0,0]=4 2775 B14R1.882 C#CCCNCCn1ccccc1=O 3fa208412a51c574abde3a49a7dea572 [1,1,0,0,0,0|2,0,0]=4 2776 B14R1.882 C#CCCOCCc1ccccc1Br 14ac25984e6cc8accc71907665767458 [1,1,0,0,0,0|2,0,0]=4 2777 B14R1.882 C#CCCOCCc1ccccc1C 54e7ed4aa9e7057fdcc47f42d55808b6 [1,1,0,0,0,0|2,0,0]=4 2778 B14R1.882 C#CCCOCCc1ccccc1Cl fec793198e659e3779a03baeaa55efaa [1,1,0,0,0,0|2,0,0]=4 2779 B14R1.882 C#CCCOCCc1ccccc1F af8a04ca8274ad8b9c8282ea4da1d881 [1,1,0,0,0,0|2,0,0]=4 2780 B14R1.882 C#CCCOCCc1ccccc1I 845e13ada69c8fad887b17278688311a [1,1,0,0,0,0|2,0,0]=4 2781 B14R1.882 C=CCCNCCc1ccccc1Br 9903eb8107cd94ca126aa386b531209a [1,1,0,0,0,0|1,0,1]=4 2782 B14R1.882 C=CCCNCCc1ccccc1C 310e3f9f4ad3a4a41bd7bad98e272e4e [1,1,0,0,0,0|1,0,1]=4 2783 B14R1.882 C=CCCNCCc1ccccc1Cl babf9ead18701e4fb4d8e8e2a7767068 [1,1,0,0,0,0|1,0,1]=4 2784 B14R1.882 C=CCCNCCc1ccccc1F bbc9cc65064b1675e3fae4910ce5fc27 [1,1,0,0,0,0|1,0,1]=4 2785 B14R1.882 C=CCCNCCc1ccccc1I a732e9f5e562f5449ca261e66031fdf1 [1,1,0,0,0,0|1,0,1]=4 2786 B14R1.882 CC#CCNCCc1ccccc1F 6cea6d588248cdc4bbb67b0fd7787db7 [1,1,0,0,0,0|1,0,1]=4 2787 B14R1.882 CCCCNCCc1ccccc1C f17b3a9bd6ed8c0df795762132949f3b [1,1,0,0,0,0|1,0,1]=4 2788 B14R1.882 CCCCNCCc1ccccc1Cl dabbc447782192499fb9faed28489bc5 [1,1,0,0,0,0|1,0,1]=4 2789 B14R1.882 CCCCNCCc1ccccc1F b6ede206514e0763ae6aff8ab6fcbb84 [1,1,0,0,0,0|1,0,1]=4 2790 B14R1.882 CCCCNCCc1ccccc1I 9b97506bfc9ff82f240cc3bfa670d972 [1,1,0,0,0,0|1,0,1]=4 2791 B14R1.882 COCCNCCc1ccccc1Br 0d1bd96396d948d3b44ce7157e07b725 [1,1,0,0,0,0|2,0,0]=4 2792 B14R1.882 COCCNCCc1ccccc1C 288a655a1801bc5fc3c83f073b7a0de7 [1,1,0,0,0,0|2,0,0]=4 2793 B14R1.882 COCCNCCc1ccccc1Cl 4ca3e3c10ce4318d45dd76725fba2fb9 [1,1,0,0,0,0|2,0,0]=4 2794 B14R1.882 COCCNCCc1ccccc1F 94289df21b8a375f62761103cde97104 [1,1,0,0,0,0|2,0,0]=4 2795 B14R1.882 COCCNCCc1ccccc1I bb8a37d0576444c90b2fa6565b8b3c28 [1,1,0,0,0,0|2,0,0]=4 2796 B14R1.882 CSCCNCCc1ccccc1Br 1fb4b8f1fbafef3665de529bacbe8b11 [1,1,0,0,0,0|2,0,0]=4 2797 B14R1.882 CSCCNCCc1ccccc1C 92f36138b49b9a5b7ed028be9d3d1c1b [1,1,0,0,0,0|2,0,0]=4 2798 B14R1.882 CSCCNCCc1ccccc1Cl 89c82ee86162bbe81d0d81e2c50555b7 [1,1,0,0,0,0|2,0,0]=4 2799 B14R1.882 CSCCNCCc1ccccc1F 04a682b1ad6f39e81e88dcbb00023172 [1,1,0,0,0,0|2,0,0]=4 2800 B14R1.882 CSCCNCCc1ccccc1I 6b22aa9fbfbea7651549b500b3f5b06c [1,1,0,0,0,0|2,0,0]=4 2801 B14R1.882 Cc1ccccc1CCCCNC#N e25f7fd5711f14a961b02dd8b67ecfd5 [1,1,0,0,0,0|2,0,0]=4 2802 B14R1.882 Cc1ccccc1CCCNCC#N fe2350c35beb2c8be7364a6d042f80bc [1,1,0,0,0,0|2,0,0]=4 2803 B14R1.882 Cc1ccccc1CCCOCC#N 8e30d2725e4599ddd78d45da4def9bd0 [1,1,0,0,0,0|2,0,0]=4 2804 B14R1.882 Cc1ccccc1CCNCCC#N 56abe4062bef50f4354924986241b117 [1,1,0,0,0,0|0,0,0]=2 2805 B14R1.882 Cc1ccccc1CCNCCC=O 4e30695dc42709325782e1bc53790a6d [1,1,0,0,0,0|1,0,1]=4 2806 B14R1.882 Cc1ccccc1CCNCCCCl 0587ef54329304c33a8d4c9a9600f812 [1,1,0,0,0,0|1,0,1]=4 2807 B14R1.882 Cc1ccccc1CCNCCCF d5c29a1584b6fb34a1238d32b03e8f23 [1,1,0,0,0,0|1,0,1]=4 2808 B14R1.882 Cc1ccccc1CCNCCCO 330cacf061a079cba7483ea9dfefcf3b [1,1,0,0,0,0|1,0,1]=4 2809 B14R1.882 Cc1ccccc1CCOCCC#N a58a2ae6c2ee8ecc22a57af91b7b6a41 [1,1,0,0,0,0|1,0,0]=3 2810 B14R1.882 Cc1ccccc1CNCCCC#N 93ef2d2396cccb56fb0ddef4b44212a4 [1,1,0,0,0,0|2,0,0]=4 2811 B14R1.882 Cc1ccccc1COCCCC#N 7fbd48d35f48c9b6846c3a443bf474c7 [1,1,0,0,0,0|2,0,0]=4 2812 B14R1.882 Cc1ccccc1NCCCCC#N 97a7678c64edccbc5c0b935bcdf8e057 [1,1,0,0,0,0|2,0,0]=4 2813 B14R1.882 Cc1ccccc1OCCCCC#N da4123684994c31703c06de419fc90f6 [1,1,0,0,0,0|2,0,0]=4 2814 B14R1.882 Cc1cccnc1CCNCCC#N 6ae5da21cb64efea2932b54afab304cf [1,1,0,0,0,0|1,0,0]=3 2815 B14R1.882 Cc1cccnc1CCNCSC#N 261ac1159298e54c38e0e6acb167470a [1,1,0,0,0,0|2,0,0]=4 2816 B14R1.882 Cc1cccnc1CCOCCC#N 11022cf36ba8ef3c32de8ee9aa6236f5 [1,1,0,0,0,0|2,0,0]=4 2817 B14R1.882 Cc1cnccc1CCOCCC#N bf69e5f55598978f44ed1a678a8d0634 [1,1,0,0,0,0|2,0,0]=4 2818 B14R1.882 ClCCCNCCc1ccccc1Cl 120854daf39b1dbb917b7d8909d59d29 [1,1,0,0,0,0|1,0,1]=4 2819 B14R1.882 ClCCCNCCc1ccccc1I f6150cd10f1008ff77caa62d154d1007 [1,1,0,0,0,0|1,0,1]=4 2820 B14R1.882 FCCCNCCc1ccccc1Cl 3839e8efd024bd1206dbe09e0ff9a9e8 [1,1,0,0,0,0|1,0,1]=4 2821 B14R1.882 FCCCNCCc1ccccc1F beea5160e1d3e91b5451875f337d09de [1,1,0,0,0,0|1,0,1]=4 2822 B14R1.882 Fc1ccccc1CCNCCCCl 0d8c35ecce295acea6c94f8b7d08d426 [1,1,0,0,0,0|1,0,1]=4 2823 B14R1.882 Fc1ccccc1CCNCCCS 6b0830693ef1fd786133359ff36e2e18 [1,1,0,0,0,0|1,0,1]=4 2824 B14R1.882 N#CCCCCNc1ccccc1Cl a1fa16936e0924124f1604f0b2e54cb0 [1,1,0,0,0,0|2,0,0]=4 2825 B14R1.882 N#CCCCCNc1ccccc1F 90658187d2bfab75383f276b5d63e674 [1,1,0,0,0,0|2,0,0]=4 2826 B14R1.882 N#CCCCCNc1ccccc1I 7fb6d513ba4f9a5efae6ffdcc7fb369e [1,1,0,0,0,0|2,0,0]=4 2827 B14R1.882 N#CCCCCNc1ccccc1S ddddaf7a5613fa84a5f754a8b383526d [1,1,0,0,0,0|2,0,0]=4 2828 B14R1.882 N#CCCCCOc1ccccc1Cl 641ee691124c9b3d1b7d96f1166d24ad [1,1,0,0,0,0|2,0,0]=4 2829 B14R1.882 N#CCCCCOc1ccccc1F 61d22eb70523033ad137271b093afdc9 [1,1,0,0,0,0|2,0,0]=4 2830 B14R1.882 N#CCCCCOc1ccccc1I 316eca35f5a6bae1987d68d0b410ee08 [1,1,0,0,0,0|2,0,0]=4 2831 B14R1.882 N#CCCCCOc1ccccc1S 960aec6738a39e05b04b70f41f163dd3 [1,1,0,0,0,0|2,0,0]=4 2832 B14R1.882 N#CCCCNCc1ccccc1Br 036b7e60f8db165df07e69ac6474274d [1,1,0,0,0,0|2,0,0]=4 2833 B14R1.882 N#CCCCNCc1ccccc1Cl 8125351ba5602bc6846736874b72f32a [1,1,0,0,0,0|2,0,0]=4 2834 B14R1.882 N#CCCCNCc1ccccc1F 1a3d0689f7647b835b575436b1388db2 [1,1,0,0,0,0|2,0,0]=4 2835 B14R1.882 N#CCCCNCc1ccccc1I 3df3c94d872cf24e9352488ff017a45a [1,1,0,0,0,0|2,0,0]=4 2836 B14R1.882 N#CCCCOCc1ccccc1Br cd72f2c551507829bfea9973dbb8112c [1,1,0,0,0,0|2,0,0]=4 2837 B14R1.882 N#CCCCOCc1ccccc1Cl 0491f04d7279631ccfa4af6331e5d202 [1,1,0,0,0,0|2,0,0]=4 2838 B14R1.882 N#CCCCOCc1ccccc1F ce94669ba64ea66ddd6fd8ce3150b702 [1,1,0,0,0,0|2,0,0]=4 2839 B14R1.882 N#CCCCOCc1ccccc1I 63cb2361b82eb052a5604ef303928789 [1,1,0,0,0,0|2,0,0]=4 2840 B14R1.882 N#CCCCOCc1ccccc1S cc08212d652f301af4965d7508222242 [1,1,0,0,0,0|2,0,0]=4 2841 B14R1.882 N#CCCNCCc1ccccc1Cl ca8759f8b8d58b57b8d15f2849be6cb9 [1,1,0,0,0,0|0,0,0]=2 2842 B14R1.882 N#CCCNCCc1ccccc1F 43d11c2fbfcadd7599b64de6af9c42d7 [1,1,0,0,0,0|0,0,0]=2 2843 B14R1.882 N#CCCNCCc1ccccc1I dba4c07c573dff82baa6b61f59f6134f [1,1,0,0,0,0|0,0,0]=2 2844 B14R1.882 N#CCCNCCc1ncccc1Br de18b4fed246ab9ecaf16e8c85e89cac [1,1,0,0,0,0|1,0,0]=3 2845 B14R1.882 N#CCCNCCn1ccccc1=O ae91369440c5bcd27bf481650a9ba150 [1,1,0,0,0,0|1,0,0]=3 2846 B14R1.882 N#CCCNCCn1ncccc1=O d822faf02b1bb85133bd7f143856d085 [1,1,0,0,0,0|2,0,0]=4 2847 B14R1.882 N#CCCOCCc1ccccc1Br ea7f169e0669c6948e2661b1c9d0b621 [1,1,0,0,0,0|1,0,0]=3 2848 B14R1.882 N#CCCOCCc1ccccc1Cl d2ec5b0973f8ab982cd5fb9c33b2e01c [1,1,0,0,0,0|1,0,0]=3 2849 B14R1.882 N#CCCOCCc1ccccc1F 63e65b560d822fc39b364601b704dbe0 [1,1,0,0,0,0|1,0,0]=3 2850 B14R1.882 N#CCCOCCc1ccccc1I 45ecc1cb8b4a671d44afc077e3f40ef7 [1,1,0,0,0,0|1,0,0]=3 2851 B14R1.882 N#CCCOCCc1ccncc1Cl 68b4d9abbc3b2b4dc44636a61d944f40 [1,1,0,0,0,0|2,0,0]=4 2852 B14R1.882 N#CCCOCCc1ccncc1F 5e54e935d850fd94f40dc4a21cde5288 [1,1,0,0,0,0|2,0,0]=4 2853 B14R1.882 N#CCCOCCc1ncccc1F 927d4783aa12489db70f3d540541c59a [1,1,0,0,0,0|2,0,0]=4 2854 B14R1.882 N#CCCOCCn1ccccc1=O 499c0018d29fded6956b124c4ca19b6b [1,1,0,0,0,0|2,0,0]=4 2855 B14R1.882 N#CCNCCCc1ccccc1Br 752aa8ee6226c98e1a2bc1ccce0edb5c [1,1,0,0,0,0|2,0,0]=4 2856 B14R1.882 N#CCNCCCc1ccccc1Cl 7611a945e872fab77ef7b3bfb6c2ac02 [1,1,0,0,0,0|2,0,0]=4 2857 B14R1.882 N#CCNCCCc1ccccc1F d597229e052673488f44776dceece9aa [1,1,0,0,0,0|2,0,0]=4 2858 B14R1.882 N#CCOCCCc1ccccc1Br d3a004975f3aa86cb9772f040a7cff8a [1,1,0,0,0,0|2,0,0]=4 2859 B14R1.882 N#CCOCCCc1ccccc1Cl 853f255e00f17057add878a8ab6b6ff6 [1,1,0,0,0,0|2,0,0]=4 2860 B14R1.882 N#CCOCCCc1ccccc1F 2e76012385e3ca0b03f23e9b6d732945 [1,1,0,0,0,0|2,0,0]=4 2861 B14R1.882 N#CNCCCCc1ccccc1Cl 82696cc95ebdc8d7d0db424ec2b188ba [1,1,0,0,0,0|2,0,0]=4 2862 B14R1.882 N#CNCCCCc1ccccc1F a56a9a532dd8053a5ac3c518f2acc994 [1,1,0,0,0,0|2,0,0]=4 2863 B14R1.882 N#CSCNCCc1ccccc1Cl f1636d4a46d9ae00eaab006a96f95cfc [1,1,0,0,0,0|1,0,0]=3 2864 B14R1.882 N#CSCNCCc1ccccc1F c18ad79a3e7586bdd05a007da9985a0d [1,1,0,0,0,0|1,0,0]=3 2865 B14R1.882 N#CSCNCCc1ncccc1Br 48b7db29eaa4b0d052b7ae4aece97692 [1,1,0,0,0,0|2,0,0]=4 2866 B14R1.882 N#CSCNCCn1ccccc1=O 7dc614149c0ff6e906da349baff909ab [1,1,0,0,0,0|2,0,0]=4 2867 B14R1.882 N#CSCOCCc1ccccc1Cl 14faa61e994683dfcf7315ef9ea09ada [1,1,0,0,0,0|2,0,0]=4 2868 B14R1.882 N#CSCOCCc1ccccc1F 3056b52414e08cf39f7ae3631e4a59e8 [1,1,0,0,0,0|2,0,0]=4 2869 B14R1.882 N#CSCOCCc1ccccc1I 67ef1008432876bf2cae83c5966c6f95 [1,1,0,0,0,0|2,0,0]=4 2870 B14R1.882 NOCCNCCc1ccccc1F 98bbc9478209c1e0bf880b458c637956 [1,1,0,0,0,0|1,0,1]=4 2871 B14R1.882 NOCCNCCc1ccccc1I 7febea9e0308e491c1104adbb7c27a73 [1,1,0,0,0,0|1,0,1]=4 2872 B14R1.882 O=CCCNCCc1ccccc1Br b98a602c83e698c5b2916845a67133f9 [1,1,0,0,0,0|1,0,1]=4 2873 B14R1.882 O=CCCNCCc1ccccc1Cl 0bda30d43877e4f4dd3eb029375245f7 [1,1,0,0,0,0|1,0,1]=4 2874 B14R1.882 O=CCCNCCc1ccccc1F c9601bb9254c76c9eea02dfabdb441b4 [1,1,0,0,0,0|1,0,1]=4 2875 B14R1.882 OCCCNCCc1ccccc1Cl f7c07d59ff5a49485446fe01c662720d [1,1,0,0,0,0|1,0,1]=4 2876 B14R1.882 OCCCNCCc1ccccc1F 3244abc073ca55bff451905f162a691b [1,1,0,0,0,0|1,0,1]=4 2877 B14R1.882 OCCCNCCc1ccccc1I 68354b009847a6f5f18f2b3b25b0a3dd [1,1,0,0,0,0|1,0,1]=4 2878 B14R1.882 SCCCNCCc1ccccc1Cl ac2290d57177a6f25188cca502777209 [1,1,0,0,0,0|1,0,1]=4 2879 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Br 36259a7f3f8e0467e7d222c7cadb66ba [1,1,0,0,0,0|2,0,0]=4 2880 B14R1.33 C#CCCN(C)Cc1ccc(cc1)C 1a572d5e32f1758355e9e1b82097bda5 [1,1,0,0,0,0|2,0,0]=4 2881 B14R1.33 C#CCCN(C)Cc1ccc(cc1)Cl b49c8b478bdf9ed04421dd7b7e267a42 [1,1,0,0,0,0|2,0,0]=4 2882 B14R1.33 C#CCCN(C)Cc1ccc(cc1)F 3ef998ea91bac41f6f6714c5ea0d566d [1,1,0,0,0,0|2,0,0]=4 2883 B14R1.33 C#CCCN(C)Cc1ccc(cc1)I a4ac2cfa6ae950dd82194aa22f7f0e82 [1,1,0,0,0,0|2,0,0]=4 2884 B14R1.33 C#CCNC(C)Cc1ccc(cc1)F c4c7d56b4a9bd38dd3fb6769abfebb38 [1,1,0,0,0,0|0,0,1]=3 2885 B14R1.33 C#CCOC(C)Cc1ccc(cc1)Br 1f193db13717ea3b09fe5f9cc427af67 [1,1,0,0,0,0|1,0,1]=4 2886 B14R1.33 C#CCOC(C)Cc1ccc(cc1)C c4fb3288e1fca34712c9be917c875ce8 [1,1,0,0,0,0|1,0,1]=4 2887 B14R1.33 C#CCOC(C)Cc1ccc(cc1)Cl 1454841ccf55e7cf1c3e34d5ed5af433 [1,1,0,0,0,0|1,0,1]=4 2888 B14R1.33 C#CCOC(C)Cc1ccc(cc1)F e2f1d7660b80cd95393b3339be58af6b [1,1,0,0,0,0|1,0,1]=4 2889 B14R1.33 CC(CCC#N)Nc1ccc(=O)[nH]c1 2d385bf9bc9864d2452cadf84d42b82f [1,1,0,0,0,0|2,0,0]=4 2890 B14R1.33 CC(CCC#N)Nc1ccc(cc1)Br ad9cb5af7fcd8d11aea0f6dc8901908b [1,1,0,0,0,0|1,0,0]=3 2891 B14R1.33 CC(CCC#N)Nc1ccc(cc1)Cl e6cb6a96764d6f24e9a19c385c12ff76 [1,1,0,0,0,0|1,0,0]=3 2892 B14R1.33 CC(CCC#N)Nc1ccc(cc1)F b067f4536e4fcd722e5a1a56f5173f1f [1,1,0,0,0,0|1,0,0]=3 2893 B14R1.33 CC(CCC#N)Nc1ccc(cc1)I 6668159bc4b327a78d73aef0151b9b91 [1,1,0,0,0,0|1,0,0]=3 2894 B14R1.33 CC(CCC#N)Nc1ccc(cc1)S 5f7feba8f6cedaf5b3cfedb304c1d103 [1,1,0,0,0,0|1,0,0]=3 2895 B14R1.33 CC(CCC#N)Nc1ccc(cn1)Cl 7bd6286f61c724c9fd47d4c4f128accb [1,1,0,0,0,0|2,0,0]=4 2896 B14R1.33 CC(CCC#N)Nc1ccc(cn1)F addb5903848970fac895fc95d51c8bcb [1,1,0,0,0,0|2,0,0]=4 2897 B14R1.33 CC(CCC#N)Nc1ccc(cn1)I 21bda2cbaa6c65eb1bd8628c9bd5b6e6 [1,1,0,0,0,0|2,0,0]=4 2898 B14R1.33 CC(CCC#N)Nc1ccc(nc1)Cl d9b1bb249150629c56291705cb094488 [1,1,0,0,0,0|2,0,0]=4 2899 B14R1.33 CC(CCC#N)Nc1ccc(nc1)F bb231d22a370918275d722b3e59a6df6 [1,1,0,0,0,0|2,0,0]=4 2900 B14R1.33 CC(CCC#N)Oc1ccc(cc1)Br 479b33b57b8fae140b6d283f7598992b [1,1,0,0,0,0|1,0,0]=3 2901 B14R1.33 CC(CCC#N)Oc1ccc(cc1)Cl 8ccdab00794e4ba30a7a44e53084a22a [1,1,0,0,0,0|1,0,0]=3 2902 B14R1.33 CC(CCC#N)Oc1ccc(cc1)F d6113c3c3d926033cb691c680b1d0543 [1,1,0,0,0,0|1,0,0]=3 2903 B14R1.33 CC(CCC#N)Oc1ccc(cc1)I 067720a0ad4047c5c44505fa4a8e3a3a [1,1,0,0,0,0|1,0,0]=3 2904 B14R1.33 CC(CCC#N)Oc1ccc(cc1)S add7d9377b9c89c9df4389c49dcae303 [1,1,0,0,0,0|1,0,0]=3 2905 B14R1.33 CC(CCC#N)Oc1ccc(cn1)Cl 2eb117ad38b5b4c689c2e208da893826 [1,1,0,0,0,0|2,0,0]=4 2906 B14R1.33 CC(CCC#N)Oc1ccc(cn1)F 6a2eddc6676e4b3eed9593b8f4c0a84a [1,1,0,0,0,0|2,0,0]=4 2907 B14R1.33 CC(CCC#N)Oc1ccc(cn1)I 86d99d2aab60f86c738457eea54ec7a6 [1,1,0,0,0,0|2,0,0]=4 2908 B14R1.33 CC(CCC#N)Oc1ccc(nc1)Br 1a4e6d60e75a5517c793822c9678d090 [1,1,0,0,0,0|2,0,0]=4 2909 B14R1.33 CC(CCC#N)Oc1ccc(nc1)Cl d5e91ed0d7a75a36e3ef927173170f94 [1,1,0,0,0,0|2,0,0]=4 2910 B14R1.33 CC(CCC#N)Oc1ccc(nc1)F 77f1d4eb287bdb8393f599c1c043f87d [1,1,0,0,0,0|2,0,0]=4 2911 B14R1.33 CC(CCC#N)Oc1ccc(nc1)I f8de292018acf9c36f3fff91910ef594 [1,1,0,0,0,0|2,0,0]=4 2912 B14R1.33 CC(CNC#N)Oc1ccc(cc1)F 8ed63c34fb693cdde1289f0127f79f9a [1,1,0,0,0,0|2,0,0]=4 2913 B14R1.33 CC(Cc1ccc(cc1)Br)OCC#N 6433ce32621161872c9ba8bff04ff29c [1,1,0,0,0,0|1,0,0]=3 2914 B14R1.33 CC(Cc1ccc(cc1)Br)OCCF f38154a194f6a700c1bc3ed55f19b20e [1,1,0,0,0,0|2,0,0]=4 2915 B14R1.33 CC(Cc1ccc(cc1)Br)OCCS c38e27d672f510143b818bbd203ca04c [1,1,0,0,0,0|2,0,0]=4 2916 B14R1.33 CC(Cc1ccc(cc1)Cl)OCC#N 4f352fbf0a4c9525d28c4a908c67e15b [1,1,0,0,0,0|1,0,0]=3 2917 B14R1.33 CC(Cc1ccc(cc1)Cl)OCCF f04cd21f7a3c6d59b2806f27fb5757d4 [1,1,0,0,0,0|2,0,0]=4 2918 B14R1.33 CC(Cc1ccc(cc1)Cl)OCCS ca7174975b2582372dae918c693c3d16 [1,1,0,0,0,0|2,0,0]=4 2919 B14R1.33 CC(Cc1ccc(cc1)F)NCC#N 59abc1f026b87630085f6dbf6f6f3aa3 [1,1,0,0,0,0|0,0,0]=2 2920 B14R1.33 CC(Cc1ccc(cc1)F)NCCBr cc1f3128c436d3e2b7e16650da20594f [1,1,0,0,0,0|1,0,0]=3 2921 B14R1.33 CC(Cc1ccc(cc1)F)NCCF dbb488056af4af31a11213cb69659adc [1,1,0,0,0,0|1,0,0]=3 2922 B14R1.33 CC(Cc1ccc(cc1)F)NCCI 88ede970c1e4481fa7db629b2f94fe17 [1,1,0,0,0,0|1,0,0]=3 2923 B14R1.33 CC(Cc1ccc(cc1)F)NCCO 67d11fcf852c365993635ca6ccdb89b8 [1,1,0,0,0,0|1,0,0]=3 2924 B14R1.33 CC(Cc1ccc(cc1)F)OCC#N 927bfed1fa1fa57b55b9b0c6ca24c883 [1,1,0,0,0,0|1,0,0]=3 2925 B14R1.33 CC(Cc1ccc(cc1)F)OCCF f411868ed42d397039c8d44377a690c7 [1,1,0,0,0,0|2,0,0]=4 2926 B14R1.33 CC(Cc1ccc(cc1)F)OCCS ebdcbec5fbb349c0cb7e55a2847e009b [1,1,0,0,0,0|2,0,0]=4 2927 B14R1.33 CCCNC(C)Cc1ccc(cc1)F 6f91ce5a8cb3ad22f778a7c06a6b3726 [1,1,0,0,0,0|0,0,1]=3 2928 B14R1.33 CCCOC(C)Cc1ccc(cc1)Br 518d53feb69a8579b7bca5cf82f54948 [1,1,0,0,0,0|1,0,1]=4 2929 B14R1.33 CCCOC(C)Cc1ccc(cc1)C 043caf5359324e1dd64c1bb434567713 [1,1,0,0,0,0|1,0,1]=4 2930 B14R1.33 CCCOC(C)Cc1ccc(cc1)Cl 02105e218b6c114e7048728ebd5d519b [1,1,0,0,0,0|1,0,1]=4 2931 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 607e6a8378e1be1e1ff0ee3c5f983018 [1,1,0,0,0,0|1,0,1]=4 2932 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Br b4dc627b7e1f253ffb3133a46e710742 [1,1,0,0,0,0|1,0,0]=3 2933 B14R1.33 CN(CCC#N)Cc1ccc(cc1)Cl c5d5916c3b7b822a049b4b50806f42d2 [1,1,0,0,0,0|1,0,0]=3 2934 B14R1.33 CN(CCC#N)Cc1ccc(cc1)F 536ae481c52151703fec4574ddf072c8 [1,1,0,0,0,0|1,0,0]=3 2935 B14R1.33 CN(CCC#N)Cc1ccc(cc1)I 85c829c7ed46ae1322072531ce29d6f1 [1,1,0,0,0,0|1,0,0]=3 2936 B14R1.33 CN(CCC#N)Cc1ccc(cn1)Cl aecd9ed462fc7d4e7d45021840b5813c [1,1,0,0,0,0|2,0,0]=4 2937 B14R1.33 CN(CCC#N)Cc1ccc(cn1)F 424dfaaf234590f3515c38b7bc5b2a56 [1,1,0,0,0,0|2,0,0]=4 2938 B14R1.33 CN(CCC#N)Cc1ccc(nc1)Br 8d0e9c7b671cd19ee5bd13bf619aaae4 [1,1,0,0,0,0|2,0,0]=4 2939 B14R1.33 CN(CCC#N)Cc1ccc(nc1)Cl 00aa08f45453410cfebed8a9fa1d011b [1,1,0,0,0,0|2,0,0]=4 2940 B14R1.33 CN(CCC#N)Cc1ccc(nc1)F 81d33c64415ee6d44ea1680d0ca79e04 [1,1,0,0,0,0|2,0,0]=4 2941 B14R1.33 CN(CSC#N)Cc1ccc(cc1)Br 9d25406a8ffe37015ff67c672c3f2450 [1,1,0,0,0,0|2,0,0]=4 2942 B14R1.33 CN(CSC#N)Cc1ccc(cc1)Cl e137589dc100572a61f1274c5166d526 [1,1,0,0,0,0|2,0,0]=4 2943 B14R1.33 CN(CSC#N)Cc1ccc(cc1)F fbfa0b57637d55206f40ad3c05165322 [1,1,0,0,0,0|2,0,0]=4 2944 B14R1.33 CN(CSC#N)Cc1ccc(cc1)I 95dbb2ef6206bae2d1c0fdf372307670 [1,1,0,0,0,0|2,0,0]=4 2945 B14R1.33 Cc1ccc(cc1)CC(=O)NCC#N 0ad11c582e9a043d5d25a1b58ce0d0d8 [1,1,0,0,0,0|1,0,1]=4 2946 B14R1.33 Cc1ccc(cc1)CC(C)OCC#N 941b2df063726bc4ed4368f43c1dd2c1 [1,1,0,0,0,0|1,0,0]=3 2947 B14R1.33 Cc1ccc(cc1)CC(C)OCCF a1c844ffc207bbeff612c3e62e340a86 [1,1,0,0,0,0|2,0,0]=4 2948 B14R1.33 Cc1ccc(cc1)CC(C)OCCS 8a9a75079f394bf8da698442e79e1b81 [1,1,0,0,0,0|2,0,0]=4 2949 B14R1.33 Cc1ccc(cc1)CN(C)CCC#N 60a4dd8c1b63e92e3c80217fe9da2bae [1,1,0,0,0,0|1,0,0]=3 2950 B14R1.33 Cc1ccc(cc1)CN(C)CSC#N 00419c4366ecdbc48b84508afb92751c [1,1,0,0,0,0|2,0,0]=4 2951 B14R1.33 Cc1ccc(cc1)NC(C)CCC#N f30e3f84088c9a447489020e02c6b01d [1,1,0,0,0,0|1,0,0]=3 2952 B14R1.33 Cc1ccc(cc1)OC(C)CCC#N 624ddf10607e8abc68b762aa50087357 [1,1,0,0,0,0|1,0,0]=3 2953 B14R1.33 Cc1ccc(cn1)CN(C)CCC#N 4f9cdd7d0f8e6c65c020f47a4f2e721e [1,1,0,0,0,0|2,0,0]=4 2954 B14R1.33 Cc1ccc(cn1)OC(C)CCC#N 539c4430b34e65f6d9bc468e82320ede [1,1,0,0,0,0|2,0,0]=4 2955 B14R1.33 Cc1ccc(nc1)CN(C)CCC#N f2efd740f871af09c3ae777405b3ed9d [1,1,0,0,0,0|2,0,0]=4 2956 B14R1.33 Cc1ccc(nc1)NC(C)CCC#N 53e62c9df7a8a56971551bfc5bbb90ad [1,1,0,0,0,0|2,0,0]=4 2957 B14R1.33 Cc1ccc(nc1)OC(C)CCC#N 1a822eb2c510c5f6b37d6cc29ed7d132 [1,1,0,0,0,0|2,0,0]=4 2958 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Br e68b40dbb19ca98dc29177add312136c [1,1,0,0,0,0|1,0,1]=4 2959 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Cl c2dcb93324dd99c76ca7405f6613355a [1,1,0,0,0,0|1,0,1]=4 2960 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)F 1b249c8e27ad0ab16ad9f7a3d3d48399 [1,1,0,0,0,0|1,0,1]=4 2961 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)I 78c7a0586aa45337b66ae968f76acf84 [1,1,0,0,0,0|1,0,1]=4 2962 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)O 93c69a21f438543103506926ea1e4e30 [1,1,0,0,0,0|1,0,1]=4 2963 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)S 491c81deed97dcec99bc2346040a6ea6 [1,1,0,0,0,0|1,0,1]=4 2964 B14R1.34 C#CCCN(C)Cc1cccc(c1)Br 8f098c1612f958dd29e82513fb2108f6 [1,1,0,0,0,0|2,0,0]=4 2965 B14R1.34 C#CCCN(C)Cc1cccc(c1)C 435376d685b214e42b8ae859355fc13f [1,1,0,0,0,0|2,0,0]=4 2966 B14R1.34 C#CCCN(C)Cc1cccc(c1)Cl 3718c87db5361de849f95a6348786e6f [1,1,0,0,0,0|2,0,0]=4 2967 B14R1.34 C#CCCN(C)Cc1cccc(c1)F e058b97d66378ad469e7ba605be6c08e [1,1,0,0,0,0|2,0,0]=4 2968 B14R1.34 C#CCCN(C)Cc1cccc(c1)I 6cc60fe25dafb662c702eb7d226d279a [1,1,0,0,0,0|2,0,0]=4 2969 B14R1.34 C#CCNC(C)Cc1cccc(c1)F a296800b2cdfa88a7a1ad498aae617dd [1,1,0,0,0,0|0,0,1]=3 2970 B14R1.34 C#CCN[C@@H](C)Cc1cccc(c1)Cl 2c325bcd3be0e97e2180152b6f70a643 [1,1,0,0,0,0|0,0,1]=3 2971 B14R1.34 C#CCOC(C)Cc1cccc(c1)C d629c4b24f8d6b8a2bc5be7191bd349c [1,1,0,0,0,0|1,0,1]=4 2972 B14R1.34 C#CCOC(C)Cc1cccc(c1)Cl 550a7bca3b48abab58d21a4c9d0471e5 [1,1,0,0,0,0|1,0,1]=4 2973 B14R1.34 C#CCOC(C)Cc1cccc(c1)F 5693e961c17665260452294d83f8c6a0 [1,1,0,0,0,0|1,0,1]=4 2974 B14R1.34 C=CCN[C@@H](C)Cc1cccc(c1)Cl 5b47e4228ae031390d4ac5502afe28fb [1,1,0,0,0,0|0,0,2]=4 2975 B14R1.34 CC(CCC#N)Nc1cc(ccn1)Br 50ba73d30701dd6127a8325532179702 [1,1,0,0,0,0|2,0,0]=4 2976 B14R1.34 CC(CCC#N)Nc1cc(ccn1)F 0af04be00b9a46f41c70e23638cfaf67 [1,1,0,0,0,0|2,0,0]=4 2977 B14R1.34 CC(CCC#N)Nc1cc(ccn1)I a02a027b0a965f375c44bfceb9b1889c [1,1,0,0,0,0|2,0,0]=4 2978 B14R1.34 CC(CCC#N)Nc1cc[nH]c(=S)c1 39130950abb7cb3147c3d2fd91e7b51c [1,1,0,0,0,0|2,0,0]=4 2979 B14R1.34 CC(CCC#N)Nc1cccc(c1)Br fb763566431a45f27b63bde5b9b158a4 [1,1,0,0,0,0|1,0,0]=3 2980 B14R1.34 CC(CCC#N)Nc1cccc(c1)Cl a62d71caac8d2240e60f0ad9c70f89d7 [1,1,0,0,0,0|1,0,0]=3 2981 B14R1.34 CC(CCC#N)Nc1cccc(c1)F 773af6c94d7de397e34c74786568e412 [1,1,0,0,0,0|1,0,0]=3 2982 B14R1.34 CC(CCC#N)Nc1cccc(c1)I 5f7a7e9f7cfe5c9fe07103981720d008 [1,1,0,0,0,0|1,0,0]=3 2983 B14R1.34 CC(CCC#N)Nc1cccc(n1)I effd776c20f683a5aa9ab839be6c4a73 [1,1,0,0,0,0|2,0,0]=4 2984 B14R1.34 CC(CCC#N)Nc1ccnc(c1)Br 48e91823684d17f38688fec4b2bdf881 [1,1,0,0,0,0|2,0,0]=4 2985 B14R1.34 CC(CCC#N)Nc1ccnc(c1)Cl c76031b7a18f754b167deba6b31492bf [1,1,0,0,0,0|2,0,0]=4 2986 B14R1.34 CC(CCC#N)Nc1ccnc(c1)F 19c3077c857a7c124d8c6b758e097f63 [1,1,0,0,0,0|2,0,0]=4 2987 B14R1.34 CC(CCC#N)Nc1ccnc(c1)I 79c08e106917a334e138dd7adf4aa3a7 [1,1,0,0,0,0|2,0,0]=4 2988 B14R1.34 CC(CCC#N)Nc1cncc(c1)Cl b1dac4abc634bb10438738dc8dd071d5 [1,1,0,0,0,0|2,0,0]=4 2989 B14R1.34 CC(CCC#N)Nc1cncc(c1)F 755373fb4d1ec32c25ea87fc07cc20c4 [1,1,0,0,0,0|2,0,0]=4 2990 B14R1.34 CC(CCC#N)Nc1cncc(c1)I 268a208a34c569264ac5f5ec911355d9 [1,1,0,0,0,0|2,0,0]=4 2991 B14R1.34 CC(CCC#N)Oc1cc(ccn1)Br bf74caf342eb80ae950d9f34317bb2e0 [1,1,0,0,0,0|2,0,0]=4 2992 B14R1.34 CC(CCC#N)Oc1cc(ccn1)F e8b480d69528380923ba9bb31067dd30 [1,1,0,0,0,0|2,0,0]=4 2993 B14R1.34 CC(CCC#N)Oc1ccc[n+](c1)[O-] a17f57c9ccd31e8900ac2c72ff6ad819 [1,1,0,0,0,0|2,0,0]=4 2994 B14R1.34 CC(CCC#N)Oc1cccc(c1)Br 7aa3887edcc31143bbbc35b4f81bdfb4 [1,1,0,0,0,0|1,0,0]=3 2995 B14R1.34 CC(CCC#N)Oc1cccc(c1)Cl 82bd403011ddb50881c8115ca74beeb0 [1,1,0,0,0,0|1,0,0]=3 2996 B14R1.34 CC(CCC#N)Oc1cccc(c1)F 1bf949367c8ea0629ebd1eebf80cb557 [1,1,0,0,0,0|1,0,0]=3 2997 B14R1.34 CC(CCC#N)Oc1cccc(c1)I aac9f86bc92a919c5f0cf8f68d6d2692 [1,1,0,0,0,0|1,0,0]=3 2998 B14R1.34 CC(CCC#N)Oc1cccc(c1)S 0310d1e9233c05baa09c0b4c461f1a35 [1,1,0,0,0,0|1,0,0]=3 2999 B14R1.34 CC(CCC#N)Oc1cccc(n1)Br b1adcec38535749d87e653fb5fd62d5c [1,1,0,0,0,0|2,0,0]=4 3000 B14R1.34 CC(CCC#N)Oc1cccc(n1)F 8cb4bad9f4d876b5e1a0a0b3f9c40f6f [1,1,0,0,0,0|2,0,0]=4 3001 B14R1.34 CC(CCC#N)Oc1ccnc(c1)Br 782745fd1b70dde2620de44b0220a32e [1,1,0,0,0,0|2,0,0]=4 3002 B14R1.34 CC(CCC#N)Oc1ccnc(c1)Cl 13f36173220c5bd2f9f604efa6628883 [1,1,0,0,0,0|2,0,0]=4 3003 B14R1.34 CC(CCC#N)Oc1ccnc(c1)F e88406f21e1fd76f80f635a03ae61420 [1,1,0,0,0,0|2,0,0]=4 3004 B14R1.34 CC(CCC#N)Oc1cncc(c1)Cl cda8498978a87bdf8f0b00715a90d478 [1,1,0,0,0,0|2,0,0]=4 3005 B14R1.34 CC(CCC#N)Oc1cncc(c1)F 6e78dacc0afe9ef1ddb73f5af2a834cb [1,1,0,0,0,0|2,0,0]=4 3006 B14R1.34 CC(CCC#N)Oc1cncc(c1)I c9a16da1c203c98fbbb5cbc4e975b309 [1,1,0,0,0,0|2,0,0]=4 3007 B14R1.34 CC(Cc1cccc(c1)Cl)OCC#N 3c6f0cbce10c8b91b09986371fa129b9 [1,1,0,0,0,0|1,0,0]=3 3008 B14R1.34 CC(Cc1cccc(c1)Cl)OCCF ef4aa46e828ce76f5663d111ed1a660c [1,1,0,0,0,0|2,0,0]=4 3009 B14R1.34 CC(Cc1cccc(c1)Cl)OCCS 3566395952a7c68cdaa0f41e83b3c674 [1,1,0,0,0,0|2,0,0]=4 3010 B14R1.34 CC(Cc1cccc(c1)F)NCC#N b8aec1eea9d83660c1c6d0909f67ad4e [1,1,0,0,0,0|0,0,0]=2 3011 B14R1.34 CC(Cc1cccc(c1)F)NCCBr d85dda37b62be13f21fdf89c61b61aa3 [1,1,0,0,0,0|1,0,0]=3 3012 B14R1.34 CC(Cc1cccc(c1)F)NCCF 69d2e329bca70da686e574e0bfb2d2f2 [1,1,0,0,0,0|1,0,0]=3 3013 B14R1.34 CC(Cc1cccc(c1)F)NCCI 245fbede447eeaa5c2fd58b548f8b3da [1,1,0,0,0,0|1,0,0]=3 3014 B14R1.34 CC(Cc1cccc(c1)F)NCCO 953db1a3178b905ce573428135941937 [1,1,0,0,0,0|1,0,0]=3 3015 B14R1.34 CC(Cc1cccc(c1)F)OCC#N 7098a1267a1b298a1573af060037914f [1,1,0,0,0,0|1,0,0]=3 3016 B14R1.34 CC(Cc1cccc(c1)F)OCCF 998dc560cc3fa59d7f773b8b2a95104f [1,1,0,0,0,0|2,0,0]=4 3017 B14R1.34 CC(Cc1cccc(c1)F)OCCS 8afd509112686c9cdfff3006caa20dce [1,1,0,0,0,0|2,0,0]=4 3018 B14R1.34 CC(Cc1cccc(n1)F)OCC#N 2878e9d179ffdd94cc9a7e586872d275 [1,1,0,0,0,0|2,0,0]=4 3019 B14R1.34 CCCNC(C)Cc1cccc(c1)F cea990cd4d1c3cfff2eb57ea6b2d5864 [1,1,0,0,0,0|0,0,1]=3 3020 B14R1.34 CCCN[C@@H](C)Cc1cccc(c1)Cl b469a02c036100fd2c7928d8e0380230 [1,1,0,0,0,0|0,0,1]=3 3021 B14R1.34 CCCOC(C)Cc1cccc(c1)C 69f169292409fc6b98d11ab587bf028c [1,1,0,0,0,0|1,0,1]=4 3022 B14R1.34 CCCOC(C)Cc1cccc(c1)F f971b1d98496ce58fdedd4253275f102 [1,1,0,0,0,0|1,0,1]=4 3023 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Br 39d10eded80c22252613de95fd5bee49 [1,1,0,0,0,0|2,0,0]=4 3024 B14R1.34 CN(CCC#N)Cc1cc(ccn1)Cl eb9885749049142adfc8c4aefe4bd30c [1,1,0,0,0,0|2,0,0]=4 3025 B14R1.34 CN(CCC#N)Cc1cc[nH]c(=O)c1 d1214d32b2a3f727f970808d2c5698e0 [1,1,0,0,0,0|2,0,0]=4 3026 B14R1.34 CN(CCC#N)Cc1cccc(c1)Br b448efb6b9e759880253867be0d06f37 [1,1,0,0,0,0|1,0,0]=3 3027 B14R1.34 CN(CCC#N)Cc1cccc(c1)Cl b55ef82971c923e2a8ce08da7d168f11 [1,1,0,0,0,0|1,0,0]=3 3028 B14R1.34 CN(CCC#N)Cc1cccc(c1)F f4cb17022521e5d38bd625546c6bce25 [1,1,0,0,0,0|1,0,0]=3 3029 B14R1.34 CN(CCC#N)Cc1cccc(c1)I 237a777d244cd35a4bd8f9d195d01c4c [1,1,0,0,0,0|1,0,0]=3 3030 B14R1.34 CN(CCC#N)Cc1cccc(n1)Br 7d70915837e678d1554c312b2d68b777 [1,1,0,0,0,0|2,0,0]=4 3031 B14R1.34 CN(CCC#N)Cc1cccc(n1)Cl ea9b20a860983f7dfe19172f4ea5a493 [1,1,0,0,0,0|2,0,0]=4 3032 B14R1.34 CN(CCC#N)Cc1cccc(n1)F 669df3931d8dedc76a0c53fd0a00ea6b [1,1,0,0,0,0|2,0,0]=4 3033 B14R1.34 CN(CCC#N)Cc1ccnc(c1)Br 168332e61ff6d2a9d1b22082596b08dc [1,1,0,0,0,0|2,0,0]=4 3034 B14R1.34 CN(CCC#N)Cc1ccnc(c1)Cl c05ec95ecac8612e55f37f893fbd3b72 [1,1,0,0,0,0|2,0,0]=4 3035 B14R1.34 CN(CCC#N)Cc1ccnc(c1)F 5b8afdf1ee745d90e445711dbe8e27b3 [1,1,0,0,0,0|2,0,0]=4 3036 B14R1.34 CN(CCC#N)Cc1cncc(c1)Br 4e6915cb068bdb9ac7926b30ba180e0b [1,1,0,0,0,0|2,0,0]=4 3037 B14R1.34 CN(CCC#N)Cc1cncc(c1)Cl 4d1b77b216a97006039945ae2c5d6bf1 [1,1,0,0,0,0|2,0,0]=4 3038 B14R1.34 CN(CCC#N)Cc1cncc(c1)F d977f811d20214fbbe5d46bc5e4400ca [1,1,0,0,0,0|2,0,0]=4 3039 B14R1.34 CN(CSC#N)Cc1cccc(c1)F 89f650759cbb8376bb190573cbe99127 [1,1,0,0,0,0|2,0,0]=4 3040 B14R1.34 COCN[C@@H](C)Cc1cccc(c1)Cl c0c06a381b304b8adf524b415b26d12d [1,1,0,0,0,0|1,0,1]=4 3041 B14R1.34 CSCN[C@@H](C)Cc1cccc(c1)Cl 234470f9132d742085833478a8556a6c [1,1,0,0,0,0|1,0,1]=4 3042 B14R1.34 C[C@@H](Cc1cccc(c1)Cl)NCC#N 0b8f04919c02114b3765131433bec603 [1,1,0,0,0,0|0,0,0]=2 3043 B14R1.34 C[C@@H](Cc1cccc(c1)Cl)NCC=O 807e914aa85da445d3f898d0caea5080 [1,1,0,0,0,0|1,0,1]=4 3044 B14R1.34 C[C@@H](Cc1cccc(c1)Cl)NCCF cc0679f770fab7586f4f010fe886925b [1,1,0,0,0,0|1,0,0]=3 3045 B14R1.34 C[C@@H](Cc1cccc(c1)Cl)NCCO 92caef3082373d707108f2a27adb6062 [1,1,0,0,0,0|1,0,0]=3 3046 B14R1.34 C[C@@H](Cc1cccc(c1)Cl)NCCS be31188a9e485df55407d5c321a655a6 [1,1,0,0,0,0|1,0,0]=3 3047 B14R1.34 Cc1cc(ccn1)CN(C)CCC#N 14ea53df0eda0c9638183b0f88da85cb [1,1,0,0,0,0|2,0,0]=4 3048 B14R1.34 Cc1cc(ccn1)OC(C)CCC#N b580e79b74a2b660356d37599f08e49c [1,1,0,0,0,0|2,0,0]=4 3049 B14R1.34 Cc1cccc(c1)CC(=O)NCC#N 0c331fe69253a055f684af5211e45ad4 [1,1,0,0,0,0|1,0,1]=4 3050 B14R1.34 Cc1cccc(c1)CC(C)OCC#N ad3c9103ca7074d6ce041b2fc462143a [1,1,0,0,0,0|1,0,0]=3 3051 B14R1.34 Cc1cccc(c1)CC(C)OCCF eab1aa2794e5a423f915b2b98a8f0125 [1,1,0,0,0,0|2,0,0]=4 3052 B14R1.34 Cc1cccc(c1)CC(C)OCCS 04111a828d060d5be4bcbf78544a0eee [1,1,0,0,0,0|2,0,0]=4 3053 B14R1.34 Cc1cccc(c1)CN(C)CCC#N 079f48b8b50698fa895bb80ef28c2247 [1,1,0,0,0,0|1,0,0]=3 3054 B14R1.34 Cc1cccc(c1)NC(C)CCC#N 5ef4d94ef852fb338071066e33d4d6e1 [1,1,0,0,0,0|1,0,0]=3 3055 B14R1.34 Cc1cccc(c1)OC(C)CCC#N 19bf1838505c0d1efc2d52783769f2a2 [1,1,0,0,0,0|1,0,0]=3 3056 B14R1.34 Cc1cccc(n1)CC(C)OCC#N 104bc56fd319020ad5db6d20508047d6 [1,1,0,0,0,0|2,0,0]=4 3057 B14R1.34 Cc1cccc(n1)CN(C)CCC#N 1a89aa8e77389f4e91eb6aab0b084d10 [1,1,0,0,0,0|2,0,0]=4 3058 B14R1.34 Cc1ccnc(c1)CC(C)OCC#N 3f48dc7873eda0ecfd341b18cf20ddaf [1,1,0,0,0,0|2,0,0]=4 3059 B14R1.34 Cc1ccnc(c1)CN(C)CCC#N 2802cf79b1d5b4caabcc64b99620b491 [1,1,0,0,0,0|2,0,0]=4 3060 B14R1.34 Cc1ccnc(c1)NC(C)CCC#N 9389f43e4516f4057146e9fe3a493509 [1,1,0,0,0,0|2,0,0]=4 3061 B14R1.34 Cc1ccnc(c1)OC(C)CCC#N e376276bfaecf429eb33008b6cde68a1 [1,1,0,0,0,0|2,0,0]=4 3062 B14R1.34 Cc1cncc(c1)NC(C)CCC#N 277addc77747fd7792787436146ccad7 [1,1,0,0,0,0|2,0,0]=4 3063 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Br 49bb336865fdafc31d8da5562c607f69 [1,1,0,0,0,0|1,0,1]=4 3064 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Cl f0587b7b5a71842a930a51bdd9ab381b [1,1,0,0,0,0|1,0,1]=4 3065 B14R1.34 N#CCNC(=O)Cc1cccc(c1)F aa90cef59a0acc7f75b7bd3eb07f781f [1,1,0,0,0,0|1,0,1]=4 3066 B14R1.34 N#CCNC(=O)Cc1cccc(c1)I d68f5d8ef4fcd03af9fe398eeb01877e [1,1,0,0,0,0|1,0,1]=4 3067 B14R1.34 N#CCNC(=O)Cc1cccc(c1)O 94ea9e284f34aee753b09cd363a6b732 [1,1,0,0,0,0|1,0,1]=4 3068 B14R1.34 N#CCNC(=O)Cc1cccc(c1)S a38dd86c954d09c4a207ac0a2d432a17 [1,1,0,0,0,0|1,0,1]=4 3069 B14R1.60 C#CCN(C)C(C)Cc1ccccn1 d4c8d57ad0eb3e24574cdb472dc22cb5 [1,1,0,0,0,0|1,0,1]=4 3070 B14R1.60 C#CCN(C)C(C)Cc1cccnc1 f2c33a48071a03e90bd41517608919ad [1,1,0,0,0,0|1,0,1]=4 3071 B14R1.60 C=CCN(C)C(C)Cc1ccccc1 6d5f364a4c0592010ddc36c0a4847d7e [1,1,0,0,0,0|0,0,2]=4 3072 B14R1.60 CC(CC#N)N(C)Cc1ccccc1 b56192f8fb935ea0987988846b0b9ac3 [1,1,0,0,0,0|1,0,0]=3 3073 B14R1.60 CC(CC#N)N(C)Cc1ccccn1 0c24c63ab6e186bd681f3112d4161bb5 [1,1,0,0,0,0|2,0,0]=4 3074 B14R1.60 CC(CC#N)N(C)Cc1cccnc1 5182f4dcf03a895139bd4b75b5aff21c [1,1,0,0,0,0|2,0,0]=4 3075 B14R1.60 CC(CC#N)N(C)Cc1ccncc1 489065490e22dc64c1e8f58540bf4451 [1,1,0,0,0,0|2,0,0]=4 3076 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 88ef2f459e9552c42fa26122de611988 [1,1,0,0,0,0|1,0,0]=3 3077 B14R1.60 CC(Cc1ccccn1)N(C)CCF 27f95c5f812f81ca7f1ecdcd0387bcf5 [1,1,0,0,0,0|2,0,0]=4 3078 B14R1.60 CC(Cc1ccccn1)N(C)CCO 2896b768a3d5615320630832a2650e3f [1,1,0,0,0,0|2,0,0]=4 3079 B14R1.60 CC(Cc1ccccn1)N(C)CCS 75ac01d95ef6eb98a072776ca5017435 [1,1,0,0,0,0|2,0,0]=4 3080 B14R1.60 CC(Cc1cccnc1)N(C)CC#N 27980195f65e8f5bf1f322cfcf0c4b41 [1,1,0,0,0,0|1,0,0]=3 3081 B14R1.60 CC(Cc1cccnc1)N(C)CCF 532b431a86bbaf55e11bd9f571df08fe [1,1,0,0,0,0|2,0,0]=4 3082 B14R1.60 CC(Cc1cccnc1)N(C)CCO f6771b48bdd04667ca7bc8500c4e7e84 [1,1,0,0,0,0|2,0,0]=4 3083 B14R1.60 CC(Cc1cccnc1)N(C)CCS c5a3f591766443b2a1eead13b36e14c5 [1,1,0,0,0,0|2,0,0]=4 3084 B14R1.60 CC(Cc1cnccn1)N(C)CC#N da2fec768c129b47e7491be64b298ada [1,1,0,0,0,0|2,0,0]=4 3085 B14R1.60 CCCN(C)C(C)Cc1ccccn1 2580e36a089b970508636493fe17b809 [1,1,0,0,0,0|1,0,1]=4 3086 B14R1.60 CCCN(C)C(C)Cc1cccnc1 c8985805f45328af67f7a482d4c89619 [1,1,0,0,0,0|1,0,1]=4 3087 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N b645064408c52919c6f929c74a3cd07e [1,1,0,0,0,0|1,0,1]=4 3088 B14R1.166 CC(CCC#N)N(C)c1cccnc1 2dc842420cfb4f894aaa5d6623a8c4f8 [1,1,0,0,0,0|2,0,0]=4 3089 B14R1.166 CC(c1ccccn1)N(C)CCC#N 686e2a76d55552e11b73b040a295cf59 [1,1,0,0,0,0|2,0,0]=4 3090 B14R1.166 CC(c1cccnc1)N(C)CCC#N 3915384fb16f484ab3edb588909a9813 [1,1,0,0,0,0|2,0,0]=4 3091 B14R1.166 CC(c1ccncc1)N(C)CCC#N db21b4a4c1c5359b29271c40f4970144 [1,1,0,0,0,0|2,0,0]=4 3092 B14R1.166 CN(CCC#N)C(=O)c1ccccc1 2041d1d17e64791b5a6f059c59b49b58 [1,1,0,0,0,0|1,0,1]=4 3093 B14R1.166 C[C@@H](c1ccncc1)N(C)CCC#N 0334ec5174868de645f3377ee22c1643 [1,1,0,0,0,0|2,0,0]=4 3094 B14R1.166 N#CCNC(=O)C(O)c1ccccc1 6c6c16902348b9a58f5118636e87571d [1,1,0,0,0,0|1,0,1]=4 3095 B14R1.166 N#CCNC(=O)[C@@H](O)c1ccccc1 3712ffb241b38ae2b5591d018d459f2c [1,1,0,0,0,0|1,0,1]=4 3096 B14R1.166 N#CCNC(=O)[C@H](O)c1ccccc1 837f6cb5f5fef2655b33d58fdb777c16 [1,1,0,0,0,0|1,0,1]=4 3097 B14R1.423 CC(C)CNC(C)Cc1ccccn1 2e44900341e9973a50efc1f65d1dfeb0 [1,1,0,0,0,0|1,0,1]=4 3098 B14R1.423 CC(C)CNC(C)Cc1cccnc1 2e9de6e95fccae22926fbab92375794a [1,1,0,0,0,0|1,0,1]=4 3099 B14R1.423 CC(C)CNC(C)Cc1ccncc1 62cb84a443ca57c0ed140541c5dedb15 [1,1,0,0,0,0|1,0,1]=4 3100 B14R1.423 CC(C)COC(C)Cc1ccccc1 f10e449e2f5e6bbc83c6b454b7140be3 [1,1,0,0,0,0|1,0,1]=4 3101 B14R1.423 CC(C)CO[C@@H](C)Cc1ccccc1 9ca5e1ebbda307308608415316bf3325 [1,1,0,0,0,0|1,0,1]=4 3102 B14R1.423 CC(C)CO[C@H](C)Cc1ccccc1 257afa9d82c7fd7c97e65e0dd79e7d67 [1,1,0,0,0,0|1,0,1]=4 3103 B14R1.423 CC(Cc1ccccc1)OCC(F)F 4e49dfe9f8800d1bbc10be2513441528 [1,1,0,0,0,0|2,0,0]=4 3104 B14R1.423 CC(Cc1ccccn1)NCC(F)F 66ab27f9e1e82760b27d3ae57d56b344 [1,1,0,0,0,0|2,0,0]=4 3105 B14R1.423 CC(Cc1ccccn1)NC[C@@H](C)O 302f34bf100bc1923055b6195b2ce6d3 [1,1,0,0,0,0|1,0,1]=4 3106 B14R1.423 CC(Cc1ccccn1)NC[C@H](C)O 8ea5ecd0dc5ee366c1fa9da6ebbc154f [1,1,0,0,0,0|1,0,1]=4 3107 B14R1.423 CC(Cc1cccnc1)NCC(F)F 5fea21a8162119af61bbdd9c1c143c13 [1,1,0,0,0,0|2,0,0]=4 3108 B14R1.423 CC(Cc1cccnc1)NC[C@H](C)O 97540e5de60d3c5658e5a30725334e89 [1,1,0,0,0,0|1,0,1]=4 3109 B14R1.423 CC(Cc1ccncc1)NCC(F)F 00a99a5903cedde35b161833140a4005 [1,1,0,0,0,0|2,0,0]=4 3110 B14R1.423 CC(Cc1ccncc1)NC[C@H](C)O c9793aff24f4e7b13664c27417902e41 [1,1,0,0,0,0|1,0,1]=4 3111 B14R1.423 CC(O)CNC(C)Cc1ccccn1 9896c3a8e0a4636e4e3f60b4c5581139 [1,1,0,0,0,0|1,0,1]=4 3112 B14R1.423 CC(O)CNC(C)Cc1cccnc1 7a4355fcf550943e36437bf013a2ca55 [1,1,0,0,0,0|1,0,1]=4 3113 B14R1.423 CC(O)CNC(C)Cc1ccncc1 b9ea9594e73525f2b55556f2c7bcd64e [1,1,0,0,0,0|1,0,1]=4 3114 B14R1.423 C[C@@H](Cc1ccccc1)OCC(F)F 733e98e7f5f2f36e339f8eace8e053aa [1,1,0,0,0,0|2,0,0]=4 3115 B14R1.423 C[C@H](Cc1ccccc1)OCC(F)F c9777410be5cddc6a538566a6d4b3658 [1,1,0,0,0,0|2,0,0]=4 3116 B14R1.467 C#CC(Cc1ccccc1)OCC#N b20b1eb174beb72f13078478546f1eb6 [1,1,0,0,0,0|1,0,1]=4 3117 B14R1.467 C#CCCN(CC)Cc1ccccc1 c6a9816ce2ed3a2bcd0e32de1aea9171 [1,1,0,0,0,0|2,0,0]=4 3118 B14R1.467 C#CCCN(CF)Cc1ccccc1 46fc16a33bdedbccd240bedc236bb7a5 [1,1,0,0,0,0|2,0,0]=4 3119 B14R1.467 C#CCCN(CO)Cc1ccccc1 7bdb9cba79d092f97aa9c3cc901a2b36 [1,1,0,0,0,0|2,0,0]=4 3120 B14R1.467 C#CCNC(C#N)Cc1ccccc1 a0e8aae696a0d9efc076b3857c6c7caa [1,1,0,0,0,0|0,0,2]=4 3121 B14R1.467 C#CCNC(C=O)Cc1ccccc1 adf38994ad2d98e62e783e8f7cba7522 [1,1,0,0,0,0|0,0,2]=4 3122 B14R1.467 C#CCNC(CC)Cc1ccccc1 fa546ee1fbaa34421f8476489a536aaa [1,1,0,0,0,0|0,0,1]=3 3123 B14R1.467 C#CCNC(CO)Cc1ccccc1 89f04cbc9e4e64718621c8d20548182a [1,1,0,0,0,0|0,0,1]=3 3124 B14R1.467 C#CCN[C@@H](CO)Cc1ccccc1 be306a30ce5db1caa9b51ec03735e2dd [1,1,0,0,0,0|0,0,1]=3 3125 B14R1.467 C#CCN[C@H](CO)Cc1ccccc1 bc8f189aa940384980e28d14b3ba3d1f [1,1,0,0,0,0|0,0,1]=3 3126 B14R1.467 C=CCNC(CC)Cc1ccccc1 d5afa207dc006663799350d6bbdb50f3 [1,1,0,0,0,0|0,0,2]=4 3127 B14R1.467 C=CCNC(CO)Cc1ccccc1 44afa4b4dc55aca26997abf2e8d4e4cf [1,1,0,0,0,0|0,0,2]=4 3128 B14R1.467 C=CCN[C@@H](CO)Cc1ccccc1 703bb979789848c664dc00f09c43106d [1,1,0,0,0,0|0,0,2]=4 3129 B14R1.467 C=CCN[C@H](CO)Cc1ccccc1 801dc5dda06de8f8d835294bae344fa6 [1,1,0,0,0,0|0,0,2]=4 3130 B14R1.467 CCC(Cc1ccccc1)NCC#N 047599493206cf2bfe305a451e533172 [1,1,0,0,0,0|0,0,0]=2 3131 B14R1.467 CCC(Cc1ccccc1)NCC=O 528791b240f6cb13a502e007ecf3b05d [1,1,0,0,0,0|1,0,1]=4 3132 B14R1.467 CCC(Cc1ccccc1)NCCF 29053fec9d928b35441036247459c689 [1,1,0,0,0,0|1,0,0]=3 3133 B14R1.467 CCC(Cc1ccccc1)NCCO da05fa3293e3e247b743f2cb352f4f83 [1,1,0,0,0,0|1,0,0]=3 3134 B14R1.467 CCC(Cc1ccccc1)NCCS 70761abd9051e7b6a9e96ce8210c520e [1,1,0,0,0,0|1,0,0]=3 3135 B14R1.467 CCC(Cc1ccccc1)NCOC 6a78d62c1b2eedcd8fc16a308d25c459 [1,1,0,0,0,0|1,0,1]=4 3136 B14R1.467 CCC(Cc1ccccc1)NCSC d5c9a08aab461a1630da63771281bbb7 [1,1,0,0,0,0|1,0,1]=4 3137 B14R1.467 CCC(Cc1ccccc1)OCC#N e57125860a7347c0cf2192ee616321b5 [1,1,0,0,0,0|1,0,0]=3 3138 B14R1.467 CCC(Cc1ccccc1)OCCF 0559149a1c625e3035500131442b0ae3 [1,1,0,0,0,0|2,0,0]=4 3139 B14R1.467 CCC(Cc1ccccc1)OCCS ca27b2717343e4f01c19ec5f9efd9b26 [1,1,0,0,0,0|2,0,0]=4 3140 B14R1.467 CCC(Cc1ccccn1)OCC#N ad43537b30c177f10247215517a7802b [1,1,0,0,0,0|2,0,0]=4 3141 B14R1.467 CCCNC(C#N)Cc1ccccc1 b7f6a2f5cc7ca5bab970a64f2abd956f [1,1,0,0,0,0|0,0,2]=4 3142 B14R1.467 CCCNC(C=O)Cc1ccccc1 c8a07c3222b286798922153dd6e1895d [1,1,0,0,0,0|0,0,2]=4 3143 B14R1.467 CCCNC(CC)Cc1ccccc1 ce4ae77e15e7c2f3c893cdcb23d6da89 [1,1,0,0,0,0|0,0,1]=3 3144 B14R1.467 CCCNC(CO)Cc1ccccc1 aca098aea34f4ede56f6f17ce44533f3 [1,1,0,0,0,0|0,0,1]=3 3145 B14R1.467 CCCN[C@@H](CO)Cc1ccccc1 05ee3a90375fe8d7775a9c4cc1b8b2e7 [1,1,0,0,0,0|0,0,1]=3 3146 B14R1.467 CCCN[C@H](CO)Cc1ccccc1 550fab230e1c6fb54e9f2add5a3bd413 [1,1,0,0,0,0|0,0,1]=3 3147 B14R1.467 CCCOC(CC)Cc1ccccc1 bbe5b084546d65ee4d91fa93bec55d83 [1,1,0,0,0,0|1,0,1]=4 3148 B14R1.467 CCN(CCC#N)Cc1ccccc1 bd0c42d5275a22eb82d39f7380061934 [1,1,0,0,0,0|1,0,0]=3 3149 B14R1.467 CCN(CCC#N)Cc1ccccn1 69597043d2d8fa39dd721baf72e75892 [1,1,0,0,0,0|2,0,0]=4 3150 B14R1.467 CCN(CCC#N)Cc1cccnc1 802dfe8cfb16f92d9c12a0a78ad559f5 [1,1,0,0,0,0|2,0,0]=4 3151 B14R1.467 CCN(CCC#N)Cc1ccncc1 c07e479a67ac634f87616335ea572eb0 [1,1,0,0,0,0|2,0,0]=4 3152 B14R1.467 COCNC(CO)Cc1ccccc1 f421898f1aac5165206a2ecf31276119 [1,1,0,0,0,0|1,0,1]=4 3153 B14R1.467 COCN[C@@H](CO)Cc1ccccc1 026df76c950494e5a3114ada2e6afd0e [1,1,0,0,0,0|1,0,1]=4 3154 B14R1.467 COCN[C@H](CO)Cc1ccccc1 5984322a468b7173a6066e9a311c5f6e [1,1,0,0,0,0|1,0,1]=4 3155 B14R1.467 CSCNC(CO)Cc1ccccc1 106060e1c2bb275166e4d7bfbc7d7a5c [1,1,0,0,0,0|1,0,1]=4 3156 B14R1.467 CSCN[C@@H](CO)Cc1ccccc1 ca4cb62919fb0aab7f2d4bb6dd3e990a [1,1,0,0,0,0|1,0,1]=4 3157 B14R1.467 CSCN[C@H](CO)Cc1ccccc1 39e8b9e363c147925dd1afe52ccdead1 [1,1,0,0,0,0|1,0,1]=4 3158 B14R1.467 N#CC(Cc1ccccc1)NCCBr 2d6cbfc39f85aef8b1ba80e74f7fdac5 [1,1,0,0,0,0|1,0,1]=4 3159 B14R1.467 N#CC(Cc1ccccc1)NCCF ea0d38949c8cb54a75731d032396743c [1,1,0,0,0,0|1,0,1]=4 3160 B14R1.467 N#CC(Cc1ccccc1)NCCO b5c13dba0b3d8220f06f066a4c3dc08a [1,1,0,0,0,0|1,0,1]=4 3161 B14R1.467 N#CC(Cc1ccccc1)NCCS b4a1da47d42c5de595b006b2f02d3aaf [1,1,0,0,0,0|1,0,1]=4 3162 B14R1.467 N#CCCN(C=O)Cc1ccccc1 bfc5765cfcba6b67529922f81030159c [1,1,0,0,0,0|1,0,1]=4 3163 B14R1.467 N#CCCN(CF)Cc1ccccc1 83251ece23c2944c5978704405f8effe [1,1,0,0,0,0|1,0,0]=3 3164 B14R1.467 N#CCCN(CF)Cc1cccnc1 55f704c3a9933f102b386830c90ea84f [1,1,0,0,0,0|2,0,0]=4 3165 B14R1.467 N#CCCN(CO)Cc1ccccc1 bcadeb42891accb6857ab6b018a96f94 [1,1,0,0,0,0|1,0,0]=3 3166 B14R1.467 N#CCCN(CO)Cc1cccnc1 38deaa7c6eefbcb84fbf6928b3f8ccc7 [1,1,0,0,0,0|2,0,0]=4 3167 B14R1.467 N#CCNC(C#N)Cc1ccccc1 36a6558e07189b76387d5b23aeee1a03 [1,1,0,0,0,0|0,0,1]=3 3168 B14R1.467 N#CCNC(C=O)Cc1ccccc1 eeef0de03093ea8a8c8e5941409edfee [1,1,0,0,0,0|0,0,1]=3 3169 B14R1.467 N#CCNC(CO)Cc1ccccc1 4447fd6e8313bcfef70a36ab6aa14474 [1,1,0,0,0,0|0,0,0]=2 3170 B14R1.467 N#CCN[C@@H](CO)Cc1ccccc1 ec6858eff28b8defc491c97cf65a8636 [1,1,0,0,0,0|0,0,0]=2 3171 B14R1.467 N#CCN[C@H](CO)Cc1ccccc1 e7a97c30d9d6f1756d0a4f307cc47b4c [1,1,0,0,0,0|0,0,0]=2 3172 B14R1.467 N#CNCC(C#N)Cc1ccccc1 4da305768fe9a4408d7e2c2f063cff40 [1,1,0,0,0,0|1,0,1]=4 3173 B14R1.467 O=CC(Cc1ccccc1)NCCBr 744f26dbc4811bbe6cf786fbbec2af0d [1,1,0,0,0,0|1,0,1]=4 3174 B14R1.467 O=CC(Cc1ccccc1)NCCF ade7ddb0de07fbd4d252af2664df3ca6 [1,1,0,0,0,0|1,0,1]=4 3175 B14R1.467 O=CC(Cc1ccccc1)NCCI b1457f93a7e610fc5c87a115489a4e52 [1,1,0,0,0,0|1,0,1]=4 3176 B14R1.467 O=CC(Cc1ccccc1)NCCO a13c6a159b7a5a5dd8033aa331170fe4 [1,1,0,0,0,0|1,0,1]=4 3177 B14R1.467 O=CC(Cc1ccccc1)NCCS 4fcf585778718253f560704f503dab8b [1,1,0,0,0,0|1,0,1]=4 3178 B14R1.467 O=CCNC(CO)Cc1ccccc1 be4c7c5e88d7a2d997996812569efe94 [1,1,0,0,0,0|1,0,1]=4 3179 B14R1.467 O=CCN[C@@H](CO)Cc1ccccc1 6e4faf3858b36741a3c85e8388a1943d [1,1,0,0,0,0|1,0,1]=4 3180 B14R1.467 O=CCN[C@H](CO)Cc1ccccc1 21aed2474a2d0a5ed20e1804d2fb0da9 [1,1,0,0,0,0|1,0,1]=4 3181 B14R1.467 OCC(Cc1ccccc1)NCCF 2e64e9ba09b48277b1bcf6d50988491d [1,1,0,0,0,0|1,0,0]=3 3182 B14R1.467 OCC(Cc1ccccc1)NCCS 2ea4faac9dc05aad7ad0bf715a31b4ec [1,1,0,0,0,0|1,0,0]=3 3183 B14R1.467 OCCNC(CO)Cc1ccccc1 77f3f903f3b64594c1920543eaea671a [1,1,0,0,0,0|1,0,0]=3 3184 B14R1.467 OCCN[C@@H](CO)Cc1ccccc1 77562f2eb5c04c97db0994052904c8b1 [1,1,0,0,0,0|1,0,0]=3 3185 B14R1.467 OCCN[C@H](CO)Cc1ccccc1 fe74e718daf5deb6354bb3efb8a805b1 [1,1,0,0,0,0|1,0,0]=3 3186 B14R1.467 OC[C@@H](Cc1ccccc1)NCCF 1320705de7975c7855cf17c2a130ed34 [1,1,0,0,0,0|1,0,0]=3 3187 B14R1.467 OC[C@@H](Cc1ccccc1)NCCS b58a31b68ed75d3ac43161b232c304b6 [1,1,0,0,0,0|1,0,0]=3 3188 B14R1.467 OC[C@H](Cc1ccccc1)NCCF 0f6f38d75910bacd141e413bdfd9c236 [1,1,0,0,0,0|1,0,0]=3 3189 B14R1.467 OC[C@H](Cc1ccccc1)NCCS aee311a81fad0ea071d7170e10b82d26 [1,1,0,0,0,0|1,0,0]=3 3190 B14R1.743 C#CC(C)NC(C)Cc1ccccc1 208444991f2c3f0bcaacc93fc1dccd12 [1,1,0,0,0,0|0,0,1]=3 3191 B14R1.743 C#C[C@@H](C)NC(C)Cc1ccccc1 248e8d682df6690b09070ec8df771651 [1,1,0,0,0,0|0,0,1]=3 3192 B14R1.743 C#C[C@H](C)NC(C)Cc1ccccc1 8c85135c547083a184fa73eb8b306ab2 [1,1,0,0,0,0|0,0,1]=3 3193 B14R1.743 C=C(C#N)CN(C)Cc1ccccc1 ba2222c2875682170d5640e2b9734c91 [1,1,0,0,0,0|1,0,1]=4 3194 B14R1.743 C=CC(C)NC(C)Cc1ccccc1 3d02360185673ddb44aac80b3fae467e [1,1,0,0,0,0|0,0,2]=4 3195 B14R1.743 CC(C#N)CN(C)Cc1ccccc1 858074a22f089a9a05aa5cc4faf82f99 [1,1,0,0,0,0|1,0,0]=3 3196 B14R1.743 CC(C#N)CN(C)Cc1ccccn1 575ad387d3fa91282a2da37540dbe03f [1,1,0,0,0,0|2,0,0]=4 3197 B14R1.743 CC(C#N)CN(C)Cc1cccnc1 17c8495a1e0f3508f559d9d05ef7ef1a [1,1,0,0,0,0|2,0,0]=4 3198 B14R1.743 CC(C#N)CN(C)Cc1ccncc1 8ea313e2c731eef51684201bce427f81 [1,1,0,0,0,0|2,0,0]=4 3199 B14R1.743 CC(CO)NC(C)Cc1ccccn1 a2e01ddfd3aee2529b075aa5d0788bb5 [1,1,0,0,0,0|2,0,0]=4 3200 B14R1.743 CC(CO)NC(C)Cc1cccnc1 29c225e9a135d8fc16d34ae17e88bdf4 [1,1,0,0,0,0|2,0,0]=4 3201 B14R1.743 CC(CO)NC(C)Cc1ccncc1 c45b9af46c64307d0cda8a5b788f357a [1,1,0,0,0,0|2,0,0]=4 3202 B14R1.743 CC(Cc1ccccn1)N[C@@H](C)CO 704f977980da328c93df625f83c3066d [1,1,0,0,0,0|2,0,0]=4 3203 B14R1.743 CC(Cc1ccccn1)N[C@H](C)CO d07885f5207e841b482b5860eaa87dc2 [1,1,0,0,0,0|2,0,0]=4 3204 B14R1.743 CC(Cc1cccnc1)N[C@@H](C)CO 02d9241391b1e3270d56ef0ce87943c9 [1,1,0,0,0,0|2,0,0]=4 3205 B14R1.743 CC(Cc1cccnc1)N[C@H](C)CO 71098f97a97af1bf0065fcee34d88a3c [1,1,0,0,0,0|2,0,0]=4 3206 B14R1.743 CC(Cc1ccncc1)N[C@@H](C)CO b4c2591c07344651d593b398a22385b8 [1,1,0,0,0,0|2,0,0]=4 3207 B14R1.743 CC(Cc1ccncc1)N[C@H](C)CO 1e67570384371164114ee6f23b09ab9c [1,1,0,0,0,0|2,0,0]=4 3208 B14R1.743 CCC(C)NC(C)Cc1ccccn1 1abce4ea036c603106279e68001a6ea8 [1,1,0,0,0,0|1,0,1]=4 3209 B14R1.743 CCC(C)NC(C)Cc1cccnc1 2a2dcba342cadbdeff61c6a82b36ca50 [1,1,0,0,0,0|1,0,1]=4 3210 B14R1.743 CCC(C)NC(C)Cc1ccncc1 981ead26285d5c60cd6382c0da76df52 [1,1,0,0,0,0|1,0,1]=4 3211 B14R1.743 CCC(C)OC(C)Cc1ccccc1 e10770498a4125a279ef5e5af43378b2 [1,1,0,0,0,0|1,0,1]=4 3212 B14R1.743 CCC(C)O[C@@H](C)Cc1ccccc1 4db3c3d9c06459bb87171784720bd012 [1,1,0,0,0,0|1,0,1]=4 3213 B14R1.743 CCC(C)O[C@H](C)Cc1ccccc1 ddb550692f93641235abb8b45fa9d802 [1,1,0,0,0,0|1,0,1]=4 3214 B14R1.946 C#CCCN(C)Cc1ccccc1Br 084dfd227fe23d79830199f089dbf077 [1,1,0,0,0,0|2,0,0]=4 3215 B14R1.946 C#CCCN(C)Cc1ccccc1C 950d2c597ee6cee4e287df4566ec5686 [1,1,0,0,0,0|2,0,0]=4 3216 B14R1.946 C#CCCN(C)Cc1ccccc1Cl ca3f4092915ce892bcd52a29eaf18abf [1,1,0,0,0,0|2,0,0]=4 3217 B14R1.946 C#CCCN(C)Cc1ccccc1F 6a162781763bfb3f3f962a70cbbc9dbb [1,1,0,0,0,0|2,0,0]=4 3218 B14R1.946 C#CCCN(C)Cc1ccccc1I 7efcdada61e85c228cc4c9cdedc930b7 [1,1,0,0,0,0|2,0,0]=4 3219 B14R1.946 C#CCOC(C)Cc1ccccc1Cl 69eca8ffc9589c2398848ddb089c67a4 [1,1,0,0,0,0|1,0,1]=4 3220 B14R1.946 CC(CCC#N)Nc1ccc[nH]c1=S b31e23efd92c05d27e8e9bb7f96039a4 [1,1,0,0,0,0|2,0,0]=4 3221 B14R1.946 CC(CCC#N)Nc1cccc[n+]1[O-] 32c990ad2b569deb384c1dab7bec4886 [1,1,0,0,0,0|2,0,0]=4 3222 B14R1.946 CC(CCC#N)Nc1cccnc1Br 00672dcf03d21ebba2f46755ee03ec4d [1,1,0,0,0,0|2,0,0]=4 3223 B14R1.946 CC(CCC#N)Nc1cccnc1I 90d9ed06744ceaeb8fd23e935cb1c7ad [1,1,0,0,0,0|2,0,0]=4 3224 B14R1.946 CC(CCC#N)Nc1ccncc1Br e9afec146a64966960347469cc50e33c [1,1,0,0,0,0|2,0,0]=4 3225 B14R1.946 CC(CCC#N)Nc1ccncc1Cl f2bd6630be42002c7abdf5e0f9e09e66 [1,1,0,0,0,0|2,0,0]=4 3226 B14R1.946 CC(CCC#N)Nc1ccncc1F 908e00d5ed964e50b6de4392ecf1973d [1,1,0,0,0,0|2,0,0]=4 3227 B14R1.946 CC(CCC#N)Nc1ccncc1I 01820cfdd5214db669c1b88f38f46890 [1,1,0,0,0,0|2,0,0]=4 3228 B14R1.946 CC(CCC#N)Nc1cnccc1Br 7c248cb96870ef9ac0e1cdecaf40a1a6 [1,1,0,0,0,0|2,0,0]=4 3229 B14R1.946 CC(CCC#N)Nc1cnccc1Cl a60e6a8dc88c955e9bc588a18a8c4ed2 [1,1,0,0,0,0|2,0,0]=4 3230 B14R1.946 CC(CCC#N)Nc1cnccc1F fc7fbe65099e902c27c64c3c34b05da4 [1,1,0,0,0,0|2,0,0]=4 3231 B14R1.946 CC(CCC#N)Nc1cnccc1I a3a9f5ffa5bc3f46ac14f4609c49453f [1,1,0,0,0,0|2,0,0]=4 3232 B14R1.946 CC(CCC#N)Nc1ncccc1I b0720203a366f8794641d9145adb4375 [1,1,0,0,0,0|2,0,0]=4 3233 B14R1.946 CC(CCC#N)Oc1ccc[nH]c1=S 6e9052f31891a40f451834e24f366acb [1,1,0,0,0,0|2,0,0]=4 3234 B14R1.946 CC(CCC#N)Oc1cccc[n+]1[O-] acd8ed6043b29bd98a8b930f7cdf46c3 [1,1,0,0,0,0|2,0,0]=4 3235 B14R1.946 CC(CCC#N)Oc1ccccc1Cl 43c394732a3306ae766625fc2d890dea [1,1,0,0,0,0|1,0,0]=3 3236 B14R1.946 CC(CCC#N)Oc1ccccc1I 8db1c2d7477b0651c7bb8f7e81b786d4 [1,1,0,0,0,0|1,0,0]=3 3237 B14R1.946 CC(CCC#N)Oc1cccnc1Br 20d0935f1439e8b111e64ca0489b16a8 [1,1,0,0,0,0|2,0,0]=4 3238 B14R1.946 CC(CCC#N)Oc1cccnc1Cl 5beec54f22199d83d45595dd822c93fc [1,1,0,0,0,0|2,0,0]=4 3239 B14R1.946 CC(CCC#N)Oc1cccnc1F 3e892aa66856c47a8132f0873dab148a [1,1,0,0,0,0|2,0,0]=4 3240 B14R1.946 CC(CCC#N)Oc1cccnc1I b499d0270b79b1d0e2f0de26ce2687b5 [1,1,0,0,0,0|2,0,0]=4 3241 B14R1.946 CC(CCC#N)Oc1cccoc1=O 02f406b12bd123e66e8482e31c1f6261 [1,1,0,0,0,0|2,0,0]=4 3242 B14R1.946 CC(CCC#N)Oc1ccncc1Br e8539a5eee4ef8e90e82c166a2e71644 [1,1,0,0,0,0|2,0,0]=4 3243 B14R1.946 CC(CCC#N)Oc1ccncc1Cl b474e99ae56efb5e70965202eb1995b2 [1,1,0,0,0,0|2,0,0]=4 3244 B14R1.946 CC(CCC#N)Oc1ccncc1F 4d1b4f92003d154211b55781b3aa90ea [1,1,0,0,0,0|2,0,0]=4 3245 B14R1.946 CC(CCC#N)Oc1cnccc1Br 6ee5f5710f714087ad5964ec3b8f8083 [1,1,0,0,0,0|2,0,0]=4 3246 B14R1.946 CC(CCC#N)Oc1cnccc1F 82f206d58a5ba4133d0c601e84a2375d [1,1,0,0,0,0|2,0,0]=4 3247 B14R1.946 CC(CCC#N)Oc1cnccc1I b70f2a15b07396fef916c1827299dc5a [1,1,0,0,0,0|2,0,0]=4 3248 B14R1.946 CC(CCC#N)Oc1coccc1=O ef4a36939c5150b50166a73159c3a166 [1,1,0,0,0,0|2,0,0]=4 3249 B14R1.946 CC(CCC#N)Oc1ncccc1Cl 415bec5ee6c4135669f902a2356de267 [1,1,0,0,0,0|2,0,0]=4 3250 B14R1.946 CC(CCC#N)Oc1ncccc1F edddab2a68b4b0d101443bbf5981912e [1,1,0,0,0,0|2,0,0]=4 3251 B14R1.946 CC(CCC#N)On1ccccc1=N 03d1579ca8864bbf9df00eb87a4040e2 [1,1,0,0,0,0|2,0,0]=4 3252 B14R1.946 CC(CCC#N)On1ccccc1=O 504970b70ac5c5c237b9a3c9c6a6496d [1,1,0,0,0,0|2,0,0]=4 3253 B14R1.946 CC(CCC#N)On1ccccc1=S 21b737a5752589bb581e36f5a0187ec2 [1,1,0,0,0,0|2,0,0]=4 3254 B14R1.946 CC(Cc1ccccc1Cl)OCC#N 071b2c9c8c347cbaa8d9f13330689997 [1,1,0,0,0,0|1,0,0]=3 3255 B14R1.946 CC(Cc1ccccc1Cl)OCCF 7ac257c6280e935f9bae5f3d6e6c2e98 [1,1,0,0,0,0|2,0,0]=4 3256 B14R1.946 CC(Cc1ccccc1Cl)OCCS 632526c41bddb4502099896b84b0f2b4 [1,1,0,0,0,0|2,0,0]=4 3257 B14R1.946 CCCOC(C)Cc1ccccc1Cl 02b5b7a412b217b5949ad27ff5770d0a [1,1,0,0,0,0|1,0,1]=4 3258 B14R1.946 CN(CCC#N)Cc1ccccc1Br d1a2c83c3291c3538c2b21e2faff38e1 [1,1,0,0,0,0|1,0,0]=3 3259 B14R1.946 CN(CCC#N)Cc1ccccc1Cl 89e3931e6c3391650cff03a3c0351b52 [1,1,0,0,0,0|1,0,0]=3 3260 B14R1.946 CN(CCC#N)Cc1ccccc1F 648551d91113d7935c5562866f874e92 [1,1,0,0,0,0|1,0,0]=3 3261 B14R1.946 CN(CCC#N)Cc1ccccc1I 6ab1c114b1f60feae2decb02eee5273d [1,1,0,0,0,0|1,0,0]=3 3262 B14R1.946 CN(CCC#N)Cc1cccnc1Br 4e5d34a6bcd14ee338e553284480dc3c [1,1,0,0,0,0|2,0,0]=4 3263 B14R1.946 CN(CCC#N)Cc1cccnc1Cl 5bbd999ab4102849246c73a16338d255 [1,1,0,0,0,0|2,0,0]=4 3264 B14R1.946 CN(CCC#N)Cc1cccnc1F c4557c77efcdfda43dec5222d822b50f [1,1,0,0,0,0|2,0,0]=4 3265 B14R1.946 CN(CCC#N)Cc1ccncc1Cl e815888f7e4e6ec81a50b655cac6b2c4 [1,1,0,0,0,0|2,0,0]=4 3266 B14R1.946 CN(CCC#N)Cc1ncccc1Br 650d2ef5baf17d662f5abd79054eb498 [1,1,0,0,0,0|2,0,0]=4 3267 B14R1.946 CN(CCC#N)Cc1ncccc1Cl b6ddd643dd8738ce5a7e948138aa61cb [1,1,0,0,0,0|2,0,0]=4 3268 B14R1.946 CN(CCC#N)Cc1ncccc1F cb5c73a0b5ca8bf3f97eb7e4e55bb8e2 [1,1,0,0,0,0|2,0,0]=4 3269 B14R1.946 Cc1ccccc1CC(=O)NCC#N b5177ca994bba3880474aed993041d08 [1,1,0,0,0,0|1,0,1]=4 3270 B14R1.946 Cc1ccccc1CC(C)OCCS 914155b5ca382679965dc160f284ab81 [1,1,0,0,0,0|2,0,0]=4 3271 B14R1.946 Cc1cccnc1CC(C)OCC#N 5e9e13c6c486ce6673649b522d316fbe [1,1,0,0,0,0|2,0,0]=4 3272 B14R1.946 Cc1cccnc1CN(C)CCC#N 212bf649221a19e1a2de31f8de09414b [1,1,0,0,0,0|2,0,0]=4 3273 B14R1.946 Cc1cccnc1NC(C)CCC#N d58f0c2168e871255430f0c06020076f [1,1,0,0,0,0|2,0,0]=4 3274 B14R1.946 Cc1cccnc1OC(C)CCC#N d9db006072b7ae54307b71f850c81aa6 [1,1,0,0,0,0|2,0,0]=4 3275 B14R1.946 Cc1ccncc1NC(C)CCC#N 56e577efc555ac116b1ddc9cbedfea3f [1,1,0,0,0,0|2,0,0]=4 3276 B14R1.946 Cc1ccncc1OC(C)CCC#N c0ed5b1cb45478297fa1b05497c787dc [1,1,0,0,0,0|2,0,0]=4 3277 B14R1.946 Cc1cnccc1NC(C)CCC#N ff5e9d45a86455b5b110deae55e95140 [1,1,0,0,0,0|2,0,0]=4 3278 B14R1.946 Cc1cnccc1OC(C)CCC#N 04f9425a2dfc771b5de1eed817d56315 [1,1,0,0,0,0|2,0,0]=4 3279 B14R1.946 Cc1ncccc1CN(C)CCC#N 229d329141a635507cd52e68f1d8619f [1,1,0,0,0,0|2,0,0]=4 3280 B14R1.946 Cc1ncccc1NC(C)CCC#N ce0f0f65ee65fcd4d954e32f5928b969 [1,1,0,0,0,0|2,0,0]=4 3281 B14R1.946 Cc1ncccc1OC(C)CCC#N 60b9eecb1aeee05fc25aae011a192f45 [1,1,0,0,0,0|2,0,0]=4 3282 B14R1.946 N#CCNC(=O)Cc1ccccc1Br 40c65f54996da8af791bbb2097a3d7a5 [1,1,0,0,0,0|1,0,1]=4 3283 B14R1.946 N#CCNC(=O)Cc1ccccc1Cl 8a7d34607316542185ce44426a9dc89e [1,1,0,0,0,0|1,0,1]=4 3284 B14R1.946 N#CCNC(=O)Cc1ccccc1F c01ad9df450808fc62c2bb6a7a679217 [1,1,0,0,0,0|1,0,1]=4 3285 B14R1.946 N#CCNC(=O)Cc1ccccc1I 4efec04b17efc500530d47a2933e77c1 [1,1,0,0,0,0|1,0,1]=4 3286 B14R1.946 N#CCNC(=O)Cc1ccccc1O 4c98a65f3d414ebd3175d18411225316 [1,1,0,0,0,0|1,0,1]=4 3287 B14R1.946 N#CNCC(O)Cc1ccccc1F 7aee74b19702022a95d17e4338b58a30 [1,1,0,0,0,0|2,0,0]=4 3288 B14R1.4528 CC(C)(CCC#N)Nc1ccccc1 7fd56dfe1c800423249621c89373cd04 [1,1,0,0,0,0|1,0,0]=3 3289 B14R1.4528 CC(C)(CCC#N)Nc1cccnc1 5ac019cb05e50eff8b3bfb743b27ebd3 [1,1,0,0,0,0|2,0,0]=4 3290 B14R1.19 C#CCCNC(C)c1ccc(cc1)Br 8e51ac774c04bb033fdcbd18e7ce3a23 [0,1,0,0,1,0|1,0,0]=3 3291 B14R1.19 C#CCCNC(C)c1ccc(cc1)C 4d833a4bec22e2b125dbd89d78591d8c [0,1,0,0,1,0|1,0,0]=3 3292 B14R1.19 C#CCCNC(C)c1ccc(cc1)Cl be6e2d440d0975ae48c3f9c5c9883b3e [0,1,0,0,1,0|1,0,0]=3 3293 B14R1.19 C#CCCNC(C)c1ccc(cc1)F 54d3ec727054b78201e04f4c1aa0b02d [0,1,0,0,1,0|1,0,0]=3 3294 B14R1.19 C#CCCNC(C)c1ccc(cc1)I 0885567de20f491e5ed4cdbdfa780f88 [0,1,0,0,1,0|1,0,0]=3 3295 B14R1.19 C#CCCNC(C)c1ccc(cn1)Br 6431907cfc936fbae1d93c1ed7545ba8 [0,1,0,0,1,0|2,0,0]=4 3296 B14R1.19 C#CCCNC(C)c1ccc(cn1)C 3e077e1fefb0e6528555fc0a34c5b31f [0,1,0,0,1,0|2,0,0]=4 3297 B14R1.19 C#CCCNC(C)c1ccc(cn1)Cl 028b45c54c6f12035e082dfbf113f7bb [0,1,0,0,1,0|2,0,0]=4 3298 B14R1.19 C#CCCNC(C)c1ccc(cn1)F 89e8203bd145fab369fa965ecbaa3152 [0,1,0,0,1,0|2,0,0]=4 3299 B14R1.19 C#CCCNC(C)c1ccc(nc1)Br 748724dee531779affd70497e03ee628 [0,1,0,0,1,0|2,0,0]=4 3300 B14R1.19 C#CCCNC(C)c1ccc(nc1)C 8ef2797f89379980633e4a72de45f553 [0,1,0,0,1,0|2,0,0]=4 3301 B14R1.19 C#CCCNC(C)c1ccc(nc1)Cl 6c0d122ac88d058f9be5ed780ab798bf [0,1,0,0,1,0|2,0,0]=4 3302 B14R1.19 C#CCCNC(C)c1ccc(nc1)F 5a85603f1d96be6d5a178557822e07c2 [0,1,0,0,1,0|2,0,0]=4 3303 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)Br 9465a22c8546a58d162d259ec14a457f [0,1,0,0,1,0|1,0,0]=3 3304 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)C fcedaff32cad2fbfdf23eda12503936f [0,1,0,0,1,0|1,0,0]=3 3305 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)Cl 94f4ca0d48e69272780542fb0a97c009 [0,1,0,0,1,0|1,0,0]=3 3306 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)F e16f9dbe35ba6d32f932a6fa3bd44b84 [0,1,0,0,1,0|1,0,0]=3 3307 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)I b9c628fb6f2c4e56489dfb1301ef896d [0,1,0,0,1,0|1,0,0]=3 3308 B14R1.19 C#CCCN[C@@H](C)c1ccc(cn1)Br b10972bdbe9dadf6b0a4928d2a2584c8 [0,1,0,0,1,0|2,0,0]=4 3309 B14R1.19 C#CCCN[C@@H](C)c1ccc(cn1)Cl 39dc09ba7810f8dfea581faf783dc6b8 [0,1,0,0,1,0|2,0,0]=4 3310 B14R1.19 C#CCCN[C@@H](C)c1ccc(cn1)F 76b7dbae0c2ce5cfea1f8b1cd4173a10 [0,1,0,0,1,0|2,0,0]=4 3311 B14R1.19 C#CCCN[C@@H](C)c1ccc(nc1)Br 30c60080369f1fb85191a6ce40d3e41a [0,1,0,0,1,0|2,0,0]=4 3312 B14R1.19 C#CCCN[C@@H](C)c1ccc(nc1)C 4b59c4346133fff8c9bfaab799386539 [0,1,0,0,1,0|2,0,0]=4 3313 B14R1.19 C#CCCN[C@@H](C)c1ccc(nc1)Cl 78200e1c31ab43629c5a0980f2456d37 [0,1,0,0,1,0|2,0,0]=4 3314 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Br 7aa9e3bdf75c403e85455b1e6c7dafa4 [0,1,0,0,1,0|1,0,0]=3 3315 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)C d91bcd94b943f1567ab8f1912fb7f43c [0,1,0,0,1,0|1,0,0]=3 3316 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Cl 6692ca360e41d4610afd27ff5d1da24c [0,1,0,0,1,0|1,0,0]=3 3317 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)F 24e045bcc0f4f3dbb059dc38c4cec98d [0,1,0,0,1,0|1,0,0]=3 3318 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)I 3c139711854bb5707c3997cd2483370c [0,1,0,0,1,0|1,0,0]=3 3319 B14R1.19 C#CCCN[C@H](C)c1ccc(cn1)Br b13e0db99ed40ae6ec315337030a99f2 [0,1,0,0,1,0|2,0,0]=4 3320 B14R1.19 C#CCCN[C@H](C)c1ccc(cn1)C 3b25c20536b9de2de202ffe883312ca3 [0,1,0,0,1,0|2,0,0]=4 3321 B14R1.19 C#CCCN[C@H](C)c1ccc(nc1)Br 0dabf577b3bdf671b23191e53cf02091 [0,1,0,0,1,0|2,0,0]=4 3322 B14R1.19 C#CCCN[C@H](C)c1ccc(nc1)C ebeda567545f825e6756945008064250 [0,1,0,0,1,0|2,0,0]=4 3323 B14R1.19 C#CCCN[C@H](C)c1ccc(nc1)Cl 4b3b7b966b7862ea4e12cf42c9a0dc2d [0,1,0,0,1,0|2,0,0]=4 3324 B14R1.19 C#CCCOC(C)c1ccc(cc1)Br 85a9bcd652c6f03e07c41a9ec88d5e9d [0,1,0,0,1,0|2,0,0]=4 3325 B14R1.19 C#CCCOC(C)c1ccc(cc1)C 778b0686e13862856d8119ca95c9ed30 [0,1,0,0,1,0|2,0,0]=4 3326 B14R1.19 C#CCCOC(C)c1ccc(cc1)Cl 9e40ee1b9001ccb6f67f967ce50319a1 [0,1,0,0,1,0|2,0,0]=4 3327 B14R1.19 C#CCCOC(C)c1ccc(cc1)F ed8f962f59cd11a139a8c227e599b38a [0,1,0,0,1,0|2,0,0]=4 3328 B14R1.19 C#CCCOC(C)c1ccc(cc1)I 4c503f7b9e9ad03cb9f61d913875d8c9 [0,1,0,0,1,0|2,0,0]=4 3329 B14R1.19 C#CCCO[C@@H](C)c1ccc(cc1)Br 86044fc3e8baee233eea48af9c854f35 [0,1,0,0,1,0|2,0,0]=4 3330 B14R1.19 C#CCCO[C@@H](C)c1ccc(cc1)C c951c0219b30b041b9d411e05f058b1e [0,1,0,0,1,0|2,0,0]=4 3331 B14R1.19 C#CCCO[C@@H](C)c1ccc(cc1)Cl 181f467e5cf50054cfeeac524932c375 [0,1,0,0,1,0|2,0,0]=4 3332 B14R1.19 C#CCCO[C@@H](C)c1ccc(cc1)F 8597d2e15ef3530c19396759b15b2bfd [0,1,0,0,1,0|2,0,0]=4 3333 B14R1.19 C#CCCO[C@@H](C)c1ccc(cc1)I 6040c5dac11b1c29dee0b74ab4794dd0 [0,1,0,0,1,0|2,0,0]=4 3334 B14R1.19 C#CCCO[C@H](C)c1ccc(cc1)Br 7f6b5ccb0acafc4f1bf2abd255cad24a [0,1,0,0,1,0|2,0,0]=4 3335 B14R1.19 C#CCCO[C@H](C)c1ccc(cc1)C 1db73e3aeb2ca411a34b9e7988573ccb [0,1,0,0,1,0|2,0,0]=4 3336 B14R1.19 C#CCCO[C@H](C)c1ccc(cc1)Cl 60d4d60c2b45cb254ab0d1e19362e531 [0,1,0,0,1,0|2,0,0]=4 3337 B14R1.19 C#CCCO[C@H](C)c1ccc(cc1)F 0c930f40d60763023084a276cdf87bed [0,1,0,0,1,0|2,0,0]=4 3338 B14R1.19 C#CCCO[C@H](C)c1ccc(cc1)I 92b50db1c172f36757b18f5fcdc41394 [0,1,0,0,1,0|2,0,0]=4 3339 B14R1.19 C=CCCNC(C)c1ccc(cc1)Br a43ffbbaf034306dce15cea6d888c235 [0,1,0,0,1,0|1,0,1]=4 3340 B14R1.19 C=CCCNC(C)c1ccc(cc1)C cf37f7b693859b107e3825cb9ae3e302 [0,1,0,0,1,0|1,0,1]=4 3341 B14R1.19 C=CCCNC(C)c1ccc(cc1)Cl 553c63ea91c4490ce01b250db2619e8e [0,1,0,0,1,0|1,0,1]=4 3342 B14R1.19 C=CCCNC(C)c1ccc(cc1)F a06432641f28129c67d3ec348679e86e [0,1,0,0,1,0|1,0,1]=4 3343 B14R1.19 C=CCCNC(C)c1ccc(cc1)I 8ab1156e931eef8355c28060248bc78a [0,1,0,0,1,0|1,0,1]=4 3344 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)Br 2072ea8c3996161a8670a6e817dae92f [0,1,0,0,1,0|1,0,1]=4 3345 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)C 60c8750bbb3f8f30cfb19c6ea59e374c [0,1,0,0,1,0|1,0,1]=4 3346 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)Cl 99011594a762b897924fe9dedebf16f6 [0,1,0,0,1,0|1,0,1]=4 3347 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)F bcad6771adc840726c808e82206e2d1e [0,1,0,0,1,0|1,0,1]=4 3348 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)I c943b594d7df5a427c5ff382092d4d7d [0,1,0,0,1,0|1,0,1]=4 3349 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Br 74835ff2881c42a4d26cdf42dbf19150 [0,1,0,0,1,0|1,0,1]=4 3350 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)C 11f191786b2a47f547e4e5ab6a82d493 [0,1,0,0,1,0|1,0,1]=4 3351 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Cl ceba112d7bda50b76c39523652af398c [0,1,0,0,1,0|1,0,1]=4 3352 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)F a47381699a7b14dcab71129221806791 [0,1,0,0,1,0|1,0,1]=4 3353 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)I f0e555317f8915a23c7841f4b7a0969b [0,1,0,0,1,0|1,0,1]=4 3354 B14R1.19 CC#CCNC(C)c1ccc(cc1)Br f33d4b114f6238386890cc80c4c41e18 [0,1,0,0,1,0|1,0,1]=4 3355 B14R1.19 CC(CNCC#N)c1ccc(cc1)Br 2a20cc45b44bb6ef00d5afda9bfe415d [0,1,0,0,1,0|2,0,0]=4 3356 B14R1.19 CC(COCC#N)c1ccc(cc1)Cl 54494586de707f3675d089893791be0b [0,1,0,0,1,0|2,0,0]=4 3357 B14R1.19 CC(COCC#N)c1ccc(cc1)F 0103a9f8b9ae65e6a7d681e30269d407 [0,1,0,0,1,0|2,0,0]=4 3358 B14R1.19 CC(NCCC#N)c1ccc(cc1)Br ebfb3d2cd72dd7f027a8ce02ae55d87a [0,1,0,0,1,0|0,0,0]=2 3359 B14R1.19 CC(NCCC#N)c1ccc(cc1)Cl bfdb639b12d31c73c7ce677f13a993b2 [0,1,0,0,1,0|0,0,0]=2 3360 B14R1.19 CC(NCCC#N)c1ccc(cc1)F 913a86f0107304a21d91ed7fbc0b40b8 [0,1,0,0,1,0|0,0,0]=2 3361 B14R1.19 CC(NCCC#N)c1ccc(cc1)I 2600060042bad1e74145df4aa2d8852b [0,1,0,0,1,0|0,0,0]=2 3362 B14R1.19 CC(NCCC#N)c1ccc(cn1)Br a7935d1b3560d3159e472cb015355819 [0,1,0,0,1,0|1,0,0]=3 3363 B14R1.19 CC(NCCC#N)c1ccc(cn1)Cl 3131dd72f15e4bac36a6c8353fdce3f7 [0,1,0,0,1,0|1,0,0]=3 3364 B14R1.19 CC(NCCC#N)c1ccc(cn1)F 5b442b1976f68f675f8ad4285d4bf92f [0,1,0,0,1,0|1,0,0]=3 3365 B14R1.19 CC(NCCC#N)c1ccc(nc1)Br 6e006897a173b57acc0cbec9678f71b1 [0,1,0,0,1,0|1,0,0]=3 3366 B14R1.19 CC(NCCC#N)c1ccc(nc1)Cl a39695315ef21ef469213bd5f826ef6a [0,1,0,0,1,0|1,0,0]=3 3367 B14R1.19 CC(NCCC#N)c1ccc(nc1)F 8a891cf2e8cc9f4563c5e5468511bfd1 [0,1,0,0,1,0|1,0,0]=3 3368 B14R1.19 CC(NCCC#N)c1ncc(cn1)F 280c10f8bbfcd3d9987919c902222a86 [0,1,0,0,1,0|2,0,0]=4 3369 B14R1.19 CC(NCCC=O)c1ccc(cc1)Br 3225b4b06e798774c22a4bb2ea956502 [0,1,0,0,1,0|1,0,1]=4 3370 B14R1.19 CC(NCCC=O)c1ccc(cc1)Cl f83c1d099f68b1d3ff6b4c3730c29e7b [0,1,0,0,1,0|1,0,1]=4 3371 B14R1.19 CC(NCCC=O)c1ccc(cc1)F 91374ae72bc0f7183414cb9a23563317 [0,1,0,0,1,0|1,0,1]=4 3372 B14R1.19 CC(NCCC=O)c1ccc(cc1)I 4de7a804dcd4001272258434f2c9d917 [0,1,0,0,1,0|1,0,1]=4 3373 B14R1.19 CC(NCCCCl)c1ccc(cc1)Br 097baddb22a0f3d499b77801733e9299 [0,1,0,0,1,0|1,0,1]=4 3374 B14R1.19 CC(NCCCCl)c1ccc(cc1)Cl f0f0f696eb19e94956ccafec60ec4ba5 [0,1,0,0,1,0|1,0,1]=4 3375 B14R1.19 CC(NCCCCl)c1ccc(cc1)F 33ccf1b8c69790fe1e4c3ce172ec54c6 [0,1,0,0,1,0|1,0,1]=4 3376 B14R1.19 CC(NCCCF)c1ccc(cc1)Br abf5f76a2619687e6625c8742cff52d0 [0,1,0,0,1,0|1,0,1]=4 3377 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 76050ac1c24457953f411aa7f7ad3858 [0,1,0,0,1,0|1,0,1]=4 3378 B14R1.19 CC(NCCCF)c1ccc(cc1)F c15dac5069bdfd9a95193c3cdb71b0c6 [0,1,0,0,1,0|1,0,1]=4 3379 B14R1.19 CC(NCCCF)c1ccc(cc1)I e8f70026da9b9eb39b9196a4aa40f61b [0,1,0,0,1,0|1,0,1]=4 3380 B14R1.19 CC(NCCCO)c1ccc(cc1)Br 7d11a2e4695fa12de16a07540c6c812f [0,1,0,0,1,0|1,0,1]=4 3381 B14R1.19 CC(NCCCO)c1ccc(cc1)Cl 4e9383be1a4e5e231c96ce3481b6691d [0,1,0,0,1,0|1,0,1]=4 3382 B14R1.19 CC(NCCCO)c1ccc(cc1)F c9f49337fc0f2e1db90be68ca237e470 [0,1,0,0,1,0|1,0,1]=4 3383 B14R1.19 CC(NCCCO)c1ccc(cc1)I 4ad1982af4e17097346718d089dd792f [0,1,0,0,1,0|1,0,1]=4 3384 B14R1.19 CC(NCCCS)c1ccc(cc1)Br 072095fb43a22c853e111d06cd8f7d45 [0,1,0,0,1,0|1,0,1]=4 3385 B14R1.19 CC(NCCCS)c1ccc(cc1)Cl efa7052954313a037e89b0895876d461 [0,1,0,0,1,0|1,0,1]=4 3386 B14R1.19 CC(NCCCS)c1ccc(cc1)F 5bbcacb41a5c1991d93df7c42fea62e7 [0,1,0,0,1,0|1,0,1]=4 3387 B14R1.19 CC(NCCCS)c1ccc(cc1)I eebcf8015d76e41fff1d77ccdc014230 [0,1,0,0,1,0|1,0,1]=4 3388 B14R1.19 CC(NCCON)c1ccc(cc1)Br 0ad09986c7b2cfcf56dd22c79c617bb3 [0,1,0,0,1,0|1,0,1]=4 3389 B14R1.19 CC(NCCON)c1ccc(cc1)F 63f7b715b9e37c62ab33188e46393904 [0,1,0,0,1,0|1,0,1]=4 3390 B14R1.19 CC(OCCC#N)c1ccc(cc1)Br aa3cb17739864bde4d3de981de9104d5 [0,1,0,0,1,0|1,0,0]=3 3391 B14R1.19 CC(OCCC#N)c1ccc(cc1)Cl 54633ca5cb91c0f06a5533dd734293b6 [0,1,0,0,1,0|1,0,0]=3 3392 B14R1.19 CC(OCCC#N)c1ccc(cc1)F f2dc6805e56e3322b6e86f3c208333b5 [0,1,0,0,1,0|1,0,0]=3 3393 B14R1.19 CC(OCCC#N)c1ccc(cc1)I d7ba6d6a1296158da75d9efd850f0b36 [0,1,0,0,1,0|1,0,0]=3 3394 B14R1.19 CC(OCCC#N)c1ccc(cn1)Br 7ce536451d226dace68482e7662f0103 [0,1,0,0,1,0|2,0,0]=4 3395 B14R1.19 CC(OCCC#N)c1ccc(cn1)Cl 32329a5450e94578b1bdaeab0dee5e83 [0,1,0,0,1,0|2,0,0]=4 3396 B14R1.19 CC(OCCC#N)c1ccc(cn1)F aa6a829c451ec7e00b756ddc71ab03cd [0,1,0,0,1,0|2,0,0]=4 3397 B14R1.19 CC(OCCC#N)c1ccc(nc1)Br 7618e5c41380fb3b6ac0b525427351bd [0,1,0,0,1,0|2,0,0]=4 3398 B14R1.19 CC(OCCC#N)c1ccc(nc1)Cl aba3427a9169e7d74390def0a3326984 [0,1,0,0,1,0|2,0,0]=4 3399 B14R1.19 CC(OCCC#N)c1ccc(nc1)F 5067d09a1f57c2c03bcddec6fe8cdf1c [0,1,0,0,1,0|2,0,0]=4 3400 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 830a33af51ab7e094482ac859ce03c34 [0,1,0,0,1,0|1,0,1]=4 3401 B14R1.19 CCCCNC(C)c1ccc(cc1)C d6af0eaa51475672840f27fe659a8fe9 [0,1,0,0,1,0|1,0,1]=4 3402 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 42c2124914c8005a9f1074c39e3b91b1 [0,1,0,0,1,0|1,0,1]=4 3403 B14R1.19 CCCCNC(C)c1ccc(cc1)F 8d68cb8c4753b41668be57cfd4aa801d [0,1,0,0,1,0|1,0,1]=4 3404 B14R1.19 CCCCNC(C)c1ccc(cc1)I 944caf8f327154297c3c4ecb4e40fa9f [0,1,0,0,1,0|1,0,1]=4 3405 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)Br e557888ccf964d718bb27f4ce07c6ea9 [0,1,0,0,1,0|1,0,1]=4 3406 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)C 516fe0547f961995ba956331fe8e3239 [0,1,0,0,1,0|1,0,1]=4 3407 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)Cl bdc1f859eb8f97ee6cabe3b83ca409ba [0,1,0,0,1,0|1,0,1]=4 3408 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F d87edc9fcb4e7f3cd2bcfe5121f1d8b4 [0,1,0,0,1,0|1,0,1]=4 3409 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)I 1c897b31f15a209607e8cc1e5a6acb72 [0,1,0,0,1,0|1,0,1]=4 3410 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Br 19d495d0a269efccd307d010b3f81071 [0,1,0,0,1,0|1,0,1]=4 3411 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C d54c0c2afdc898da63dbaaa6c46702be [0,1,0,0,1,0|1,0,1]=4 3412 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 41486da988518b8f3b2edff38b1877db [0,1,0,0,1,0|1,0,1]=4 3413 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)F 1d2cf4179510fa0350ad5ef2acd569b8 [0,1,0,0,1,0|1,0,1]=4 3414 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)I dde6bc0062ac4133cfb015ec5c00ece9 [0,1,0,0,1,0|1,0,1]=4 3415 B14R1.19 CN(CCCC#N)c1ccc(cc1)Br 152374f2790567db4c22e33c749a485f [0,1,0,0,1,0|2,0,0]=4 3416 B14R1.19 CN(CCCC#N)c1ccc(cc1)Cl 5113f8fa630a8cf11ad48f66281a2a31 [0,1,0,0,1,0|2,0,0]=4 3417 B14R1.19 CN(CCCC#N)c1ccc(cc1)F d5f1ea63b4afcc264a46845713568c35 [0,1,0,0,1,0|2,0,0]=4 3418 B14R1.19 CN(CCCC#N)c1ccc(cc1)I 5dfbac55f604c96230311080c40ef03c [0,1,0,0,1,0|2,0,0]=4 3419 B14R1.19 CN(CCCC#N)c1ccc(cc1)S 47d2e137e297ddadd1e712bac18011a9 [0,1,0,0,1,0|2,0,0]=4 3420 B14R1.19 COCCNC(C)c1ccc(cc1)Br 8895105dc68361657969f9f503972eca [0,1,0,0,1,0|2,0,0]=4 3421 B14R1.19 COCCNC(C)c1ccc(cc1)C e3367f624c10e11c80bbb9d7b723173d [0,1,0,0,1,0|2,0,0]=4 3422 B14R1.19 COCCNC(C)c1ccc(cc1)Cl 13d914415caa1f67a1afa602f2dcf4a0 [0,1,0,0,1,0|2,0,0]=4 3423 B14R1.19 COCCNC(C)c1ccc(cc1)F 3e5af1fac17a8c2187fd06c24990ae8b [0,1,0,0,1,0|2,0,0]=4 3424 B14R1.19 COCCNC(C)c1ccc(cc1)I bfaed045801b3b191c72ca4499516d6f [0,1,0,0,1,0|2,0,0]=4 3425 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)Br 94596d67c0f207b492b52479a8ca4166 [0,1,0,0,1,0|2,0,0]=4 3426 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)C 137fb85356740c858e5f92bba598ad27 [0,1,0,0,1,0|2,0,0]=4 3427 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)Cl b504a614aac566629bcc7a4a31014581 [0,1,0,0,1,0|2,0,0]=4 3428 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)F d7dcb734bd71dc04aaded67d227c4b6d [0,1,0,0,1,0|2,0,0]=4 3429 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)I bfbe3118667ed6a21cc7c5c644ad341e [0,1,0,0,1,0|2,0,0]=4 3430 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Br 322b201771701915f591ceec053bbff4 [0,1,0,0,1,0|2,0,0]=4 3431 B14R1.19 COCCN[C@H](C)c1ccc(cc1)C f1e62affb0b385fd34696841aa3fdaa1 [0,1,0,0,1,0|2,0,0]=4 3432 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Cl 69126aa7b40915c596078095b15ed4c0 [0,1,0,0,1,0|2,0,0]=4 3433 B14R1.19 COCCN[C@H](C)c1ccc(cc1)F b40df7d57c97f7084ac2f82955877da5 [0,1,0,0,1,0|2,0,0]=4 3434 B14R1.19 COCCN[C@H](C)c1ccc(cc1)I 66971cfe2c65fe98d2ea8dbb04317618 [0,1,0,0,1,0|2,0,0]=4 3435 B14R1.19 CSCCNC(C)c1ccc(cc1)Br d2d4934183db5bbe3623eae5f0b8948a [0,1,0,0,1,0|2,0,0]=4 3436 B14R1.19 CSCCNC(C)c1ccc(cc1)C eab7a426a9e6948ad09a2db8fbc2da64 [0,1,0,0,1,0|2,0,0]=4 3437 B14R1.19 CSCCNC(C)c1ccc(cc1)Cl 4a969e49a77e155526d399c76fb3108b [0,1,0,0,1,0|2,0,0]=4 3438 B14R1.19 CSCCNC(C)c1ccc(cc1)F e8f568f8e5953992903529f6be65e26e [0,1,0,0,1,0|2,0,0]=4 3439 B14R1.19 CSCCNC(C)c1ccc(cc1)I 08c04ffee00bc1ab006843ca3d0e4afd [0,1,0,0,1,0|2,0,0]=4 3440 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)Br edf84bc4024a683d69c10164f963784a [0,1,0,0,1,0|2,0,0]=4 3441 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)C e4a80b92de35057b66ad9a0817e79593 [0,1,0,0,1,0|2,0,0]=4 3442 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)Cl 309b1c050bd795841296d0e1f3bf2b5e [0,1,0,0,1,0|2,0,0]=4 3443 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)F 89aebd75c24c9b872dede5da2ca1180f [0,1,0,0,1,0|2,0,0]=4 3444 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)I 0c0420c35b7404d1de0f186b686f466f [0,1,0,0,1,0|2,0,0]=4 3445 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Br 465082ed6fc0e028892a94d23d395399 [0,1,0,0,1,0|2,0,0]=4 3446 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)C 3bff8cd7716da6361016f8d3aa12b6b0 [0,1,0,0,1,0|2,0,0]=4 3447 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Cl 8c39f9e4ee479e8272d06616dfbf8c32 [0,1,0,0,1,0|2,0,0]=4 3448 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)F ce378802ed57f924c1b1071608eb3974 [0,1,0,0,1,0|2,0,0]=4 3449 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)I 546b7da1de65fb5414d71b25d3bcb1ac [0,1,0,0,1,0|2,0,0]=4 3450 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)Br ba4723dc53eb30322182e760c56b0f1f [0,1,0,0,1,0|0,0,0]=2 3451 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)Cl c75a398a2925cee471f6cdf6f15646b9 [0,1,0,0,1,0|0,0,0]=2 3452 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)F f27874c3dd944b70cbc9f05113a59d18 [0,1,0,0,1,0|0,0,0]=2 3453 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)I 47c9efc3a1f8a0ba4b06b80c676df41c [0,1,0,0,1,0|0,0,0]=2 3454 B14R1.19 C[C@@H](NCCC#N)c1ccc(cn1)Br d41ac426933c114e3c06bc47f651004e [0,1,0,0,1,0|1,0,0]=3 3455 B14R1.19 C[C@@H](NCCC#N)c1ccc(nc1)Br 5e94f447d425b6baf5df3d18083b6568 [0,1,0,0,1,0|1,0,0]=3 3456 B14R1.19 C[C@@H](NCCC#N)c1ccc(nc1)Cl 7bdd29f68f3c589d427d68a77733380f [0,1,0,0,1,0|1,0,0]=3 3457 B14R1.19 C[C@@H](NCCC#N)c1cnc(nc1)Cl 6411c96c725406167b7fe79d31fa9496 [0,1,0,0,1,0|2,0,0]=4 3458 B14R1.19 C[C@@H](NCCC#N)c1ncc(cn1)F a89997f926eb2e66bd69e581f9a925d7 [0,1,0,0,1,0|2,0,0]=4 3459 B14R1.19 C[C@@H](NCCC=O)c1ccc(cc1)Br 13fbb4af42169b2f676398423f593150 [0,1,0,0,1,0|1,0,1]=4 3460 B14R1.19 C[C@@H](NCCC=O)c1ccc(cc1)Cl a542c78b1a660f5d1e086a891f2ba4f0 [0,1,0,0,1,0|1,0,1]=4 3461 B14R1.19 C[C@@H](NCCC=O)c1ccc(cc1)F fdbca82ca8c99a268655b5cfb107b0c2 [0,1,0,0,1,0|1,0,1]=4 3462 B14R1.19 C[C@@H](NCCC=O)c1ccc(cc1)I 44b567cf45b0524e6a6979e73ecd3dc9 [0,1,0,0,1,0|1,0,1]=4 3463 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Br a52ae9c8ef051105bb2269822b876057 [0,1,0,0,1,0|1,0,1]=4 3464 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 8c1534656cfff7f0710006908c4eb1da [0,1,0,0,1,0|1,0,1]=4 3465 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)F 8aa3277f880ed887ecd2f4b075a305c6 [0,1,0,0,1,0|1,0,1]=4 3466 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)I 405a5496713ebc11ad971458899ce158 [0,1,0,0,1,0|1,0,1]=4 3467 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Br 3a447d8a23bf7a942e74c3af793fc317 [0,1,0,0,1,0|1,0,1]=4 3468 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)F 8a38091fb03fcdc9f36119305c9b45ab [0,1,0,0,1,0|1,0,1]=4 3469 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)I ce05722fc8d3fe19212d7a357947253a [0,1,0,0,1,0|1,0,1]=4 3470 B14R1.19 C[C@@H](NCCCS)c1ccc(cc1)Br 832d561bd5c3c7d51f71c331694279da [0,1,0,0,1,0|1,0,1]=4 3471 B14R1.19 C[C@@H](NCCCS)c1ccc(cc1)Cl 1b2d954fac90c376c0f48a3fbe3c0474 [0,1,0,0,1,0|1,0,1]=4 3472 B14R1.19 C[C@@H](NCCCS)c1ccc(cc1)F ada80a8f70fdf727760eecc7be96d94a [0,1,0,0,1,0|1,0,1]=4 3473 B14R1.19 C[C@@H](NCCCS)c1ccc(cc1)I 31dcd2b1dbb284e41b4230319f0fa339 [0,1,0,0,1,0|1,0,1]=4 3474 B14R1.19 C[C@@H](OCCC#N)c1ccc(cc1)Br 5a63fc3fe8ad88bc043856fbb7b74f1b [0,1,0,0,1,0|1,0,0]=3 3475 B14R1.19 C[C@@H](OCCC#N)c1ccc(cc1)Cl 52053786f203fea4168a29c4160d4948 [0,1,0,0,1,0|1,0,0]=3 3476 B14R1.19 C[C@@H](OCCC#N)c1ccc(cc1)F af93edb06f1225aeadf185f425574199 [0,1,0,0,1,0|1,0,0]=3 3477 B14R1.19 C[C@@H](OCCC#N)c1ccc(cc1)I a0deac5d5b144ed1569debdd3ebde645 [0,1,0,0,1,0|1,0,0]=3 3478 B14R1.19 C[C@@H](OCCC#N)c1ccc(cn1)Br de086b51e4967b38b2d55c7348a5af05 [0,1,0,0,1,0|2,0,0]=4 3479 B14R1.19 C[C@@H](OCCC#N)c1ccc(cn1)F e016b41b0b0402650122075740ece832 [0,1,0,0,1,0|2,0,0]=4 3480 B14R1.19 C[C@@H](OCCC#N)c1ccc(nc1)Br f27a8b5480e3004702114cb06746ce84 [0,1,0,0,1,0|2,0,0]=4 3481 B14R1.19 C[C@@H](OCCC#N)c1ccc(nc1)Cl 2ba5d23aaa5101b797d1ef8643906dd6 [0,1,0,0,1,0|2,0,0]=4 3482 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)Br 2ac07d58f20c03e54aead354ba5c3245 [0,1,0,0,1,0|0,0,0]=2 3483 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)Cl 216de63d72d6eacbd025f3d3eb1f5532 [0,1,0,0,1,0|0,0,0]=2 3484 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)F f9426a02627ef1e8dfdf2420bcb4cdc1 [0,1,0,0,1,0|0,0,0]=2 3485 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)I 13f5ed1854b26a28c578ee34f0067b31 [0,1,0,0,1,0|0,0,0]=2 3486 B14R1.19 C[C@H](NCCC#N)c1ccc(cn1)Br 7f4e3a30e17b3f2c1bd9e1042131eb73 [0,1,0,0,1,0|1,0,0]=3 3487 B14R1.19 C[C@H](NCCC#N)c1ccc(cn1)Cl dbd307221c7610f2d8dd496f9dd013d2 [0,1,0,0,1,0|1,0,0]=3 3488 B14R1.19 C[C@H](NCCC#N)c1ccc(cn1)F 37820ab83902fac969c32857ae901201 [0,1,0,0,1,0|1,0,0]=3 3489 B14R1.19 C[C@H](NCCC#N)c1ccc(nc1)Br def457550c6f896cf8bb99e68693329b [0,1,0,0,1,0|1,0,0]=3 3490 B14R1.19 C[C@H](NCCC#N)c1ccc(nc1)Cl cded284836c982717bbc98618604643c [0,1,0,0,1,0|1,0,0]=3 3491 B14R1.19 C[C@H](NCCC#N)c1ncc(cn1)F a86f193ed7a28049bd19f2825e272b6f [0,1,0,0,1,0|2,0,0]=4 3492 B14R1.19 C[C@H](NCCC=O)c1ccc(cc1)Br d0ea4710cc47e2ecd9949a662cc797f0 [0,1,0,0,1,0|1,0,1]=4 3493 B14R1.19 C[C@H](NCCC=O)c1ccc(cc1)Cl 3f3b17afef3390528f275140dc2544ca [0,1,0,0,1,0|1,0,1]=4 3494 B14R1.19 C[C@H](NCCC=O)c1ccc(cc1)F fa73aaca3ba140467bfc72767c1621de [0,1,0,0,1,0|1,0,1]=4 3495 B14R1.19 C[C@H](NCCC=O)c1ccc(cc1)I 2cd13f789fe105e9dd16ec996e707c04 [0,1,0,0,1,0|1,0,1]=4 3496 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)Br d3e583d5e6d6c5e2324c7f3c9b6332e7 [0,1,0,0,1,0|1,0,1]=4 3497 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)Cl 177d2e912602dbb09dac0e98e9c8d08b [0,1,0,0,1,0|1,0,1]=4 3498 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 1baf5a00d39719feb3d24f85dfca1761 [0,1,0,0,1,0|1,0,1]=4 3499 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)I ae27a617d6d2f3615dcc35496e15cb79 [0,1,0,0,1,0|1,0,1]=4 3500 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)Br 32e1070026c8e28195d1fe330999a277 [0,1,0,0,1,0|1,0,1]=4 3501 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 124f96ea5e11240c2d3986649175b367 [0,1,0,0,1,0|1,0,1]=4 3502 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)I 2c425f79bb24b9db1aa13c8abca5d129 [0,1,0,0,1,0|1,0,1]=4 3503 B14R1.19 C[C@H](NCCCS)c1ccc(cc1)Br 774fcbfbff12fd1f8b5dedf66e832e6f [0,1,0,0,1,0|1,0,1]=4 3504 B14R1.19 C[C@H](NCCCS)c1ccc(cc1)Cl f7c6115b24bdb55e308f0fad3e8b2423 [0,1,0,0,1,0|1,0,1]=4 3505 B14R1.19 C[C@H](NCCCS)c1ccc(cc1)F 92243006d6cc4354d5916befe2033342 [0,1,0,0,1,0|1,0,1]=4 3506 B14R1.19 C[C@H](NCCCS)c1ccc(cc1)I 094b4cdecffa24342e92e350dfbbccce [0,1,0,0,1,0|1,0,1]=4 3507 B14R1.19 C[C@H](OCCC#N)c1ccc(cc1)Br 9bdf7b1a4c73e8c6148b21be9e41c840 [0,1,0,0,1,0|1,0,0]=3 3508 B14R1.19 C[C@H](OCCC#N)c1ccc(cc1)Cl d1ff61286782d22403dfc2d7a0467148 [0,1,0,0,1,0|1,0,0]=3 3509 B14R1.19 C[C@H](OCCC#N)c1ccc(cc1)F c0c71232fbdc9b4637688341843bb740 [0,1,0,0,1,0|1,0,0]=3 3510 B14R1.19 C[C@H](OCCC#N)c1ccc(cc1)I bf9f4d093e4685aca0255cc214f293ec [0,1,0,0,1,0|1,0,0]=3 3511 B14R1.19 C[C@H](OCCC#N)c1ccc(cn1)Br 1b17582ad752a6706af1aa11e9861344 [0,1,0,0,1,0|2,0,0]=4 3512 B14R1.19 C[C@H](OCCC#N)c1ccc(nc1)Br 5c152b4e46fe30c5f813c236e7ff56c2 [0,1,0,0,1,0|2,0,0]=4 3513 B14R1.19 C[C@H](OCCC#N)c1ccc(nc1)Cl 8668f4d2da596d1fc7a50526a0b812fa [0,1,0,0,1,0|2,0,0]=4 3514 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 9b4f61d5807c9849139b1f8486e55bde [0,1,0,0,1,0|1,0,1]=4 3515 B14R1.19 Cc1ccc(cc1)C(C)COCC#N 33e1395c10cd365dd03ecc0930f74274 [0,1,0,0,1,0|2,0,0]=4 3516 B14R1.19 Cc1ccc(cc1)C(C)NCCC#N 1a1a3b86138b5b954c5bb76d7e9376fd [0,1,0,0,1,0|0,0,0]=2 3517 B14R1.19 Cc1ccc(cc1)C(C)NCCC=O 305c5cf77a1f73c3f9ccdd715e1fb711 [0,1,0,0,1,0|1,0,1]=4 3518 B14R1.19 Cc1ccc(cc1)C(C)NCCCCl eb7a7d37b3c50d7dcf68907b28ce48e7 [0,1,0,0,1,0|1,0,1]=4 3519 B14R1.19 Cc1ccc(cc1)C(C)NCCCF df53e419b7c5fbd47f9e84db8fec5874 [0,1,0,0,1,0|1,0,1]=4 3520 B14R1.19 Cc1ccc(cc1)C(C)NCCCO fd8d6759c2cc8aec79af2344810e17c9 [0,1,0,0,1,0|1,0,1]=4 3521 B14R1.19 Cc1ccc(cc1)C(C)NCCCS b7db350a6991c7d96eb1069a3670c5f8 [0,1,0,0,1,0|1,0,1]=4 3522 B14R1.19 Cc1ccc(cc1)C(C)OCCC#N 285aee45754edbba972a0435f15e0d61 [0,1,0,0,1,0|1,0,0]=3 3523 B14R1.19 Cc1ccc(cc1)N(C)CCCC#N d8fa69293e8150ab617766477095e124 [0,1,0,0,1,0|2,0,0]=4 3524 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCC#N 2058be1acb569dc902bd536d5573a7c0 [0,1,0,0,1,0|0,0,0]=2 3525 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCC=O 7111025b03112e0c11514bc2dc6ec6d8 [0,1,0,0,1,0|1,0,1]=4 3526 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 1c98ba3c5d874b23a12a719ee20664da [0,1,0,0,1,0|1,0,1]=4 3527 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 212efef204c32a952f90e6960d1679f1 [0,1,0,0,1,0|1,0,1]=4 3528 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCS 47bf149f291944d08f1d0f9bba569e04 [0,1,0,0,1,0|1,0,1]=4 3529 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCC#N 3e357b28253bb825b88ead1c4401b42a [0,1,0,0,1,0|1,0,0]=3 3530 B14R1.19 Cc1ccc(cc1)[C@H](C)NCCC#N ee8c06a27f2e7101ff82b7bc649b11c8 [0,1,0,0,1,0|0,0,0]=2 3531 B14R1.19 Cc1ccc(cc1)[C@H](C)NCCC=O 58eca8b5966012ef28fc61a2bb75b9c9 [0,1,0,0,1,0|1,0,1]=4 3532 B14R1.19 Cc1ccc(cc1)[C@H](C)NCCCF 2b7f767d2300213cc4e1d95ea16932bf [0,1,0,0,1,0|1,0,1]=4 3533 B14R1.19 Cc1ccc(cc1)[C@H](C)NCCCO 8ad22e45a9d61d9408f6738cc7ae00af [0,1,0,0,1,0|1,0,1]=4 3534 B14R1.19 Cc1ccc(cc1)[C@H](C)NCCCS 85c0751c8f3cee61d936cc36d6871eb4 [0,1,0,0,1,0|1,0,1]=4 3535 B14R1.19 Cc1ccc(cc1)[C@H](C)OCCC#N 333c7d3e94e18345441863cae8c9e64f [0,1,0,0,1,0|1,0,0]=3 3536 B14R1.19 Cc1ccc(cn1)C(C)NCCC#N 4b8f86b017441c2f1b1b89182604bc52 [0,1,0,0,1,0|1,0,0]=3 3537 B14R1.19 Cc1ccc(cn1)C(C)OCCC#N eec4f0ea16abe0578a2c3016310efd43 [0,1,0,0,1,0|2,0,0]=4 3538 B14R1.19 Cc1ccc(cn1)[C@@H](C)NCCC#N bb5614b0bb2d4cf83e49248b1b9b3064 [0,1,0,0,1,0|1,0,0]=3 3539 B14R1.19 Cc1ccc(cn1)[C@H](C)NCCC#N 98ba6d7771f6c58bab6ddba640409c00 [0,1,0,0,1,0|1,0,0]=3 3540 B14R1.19 Cc1ccc(nc1)C(C)NCCC#N 22773593a733a7dce911cc4836fb9fdf [0,1,0,0,1,0|1,0,0]=3 3541 B14R1.19 Cc1ccc(nc1)C(C)OCCC#N 80f98d0d9a4823e89f4ef9fcf2bae9cd [0,1,0,0,1,0|2,0,0]=4 3542 B14R1.19 Cc1ccc(nc1)[C@@H](C)NCCC#N 197172844e7c259480b68978fcbac7a8 [0,1,0,0,1,0|1,0,0]=3 3543 B14R1.19 Cc1cnc(nc1)C(C)NCCC#N a659b2a1f4f9270742c03252f1f1e1bd [0,1,0,0,1,0|2,0,0]=4 3544 B14R1.19 Cc1cnc(nc1)[C@H](C)NCCC#N daf86572636e90880fa1f04954baf6af [0,1,0,0,1,0|2,0,0]=4 3545 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br a984777003f1c7a21566ce4a28389dc6 [0,1,0,0,1,0|1,0,1]=4 3546 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 147fcc64e7e88580554f5fff3de01441 [0,1,0,0,1,0|1,0,1]=4 3547 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F afc1a5038db0d6423dc54137ff4c8ce9 [0,1,0,0,1,0|1,0,1]=4 3548 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 61a0771e0109f68b357a918d7bf232cc [0,1,0,0,1,0|1,0,1]=4 3549 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O 4bfe959ac3d5bfc089106c6bdd80aebc [0,1,0,0,1,0|1,0,1]=4 3550 B14R1.19 N#CCCNC(=O)c1ccc(cc1)S 8f4ea6bda14a7dbcb9d2601cda8af577 [0,1,0,0,1,0|1,0,1]=4 3551 B14R1.20 C#CCCNC(C)c1cc(ccn1)C 2b4efb11a2e0664d2ba1fef2bdd4c67e [0,1,0,0,1,0|2,0,0]=4 3552 B14R1.20 C#CCCNC(C)c1cc(ccn1)Cl 2ee3f88b3eba26ecd7b7a5a9ec25e628 [0,1,0,0,1,0|2,0,0]=4 3553 B14R1.20 C#CCCNC(C)c1cccc(c1)Br 9cc1d4a1e19318147a3b273c80a850b8 [0,1,0,0,1,0|1,0,0]=3 3554 B14R1.20 C#CCCNC(C)c1cccc(c1)C 0738d0a98ae4a15cac29fa37c7f76135 [0,1,0,0,1,0|1,0,0]=3 3555 B14R1.20 C#CCCNC(C)c1cccc(c1)Cl da5e1fca8612e09ccb21f2006f5eb668 [0,1,0,0,1,0|1,0,0]=3 3556 B14R1.20 C#CCCNC(C)c1cccc(c1)F 2c2966843daca6650548842305ed780c [0,1,0,0,1,0|1,0,0]=3 3557 B14R1.20 C#CCCNC(C)c1cccc(n1)Br 21bb66adcc38d1c825a0c3cd1d9f2696 [0,1,0,0,1,0|2,0,0]=4 3558 B14R1.20 C#CCCNC(C)c1cccc(n1)C f38da34e76e22047d986116ea14a272b [0,1,0,0,1,0|2,0,0]=4 3559 B14R1.20 C#CCCNC(C)c1cccc(n1)Cl 048e3683e8e13cf5873a952343dcf971 [0,1,0,0,1,0|2,0,0]=4 3560 B14R1.20 C#CCCNC(C)c1cccc(n1)F cc97a2dcec35f5247c386f58bb0ab775 [0,1,0,0,1,0|2,0,0]=4 3561 B14R1.20 C#CCCNC(C)c1ccnc(c1)C 966007333a2fd570ca8939e8b2b82b9f [0,1,0,0,1,0|2,0,0]=4 3562 B14R1.20 C#CCCNC(C)c1cncc(c1)Br 1677f39aea3d6b208dd0ab5f8ebba3e0 [0,1,0,0,1,0|2,0,0]=4 3563 B14R1.20 C#CCCNC(C)c1cncc(c1)F ffa18b01dc3be21cde2dff7318280001 [0,1,0,0,1,0|2,0,0]=4 3564 B14R1.20 C#CCCN[C@@H](C)c1cccc(c1)Br e2c1e184848f1a4b7937b4a182093768 [0,1,0,0,1,0|1,0,0]=3 3565 B14R1.20 C#CCCN[C@@H](C)c1cccc(c1)C 1e8df7340f725211521b3357ab619701 [0,1,0,0,1,0|1,0,0]=3 3566 B14R1.20 C#CCCN[C@@H](C)c1cccc(c1)Cl 4b342652f2c002b3a2c2d4b3363080c2 [0,1,0,0,1,0|1,0,0]=3 3567 B14R1.20 C#CCCN[C@@H](C)c1cccc(c1)F 76aaaff95bfa8621b5ff01092d3e1259 [0,1,0,0,1,0|1,0,0]=3 3568 B14R1.20 C#CCCN[C@@H](C)c1cccc(c1)I e1276c533a2397e0df6a79c3ed53bf50 [0,1,0,0,1,0|1,0,0]=3 3569 B14R1.20 C#CCCN[C@@H](C)c1cccc(n1)Br 1aaed6405d096925f704e3adbe957c93 [0,1,0,0,1,0|2,0,0]=4 3570 B14R1.20 C#CCCN[C@@H](C)c1cccc(n1)C 281e304b47f2c75de37a3535f210dacb [0,1,0,0,1,0|2,0,0]=4 3571 B14R1.20 C#CCCN[C@@H](C)c1ccnc(c1)C ffe2922cdf713bd7bb84695f3acea015 [0,1,0,0,1,0|2,0,0]=4 3572 B14R1.20 C#CCCN[C@@H](C)c1ccnc(c1)Cl 3caeee09652304c5ba8691695d42d715 [0,1,0,0,1,0|2,0,0]=4 3573 B14R1.20 C#CCCN[C@@H](C)c1cncc(c1)Br 18412266e92a26912e2509e590ac458e [0,1,0,0,1,0|2,0,0]=4 3574 B14R1.20 C#CCCN[C@@H](C)c1cncc(c1)Cl 39785f47d2e17d13bd87db8cbfff0885 [0,1,0,0,1,0|2,0,0]=4 3575 B14R1.20 C#CCCN[C@@H](C)c1cncc(c1)F 513a5fd50b1a21431a4f540dcfad17b8 [0,1,0,0,1,0|2,0,0]=4 3576 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)Br 381bca33b68ab01a146f1f7fab9b771c [0,1,0,0,1,0|1,0,0]=3 3577 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)C bcf36a2a7c774e96e783e74e490acd8d [0,1,0,0,1,0|1,0,0]=3 3578 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)Cl 5ff2bfb0d9b96ac8ff8a4fcccda48a3f [0,1,0,0,1,0|1,0,0]=3 3579 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)F 1d09a90a40dc346cc26e5b9daf77853e [0,1,0,0,1,0|1,0,0]=3 3580 B14R1.20 C#CCCN[C@H](C)c1cccc(n1)Br 45e0d13a1e315a719da750fe03aa28ab [0,1,0,0,1,0|2,0,0]=4 3581 B14R1.20 C#CCCN[C@H](C)c1ccnc(c1)Br 3e93145f8ec53e760fbeb6acdc1a53bc [0,1,0,0,1,0|2,0,0]=4 3582 B14R1.20 C#CCCN[C@H](C)c1ccnc(c1)C d1bf953dea63fafab15a323b5a15e21a [0,1,0,0,1,0|2,0,0]=4 3583 B14R1.20 C#CCCN[C@H](C)c1ccnc(c1)Cl 3f74dcd9aae5a10529881b7db2b32e29 [0,1,0,0,1,0|2,0,0]=4 3584 B14R1.20 C#CCCN[C@H](C)c1cncc(c1)Br 5332aef350e5077125b4709cc010a340 [0,1,0,0,1,0|2,0,0]=4 3585 B14R1.20 C#CCCN[C@H](C)c1cncc(c1)Cl f26d4837bc64aa7226e306dd13b8640a [0,1,0,0,1,0|2,0,0]=4 3586 B14R1.20 C#CCCOC(C)c1cccc(c1)Br 0180957bdcc76e41cefe95cc2898dbce [0,1,0,0,1,0|2,0,0]=4 3587 B14R1.20 C#CCCOC(C)c1cccc(c1)C b8a18943cdb8d2b1af834b31c7074ae5 [0,1,0,0,1,0|2,0,0]=4 3588 B14R1.20 C#CCCOC(C)c1cccc(c1)Cl e6e12aee92b7742e5d779bc956e2e75b [0,1,0,0,1,0|2,0,0]=4 3589 B14R1.20 C#CCCOC(C)c1cccc(c1)F 7b62d9004a70be669eb30208d0ef7e64 [0,1,0,0,1,0|2,0,0]=4 3590 B14R1.20 C#CCCOC(C)c1cccc(c1)I e97a6f8f1f34188fcdf71a832db38c8b [0,1,0,0,1,0|2,0,0]=4 3591 B14R1.20 C#CCCO[C@@H](C)c1cccc(c1)Br 6b531daa14ac8183a12d13ba5a2816a0 [0,1,0,0,1,0|2,0,0]=4 3592 B14R1.20 C#CCCO[C@@H](C)c1cccc(c1)C 8ccb81a6c00db05299cdecbc4071a420 [0,1,0,0,1,0|2,0,0]=4 3593 B14R1.20 C#CCCO[C@@H](C)c1cccc(c1)Cl 328fb20fe144534011785aff4ca27fc7 [0,1,0,0,1,0|2,0,0]=4 3594 B14R1.20 C#CCCO[C@@H](C)c1cccc(c1)F ba24aff4f2fb8fbdb9b495a41bc418cc [0,1,0,0,1,0|2,0,0]=4 3595 B14R1.20 C#CCCO[C@H](C)c1cccc(c1)Br 77027613f2d12c978fb153449d90eaa4 [0,1,0,0,1,0|2,0,0]=4 3596 B14R1.20 C#CCCO[C@H](C)c1cccc(c1)C 08c1b052c0e012b513d5485ce0f5da55 [0,1,0,0,1,0|2,0,0]=4 3597 B14R1.20 C#CCCO[C@H](C)c1cccc(c1)Cl baa39da6c8d0aef8c9360c982eef09b3 [0,1,0,0,1,0|2,0,0]=4 3598 B14R1.20 C#CCCO[C@H](C)c1cccc(c1)F 89a7475521a4765ca365def7a39e87d6 [0,1,0,0,1,0|2,0,0]=4 3599 B14R1.20 C=CCCNC(C)c1cccc(c1)Br 92bc5fade26463b4c3a20891d44f74a1 [0,1,0,0,1,0|1,0,1]=4 3600 B14R1.20 C=CCCNC(C)c1cccc(c1)C 89c94fd49a6c47d742226eed3b9fd2c5 [0,1,0,0,1,0|1,0,1]=4 3601 B14R1.20 C=CCCNC(C)c1cccc(c1)Cl d0eb4545323656652823ac259c85a940 [0,1,0,0,1,0|1,0,1]=4 3602 B14R1.20 C=CCCNC(C)c1cccc(c1)F 8ca2edfda0ac65c4d9aa3fa2962d5df0 [0,1,0,0,1,0|1,0,1]=4 3603 B14R1.20 C=CCCN[C@@H](C)c1cccc(c1)Br d89c5b35be73b037d7fe3ff69ff8e8fb [0,1,0,0,1,0|1,0,1]=4 3604 B14R1.20 C=CCCN[C@@H](C)c1cccc(c1)C 7fff540e9df7e1424fd6819a482ff8c6 [0,1,0,0,1,0|1,0,1]=4 3605 B14R1.20 C=CCCN[C@@H](C)c1cccc(c1)Cl 87aa820521754ff92d55a0291c124a41 [0,1,0,0,1,0|1,0,1]=4 3606 B14R1.20 C=CCCN[C@@H](C)c1cccc(c1)F d5cf98c6225289b2621163e8a786b3bd [0,1,0,0,1,0|1,0,1]=4 3607 B14R1.20 C=CCCN[C@@H](C)c1cccc(c1)I ab26364a5906bfdf3afade5355cda189 [0,1,0,0,1,0|1,0,1]=4 3608 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)Br f10edc5eeffdaec540fd327f7edcd3e4 [0,1,0,0,1,0|1,0,1]=4 3609 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)C 3048b01759b7a08d3ddf39aa241c8d3c [0,1,0,0,1,0|1,0,1]=4 3610 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)Cl 1e029970418a00e0c5a2d2c2acd3139b [0,1,0,0,1,0|1,0,1]=4 3611 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)F 9c2a4036b662ecec92e015a76a1e2080 [0,1,0,0,1,0|1,0,1]=4 3612 B14R1.20 CC(CNCC#N)c1cccc(c1)Br 43c5d7d7c33c6f3f0529326d48434400 [0,1,0,0,1,0|2,0,0]=4 3613 B14R1.20 CC(NCCC#N)c1cc(ccn1)Cl b829b74dfd1ffe2eea65a008e451418d [0,1,0,0,1,0|1,0,0]=3 3614 B14R1.20 CC(NCCC#N)c1cccc(c1)Br 0be93648a41a298b066bcc23416db719 [0,1,0,0,1,0|0,0,0]=2 3615 B14R1.20 CC(NCCC#N)c1cccc(c1)Cl 8dc47aadb6a9abacafe7dc169d2d4fcb [0,1,0,0,1,0|0,0,0]=2 3616 B14R1.20 CC(NCCC#N)c1cccc(c1)F 3bc9a88d70c775a5dfd159c3e4f9845e [0,1,0,0,1,0|0,0,0]=2 3617 B14R1.20 CC(NCCC#N)c1cccc(n1)Br 87930fbc3b32187df78229db4d9b85a8 [0,1,0,0,1,0|1,0,0]=3 3618 B14R1.20 CC(NCCC#N)c1cccc(n1)Cl b61410ba2ecb4dde0d785a25728ed428 [0,1,0,0,1,0|1,0,0]=3 3619 B14R1.20 CC(NCCC#N)c1cccc(n1)F 0b7ff8220171f9fc0b8088c5fe6e2287 [0,1,0,0,1,0|1,0,0]=3 3620 B14R1.20 CC(NCCC#N)c1cncc(c1)Br 2b3512eb8c99d03cd3ab7e60e97e8778 [0,1,0,0,1,0|1,0,0]=3 3621 B14R1.20 CC(NCCC#N)c1cncc(c1)F 570ac92bca12cd080140e5ca9d6b3af7 [0,1,0,0,1,0|1,0,0]=3 3622 B14R1.20 CC(NCCC=O)c1cccc(c1)Br 9f899e8bc335dbc8f24aa4f7f766635c [0,1,0,0,1,0|1,0,1]=4 3623 B14R1.20 CC(NCCC=O)c1cccc(c1)Cl 9d9d11efc28ee7bfe2d773c125445ae1 [0,1,0,0,1,0|1,0,1]=4 3624 B14R1.20 CC(NCCC=O)c1cccc(c1)F 526f1d90970e6c509fdda3396add0895 [0,1,0,0,1,0|1,0,1]=4 3625 B14R1.20 CC(NCCCCl)c1cccc(c1)Br 367f07a07706ce5481fec4cfd28b88ee [0,1,0,0,1,0|1,0,1]=4 3626 B14R1.20 CC(NCCCCl)c1cccc(c1)Cl 1b626414a77d050004c0f32c3d292416 [0,1,0,0,1,0|1,0,1]=4 3627 B14R1.20 CC(NCCCCl)c1cccc(c1)F e4039a982d982666d9c60191ae7ee065 [0,1,0,0,1,0|1,0,1]=4 3628 B14R1.20 CC(NCCCF)c1cccc(c1)Br 6a394249a8b3f94905bb0a296a1b03f3 [0,1,0,0,1,0|1,0,1]=4 3629 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 7374e459ee8b7c8f170c99b33d7ee53e [0,1,0,0,1,0|1,0,1]=4 3630 B14R1.20 CC(NCCCF)c1cccc(c1)F e03986772f61aabae27496bf00669ffc [0,1,0,0,1,0|1,0,1]=4 3631 B14R1.20 CC(NCCCO)c1cccc(c1)Br 03f730c1db7473b4e811dd3016b95f79 [0,1,0,0,1,0|1,0,1]=4 3632 B14R1.20 CC(NCCCO)c1cccc(c1)Cl ef0a467cf12b9ea7725c35e1caa5ff59 [0,1,0,0,1,0|1,0,1]=4 3633 B14R1.20 CC(NCCCO)c1cccc(c1)F 026ad99a7ca164cce94df9b239f2adba [0,1,0,0,1,0|1,0,1]=4 3634 B14R1.20 CC(NCCCS)c1cccc(c1)Br a0c7e605fc9c848c72e515a54118cb40 [0,1,0,0,1,0|1,0,1]=4 3635 B14R1.20 CC(NCCCS)c1cccc(c1)Cl 3a51b3a8865f40e54784d1623e2ac2ec [0,1,0,0,1,0|1,0,1]=4 3636 B14R1.20 CC(NCCCS)c1cccc(c1)F 6465928230253f56de1b91ed17929fa2 [0,1,0,0,1,0|1,0,1]=4 3637 B14R1.20 CC(NCCON)c1cccc(c1)Cl a2e6031cb65f3c04360382e7d4f1d0c1 [0,1,0,0,1,0|1,0,1]=4 3638 B14R1.20 CC(NCCON)c1cccc(c1)F 6e41b1e785b2cbc6372d6aede2f64cce [0,1,0,0,1,0|1,0,1]=4 3639 B14R1.20 CC(NCSC#N)c1cc(ccn1)Cl b46df6639eb9c3099b9f8a0bb3c5c79f [0,1,0,0,1,0|2,0,0]=4 3640 B14R1.20 CC(OCCC#N)c1cc(ccn1)Br 8d48457538147dc1378a4684d480d1d4 [0,1,0,0,1,0|2,0,0]=4 3641 B14R1.20 CC(OCCC#N)c1cc(ccn1)Cl 4759f577e408a3241dbab7337dd1d01c [0,1,0,0,1,0|2,0,0]=4 3642 B14R1.20 CC(OCCC#N)c1cccc(c1)Br e33ae332f6e6f42d60c0c2da2ef608ac [0,1,0,0,1,0|1,0,0]=3 3643 B14R1.20 CC(OCCC#N)c1cccc(c1)Cl defd94768e3bbf5398d31d40923fa07f [0,1,0,0,1,0|1,0,0]=3 3644 B14R1.20 CC(OCCC#N)c1cccc(c1)F aff93e657cf0e735788a52435151eb10 [0,1,0,0,1,0|1,0,0]=3 3645 B14R1.20 CC(OCCC#N)c1cccc(c1)I 2a57d867c8335efb97af2d17542e1207 [0,1,0,0,1,0|1,0,0]=3 3646 B14R1.20 CC(OCCC#N)c1cccc(n1)Br 09b95ef688ccab5751b2b52c752d7f46 [0,1,0,0,1,0|2,0,0]=4 3647 B14R1.20 CC(OCCC#N)c1cccc(n1)F 1b3605fe5b7e2804ccd08ebc7ff3aa2b [0,1,0,0,1,0|2,0,0]=4 3648 B14R1.20 CC(OCCC#N)c1ccnc(c1)Br 757f2f7fc38006ad912dd465cef7f982 [0,1,0,0,1,0|2,0,0]=4 3649 B14R1.20 CC(OCCC#N)c1ccnc(c1)Cl 927b899f12231d1caf85bfe8d7baa04c [0,1,0,0,1,0|2,0,0]=4 3650 B14R1.20 CC(OCCC#N)c1cncc(c1)Br d550325a0adbbe2361ea856a6485a92f [0,1,0,0,1,0|2,0,0]=4 3651 B14R1.20 CC(OCCC#N)c1cncc(c1)Cl 7fa1ce431de80de339430d43cf7e4ecf [0,1,0,0,1,0|2,0,0]=4 3652 B14R1.20 CC(OCCC#N)c1cncc(c1)F 16229ee0f3e38288e277b58eb0c7ea7e [0,1,0,0,1,0|2,0,0]=4 3653 B14R1.20 CC(OCSC#N)c1cccc(c1)F b90e9391fb6b21d30a5c873b7c5a93b5 [0,1,0,0,1,0|2,0,0]=4 3654 B14R1.20 CCCCNC(C)c1cccc(c1)Br e7a5b8cc5059c6f8c3707bc24cd6c016 [0,1,0,0,1,0|1,0,1]=4 3655 B14R1.20 CCCCNC(C)c1cccc(c1)C 33624f426cd4a23ecd035b991495d546 [0,1,0,0,1,0|1,0,1]=4 3656 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 382ebbdee841b41652de280929ba3ebc [0,1,0,0,1,0|1,0,1]=4 3657 B14R1.20 CCCCNC(C)c1cccc(c1)F 028ee9a9d402563504ec44aa81830f41 [0,1,0,0,1,0|1,0,1]=4 3658 B14R1.20 CCCCN[C@@H](C)c1cccc(c1)Br 812787b0771163741979be00cbced5a7 [0,1,0,0,1,0|1,0,1]=4 3659 B14R1.20 CCCCN[C@@H](C)c1cccc(c1)C 594fbac7ff24f33982daa74e99322058 [0,1,0,0,1,0|1,0,1]=4 3660 B14R1.20 CCCCN[C@@H](C)c1cccc(c1)Cl 10d775cd5a589a6c20ecd3914be2ad42 [0,1,0,0,1,0|1,0,1]=4 3661 B14R1.20 CCCCN[C@@H](C)c1cccc(c1)F a205357e83bd101bfc1a9b59f9a56cae [0,1,0,0,1,0|1,0,1]=4 3662 B14R1.20 CCCCN[C@@H](C)c1cccc(c1)I 2c20927010bd249dfc50a655c3daebda [0,1,0,0,1,0|1,0,1]=4 3663 B14R1.20 CCCCN[C@H](C)c1cccc(c1)Br 31ad90638706ff67f38947246941b28d [0,1,0,0,1,0|1,0,1]=4 3664 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 366961e4c44a90561bf06be28782867a [0,1,0,0,1,0|1,0,1]=4 3665 B14R1.20 CCCCN[C@H](C)c1cccc(c1)Cl 5dee7a83853abaf47aa182232991be98 [0,1,0,0,1,0|1,0,1]=4 3666 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F ab24d7f1eb7c5a03e596ddc5399e3d0a [0,1,0,0,1,0|1,0,1]=4 3667 B14R1.20 CN(CCCC#N)c1cccc(c1)Br d41580a433ab16751c268bd2ff77aa2f [0,1,0,0,1,0|2,0,0]=4 3668 B14R1.20 CN(CCCC#N)c1cccc(c1)Cl 18c9b60c4ac0ac91e19779611d429dcd [0,1,0,0,1,0|2,0,0]=4 3669 B14R1.20 CN(CCCC#N)c1cccc(c1)F 75bbcc25b30e921d0ec1bccb1d20a1b8 [0,1,0,0,1,0|2,0,0]=4 3670 B14R1.20 CN(CCCC#N)c1cccc(c1)I 9aefbf1c651f65a87286ab141b0b43af [0,1,0,0,1,0|2,0,0]=4 3671 B14R1.20 COCCNC(C)c1cccc(c1)Br 038f65948b3d7d3e2bd74e0e1128c4ec [0,1,0,0,1,0|2,0,0]=4 3672 B14R1.20 COCCNC(C)c1cccc(c1)C e35c76146acefd94bf76bb038bdece90 [0,1,0,0,1,0|2,0,0]=4 3673 B14R1.20 COCCNC(C)c1cccc(c1)Cl 45593bfeb963ce54386a1bad9cd18b19 [0,1,0,0,1,0|2,0,0]=4 3674 B14R1.20 COCCNC(C)c1cccc(c1)F 4921b26c51a08452fc54d7e048a1d140 [0,1,0,0,1,0|2,0,0]=4 3675 B14R1.20 COCCN[C@@H](C)c1cccc(c1)Br 7b0dab2053e48a2229249ceadeffe996 [0,1,0,0,1,0|2,0,0]=4 3676 B14R1.20 COCCN[C@@H](C)c1cccc(c1)C ab5908e972ae220e588ce4d652d4e33a [0,1,0,0,1,0|2,0,0]=4 3677 B14R1.20 COCCN[C@@H](C)c1cccc(c1)Cl ae92f4cdc050d6de9c4d217293f3c846 [0,1,0,0,1,0|2,0,0]=4 3678 B14R1.20 COCCN[C@@H](C)c1cccc(c1)F 3cae698df2cc8479ff590da15bf88c6e [0,1,0,0,1,0|2,0,0]=4 3679 B14R1.20 COCCN[C@@H](C)c1cccc(c1)I 982cdc50279d9c239c11dfe98f01c03c [0,1,0,0,1,0|2,0,0]=4 3680 B14R1.20 COCCN[C@H](C)c1cccc(c1)Br 71acbed1b29a2d3f3f0a0f4a95849c9c [0,1,0,0,1,0|2,0,0]=4 3681 B14R1.20 COCCN[C@H](C)c1cccc(c1)C f2b13bea82aa3607c9e4cde19cce0772 [0,1,0,0,1,0|2,0,0]=4 3682 B14R1.20 COCCN[C@H](C)c1cccc(c1)Cl 4af782f762c010216803c1841933d8a7 [0,1,0,0,1,0|2,0,0]=4 3683 B14R1.20 COCCN[C@H](C)c1cccc(c1)F 4e738cb12710c893373d516a38a0a391 [0,1,0,0,1,0|2,0,0]=4 3684 B14R1.20 CSCCNC(C)c1cccc(c1)Br a55cac897351843838027fb53fefdb2b [0,1,0,0,1,0|2,0,0]=4 3685 B14R1.20 CSCCNC(C)c1cccc(c1)C e2874f20c27f377ebcf689fd3e90950f [0,1,0,0,1,0|2,0,0]=4 3686 B14R1.20 CSCCNC(C)c1cccc(c1)Cl 19852ef6034b566e26d244647fb18b33 [0,1,0,0,1,0|2,0,0]=4 3687 B14R1.20 CSCCNC(C)c1cccc(c1)F 0250bb9ebb5fec1e29497ec9171c0060 [0,1,0,0,1,0|2,0,0]=4 3688 B14R1.20 CSCCN[C@@H](C)c1cccc(c1)Br 6e2bfa25c43ee24ee4f74735e5f649cf [0,1,0,0,1,0|2,0,0]=4 3689 B14R1.20 CSCCN[C@@H](C)c1cccc(c1)C f090be14c9f15ce2995ed45d641e50a9 [0,1,0,0,1,0|2,0,0]=4 3690 B14R1.20 CSCCN[C@@H](C)c1cccc(c1)Cl 058e7dd6151b5055295d5e538f643716 [0,1,0,0,1,0|2,0,0]=4 3691 B14R1.20 CSCCN[C@@H](C)c1cccc(c1)F b154ba36006899609b20dccf5b007fe4 [0,1,0,0,1,0|2,0,0]=4 3692 B14R1.20 CSCCN[C@@H](C)c1cccc(c1)I 7023fc22a1512c2663e3f1ff91ade2b9 [0,1,0,0,1,0|2,0,0]=4 3693 B14R1.20 CSCCN[C@H](C)c1cccc(c1)Br 547300c8b48bac88eecbc7ab3ddb8e79 [0,1,0,0,1,0|2,0,0]=4 3694 B14R1.20 CSCCN[C@H](C)c1cccc(c1)C e1dbb76e4e630ebc7bc1378a7b8f8813 [0,1,0,0,1,0|2,0,0]=4 3695 B14R1.20 CSCCN[C@H](C)c1cccc(c1)Cl e20025c2b39a9d072eb92b9673d887a6 [0,1,0,0,1,0|2,0,0]=4 3696 B14R1.20 CSCCN[C@H](C)c1cccc(c1)F 4f7b119679cfb9b2516cbd80b5ffe980 [0,1,0,0,1,0|2,0,0]=4 3697 B14R1.20 C[C@@H](NCCC#N)c1cccc(c1)Br 6e0587be8fd61f30d40421b3712291f4 [0,1,0,0,1,0|0,0,0]=2 3698 B14R1.20 C[C@@H](NCCC#N)c1cccc(c1)Cl 0dcf64286a7db200bf75fbee108c9578 [0,1,0,0,1,0|0,0,0]=2 3699 B14R1.20 C[C@@H](NCCC#N)c1cccc(c1)F 294b058bae761991ee7906c29b5bfc90 [0,1,0,0,1,0|0,0,0]=2 3700 B14R1.20 C[C@@H](NCCC#N)c1cccc(n1)Br b449c64bb1869447607b072728814767 [0,1,0,0,1,0|1,0,0]=3 3701 B14R1.20 C[C@@H](NCCC#N)c1ccnc(c1)Br a5386c5ad871f909c34453737d8f01bc [0,1,0,0,1,0|1,0,0]=3 3702 B14R1.20 C[C@@H](NCCC#N)c1ccnc(c1)Cl 0126a657425d6685951dadd02edefed1 [0,1,0,0,1,0|1,0,0]=3 3703 B14R1.20 C[C@@H](NCCC#N)c1cncc(c1)Br e10be76da5cf2326c9c1fc1487d536af [0,1,0,0,1,0|1,0,0]=3 3704 B14R1.20 C[C@@H](NCCC#N)c1cncc(c1)Cl 51feb926e7b0d0c59f81da5b08df64db [0,1,0,0,1,0|1,0,0]=3 3705 B14R1.20 C[C@@H](NCCC=O)c1cccc(c1)Br 6bed01889d0394fa6b800920c2b5e36d [0,1,0,0,1,0|1,0,1]=4 3706 B14R1.20 C[C@@H](NCCC=O)c1cccc(c1)Cl 9072bf01488bac866be4aa3b5a85eb13 [0,1,0,0,1,0|1,0,1]=4 3707 B14R1.20 C[C@@H](NCCC=O)c1cccc(c1)F 1e8aa01ba9063411849492a482117ad7 [0,1,0,0,1,0|1,0,1]=4 3708 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)Br fa7fadfd1708a2875c57953eacde2a19 [0,1,0,0,1,0|1,0,1]=4 3709 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)Cl 476d280ef7766cf309835e4d69dd2c63 [0,1,0,0,1,0|1,0,1]=4 3710 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)F 5544924a612aaacab03a470333ba2fd5 [0,1,0,0,1,0|1,0,1]=4 3711 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)Br 5dcac176276d2470e5658da6014d91ee [0,1,0,0,1,0|1,0,1]=4 3712 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)Cl 74bb119cd7f666dd79335662c5b17c8c [0,1,0,0,1,0|1,0,1]=4 3713 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)F 68b5e3e9bb051335b4b3e6c3fbea00f4 [0,1,0,0,1,0|1,0,1]=4 3714 B14R1.20 C[C@@H](NCCCS)c1cccc(c1)Br 566fbafe7260a23c7c46e2333dc72929 [0,1,0,0,1,0|1,0,1]=4 3715 B14R1.20 C[C@@H](NCCCS)c1cccc(c1)Cl 39cfd22c7d37248e9a75224f07641991 [0,1,0,0,1,0|1,0,1]=4 3716 B14R1.20 C[C@@H](NCCCS)c1cccc(c1)F 6c2c0e0045cbe4bdd3e18a66b7d0c44e [0,1,0,0,1,0|1,0,1]=4 3717 B14R1.20 C[C@@H](NCSC#N)c1ccnc(c1)Cl 9e5232efb195c147a387fb0f86fdd5c0 [0,1,0,0,1,0|2,0,0]=4 3718 B14R1.20 C[C@@H](OCCC#N)c1cccc(c1)Br 143aea4c8592281514ec7ebc272dc979 [0,1,0,0,1,0|1,0,0]=3 3719 B14R1.20 C[C@@H](OCCC#N)c1cccc(c1)Cl 3ccbd9ddcf43175aee708c0e8696a7b4 [0,1,0,0,1,0|1,0,0]=3 3720 B14R1.20 C[C@@H](OCCC#N)c1cccc(c1)F a8c912952bf2a2408e35cab45e60ccbd [0,1,0,0,1,0|1,0,0]=3 3721 B14R1.20 C[C@@H](OCCC#N)c1cccc(n1)Br c3c8cc531b19594caa727b807bfa9f5e [0,1,0,0,1,0|2,0,0]=4 3722 B14R1.20 C[C@@H](OCSC#N)c1cccc(c1)F 8a876b9d69a79c5275c6f33423810923 [0,1,0,0,1,0|2,0,0]=4 3723 B14R1.20 C[C@H](NCCC#N)c1cccc(c1)Br 9871f63ad3c38e01d310d10825bcc03b [0,1,0,0,1,0|0,0,0]=2 3724 B14R1.20 C[C@H](NCCC#N)c1cccc(c1)Cl b6608c88f81beddef3e0b8df0dc0bda5 [0,1,0,0,1,0|0,0,0]=2 3725 B14R1.20 C[C@H](NCCC#N)c1cccc(c1)F 61b7d76caca11f8cfa8fbbdf3e3042a1 [0,1,0,0,1,0|0,0,0]=2 3726 B14R1.20 C[C@H](NCCC#N)c1cccc(c1)I 5953f91493a556a7c3b5df5f69ba053a [0,1,0,0,1,0|0,0,0]=2 3727 B14R1.20 C[C@H](NCCC#N)c1cccc(n1)Br 6b196b5b3e7e9cc80a808ab63bc4ea4a [0,1,0,0,1,0|1,0,0]=3 3728 B14R1.20 C[C@H](NCCC#N)c1ccnc(c1)Cl 1743f4da194ff2eab88d8e07fdfeb0f3 [0,1,0,0,1,0|1,0,0]=3 3729 B14R1.20 C[C@H](NCCC#N)c1cncc(c1)Br 88ba91283a758238121ca1fdce225d07 [0,1,0,0,1,0|1,0,0]=3 3730 B14R1.20 C[C@H](NCCC#N)c1cncc(c1)Cl ea54c59ff849d9fe218dc258d68534b5 [0,1,0,0,1,0|1,0,0]=3 3731 B14R1.20 C[C@H](NCCC#N)c1cncc(c1)F 5fb5fc3258dcc615bb35a01a5f15a118 [0,1,0,0,1,0|1,0,0]=3 3732 B14R1.20 C[C@H](NCCC=O)c1cccc(c1)Br 38cb25fe5831c40a36ea177d9e83a86a [0,1,0,0,1,0|1,0,1]=4 3733 B14R1.20 C[C@H](NCCC=O)c1cccc(c1)Cl cbb86035a613a5955051721bae10f2c0 [0,1,0,0,1,0|1,0,1]=4 3734 B14R1.20 C[C@H](NCCC=O)c1cccc(c1)F 328c1e47b4399ec25bfaf998cb8b05b6 [0,1,0,0,1,0|1,0,1]=4 3735 B14R1.20 C[C@H](NCCC=O)c1cccc(c1)I 73fc883f09b486f060bba15a868d0739 [0,1,0,0,1,0|1,0,1]=4 3736 B14R1.20 C[C@H](NCCCF)c1cccc(c1)Br e7a1dd809624a682088020993fce208c [0,1,0,0,1,0|1,0,1]=4 3737 B14R1.20 C[C@H](NCCCF)c1cccc(c1)Cl 7a7d041ec435581b458735c105e402a1 [0,1,0,0,1,0|1,0,1]=4 3738 B14R1.20 C[C@H](NCCCF)c1cccc(c1)F 239b9f31a51a23810920dd863370bd79 [0,1,0,0,1,0|1,0,1]=4 3739 B14R1.20 C[C@H](NCCCF)c1cccc(c1)I cf6c4bbb7686f42217ffb115d83fdbec [0,1,0,0,1,0|1,0,1]=4 3740 B14R1.20 C[C@H](NCCCO)c1cccc(c1)Br 171f07c7d7b4e963f0ce2c13108edd28 [0,1,0,0,1,0|1,0,1]=4 3741 B14R1.20 C[C@H](NCCCO)c1cccc(c1)Cl b087c4fa1e5c538471b31dd7f90dce29 [0,1,0,0,1,0|1,0,1]=4 3742 B14R1.20 C[C@H](NCCCO)c1cccc(c1)F 450aa0b3f4d49abf63b337dceb4797fb [0,1,0,0,1,0|1,0,1]=4 3743 B14R1.20 C[C@H](NCCCO)c1cccc(c1)I 3b99d06128ed2a72cde1fa762eb3381c [0,1,0,0,1,0|1,0,1]=4 3744 B14R1.20 C[C@H](NCCCS)c1cccc(c1)Br adc58c0e0f1a68ae5ecc118283e980d6 [0,1,0,0,1,0|1,0,1]=4 3745 B14R1.20 C[C@H](NCCCS)c1cccc(c1)Cl 0bb7539a3530d952e2bd63717e497db0 [0,1,0,0,1,0|1,0,1]=4 3746 B14R1.20 C[C@H](NCCCS)c1cccc(c1)F d9690c3f771c48e04d4185451a5230b6 [0,1,0,0,1,0|1,0,1]=4 3747 B14R1.20 C[C@H](NCCCS)c1cccc(c1)I 8abafd95cfb7cc210c4f6c97be9cce47 [0,1,0,0,1,0|1,0,1]=4 3748 B14R1.20 C[C@H](NCSC#N)c1ccnc(c1)Cl eeaedf10d4937ff7fc89d6e9c2bb62ab [0,1,0,0,1,0|2,0,0]=4 3749 B14R1.20 C[C@H](OCCC#N)c1cccc(c1)Br e8d1ffa1a220769ef7530beca131f284 [0,1,0,0,1,0|1,0,0]=3 3750 B14R1.20 C[C@H](OCCC#N)c1cccc(c1)Cl 4be546fde6083dafbdc2ebd6c539c55a [0,1,0,0,1,0|1,0,0]=3 3751 B14R1.20 C[C@H](OCCC#N)c1cccc(c1)F b1073eb3b7dfbef7862a0c3847f0abd2 [0,1,0,0,1,0|1,0,0]=3 3752 B14R1.20 C[C@H](OCCC#N)c1cncc(c1)Br 345ceba8c22d930fde24ba8a5be7f99a [0,1,0,0,1,0|2,0,0]=4 3753 B14R1.20 C[C@H](OCSC#N)c1cccc(c1)F 03a4bda27fd80ee83cecf7310f4f7905 [0,1,0,0,1,0|2,0,0]=4 3754 B14R1.20 Cc1cc(ccn1)C(C)NCCC#N aab537fd3b8d7fb0e5a26c351a41b4a5 [0,1,0,0,1,0|1,0,0]=3 3755 B14R1.20 Cc1cc(ccn1)C(C)NCSC#N e6b5acb581bb18acf7ac4bdad5429bf3 [0,1,0,0,1,0|2,0,0]=4 3756 B14R1.20 Cc1cc(ccn1)C(C)OCCC#N 9933bbd277cfa9c4f4122f68fbda5466 [0,1,0,0,1,0|2,0,0]=4 3757 B14R1.20 Cc1cc(ccn1)[C@@H](C)NCCC#N 0c13d4903dd74c196d8c2b3f5ad9a677 [0,1,0,0,1,0|1,0,0]=3 3758 B14R1.20 Cc1cc(ccn1)[C@@H](C)NCSC#N 71262bf8a6cc46278e94b41c5bf798db [0,1,0,0,1,0|2,0,0]=4 3759 B14R1.20 Cc1cc(ccn1)[C@H](C)NCCC#N 5d353033529ae7f78617001246d4c528 [0,1,0,0,1,0|1,0,0]=3 3760 B14R1.20 Cc1cc(ccn1)[C@H](C)NCSC#N bc33604279179d3ba254456c58129ce5 [0,1,0,0,1,0|2,0,0]=4 3761 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 3723d99028c45b99b8863dca6357c316 [0,1,0,0,1,0|1,0,1]=4 3762 B14R1.20 Cc1cccc(c1)C(C)NCCC#N f797ddb209d82bcb6b7be38eb799488d [0,1,0,0,1,0|0,0,0]=2 3763 B14R1.20 Cc1cccc(c1)C(C)NCCC=O 33ce919722bc5f847d327c45362d81e9 [0,1,0,0,1,0|1,0,1]=4 3764 B14R1.20 Cc1cccc(c1)C(C)NCCCF f2a6b7bf59a703bed501f1458a8143c2 [0,1,0,0,1,0|1,0,1]=4 3765 B14R1.20 Cc1cccc(c1)C(C)NCCCO 2de719c1e00f4d28e58c3662575cca6f [0,1,0,0,1,0|1,0,1]=4 3766 B14R1.20 Cc1cccc(c1)C(C)NCCCS 7e3af42a54fbdac29d2d9453db730594 [0,1,0,0,1,0|1,0,1]=4 3767 B14R1.20 Cc1cccc(c1)C(C)NCSC#N 977e1590a70c704492beac31622fd710 [0,1,0,0,1,0|1,0,0]=3 3768 B14R1.20 Cc1cccc(c1)C(C)OCCC#N 9ef711fa3ef15744747e0caa53844f5b [0,1,0,0,1,0|1,0,0]=3 3769 B14R1.20 Cc1cccc(c1)C(C)OCSC#N 7fd516e95cbb4edea155beebcc150aea [0,1,0,0,1,0|2,0,0]=4 3770 B14R1.20 Cc1cccc(c1)N(C)CCCC#N 8c98865868db150593e7779272397709 [0,1,0,0,1,0|2,0,0]=4 3771 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCC#N e6afbe1013564dcdc47ba9cc3174e35c [0,1,0,0,1,0|0,0,0]=2 3772 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCC=O d8ac8bbf5dd5ebc91bb484b02505fa83 [0,1,0,0,1,0|1,0,1]=4 3773 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCF 94e9d092b673a5a37d316ad889320726 [0,1,0,0,1,0|1,0,1]=4 3774 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCO d06684d22fcab834457c5d274f962dd8 [0,1,0,0,1,0|1,0,1]=4 3775 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCS 8ba40eb85ecf49458ada7d9c61415f4f [0,1,0,0,1,0|1,0,1]=4 3776 B14R1.20 Cc1cccc(c1)[C@@H](C)NCSC#N b7edd2f1d694fa9564fc6cf5d090d12b [0,1,0,0,1,0|1,0,0]=3 3777 B14R1.20 Cc1cccc(c1)[C@@H](C)OCCC#N bd7eea08a419bc76baf6adb033cfb6c8 [0,1,0,0,1,0|1,0,0]=3 3778 B14R1.20 Cc1cccc(c1)[C@@H](C)OCSC#N 59019302fb94ada096a058af8c1145a0 [0,1,0,0,1,0|2,0,0]=4 3779 B14R1.20 Cc1cccc(c1)[C@H](C)NCCC#N daa0bc9d75aa32caeebe7ef517e235b1 [0,1,0,0,1,0|0,0,0]=2 3780 B14R1.20 Cc1cccc(c1)[C@H](C)NCCC=O 303d74e47efea58294e3eeb263ac647a [0,1,0,0,1,0|1,0,1]=4 3781 B14R1.20 Cc1cccc(c1)[C@H](C)NCCCF 54e50e20f1e2fd54f1de2dbfa487b9eb [0,1,0,0,1,0|1,0,1]=4 3782 B14R1.20 Cc1cccc(c1)[C@H](C)NCCCO b9b0e858919fe79bbfa3ea1aed4a3a23 [0,1,0,0,1,0|1,0,1]=4 3783 B14R1.20 Cc1cccc(c1)[C@H](C)NCCCS 9956e968c582ffbc6b478070d415c6d3 [0,1,0,0,1,0|1,0,1]=4 3784 B14R1.20 Cc1cccc(c1)[C@H](C)NCSC#N 0e45f910440c5335238fa79cdad493e3 [0,1,0,0,1,0|1,0,0]=3 3785 B14R1.20 Cc1cccc(c1)[C@H](C)OCCC#N 2645d3e72bf5f8bcb7b98b4e4ee32e09 [0,1,0,0,1,0|1,0,0]=3 3786 B14R1.20 Cc1cccc(c1)[C@H](C)OCSC#N 7dbdf75757de96d38b1566fb26afaa0a [0,1,0,0,1,0|2,0,0]=4 3787 B14R1.20 Cc1cccc(n1)C(C)NCCC#N fd1a8f1420d7cd018fa3f9ceff748d68 [0,1,0,0,1,0|1,0,0]=3 3788 B14R1.20 Cc1cccc(n1)C(C)OCCC#N 68c93ec025303d9864d816fd568657fa [0,1,0,0,1,0|2,0,0]=4 3789 B14R1.20 Cc1cccc(n1)[C@@H](C)OCCC#N 0bd9a9d045cfc49146683b8d1d2543df [0,1,0,0,1,0|2,0,0]=4 3790 B14R1.20 Cc1cccc(n1)[C@H](C)NCCC#N 715c89ea2945b8d56af20e2f04769559 [0,1,0,0,1,0|1,0,0]=3 3791 B14R1.20 Cc1ccnc(c1)C(C)NCCC#N 329c4538468fbff5fcd6a4aa9c341c27 [0,1,0,0,1,0|1,0,0]=3 3792 B14R1.20 Cc1ccnc(c1)C(C)NCSC#N 4e45e0d98cf85421a9567a8e47a12470 [0,1,0,0,1,0|2,0,0]=4 3793 B14R1.20 Cc1ccnc(c1)C(C)OCCC#N 7588802a92d848776e0ccf9fce2c93dd [0,1,0,0,1,0|2,0,0]=4 3794 B14R1.20 Cc1ccnc(c1)[C@@H](C)OCCC#N 47ecfdc75b7ed56cdf89dc2f2f3fbc6d [0,1,0,0,1,0|2,0,0]=4 3795 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 6f36bcfe02d94f074e6959d8dbca571e [0,1,0,0,1,0|1,0,1]=4 3796 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 5bca55ab0ac7fe705cd9b552a7119fc0 [0,1,0,0,1,0|1,0,1]=4 3797 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 33a23613ca057a701cd9e7c3e8bce31b [0,1,0,0,1,0|1,0,1]=4 3798 B14R1.20 N#CCCNC(=O)c1cccc(c1)I a3469ae9057129575f7ac0fc34e0f70c [0,1,0,0,1,0|1,0,1]=4 3799 B14R1.20 N#CCCNC(=O)c1cccc(c1)O a6865849b69437fb6c1a0c9c55c421ac [0,1,0,0,1,0|1,0,1]=4 3800 B14R1.20 N#CCCNC(=O)c1cccc(c1)S a88dedab92744024763eaad7019b206d [0,1,0,0,1,0|1,0,1]=4 3801 B14R1.29 C#CCC(=O)NC(C)c1ccccc1 e2ac0f0d1d86a349b5489fe339961b1c [0,1,0,0,1,0|1,0,1]=4 3802 B14R1.29 C#CCC(=O)N[C@@H](C)c1ccccc1 df0f633c5f58252a492097ce095824a4 [0,1,0,0,1,0|1,0,1]=4 3803 B14R1.29 C#CCC(=O)N[C@H](C)c1ccccc1 a0c51431b82443f745a211d9d2e0ae44 [0,1,0,0,1,0|1,0,1]=4 3804 B14R1.29 CC(CC#N)NC(=O)c1ccccc1 1cdbe121c57334af7b8daf2054a85425 [0,1,0,0,1,0|1,0,1]=4 3805 B14R1.29 CC(CC#N)NC(C)c1ccccc1 1cfe7d97f4d0f42192d728b2a07d996b [0,1,0,0,1,0|0,0,0]=2 3806 B14R1.29 CC(CC#N)NC(C)c1ccccn1 afd6ad30e1344ca9896b0f377fe05447 [0,1,0,0,1,0|1,0,0]=3 3807 B14R1.29 CC(CC#N)NC(C)c1cccnc1 a5f834cd4f124c3063987d83f1143155 [0,1,0,0,1,0|1,0,0]=3 3808 B14R1.29 CC(CC#N)NC(C)c1cccnn1 1e3f9141fa676e9eee3dfd258b36c60a [0,1,0,0,1,0|2,0,0]=4 3809 B14R1.29 CC(CC#N)NC(C)c1ccncc1 9161c5d5ffe3b75d7875b9731bba7680 [0,1,0,0,1,0|1,0,0]=3 3810 B14R1.29 CC(CC#N)NC(C)c1ccncn1 0eec12e85dce76ee1f0d1c36d4bbba80 [0,1,0,0,1,0|2,0,0]=4 3811 B14R1.29 CC(CC#N)NC(C)c1ccnnc1 158e51a566a19af16e4c04e3783624c1 [0,1,0,0,1,0|2,0,0]=4 3812 B14R1.29 CC(CC#N)NC(C)c1cnccn1 6580d3f3d5a647149a86a66988fd39f5 [0,1,0,0,1,0|2,0,0]=4 3813 B14R1.29 CC(CC#N)NC(C)c1cncnc1 df39ee3165056e2ea62c8bb096196029 [0,1,0,0,1,0|2,0,0]=4 3814 B14R1.29 CC(CC#N)NC(C)c1ncccn1 a8ab7095374e21995f9969cf08e3bf4d [0,1,0,0,1,0|2,0,0]=4 3815 B14R1.29 CC(CC#N)N[C@@H](C)c1ccccc1 44aa78ec979278e4b3a6b9de7cc6bdcc [0,1,0,0,1,0|0,0,0]=2 3816 B14R1.29 CC(CC#N)N[C@@H](C)c1ccccn1 5fdd0a4ddce7bc2cef90500506fbbaea [0,1,0,0,1,0|1,0,0]=3 3817 B14R1.29 CC(CC#N)N[C@@H](C)c1cccnc1 86552a56ec656e3657ab501faea9319b [0,1,0,0,1,0|1,0,0]=3 3818 B14R1.29 CC(CC#N)N[C@@H](C)c1ccncc1 d00cee655e96843c860e9449524762aa [0,1,0,0,1,0|1,0,0]=3 3819 B14R1.29 CC(CC#N)N[C@@H](C)c1cncnc1 612782d3282eb99c1a8aab9e283d5311 [0,1,0,0,1,0|2,0,0]=4 3820 B14R1.29 CC(CC#N)N[C@H](C)c1ccccc1 bb97cd76775849efa6deb20c60182528 [0,1,0,0,1,0|0,0,0]=2 3821 B14R1.29 CC(CC#N)N[C@H](C)c1ccccn1 c64945d855633f83e7a7b0c485fea77b [0,1,0,0,1,0|1,0,0]=3 3822 B14R1.29 CC(CC#N)N[C@H](C)c1cccnc1 d6ec9269bec8ac696ba7e49195a74db2 [0,1,0,0,1,0|1,0,0]=3 3823 B14R1.29 CC(CC#N)N[C@H](C)c1ccncc1 9b79c612f76fa28c5a640dd57c765d48 [0,1,0,0,1,0|1,0,0]=3 3824 B14R1.29 CC(CC#N)N[C@H](C)c1cncnc1 66685602b7487877f14d3a53f68e2b05 [0,1,0,0,1,0|2,0,0]=4 3825 B14R1.29 CC(CC#N)OC(C)c1ccccc1 a05b4d68d2cd86f6bac49efbc52413a9 [0,1,0,0,1,0|1,0,0]=3 3826 B14R1.29 CC(CC#N)OC(C)c1cccnc1 2c7405970c3eeca99d8a5e2fe0a91108 [0,1,0,0,1,0|2,0,0]=4 3827 B14R1.29 CC(CC#N)OC(C)c1ccncc1 aa9c1957ada8b3ac060bca321d9ab061 [0,1,0,0,1,0|2,0,0]=4 3828 B14R1.29 CC(CC#N)O[C@@H](C)c1ccccc1 2005532ca8f6c1d9fc09416eefa7d81e [0,1,0,0,1,0|1,0,0]=3 3829 B14R1.29 CC(CC#N)O[C@@H](C)c1cccnc1 f46e394ff595a7e36bdd4ee68d3ea655 [0,1,0,0,1,0|2,0,0]=4 3830 B14R1.29 CC(CC#N)O[C@@H](C)c1ccncc1 a33d3a22561954e6b7df42ec2b56389d [0,1,0,0,1,0|2,0,0]=4 3831 B14R1.29 CC(CC#N)O[C@H](C)c1ccccc1 0ad21717082ba65a4ede6c821c873096 [0,1,0,0,1,0|1,0,0]=3 3832 B14R1.29 CC(CC#N)O[C@H](C)c1cccnc1 2b1b41aea6f14075486befe34c8f4cb8 [0,1,0,0,1,0|2,0,0]=4 3833 B14R1.29 CC(CC#N)O[C@H](C)c1ccncc1 2f1bd07e7aae70c189c312395fd2fc82 [0,1,0,0,1,0|2,0,0]=4 3834 B14R1.29 CC(CN(C)CC#N)c1ccccc1 2cb46c4ef49ab72705abd18b35b84730 [0,1,0,0,1,0|2,0,0]=4 3835 B14R1.29 CC(NC(=O)CC#N)c1ccccn1 628afd303f09506e699eb1c84a88aea0 [0,1,0,0,1,0|1,0,1]=4 3836 B14R1.29 CC(NC(=O)CC#N)c1cccnc1 70cc45021244618e26f06a2468b5bba5 [0,1,0,0,1,0|1,0,1]=4 3837 B14R1.29 CC(NC(=O)CC#N)c1ccncc1 46f54b880600189a6f6a221c0cc657f3 [0,1,0,0,1,0|1,0,1]=4 3838 B14R1.29 COCC(C)NC(C)c1ccccc1 d8ed5b88bef57a80010208401f5e0cfe [0,1,0,0,1,0|2,0,0]=4 3839 B14R1.29 COCC(C)N[C@@H](C)c1ccccc1 20a55f0a239c1464617a086dd3928879 [0,1,0,0,1,0|2,0,0]=4 3840 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 ce5cc1254a92fc6d123c905c15ccc9c2 [0,1,0,0,1,0|2,0,0]=4 3841 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccccn1 608c2481b7ecfa143f8264d35de68385 [0,1,0,0,1,0|1,0,1]=4 3842 B14R1.29 C[C@@H](NC(=O)CC#N)c1cccnc1 209c6e510a182874aaa3f5b1c50ec14a [0,1,0,0,1,0|1,0,1]=4 3843 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccncc1 001660db4978885e9c4b1321789f6bfc [0,1,0,0,1,0|1,0,1]=4 3844 B14R1.29 C[C@H](CN(C)CC#N)c1ccccc1 d4140ffa8dab4eb7685b12d34053575b [0,1,0,0,1,0|2,0,0]=4 3845 B14R1.29 C[C@H](NC(=O)CC#N)c1ccccn1 4748339c3e6ce6f6e85994357991b303 [0,1,0,0,1,0|1,0,1]=4 3846 B14R1.29 C[C@H](NC(=O)CC#N)c1cccnc1 ba71d5ac1cecefa5c3ec3f8f085f1a0a [0,1,0,0,1,0|1,0,1]=4 3847 B14R1.29 C[C@H](NC(=O)CC#N)c1ccncc1 fcc621662e5116b0307d37211b464fa7 [0,1,0,0,1,0|1,0,1]=4 3848 B14R1.46 C#CCCNC(C)(C)c1ccccc1 0af6328445af94bc01a31766227fe3a2 [0,1,0,0,1,0|1,0,0]=3 3849 B14R1.46 C#CCCNC(C)(C)c1ccccn1 1c3ecaecd11437d5e4c61e54cdb6afe8 [0,1,0,0,1,0|2,0,0]=4 3850 B14R1.46 C#CCCNC(C)(C)c1cccnc1 19fca26e0fd3f2efdf0162ff8496292a [0,1,0,0,1,0|2,0,0]=4 3851 B14R1.46 C#CCCNC(C)(C)c1ccncc1 88c8af47011f20bf256681316ad3d06f [0,1,0,0,1,0|2,0,0]=4 3852 B14R1.46 C#CCCOC(C)(C)c1ccccc1 f38a334dfc689e7f137b38f1b98eede1 [0,1,0,0,1,0|2,0,0]=4 3853 B14R1.46 C=CCCNC(C)(C)c1ccccc1 f434df5a30ab30f275b28d12eb6df0f0 [0,1,0,0,1,0|1,0,1]=4 3854 B14R1.46 CC(C)(CNCC#N)c1ccccc1 b8412b98656032e54ead51d6470da8eb [0,1,0,0,1,0|2,0,0]=4 3855 B14R1.46 CC(C)(NCCC#N)c1ccccc1 5cdd9e427992b591f2b7ecdd8d0e823e [0,1,0,0,1,0|0,0,0]=2 3856 B14R1.46 CC(C)(NCCC#N)c1ccccn1 1464ea94ecf672aa0304933d3d4e1e1f [0,1,0,0,1,0|1,0,0]=3 3857 B14R1.46 CC(C)(NCCC#N)c1cccnc1 13a6537e42768101383e3e797596f4c9 [0,1,0,0,1,0|1,0,0]=3 3858 B14R1.46 CC(C)(NCCC#N)c1ccncc1 ba2846a4cf7de62b82d454ccd4f750be [0,1,0,0,1,0|1,0,0]=3 3859 B14R1.46 CC(C)(NCCC=O)c1ccccc1 58b1a4e98843d7ef2b11fc8c680232a9 [0,1,0,0,1,0|1,0,1]=4 3860 B14R1.46 CC(C)(NCCCF)c1ccccc1 d1a2a102c8036a194d9cbcf02963385f [0,1,0,0,1,0|1,0,1]=4 3861 B14R1.46 CC(C)(NCCCS)c1ccccc1 bd348a85725fb8aef9f222d9f7bfe9a1 [0,1,0,0,1,0|1,0,1]=4 3862 B14R1.46 CC(C)(OCCC#N)c1ccccc1 d507aa2869100f39661a938eb85dd304 [0,1,0,0,1,0|1,0,0]=3 3863 B14R1.46 CC(C)(OCCC#N)c1ccccn1 fdc236dc10efdf0a4b5191ff99242313 [0,1,0,0,1,0|2,0,0]=4 3864 B14R1.46 CC(C)(OCCC#N)c1cccnc1 1d20c989f10791274f6b84ca1e952409 [0,1,0,0,1,0|2,0,0]=4 3865 B14R1.46 CC(C)(OCCC#N)c1ccncc1 168a127402175ee9af7fc9fbcb876954 [0,1,0,0,1,0|2,0,0]=4 3866 B14R1.46 CC(C)(OCSC#N)c1ccccc1 2675f40e061016f5c6eaad9680512bb6 [0,1,0,0,1,0|2,0,0]=4 3867 B14R1.46 CC(O)(CNCC#N)c1ccccc1 083d195e12ced3d0b8eebfd0cf7e7376 [0,1,0,0,1,0|2,0,0]=4 3868 B14R1.46 CCCCNC(C)(C)c1ccccc1 21dcd8e05b7743c454b666a9993d5176 [0,1,0,0,1,0|1,0,1]=4 3869 B14R1.46 COCCNC(C)(C)c1ccccc1 fc330f809af8a5ad29796b8fbb0ddcba [0,1,0,0,1,0|2,0,0]=4 3870 B14R1.46 CSCCNC(C)(C)c1ccccc1 ee6b7c289653c0be6389ff80b53260b2 [0,1,0,0,1,0|2,0,0]=4 3871 B14R1.121 C#CC(OCCC#N)c1ccccc1 d163c76c53c927c7ad8757e19b75927b [0,1,0,0,1,0|1,0,1]=4 3872 B14R1.121 C#CCCNC(C#N)c1ccccc1 825732767799b8dca6b36e31152c5471 [0,1,0,0,1,0|1,0,1]=4 3873 B14R1.121 C#CCCNC(C=C)c1ccccc1 6d728d6874e1a1c5b1200aeea58c7e24 [0,1,0,0,1,0|1,0,1]=4 3874 B14R1.121 C#CCCNC(C=O)c1ccccc1 256720f95823d17bc1eea991861dad18 [0,1,0,0,1,0|1,0,1]=4 3875 B14R1.121 C#CCCNC(CC)c1ccccc1 a12153d7e3540dcce149802d7abc9ac0 [0,1,0,0,1,0|1,0,0]=3 3876 B14R1.121 C#CCCNC(CC)c1ccccn1 4508808a1b4a8a86a42597108ff88b64 [0,1,0,0,1,0|2,0,0]=4 3877 B14R1.121 C#CCCNC(CC)c1cccnc1 2a42f785c2d14f71ab8a32847ab0c544 [0,1,0,0,1,0|2,0,0]=4 3878 B14R1.121 C#CCCNC(CC)c1ccncc1 229dd4c3d7518e06dd504fb9f02db7fa [0,1,0,0,1,0|2,0,0]=4 3879 B14R1.121 C#CCCNC(CO)c1ccccc1 bf7cd5944351f147fbc9d08f432adb27 [0,1,0,0,1,0|1,0,0]=3 3880 B14R1.121 C#CCCNC(CO)c1ccccn1 92487410d496dc65acabb7de75d11c77 [0,1,0,0,1,0|2,0,0]=4 3881 B14R1.121 C#CCCNC(CO)c1cccnc1 86931ca9d62b2fe751b7ae891033f65b [0,1,0,0,1,0|2,0,0]=4 3882 B14R1.121 C#CCCNC(CO)c1ccncc1 cdc5aafa94c9e7dda39c064352e02870 [0,1,0,0,1,0|2,0,0]=4 3883 B14R1.121 C#CCCN[C@@H](C=C)c1ccccc1 56ce4a12ba3b2cd30e2ab7c0dcbcde17 [0,1,0,0,1,0|1,0,1]=4 3884 B14R1.121 C#CCCN[C@@H](CC)c1ccccc1 a19b07a9a50f8e7a775a4838ab75b9d4 [0,1,0,0,1,0|1,0,0]=3 3885 B14R1.121 C#CCCN[C@@H](CC)c1ccccn1 f61e457318aec245eaf1b085dfe0b53e [0,1,0,0,1,0|2,0,0]=4 3886 B14R1.121 C#CCCN[C@@H](CC)c1ccncc1 35b084e6ca889177307f7114777592b1 [0,1,0,0,1,0|2,0,0]=4 3887 B14R1.121 C#CCCN[C@@H](CF)c1ccccc1 4ecbbd7e16d152d7e2811218a89a686f [0,1,0,0,1,0|1,0,0]=3 3888 B14R1.121 C#CCCN[C@@H](CO)c1ccccc1 f9688ef7b7cdae7c08bf8b2294dbedf6 [0,1,0,0,1,0|1,0,0]=3 3889 B14R1.121 C#CCCN[C@@H](CO)c1cccnc1 f23102ba20958825acfbb9c9b20c1356 [0,1,0,0,1,0|2,0,0]=4 3890 B14R1.121 C#CCCN[C@H](C=C)c1ccccc1 456687f6aee19b91cc52e787c4424067 [0,1,0,0,1,0|1,0,1]=4 3891 B14R1.121 C#CCCN[C@H](CC)c1ccccc1 97226dc0778eddc3b465013d43571434 [0,1,0,0,1,0|1,0,0]=3 3892 B14R1.121 C#CCCN[C@H](CC)c1ccccn1 43b9b8116ad8acb9f45641a8a70823ba [0,1,0,0,1,0|2,0,0]=4 3893 B14R1.121 C#CCCN[C@H](CO)c1ccccc1 892f581eda1159c0dfb6259526916ab3 [0,1,0,0,1,0|1,0,0]=3 3894 B14R1.121 C#CCCN[C@H](CO)c1cccnc1 3ef7906aabe2aa3a784e46b3cfbbb7c6 [0,1,0,0,1,0|2,0,0]=4 3895 B14R1.121 C#CCCN[C@H](CO)c1ccncc1 99d645bf2fa3051f138c3e9d9bca7fc7 [0,1,0,0,1,0|2,0,0]=4 3896 B14R1.121 C#CCCOC(CC)c1ccccc1 fb61067ad20d1c5eeb25d3d56c659723 [0,1,0,0,1,0|2,0,0]=4 3897 B14R1.121 C#CCCOC(CF)c1ccccc1 6e9e1f36915df93c4f399370e7ec71be [0,1,0,0,1,0|2,0,0]=4 3898 B14R1.121 C#CCCOC(CS)c1ccccc1 82b6a0d56053815adcf785176fac201e [0,1,0,0,1,0|2,0,0]=4 3899 B14R1.121 C#CCCO[C@@H](CC)c1ccccc1 c5aa913cccef7f1e1a39d235c6dcbfa6 [0,1,0,0,1,0|2,0,0]=4 3900 B14R1.121 C#CCCO[C@H](CC)c1ccccc1 9efd099fb3eaa2d85f47d18cbfc9a93e [0,1,0,0,1,0|2,0,0]=4 3901 B14R1.121 C#CCCO[C@H](CF)c1ccccc1 4e78079910f17945a40a00da5a9367d9 [0,1,0,0,1,0|2,0,0]=4 3902 B14R1.121 C#C[C@@H](OCCC#N)c1ccccc1 0a55184a28d45ae24bccfef9c53bff49 [0,1,0,0,1,0|1,0,1]=4 3903 B14R1.121 C#C[C@H](OCCC#N)c1ccccc1 63e672fc1a6bab63f6899cd87fbc01ec [0,1,0,0,1,0|1,0,1]=4 3904 B14R1.121 C=CC(NCCC#N)c1ccccc1 74c690fbac998482c3f30f2696bd95a9 [0,1,0,0,1,0|0,0,1]=3 3905 B14R1.121 C=CC(NCSC#N)c1ccccc1 cfe9510dcceeb85d0bc1019e6021aff1 [0,1,0,0,1,0|1,0,1]=4 3906 B14R1.121 C=CC(OCCC#N)c1ccccc1 c356e9fb2612f735c29ba3aafc004683 [0,1,0,0,1,0|1,0,1]=4 3907 B14R1.121 C=CCCNC(CC)c1ccccc1 4b9bc4b840c1d822b6228d84134557c3 [0,1,0,0,1,0|1,0,1]=4 3908 B14R1.121 C=CCCNC(CO)c1ccccc1 02cef73a59fd6a5c3fcb117f2cdf83cc [0,1,0,0,1,0|1,0,1]=4 3909 B14R1.121 C=CCCN[C@@H](CC)c1ccccc1 3e8311900e2240d994a18966e164bcd4 [0,1,0,0,1,0|1,0,1]=4 3910 B14R1.121 C=CCCN[C@@H](CF)c1ccccc1 3f3c27cc23e14129387f61ad4010578f [0,1,0,0,1,0|1,0,1]=4 3911 B14R1.121 C=CCCN[C@@H](CO)c1ccccc1 2fd7c1eb03df6c4326fe5da0adf32f95 [0,1,0,0,1,0|1,0,1]=4 3912 B14R1.121 C=CCCN[C@H](CC)c1ccccc1 849e6bba4b89035aacfaeb8a68c66391 [0,1,0,0,1,0|1,0,1]=4 3913 B14R1.121 C=CCCN[C@H](CO)c1ccccc1 ed3f7ded20c2a05e50f0ebb670d39f8f [0,1,0,0,1,0|1,0,1]=4 3914 B14R1.121 C=C[C@@H](NCCC#N)c1ccccc1 8f06ba776f5b9d2ece9ff9691e6869c9 [0,1,0,0,1,0|0,0,1]=3 3915 B14R1.121 C=C[C@@H](NCSC#N)c1ccccc1 abb72428b900363fcdc93f8c26f4ed6d [0,1,0,0,1,0|1,0,1]=4 3916 B14R1.121 C=C[C@H](NCCC#N)c1ccccc1 428d1076732094d914b6c7c86d7ea5de [0,1,0,0,1,0|0,0,1]=3 3917 B14R1.121 C=C[C@H](NCSC#N)c1ccccc1 31fb1703650afc2bec4af45dfd227c03 [0,1,0,0,1,0|1,0,1]=4 3918 B14R1.121 CC#CCNC(CC)c1ccccc1 5ead90e4a5da96bdc194ee3e6be5b042 [0,1,0,0,1,0|1,0,1]=4 3919 B14R1.121 CCC(COCC#N)c1ccccc1 74c09240c9037796e9fe28139038280d [0,1,0,0,1,0|2,0,0]=4 3920 B14R1.121 CCC(NCCC#N)c1ccccc1 d9b82849ae4f9b1633f7bd72ab6a56ce [0,1,0,0,1,0|0,0,0]=2 3921 B14R1.121 CCC(NCCC#N)c1ccccn1 b3298e2892b54eb916dc62c8809b1563 [0,1,0,0,1,0|1,0,0]=3 3922 B14R1.121 CCC(NCCC#N)c1cccnc1 2d35e7818c3d9ca2117c795783db975e [0,1,0,0,1,0|1,0,0]=3 3923 B14R1.121 CCC(NCCC#N)c1ccncc1 750a381b59c00b3e7b029338a79c4045 [0,1,0,0,1,0|1,0,0]=3 3924 B14R1.121 CCC(NCCC#N)c1cnccn1 c3895c67fc67ad70ce39d0cf4715d021 [0,1,0,0,1,0|2,0,0]=4 3925 B14R1.121 CCC(NCCC#N)c1ncccn1 295e99a86530f2a7e2eb0b01d0f9d113 [0,1,0,0,1,0|2,0,0]=4 3926 B14R1.121 CCC(NCCC=O)c1ccccc1 1fbb9239c32dd7c309fdd40c5ce110cd [0,1,0,0,1,0|1,0,1]=4 3927 B14R1.121 CCC(NCCCCl)c1ccccc1 61c66e85ee40293a4b5ba5446242706c [0,1,0,0,1,0|1,0,1]=4 3928 B14R1.121 CCC(NCCCF)c1ccccc1 7ed2fec41740627e8b09d618edff54c7 [0,1,0,0,1,0|1,0,1]=4 3929 B14R1.121 CCC(NCCCO)c1ccccc1 7448cdefb3dd8788ff6d97c62120f039 [0,1,0,0,1,0|1,0,1]=4 3930 B14R1.121 CCC(NCCOC)c1ccccc1 0522479c320e81f941ee2c6356f60da2 [0,1,0,0,1,0|2,0,0]=4 3931 B14R1.121 CCC(NCCON)c1ccccc1 24b09f82a9fbcf6b960ae0086f24e620 [0,1,0,0,1,0|1,0,1]=4 3932 B14R1.121 CCC(NCCSC)c1ccccc1 158eb97a0d7417e478d0297dbdbbbea2 [0,1,0,0,1,0|2,0,0]=4 3933 B14R1.121 CCC(NCSC#N)c1ccccn1 4a350704ae9538a26ebb6a99e8b34fe1 [0,1,0,0,1,0|2,0,0]=4 3934 B14R1.121 CCC(NCSC#N)c1cccnc1 ea6ce08f8ce609a167e6ea90a96ee2d4 [0,1,0,0,1,0|2,0,0]=4 3935 B14R1.121 CCC(NCSC#N)c1ccncc1 b37cd7d2a0317c9402edff232c1a6ede [0,1,0,0,1,0|2,0,0]=4 3936 B14R1.121 CCC(OCCC#N)c1ccccc1 4b372f6c80642791c732bf28f938b7e7 [0,1,0,0,1,0|1,0,0]=3 3937 B14R1.121 CCC(OCSC#N)c1ccccc1 91b31b02c8994d8d95b3fdb37407840c [0,1,0,0,1,0|2,0,0]=4 3938 B14R1.121 CCCCNC(CC)c1ccccc1 d1d8d5d1f52fbfbc916d360cea34d9b4 [0,1,0,0,1,0|1,0,1]=4 3939 B14R1.121 CCCCNC(CO)c1ccccc1 725e531bb973f859f88199c0f81c808b [0,1,0,0,1,0|1,0,1]=4 3940 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 5540c85f5a1e8a798487b8310da0c624 [0,1,0,0,1,0|1,0,1]=4 3941 B14R1.121 CCCCN[C@@H](CF)c1ccccc1 56d618f0b1b775305c02332c0c02dd91 [0,1,0,0,1,0|1,0,1]=4 3942 B14R1.121 CCCCN[C@@H](CO)c1ccccc1 a31c11ed938c8ebda2002ee3ce7267e6 [0,1,0,0,1,0|1,0,1]=4 3943 B14R1.121 CCCCN[C@H](CC)c1ccccc1 79de95460937bf3fd51edad2c961d6d5 [0,1,0,0,1,0|1,0,1]=4 3944 B14R1.121 CCCCN[C@H](CO)c1ccccc1 9281ec3b40ef852ea324c725abedd27a [0,1,0,0,1,0|1,0,1]=4 3945 B14R1.121 CC[C@@H](NCCC#N)c1ccccc1 179a35450ec327b43955174fd33ddaa0 [0,1,0,0,1,0|0,0,0]=2 3946 B14R1.121 CC[C@@H](NCCC#N)c1ccccn1 7dd0af0d5699f115d57df69cd4d46cc8 [0,1,0,0,1,0|1,0,0]=3 3947 B14R1.121 CC[C@@H](NCCC=O)c1ccccc1 55792e0fa8b0c1908399236aee105520 [0,1,0,0,1,0|1,0,1]=4 3948 B14R1.121 CC[C@@H](NCCCF)c1ccccc1 098e879a1696dfb4668701ed290ede61 [0,1,0,0,1,0|1,0,1]=4 3949 B14R1.121 CC[C@@H](NCCCO)c1ccccc1 9ebf8cd3961f49a92cba799072b6016f [0,1,0,0,1,0|1,0,1]=4 3950 B14R1.121 CC[C@@H](NCCOC)c1ccccc1 791c7fdb69bf6ff8011043d388a0d69d [0,1,0,0,1,0|2,0,0]=4 3951 B14R1.121 CC[C@@H](NCCSC)c1ccccc1 f025245c2e51a6425652ae18de72d8fb [0,1,0,0,1,0|2,0,0]=4 3952 B14R1.121 CC[C@@H](NCSC#N)c1ccccn1 a741e5564a958cc09490557d7a8650af [0,1,0,0,1,0|2,0,0]=4 3953 B14R1.121 CC[C@@H](OCCC#N)c1ccccc1 2bc64080cd770be255ccfebcb5f64047 [0,1,0,0,1,0|1,0,0]=3 3954 B14R1.121 CC[C@@H](OCSC#N)c1ccccc1 c5e933589ca05fe9271ef3d3d556e4aa [0,1,0,0,1,0|2,0,0]=4 3955 B14R1.121 CC[C@H](NCCC#N)c1ccccc1 f37293e69dcaeff322b7d1785b55beaf [0,1,0,0,1,0|0,0,0]=2 3956 B14R1.121 CC[C@H](NCCC#N)c1ccccn1 ceeb636ec0f6426948b6c422b81bea13 [0,1,0,0,1,0|1,0,0]=3 3957 B14R1.121 CC[C@H](NCCC#N)c1ccncc1 a11f0ceafdbaeea02808726b046b8ecd [0,1,0,0,1,0|1,0,0]=3 3958 B14R1.121 CC[C@H](NCCC=O)c1ccccc1 ba991a7ca0471ecd5578622b8010d5ad [0,1,0,0,1,0|1,0,1]=4 3959 B14R1.121 CC[C@H](NCCCF)c1ccccc1 c248a7e821255b5b97a17fcd70fbcb75 [0,1,0,0,1,0|1,0,1]=4 3960 B14R1.121 CC[C@H](NCCCO)c1ccccc1 7b5bb1c949f3016525e73fe618214c40 [0,1,0,0,1,0|1,0,1]=4 3961 B14R1.121 CC[C@H](NCCOC)c1ccccc1 84ed7a31d7de7ed23ab26427d1b1a5d5 [0,1,0,0,1,0|2,0,0]=4 3962 B14R1.121 CC[C@H](NCCSC)c1ccccc1 11ba7b46485678dc951f290525c76132 [0,1,0,0,1,0|2,0,0]=4 3963 B14R1.121 CC[C@H](NCSC#N)c1ccccn1 155a5ff047cde5212c770d18d02d0a60 [0,1,0,0,1,0|2,0,0]=4 3964 B14R1.121 CC[C@H](NCSC#N)c1ccncc1 1b9b53b672c8c6127b540018dc5f6dba [0,1,0,0,1,0|2,0,0]=4 3965 B14R1.121 CC[C@H](OCCC#N)c1ccccc1 4ea73ea17004c68552c1e2a3e31512f9 [0,1,0,0,1,0|1,0,0]=3 3966 B14R1.121 CC[C@H](OCSC#N)c1ccccc1 5773c7459bce57758b805b5b35b49f98 [0,1,0,0,1,0|2,0,0]=4 3967 B14R1.121 COC(COCC#N)c1ccccc1 7a7aae25e0f756b89ab6d5154761cac5 [0,1,0,0,1,0|2,0,0]=4 3968 B14R1.121 COCCNC(CO)c1ccccc1 102d3b09eed29e0c0d499b21d8d84546 [0,1,0,0,1,0|2,0,0]=4 3969 B14R1.121 COCCN[C@@H](CF)c1ccccc1 913f611b99c27ab2fb251aa49fc9bd7d [0,1,0,0,1,0|2,0,0]=4 3970 B14R1.121 COCCN[C@@H](CO)c1ccccc1 28fff56a60d38dd48d8ddd66a0b08105 [0,1,0,0,1,0|2,0,0]=4 3971 B14R1.121 COCCN[C@H](CO)c1ccccc1 ff3152354edc2275324b4b0e81cfbc49 [0,1,0,0,1,0|2,0,0]=4 3972 B14R1.121 CO[C@@H](COCC#N)c1ccccc1 a8fe68aba25b6f4e7faf39644d3d1bc8 [0,1,0,0,1,0|2,0,0]=4 3973 B14R1.121 CSCCNC(CO)c1ccccc1 05d37e31b0b349b31a89384b3753ce20 [0,1,0,0,1,0|2,0,0]=4 3974 B14R1.121 CSCCN[C@@H](CF)c1ccccc1 bde30030a75a35e71929aebf835d93d5 [0,1,0,0,1,0|2,0,0]=4 3975 B14R1.121 CSCCN[C@@H](CO)c1ccccc1 6e0d70579f99b375527e042ad1865d05 [0,1,0,0,1,0|2,0,0]=4 3976 B14R1.121 CSCCN[C@H](CO)c1ccccc1 52a25b084764312cbab1f65180616d76 [0,1,0,0,1,0|2,0,0]=4 3977 B14R1.121 FCCCN[C@@H](CF)c1ccccc1 0b22e1353e7500666f0d3f72b2da1636 [0,1,0,0,1,0|1,0,1]=4 3978 B14R1.121 FC[C@H](NCCCS)c1ccccc1 6a960c92341be9bc6f97d96ca4be43e6 [0,1,0,0,1,0|1,0,1]=4 3979 B14R1.121 N#CCCNC(C#N)c1ccccc1 b674dc6365c5a8681cddaada4f9158d8 [0,1,0,0,1,0|0,0,1]=3 3980 B14R1.121 N#CCCNC(C#N)c1cccnc1 d7f8f9116d2ebb082f1679ef8ea99996 [0,1,0,0,1,0|1,0,1]=4 3981 B14R1.121 N#CCCNC(C=O)c1ccccc1 586e7419ce679a56dd82f7b6825493fd [0,1,0,0,1,0|0,0,1]=3 3982 B14R1.121 N#CCCNC(CO)c1ccccc1 c8ed927af56c4ab6eee24f371102f268 [0,1,0,0,1,0|0,0,0]=2 3983 B14R1.121 N#CCCNC(CO)c1ccccn1 6e1b1f67d679c4247a5fe48e78c99978 [0,1,0,0,1,0|1,0,0]=3 3984 B14R1.121 N#CCCNC(CO)c1cccnc1 54c907839cf0b1d5f421303d58de9775 [0,1,0,0,1,0|1,0,0]=3 3985 B14R1.121 N#CCCNC(CO)c1ccncc1 3407865540d07c216e1817fb950fe902 [0,1,0,0,1,0|1,0,0]=3 3986 B14R1.121 N#CCCN[C@@H](CF)c1ccccc1 16b2843504ec51a7d4118400782d4733 [0,1,0,0,1,0|0,0,0]=2 3987 B14R1.121 N#CCCN[C@@H](CO)c1ccccc1 adfbd194c1feafb6f4c464c085e07a70 [0,1,0,0,1,0|0,0,0]=2 3988 B14R1.121 N#CCCN[C@@H](CO)c1cccnc1 df14a95ff985bf385ea8605fe203fc37 [0,1,0,0,1,0|1,0,0]=3 3989 B14R1.121 N#CCCN[C@H](CO)c1ccccc1 39b5acc7ed1b47239bf86d9a7061c897 [0,1,0,0,1,0|0,0,0]=2 3990 B14R1.121 N#CCCN[C@H](CO)c1cccnc1 349c374304b7ef04f7d6b6850f3de3cf [0,1,0,0,1,0|1,0,0]=3 3991 B14R1.121 N#CCCN[C@H](CO)c1ccncc1 7d580004790734f2b10817cc945eeaf2 [0,1,0,0,1,0|1,0,0]=3 3992 B14R1.121 N#CCCOC(C#N)c1ccccc1 f3a9c184970557e362dd802db65c9b43 [0,1,0,0,1,0|1,0,1]=4 3993 B14R1.121 N#CCCOC(CF)c1ccccc1 5041821a859502bbc6079c79100c04a0 [0,1,0,0,1,0|1,0,0]=3 3994 B14R1.121 N#CCCOC(CS)c1ccccc1 645fc0b081ea1c525b97675e356d5cad [0,1,0,0,1,0|1,0,0]=3 3995 B14R1.121 N#CCCO[C@@H](C#N)c1ccccc1 0b738c8f4a748846c63e34cf8ae062b2 [0,1,0,0,1,0|1,0,1]=4 3996 B14R1.121 N#CCCO[C@H](CF)c1ccccc1 307558e35300df6f52836074fb4fc160 [0,1,0,0,1,0|1,0,0]=3 3997 B14R1.121 N#CCNCC(CO)c1ccccc1 a2744f23d63ba3f5463647cf278c929c [0,1,0,0,1,0|2,0,0]=4 3998 B14R1.121 N#CSCNC(C#N)c1ccccc1 4fa01043efbae4abb733390ddf128b9e [0,1,0,0,1,0|1,0,1]=4 3999 B14R1.121 N#CSCNC(CO)c1ccccn1 777d64e71682b0ddbfc39378690896e1 [0,1,0,0,1,0|2,0,0]=4 4000 B14R1.121 N#CSCNC(CO)c1cccnc1 8d2f036ee847c4ddc3db9b8693f602d5 [0,1,0,0,1,0|2,0,0]=4 4001 B14R1.121 N#CSCNC(CO)c1ccncc1 a4482bda8d49baf54dc43db9b718ce02 [0,1,0,0,1,0|2,0,0]=4 4002 B14R1.121 N#CSCN[C@@H](CO)c1cccnc1 65411466c5f6915cf1e745e89812c73e [0,1,0,0,1,0|2,0,0]=4 4003 B14R1.121 N#CSCN[C@H](CO)c1cccnc1 f8b8ca87fa52a5ccad151d9f5c0d5771 [0,1,0,0,1,0|2,0,0]=4 4004 B14R1.121 N#CSCN[C@H](CO)c1ccncc1 fe30b5abb2b7363d749f17c80faef8c2 [0,1,0,0,1,0|2,0,0]=4 4005 B14R1.121 N#CSCOC(CF)c1ccccc1 60d67edf6f50fcb0028b7b0c58708a52 [0,1,0,0,1,0|2,0,0]=4 4006 B14R1.121 N#CSCOC(CS)c1ccccc1 6626237c04cc4d481241e83a0780418e [0,1,0,0,1,0|2,0,0]=4 4007 B14R1.121 N#CSCO[C@H](CF)c1ccccc1 64e826110a78cc19ad285e1bcc05b402 [0,1,0,0,1,0|2,0,0]=4 4008 B14R1.121 O=CCCNC(CO)c1ccccc1 8dc87274e108c0b00bfaaee05fd039f4 [0,1,0,0,1,0|1,0,1]=4 4009 B14R1.121 O=CCCN[C@@H](CF)c1ccccc1 65a58f317712f7544a7f28d4349038d2 [0,1,0,0,1,0|1,0,1]=4 4010 B14R1.121 O=CCCN[C@@H](CO)c1ccccc1 2a8b401fd4416424a036c0c7ce8fc0e0 [0,1,0,0,1,0|1,0,1]=4 4011 B14R1.121 O=CCCN[C@H](CO)c1ccccc1 19e3bdc0798a3e9d7d7e57a4006936d0 [0,1,0,0,1,0|1,0,1]=4 4012 B14R1.121 OCC(NCCCF)c1ccccc1 25cea0120390f362c435cb87ee37bd5a [0,1,0,0,1,0|1,0,1]=4 4013 B14R1.121 OCC(NCCCS)c1ccccc1 12a84ce88fc2ff3ff483e36f79b24e5f [0,1,0,0,1,0|1,0,1]=4 4014 B14R1.121 OCCCNC(CO)c1ccccc1 8135fa10f28a33c9281a25f6f0e05a42 [0,1,0,0,1,0|1,0,1]=4 4015 B14R1.121 OCCCN[C@@H](CF)c1ccccc1 ab87a0bcc1dc53cda47aa18d0d676054 [0,1,0,0,1,0|1,0,1]=4 4016 B14R1.121 OCCCN[C@@H](CO)c1ccccc1 d62abf0bd233c1e36a3ccf1adfafc80f [0,1,0,0,1,0|1,0,1]=4 4017 B14R1.121 OCCCN[C@H](CO)c1ccccc1 21b65c618524ef4810e13cad87d40150 [0,1,0,0,1,0|1,0,1]=4 4018 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 913af223ced03ce422350961ffdcf7a4 [0,1,0,0,1,0|1,0,1]=4 4019 B14R1.121 OC[C@@H](NCCCS)c1ccccc1 705755dab31467aee36765438fe6aa97 [0,1,0,0,1,0|1,0,1]=4 4020 B14R1.121 OC[C@H](NCCCF)c1ccccc1 97fce97147303c5d6f0b8b0ebdc04f71 [0,1,0,0,1,0|1,0,1]=4 4021 B14R1.121 OC[C@H](NCCCS)c1ccccc1 da05e19b5c3399c0c52cb959994efc45 [0,1,0,0,1,0|1,0,1]=4 4022 B14R1.163 C=C(C#N)CNC(C)c1ccccc1 c2719c93236935fb7ef03bd91f75e631 [0,1,0,0,1,0|0,0,1]=3 4023 B14R1.163 C=C(C#N)CNC(C)c1ccccn1 baf5de284d48c8fed1bd35280630c416 [0,1,0,0,1,0|1,0,1]=4 4024 B14R1.163 C=C(C#N)CNC(C)c1cccnc1 831446b1fbc984705e5e6e6b2de29824 [0,1,0,0,1,0|1,0,1]=4 4025 B14R1.163 C=C(C#N)CNC(C)c1ccncc1 ee6dfc49986246f797a5f85d24bea127 [0,1,0,0,1,0|1,0,1]=4 4026 B14R1.163 C=C(C#N)CN[C@@H](C)c1ccccc1 91e89cab49a5df9b12b8202a72ad5e12 [0,1,0,0,1,0|0,0,1]=3 4027 B14R1.163 C=C(C#N)CN[C@@H](C)c1ccccn1 8fc5ee159e0ea9804481c8cb6ff3a1f2 [0,1,0,0,1,0|1,0,1]=4 4028 B14R1.163 C=C(C#N)CN[C@@H](C)c1cccnc1 68a8ed4db747a21db00037e89543cde2 [0,1,0,0,1,0|1,0,1]=4 4029 B14R1.163 C=C(C#N)CN[C@@H](C)c1ccncc1 85fd8452b960116a1e258aa6d5792251 [0,1,0,0,1,0|1,0,1]=4 4030 B14R1.163 C=C(C#N)CN[C@H](C)c1ccccc1 0b2dab9ec53d9be7f3a44580ddc378d9 [0,1,0,0,1,0|0,0,1]=3 4031 B14R1.163 C=C(C#N)CN[C@H](C)c1ccccn1 3ba1177d07a41678cdf2fd92ed6dffab [0,1,0,0,1,0|1,0,1]=4 4032 B14R1.163 C=C(C#N)CN[C@H](C)c1cccnc1 ed81cca57b935a3df44d49ae4910b7b5 [0,1,0,0,1,0|1,0,1]=4 4033 B14R1.163 C=C(C#N)CN[C@H](C)c1ccncc1 ad503fc377eb67901e6e576169e33f5a [0,1,0,0,1,0|1,0,1]=4 4034 B14R1.163 C=C(C#N)COC(C)c1ccccc1 91e98c9cc528bb95c18bd5edc4c33c93 [0,1,0,0,1,0|1,0,1]=4 4035 B14R1.163 C=C(C#N)CO[C@@H](C)c1ccccc1 6b1529244238a172277e8afd6dc5dfd2 [0,1,0,0,1,0|1,0,1]=4 4036 B14R1.163 C=C(C#N)CO[C@H](C)c1ccccc1 1926e603bc4873cb231dff1ef5891462 [0,1,0,0,1,0|1,0,1]=4 4037 B14R1.163 C=CC(O)CNC(C)c1ccccc1 acdfaadd125e9d7d97d82fd2220248a0 [0,1,0,0,1,0|1,0,1]=4 4038 B14R1.163 C=CC(O)CN[C@@H](C)c1ccccc1 3a6907d04d45cb755a01c4d24e72713f [0,1,0,0,1,0|1,0,1]=4 4039 B14R1.163 C=CC(O)CN[C@H](C)c1ccccc1 55baa6c75f43e14c1307bf82176b7f6d [0,1,0,0,1,0|1,0,1]=4 4040 B14R1.163 CC(C#N)CNC(=O)c1ccccc1 d1ee74a691ef2950812ea53187563d11 [0,1,0,0,1,0|1,0,1]=4 4041 B14R1.163 CC(C#N)CNC(C)c1ccccc1 e7a8a90dec3390db44b984fdfc6228eb [0,1,0,0,1,0|0,0,0]=2 4042 B14R1.163 CC(C#N)CNC(C)c1ccccn1 4c7c0faae3b7edb3b14c28d15cc14045 [0,1,0,0,1,0|1,0,0]=3 4043 B14R1.163 CC(C#N)CNC(C)c1cccnc1 0ece49489864fdada5e5dbf57cb6a502 [0,1,0,0,1,0|1,0,0]=3 4044 B14R1.163 CC(C#N)CNC(C)c1cccnn1 996ba78e8ed22f227ae85fc33f045b64 [0,1,0,0,1,0|2,0,0]=4 4045 B14R1.163 CC(C#N)CNC(C)c1ccncc1 b9321d8a20410fe90855f7cb2865a226 [0,1,0,0,1,0|1,0,0]=3 4046 B14R1.163 CC(C#N)CNC(C)c1ccncn1 365c15e960ca5fcc6481e3f541310900 [0,1,0,0,1,0|2,0,0]=4 4047 B14R1.163 CC(C#N)CNC(C)c1ccnnc1 072046f82fd9587d6c67ab18411d9c01 [0,1,0,0,1,0|2,0,0]=4 4048 B14R1.163 CC(C#N)CNC(C)c1cnccn1 95585a83da06b5d29c192ce963076eac [0,1,0,0,1,0|2,0,0]=4 4049 B14R1.163 CC(C#N)CNC(C)c1cncnc1 41d92f7b87a0223394d355afe5ade33a [0,1,0,0,1,0|2,0,0]=4 4050 B14R1.163 CC(C#N)CNC(C)c1ncccn1 66720f0278a53cdc19dcd4bb759012f6 [0,1,0,0,1,0|2,0,0]=4 4051 B14R1.163 CC(C#N)CN[C@@H](C)c1ccccc1 b13a24414f571598f43809c6655b90da [0,1,0,0,1,0|0,0,0]=2 4052 B14R1.163 CC(C#N)CN[C@@H](C)c1ccccn1 89141d0cf130547068c379563ef844b6 [0,1,0,0,1,0|1,0,0]=3 4053 B14R1.163 CC(C#N)CN[C@@H](C)c1cccnc1 bdc25c288a0ef66db18c056dbf3a01f7 [0,1,0,0,1,0|1,0,0]=3 4054 B14R1.163 CC(C#N)CN[C@@H](C)c1ccncc1 57f8bb41cbc406db7e632a21ee8c9ed1 [0,1,0,0,1,0|1,0,0]=3 4055 B14R1.163 CC(C#N)CN[C@@H](C)c1cncnc1 b42a8da4a7500162bbfb459363097356 [0,1,0,0,1,0|2,0,0]=4 4056 B14R1.163 CC(C#N)CN[C@H](C)c1ccccc1 091f1e0cc8cb182d9a399fad5b22b809 [0,1,0,0,1,0|0,0,0]=2 4057 B14R1.163 CC(C#N)CN[C@H](C)c1ccccn1 c8d5f541630069f09781b1a8093c40f0 [0,1,0,0,1,0|1,0,0]=3 4058 B14R1.163 CC(C#N)CN[C@H](C)c1cccnc1 be27d9e54275b1590d9ba67843d2f4c5 [0,1,0,0,1,0|1,0,0]=3 4059 B14R1.163 CC(C#N)CN[C@H](C)c1ccncc1 7578d9a10e6ea423847d7dcd70d07175 [0,1,0,0,1,0|1,0,0]=3 4060 B14R1.163 CC(C#N)CN[C@H](C)c1cncnc1 3d29637f4df9c827c7b2afe599394762 [0,1,0,0,1,0|2,0,0]=4 4061 B14R1.163 CC(C#N)COC(C)c1ccccc1 c5f78e62ee070fd938563f65bdbb327c [0,1,0,0,1,0|1,0,0]=3 4062 B14R1.163 CC(C#N)COC(C)c1ccccn1 7bfcff6ff2f0621ad81029becc5996fa [0,1,0,0,1,0|2,0,0]=4 4063 B14R1.163 CC(C#N)COC(C)c1cccnc1 f0df73cdec837325321b7f69d8cbf5cf [0,1,0,0,1,0|2,0,0]=4 4064 B14R1.163 CC(C#N)COC(C)c1ccncc1 22f08a903e40a1641a4d3a5ddc488da0 [0,1,0,0,1,0|2,0,0]=4 4065 B14R1.163 CC(C#N)CO[C@@H](C)c1ccccc1 88e74bbdbad22d827b7811e8c2faa6f9 [0,1,0,0,1,0|1,0,0]=3 4066 B14R1.163 CC(C#N)CO[C@@H](C)c1ccccn1 ff153ed2bdba4de806a75d800448a815 [0,1,0,0,1,0|2,0,0]=4 4067 B14R1.163 CC(C#N)CO[C@@H](C)c1cccnc1 610dd09c42b50d7b0f9317a81117ce8e [0,1,0,0,1,0|2,0,0]=4 4068 B14R1.163 CC(C#N)CO[C@@H](C)c1ccncc1 45bd22c64ad746f693d04dbaea59f02d [0,1,0,0,1,0|2,0,0]=4 4069 B14R1.163 CC(C#N)CO[C@H](C)c1ccccc1 0611ab38f9e1943101f638257d47f0f2 [0,1,0,0,1,0|1,0,0]=3 4070 B14R1.163 CC(C#N)CO[C@H](C)c1ccccn1 ead9aa65baa9ddfef45f6f778e917a43 [0,1,0,0,1,0|2,0,0]=4 4071 B14R1.163 CC(C#N)CO[C@H](C)c1cccnc1 538135e8c2a8fd070b349e37502f0cc5 [0,1,0,0,1,0|2,0,0]=4 4072 B14R1.163 CC(C#N)CO[C@H](C)c1ccncc1 7192c4cf094b4efdd90e0b6904c064fa [0,1,0,0,1,0|2,0,0]=4 4073 B14R1.163 CC(C#N)NCC(C)c1ccccc1 4e0433866e733b4f0789e849428bd774 [0,1,0,0,1,0|2,0,0]=4 4074 B14R1.163 CC(C#N)NC[C@@H](C)c1ccccc1 c55d8bf03b225e2fba8996f68f8d1a54 [0,1,0,0,1,0|2,0,0]=4 4075 B14R1.163 CC(CO)CNC(C)c1ccccc1 b8c5048740af8c2f6ba5a04a035ac405 [0,1,0,0,1,0|1,0,1]=4 4076 B14R1.163 CC(CO)CN[C@@H](C)c1ccccc1 9ac5deb9f592b5e73fb2ad4bf8101fb6 [0,1,0,0,1,0|1,0,1]=4 4077 B14R1.163 CC(CO)CN[C@H](C)c1ccccc1 4bd1ba34d73afb307ef023ff070f3eb8 [0,1,0,0,1,0|1,0,1]=4 4078 B14R1.163 CC(NCC(F)CO)c1ccccc1 4d80881af797ade88168e2d76d4bb289 [0,1,0,0,1,0|1,0,1]=4 4079 B14R1.163 CC(NCC(O)CF)c1ccccc1 ed66b6cdfb7a2bba1edf41a6cc4710d2 [0,1,0,0,1,0|1,0,1]=4 4080 B14R1.163 CC(NCC(O)CO)c1ccccc1 248b96b4b7ad7a7adbd6ff52b500695e [0,1,0,0,1,0|1,0,1]=4 4081 B14R1.163 CC(NC[C@@H](C)CO)c1ccccc1 54b4f4dc24d3d8db7b10f6d4a48ac58e [0,1,0,0,1,0|1,0,1]=4 4082 B14R1.163 CC(NC[C@@H](F)CO)c1ccccc1 3bf52ff39806f4080176938d83d16a76 [0,1,0,0,1,0|1,0,1]=4 4083 B14R1.163 CC(NC[C@@H](O)CO)c1ccccc1 5a959899f28a6fad8a41cc1896f9ff90 [0,1,0,0,1,0|1,0,1]=4 4084 B14R1.163 CC(NC[C@H](C)CO)c1ccccc1 86761362b54f42de6f98a8a433eb747b [0,1,0,0,1,0|1,0,1]=4 4085 B14R1.163 CC(NC[C@H](F)CO)c1ccccc1 f1e29e67682ff3b2570950c5b9e6e9f8 [0,1,0,0,1,0|1,0,1]=4 4086 B14R1.163 CC(NC[C@H](O)CO)c1ccccc1 6653ae1d374ce1a4f5cf8b250d053720 [0,1,0,0,1,0|1,0,1]=4 4087 B14R1.163 CCC(C)CNC(C)c1ccccc1 7cd1e981fcc1c8678782cd7fa901e9bc [0,1,0,0,1,0|1,0,1]=4 4088 B14R1.163 CCC(C)CN[C@@H](C)c1ccccc1 f0f6c01d23e84631b7f4d29f9de4b750 [0,1,0,0,1,0|1,0,1]=4 4089 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 cb76c3d7b0e86a1358a0d31dda13e35a [0,1,0,0,1,0|1,0,1]=4 4090 B14R1.163 CC[C@@H](C)CNC(C)c1ccccc1 ee745d797db06f0968ccf2c8a9e0b9de [0,1,0,0,1,0|1,0,1]=4 4091 B14R1.163 CC[C@@H](C)CN[C@@H](C)c1ccccc1 76ce52e33dee14ba38ff34c1b343d099 [0,1,0,0,1,0|1,0,1]=4 4092 B14R1.163 CC[C@@H](C)CN[C@H](C)c1ccccc1 bd549dd213b4a546c2db8ae77877c1ba [0,1,0,0,1,0|1,0,1]=4 4093 B14R1.163 CC[C@H](C)CNC(C)c1ccccc1 6aa6a51c792d349e9370f457d25eed4c [0,1,0,0,1,0|1,0,1]=4 4094 B14R1.163 CC[C@H](C)CN[C@@H](C)c1ccccc1 68ba1f14910361c8b89151c2f94b0791 [0,1,0,0,1,0|1,0,1]=4 4095 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 e5875a637731f3e8cc48a28a645c1614 [0,1,0,0,1,0|1,0,1]=4 4096 B14R1.163 COC(C)CNC(C)c1ccccc1 90e2ce028614066a33eaf8c8a95d38d0 [0,1,0,0,1,0|2,0,0]=4 4097 B14R1.163 COC(C)CN[C@@H](C)c1ccccc1 2d6b57269ff47f3e4136ed63a8cd4ffd [0,1,0,0,1,0|2,0,0]=4 4098 B14R1.163 COC(C)CN[C@H](C)c1ccccc1 e58c65aca60923b79b737b7b3c019dbd [0,1,0,0,1,0|2,0,0]=4 4099 B14R1.163 CO[C@@H](C)CNC(C)c1ccccc1 dcc1346112caad7b834b9206f181ae4f [0,1,0,0,1,0|2,0,0]=4 4100 B14R1.163 CO[C@@H](C)CN[C@@H](C)c1ccccc1 f473ce9990340d6347adc4a01c13c93c [0,1,0,0,1,0|2,0,0]=4 4101 B14R1.163 CO[C@@H](C)CN[C@H](C)c1ccccc1 187bc8e4aaa6b1bcfe1aca7a496882a5 [0,1,0,0,1,0|2,0,0]=4 4102 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 7d4f076e35d141a8895ff7b2d3c3a8cd [0,1,0,0,1,0|2,0,0]=4 4103 B14R1.163 CO[C@H](C)CN[C@@H](C)c1ccccc1 ce78537a5a4144fee78a1de8a93a0ca1 [0,1,0,0,1,0|2,0,0]=4 4104 B14R1.163 CO[C@H](C)CN[C@H](C)c1ccccc1 0a7795d9fd8a5a66576b1a140b52f4ff [0,1,0,0,1,0|2,0,0]=4 4105 B14R1.163 C[C@@H](CO)CN[C@@H](C)c1ccccc1 8f09c76bfac0d5d87a58450941e68706 [0,1,0,0,1,0|1,0,1]=4 4106 B14R1.163 C[C@@H](CO)CN[C@H](C)c1ccccc1 e87a0d9c5c67388f69fb32607c5b731c [0,1,0,0,1,0|1,0,1]=4 4107 B14R1.163 C[C@@H](NCC(F)CO)c1ccccc1 c3199ed90de8879059b704ac92343664 [0,1,0,0,1,0|1,0,1]=4 4108 B14R1.163 C[C@@H](NCC(O)CF)c1ccccc1 60cc8d615604f16d2dfa3b4e01657054 [0,1,0,0,1,0|1,0,1]=4 4109 B14R1.163 C[C@@H](NCC(O)CO)c1ccccc1 22103a9b9e1bd74f534e4edb2d6ebe65 [0,1,0,0,1,0|1,0,1]=4 4110 B14R1.163 C[C@@H](NC[C@@H](F)CO)c1ccccc1 d6beca059b8b4c53bd1723873e160b1e [0,1,0,0,1,0|1,0,1]=4 4111 B14R1.163 C[C@@H](NC[C@@H](O)CO)c1ccccc1 50630e935aa0a0734b195d0a030e9cff [0,1,0,0,1,0|1,0,1]=4 4112 B14R1.163 C[C@@H](NC[C@H](F)CO)c1ccccc1 2fee5d307b3f7bbcdbb4e8d3e9a1898c [0,1,0,0,1,0|1,0,1]=4 4113 B14R1.163 C[C@@H](NC[C@H](O)CO)c1ccccc1 332724327536cb376a124f4474f991ed [0,1,0,0,1,0|1,0,1]=4 4114 B14R1.163 C[C@H](CO)CN[C@@H](C)c1ccccc1 4c21eb856623e27bd8daef0bd1a07196 [0,1,0,0,1,0|1,0,1]=4 4115 B14R1.163 C[C@H](CO)CN[C@H](C)c1ccccc1 d17fbbfaa1f5482e08e19bb5086193ae [0,1,0,0,1,0|1,0,1]=4 4116 B14R1.163 C[C@H](NCC(F)CO)c1ccccc1 59c9c7d3a2f075b9747698190664cdcb [0,1,0,0,1,0|1,0,1]=4 4117 B14R1.163 C[C@H](NCC(O)CF)c1ccccc1 2e1f97895dab23ef13454a22590bc61c [0,1,0,0,1,0|1,0,1]=4 4118 B14R1.163 C[C@H](NCC(O)CO)c1ccccc1 fd45647653bd464380a062d707524df6 [0,1,0,0,1,0|1,0,1]=4 4119 B14R1.163 C[C@H](NC[C@@H](F)CO)c1ccccc1 2d4963cef9be8627ba93dc43bf9b6ba5 [0,1,0,0,1,0|1,0,1]=4 4120 B14R1.163 C[C@H](NC[C@@H](O)CO)c1ccccc1 66f2c14ef3cdb6143452970cab2c9cc4 [0,1,0,0,1,0|1,0,1]=4 4121 B14R1.163 C[C@H](NC[C@H](F)CO)c1ccccc1 06b9f8338aefaf6390f40abe05574f68 [0,1,0,0,1,0|1,0,1]=4 4122 B14R1.163 C[C@H](NC[C@H](O)CO)c1ccccc1 7666461844093bfb2ec2dfcc33c12941 [0,1,0,0,1,0|1,0,1]=4 4123 B14R1.420 C=C(C)CCNC(C)c1ccccc1 cc39709c5fdad320503858f768d70193 [0,1,0,0,1,0|1,0,1]=4 4124 B14R1.420 C=C(C)CCN[C@@H](C)c1ccccc1 7ec8e99ed37687e9cc101b25c588b9cd [0,1,0,0,1,0|1,0,1]=4 4125 B14R1.420 C=C(C)CCN[C@H](C)c1ccccc1 f26c64cc6f457a8c9fd39dfd95757dd3 [0,1,0,0,1,0|1,0,1]=4 4126 B14R1.420 CC(=O)CCNC(C)c1ccccc1 ecc786fb48284aacb5a36d65b676a83d [0,1,0,0,1,0|1,0,1]=4 4127 B14R1.420 CC(=O)CCN[C@@H](C)c1ccccc1 c2bb31bf3cdde422d1345673e32c5f22 [0,1,0,0,1,0|1,0,1]=4 4128 B14R1.420 CC(=O)CCN[C@H](C)c1ccccc1 a1b9c5385c2414dcf1a04f4bca551c17 [0,1,0,0,1,0|1,0,1]=4 4129 B14R1.420 CC(C)CCNC(C)c1ccccc1 5330fe0038fb1b912b789601864e10dc [0,1,0,0,1,0|1,0,1]=4 4130 B14R1.420 CC(C)CCN[C@@H](C)c1ccccc1 0dafcb9ac4bd8fc71dd1ff7f6be0b5ed [0,1,0,0,1,0|1,0,1]=4 4131 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 22b79b007128d82bbebfa1d94bff41fd [0,1,0,0,1,0|1,0,1]=4 4132 B14R1.420 CC(NCCC(=O)N)c1ccccc1 106f7425bae4a8d7f5c656388446881e [0,1,0,0,1,0|0,0,2]=4 4133 B14R1.420 CC(NCCC(=O)O)c1ccccc1 6cfe35b5910f4ab20c2b61c688051a3a [0,1,0,0,1,0|1,0,1]=4 4134 B14R1.420 CC(NCCS(=O)C)c1ccccc1 ed7e53813632aa43279c690709164d0d [0,1,0,0,1,0|2,0,0]=4 4135 B14R1.420 CC(O)CCNC(C)c1ccccc1 1187f7ab78b62d9ba3f022fa0182c482 [0,1,0,0,1,0|1,0,1]=4 4136 B14R1.420 CC(O)CCN[C@@H](C)c1ccccc1 4baf7fa190fb043ac5d944692032c3d9 [0,1,0,0,1,0|1,0,1]=4 4137 B14R1.420 CC(O)CCN[C@H](C)c1ccccc1 8d574848ddf38cb7d9a95fe6493a5633 [0,1,0,0,1,0|1,0,1]=4 4138 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 1f9efe0336ecb0db800db24247f5c2bc [0,1,0,0,1,0|0,0,2]=4 4139 B14R1.420 C[C@@H](NCCC(=O)O)c1ccccc1 a150b539864a076b577880b4692ee438 [0,1,0,0,1,0|1,0,1]=4 4140 B14R1.420 C[C@@H](NCCS(=O)C)c1ccccc1 ec7b014a8d85330ad71f61c2d0e9481f [0,1,0,0,1,0|2,0,0]=4 4141 B14R1.420 C[C@H](NCCC(=O)N)c1ccccc1 20c7e2a25e68352b3f7bce7fa07d6683 [0,1,0,0,1,0|0,0,2]=4 4142 B14R1.420 C[C@H](NCCC(=O)O)c1ccccc1 5af15fba9302b9d958270ce717f3bb70 [0,1,0,0,1,0|1,0,1]=4 4143 B14R1.420 C[C@H](NCCS(=O)C)c1ccccc1 db4e8db38c571e6756834116a2cab157 [0,1,0,0,1,0|2,0,0]=4 4144 B14R1.1035 C#CCCNC(C)c1ccccc1Br ebb9bccc904b952e5ad7024a9378fa3e [0,1,0,0,1,0|1,0,0]=3 4145 B14R1.1035 C#CCCNC(C)c1ccccc1C 1dab7e38c8614ca2da9a5fd0602f9eaa [0,1,0,0,1,0|1,0,0]=3 4146 B14R1.1035 C#CCCNC(C)c1ccccc1Cl 26319854d2ee6b091ccb003104b92bae [0,1,0,0,1,0|1,0,0]=3 4147 B14R1.1035 C#CCCNC(C)c1ccccc1F bc73040f2f1d95898047ed21c76c706f [0,1,0,0,1,0|1,0,0]=3 4148 B14R1.1035 C#CCCNC(C)c1ccccc1I e1e32a543a1b97ff37695987f6a05ed6 [0,1,0,0,1,0|1,0,0]=3 4149 B14R1.1035 C#CCCNC(C)c1cccnc1Br 3d4f6c45de98a26b69aad1025a8f027e [0,1,0,0,1,0|2,0,0]=4 4150 B14R1.1035 C#CCCNC(C)c1cccnc1C a33a15ce8fda2c3d3370b8e8f9c69e47 [0,1,0,0,1,0|2,0,0]=4 4151 B14R1.1035 C#CCCNC(C)c1ccncc1Br 30726065d0163cd2a36bfccb1112612c [0,1,0,0,1,0|2,0,0]=4 4152 B14R1.1035 C#CCCNC(C)c1ccncc1Cl 15cd6fd9dbcff5db2006a1fe9a4e3476 [0,1,0,0,1,0|2,0,0]=4 4153 B14R1.1035 C#CCCNC(C)c1ccncc1F 79d34e5595cfa4fe9605bb96db13ce55 [0,1,0,0,1,0|2,0,0]=4 4154 B14R1.1035 C#CCCNC(C)c1ncccc1Br e61467aed750eb72d6b924e6f45035dd [0,1,0,0,1,0|2,0,0]=4 4155 B14R1.1035 C#CCCNC(C)c1ncccc1C 79ace9dc3d2d95be1fb09d80faf9e444 [0,1,0,0,1,0|2,0,0]=4 4156 B14R1.1035 C#CCCN[C@@H](C)c1ccccc1Br 9c2507870cd0640f0a520c4263b7d264 [0,1,0,0,1,0|1,0,0]=3 4157 B14R1.1035 C#CCCN[C@@H](C)c1ccccc1C 17110e40a2626c30d2aa437608c22a3e [0,1,0,0,1,0|1,0,0]=3 4158 B14R1.1035 C#CCCN[C@@H](C)c1ccccc1Cl a86f10a34d9405845f1ff9e870e9e9fe [0,1,0,0,1,0|1,0,0]=3 4159 B14R1.1035 C#CCCN[C@@H](C)c1ccccc1F 4833d30c83e51383b26906d1d8e04edb [0,1,0,0,1,0|1,0,0]=3 4160 B14R1.1035 C#CCCN[C@@H](C)c1ncccc1Br 69b7d8d50d6e97d5e6ee07b6d980636a [0,1,0,0,1,0|2,0,0]=4 4161 B14R1.1035 C#CCCN[C@H](C)c1ccccc1Br 832f205ab24897547c78f2093dba7d33 [0,1,0,0,1,0|1,0,0]=3 4162 B14R1.1035 C#CCCN[C@H](C)c1ccccc1C fac1c156a3d1721f99e849a0b6a5d06f [0,1,0,0,1,0|1,0,0]=3 4163 B14R1.1035 C#CCCN[C@H](C)c1ccccc1Cl 7fe8eee17381187eeae3a60881464c6e [0,1,0,0,1,0|1,0,0]=3 4164 B14R1.1035 C#CCCN[C@H](C)c1ccccc1F cfeca6f92fbe3f10215b9b9eb7c3aa50 [0,1,0,0,1,0|1,0,0]=3 4165 B14R1.1035 C#CCCN[C@H](C)c1ncccc1C e37fe3b64bb654351de8b928c8d1172c [0,1,0,0,1,0|2,0,0]=4 4166 B14R1.1035 C#CCCOC(C)c1ccccc1C b588d509dff85eabc8f22a12b91af672 [0,1,0,0,1,0|2,0,0]=4 4167 B14R1.1035 C#CCCOC(C)c1ccccc1Cl ad1e2721d349d5301aaa24306cd193ed [0,1,0,0,1,0|2,0,0]=4 4168 B14R1.1035 C#CCCOC(C)c1ccccc1F 539bcd335e05735b9a452c86cf63d6d8 [0,1,0,0,1,0|2,0,0]=4 4169 B14R1.1035 C#CCCOC(C)c1ccccc1I b62cc6e0443d26cb8ce4d8bdbf1ebd71 [0,1,0,0,1,0|2,0,0]=4 4170 B14R1.1035 C#CCCO[C@@H](C)c1ccccc1C 39ef8c8bc58a04a926d865a5137511ae [0,1,0,0,1,0|2,0,0]=4 4171 B14R1.1035 C#CCCO[C@@H](C)c1ccccc1Cl 8e5bf889168de9dc487d23c68d5c3e6d [0,1,0,0,1,0|2,0,0]=4 4172 B14R1.1035 C#CCCO[C@@H](C)c1ccccc1F 746cbcda0c875c1ab1679f5f0174e7a7 [0,1,0,0,1,0|2,0,0]=4 4173 B14R1.1035 C#CCCO[C@H](C)c1ccccc1Cl 3e80b690df8cea375033bb9f22983ad1 [0,1,0,0,1,0|2,0,0]=4 4174 B14R1.1035 C#CCCO[C@H](C)c1ccccc1F 3ec14f867dd69ea4e8e56192f940b7f1 [0,1,0,0,1,0|2,0,0]=4 4175 B14R1.1035 C=CCCNC(C)c1ccccc1Br f6e8759790fa6890f7c0fe195d2e1b76 [0,1,0,0,1,0|1,0,1]=4 4176 B14R1.1035 C=CCCNC(C)c1ccccc1C ac8fa52126b25ea56e12e78534f17431 [0,1,0,0,1,0|1,0,1]=4 4177 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 6c8c33aab65c94f9405d32a39bd74874 [0,1,0,0,1,0|1,0,1]=4 4178 B14R1.1035 C=CCCNC(C)c1ccccc1F 7f85c4e9aec1e9d66491e4d7d369ce64 [0,1,0,0,1,0|1,0,1]=4 4179 B14R1.1035 C=CCCNC(C)c1ccccc1I f4eddc2a89103920a4c279a2c3256a7e [0,1,0,0,1,0|1,0,1]=4 4180 B14R1.1035 C=CCCN[C@@H](C)c1ccccc1Br 845ae508fd9822c4895415287636df35 [0,1,0,0,1,0|1,0,1]=4 4181 B14R1.1035 C=CCCN[C@@H](C)c1ccccc1C f6c2e5813eb8d8aecf2122945e61e45e [0,1,0,0,1,0|1,0,1]=4 4182 B14R1.1035 C=CCCN[C@@H](C)c1ccccc1Cl 9500c1762f62ce2a1404208e3a839aa1 [0,1,0,0,1,0|1,0,1]=4 4183 B14R1.1035 C=CCCN[C@@H](C)c1ccccc1F fa75ec0ca6a0bbddba5ebe2c21974a9b [0,1,0,0,1,0|1,0,1]=4 4184 B14R1.1035 C=CCCN[C@H](C)c1ccccc1Br fd62bf269ee1c9c7ffc97c7cc696bf9f [0,1,0,0,1,0|1,0,1]=4 4185 B14R1.1035 C=CCCN[C@H](C)c1ccccc1C b456ded708665e9961ef8c43f4df8c43 [0,1,0,0,1,0|1,0,1]=4 4186 B14R1.1035 C=CCCN[C@H](C)c1ccccc1Cl 20192d9f25a732804a1b9bc80b62f51f [0,1,0,0,1,0|1,0,1]=4 4187 B14R1.1035 C=CCCN[C@H](C)c1ccccc1F 83667943b0d99104dd3c253146670d01 [0,1,0,0,1,0|1,0,1]=4 4188 B14R1.1035 CC(NCCC#N)c1ccccc1Cl 9832891c19fb5bd8078d6dfafbbc2cf4 [0,1,0,0,1,0|0,0,0]=2 4189 B14R1.1035 CC(NCCC#N)c1ccccc1F c248d1ebc9deaea07fc138e735e325de [0,1,0,0,1,0|0,0,0]=2 4190 B14R1.1035 CC(NCCC#N)c1ccccc1I 693b92e30777ca3ac01c02996e0058c9 [0,1,0,0,1,0|0,0,0]=2 4191 B14R1.1035 CC(NCCC#N)c1cccnc1Br 6691c9dd9d176872d83284e59ddd7ba9 [0,1,0,0,1,0|1,0,0]=3 4192 B14R1.1035 CC(NCCC#N)c1ccncc1Br b17b8010d56dfa4c320f939a5a07b055 [0,1,0,0,1,0|1,0,0]=3 4193 B14R1.1035 CC(NCCC#N)c1ccncc1Cl b3a23b154f5835fdad319dad1a021678 [0,1,0,0,1,0|1,0,0]=3 4194 B14R1.1035 CC(NCCC#N)c1ccncc1F a90c19f7306a371839b23ff58f0adfe5 [0,1,0,0,1,0|1,0,0]=3 4195 B14R1.1035 CC(NCCC#N)c1ncccc1Br 0db6b146cc15e851e3eda62381008945 [0,1,0,0,1,0|1,0,0]=3 4196 B14R1.1035 CC(NCCC=O)c1ccccc1Br 32311542bf80dc37f0c868cb48f12ddc [0,1,0,0,1,0|1,0,1]=4 4197 B14R1.1035 CC(NCCC=O)c1ccccc1Cl 543d298ae9a25bf2d289665ae5bb1d3d [0,1,0,0,1,0|1,0,1]=4 4198 B14R1.1035 CC(NCCC=O)c1ccccc1F ac75e5f25cfc8003c39a1c15453661b7 [0,1,0,0,1,0|1,0,1]=4 4199 B14R1.1035 CC(NCCC=O)c1ccccc1I fa81bd7452ab28fcd23cc17307e523dc [0,1,0,0,1,0|1,0,1]=4 4200 B14R1.1035 CC(NCCCCl)c1ccccc1F 6262bedd83616af03f91ba302df283a3 [0,1,0,0,1,0|1,0,1]=4 4201 B14R1.1035 CC(NCCCF)c1ccccc1Cl 1d28cd4c31334ab3047bb841a1a1864d [0,1,0,0,1,0|1,0,1]=4 4202 B14R1.1035 CC(NCCCF)c1ccccc1F 26a6d8ea2f219a46d83b3256ab8cdc7e [0,1,0,0,1,0|1,0,1]=4 4203 B14R1.1035 CC(NCCCF)c1ccccc1I 7f628cdda51c118415b72e5eb5658925 [0,1,0,0,1,0|1,0,1]=4 4204 B14R1.1035 CC(NCCCO)c1ccccc1Cl 3438091ed8b085bf575b8fd2320251be [0,1,0,0,1,0|1,0,1]=4 4205 B14R1.1035 CC(NCCCO)c1ccccc1F 0592a540ef0bc1089cc42c1911f30d00 [0,1,0,0,1,0|1,0,1]=4 4206 B14R1.1035 CC(NCCCO)c1ccccc1I e8f0d754010403ceee7d1b0149c2ce1a [0,1,0,0,1,0|1,0,1]=4 4207 B14R1.1035 CC(NCCCS)c1ccccc1Cl f32ab021d790ff65b39b3c3cb61cee81 [0,1,0,0,1,0|1,0,1]=4 4208 B14R1.1035 CC(NCCCS)c1ccccc1F 4f962d8a35923bda58912c1a7d4d5151 [0,1,0,0,1,0|1,0,1]=4 4209 B14R1.1035 CC(NCCCS)c1ccccc1I 8f61d40117b83b6edbf467ecc9abfb38 [0,1,0,0,1,0|1,0,1]=4 4210 B14R1.1035 CC(NCCON)c1ccccc1F 35479024968efd4970deca9e1a424507 [0,1,0,0,1,0|1,0,1]=4 4211 B14R1.1035 CC(NCSC#N)c1ccncc1Br 33581c6111d4646b23c068d36f880bcb [0,1,0,0,1,0|2,0,0]=4 4212 B14R1.1035 CC(NCSC#N)c1ccncc1Cl 68d7c6804c8190c47429dc5340435115 [0,1,0,0,1,0|2,0,0]=4 4213 B14R1.1035 CC(OCCC#N)c1ccccc1Cl 118e6e44ff1bba06e8251e3dc3007ab8 [0,1,0,0,1,0|1,0,0]=3 4214 B14R1.1035 CC(OCCC#N)c1ccccc1F 3b1a219e513b667a869f4b2da9e5a799 [0,1,0,0,1,0|1,0,0]=3 4215 B14R1.1035 CC(OCCC#N)c1ccccc1I 59635367fc3e5d01de4f12983e998327 [0,1,0,0,1,0|1,0,0]=3 4216 B14R1.1035 CC(OCCC#N)c1cccnc1Br ddfbf6990cf52ce8c3399f5ffdb80668 [0,1,0,0,1,0|2,0,0]=4 4217 B14R1.1035 CC(OCCC#N)c1cccnc1Cl ee70558cb8e3165124325c0ab0e27e11 [0,1,0,0,1,0|2,0,0]=4 4218 B14R1.1035 CC(OCCC#N)c1cccnc1F 7a194491ada90c1806369bce4de3de0d [0,1,0,0,1,0|2,0,0]=4 4219 B14R1.1035 CC(OCCC#N)c1ccncc1Cl 5dbe037732fc4a50cbcc76bd3f41c7bb [0,1,0,0,1,0|2,0,0]=4 4220 B14R1.1035 CC(OCCC#N)c1ccncc1F 361d4f04e170e2d5a78e4ef9c3560a09 [0,1,0,0,1,0|2,0,0]=4 4221 B14R1.1035 CC(OCCC#N)c1ncccc1Cl 026a0920bc9f601e0d7cb5b9e5c19764 [0,1,0,0,1,0|2,0,0]=4 4222 B14R1.1035 CC(OCCC#N)c1ncccc1F 900b7afcf3e85e5ecc2a520a0d2b689e [0,1,0,0,1,0|2,0,0]=4 4223 B14R1.1035 CC(OCSC#N)c1ccccc1Cl a9c4a9e3fc01210ccb3e526d4cea5e5c [0,1,0,0,1,0|2,0,0]=4 4224 B14R1.1035 CCCCNC(C)c1ccccc1C 65ab00b36bf72671f6fed63f24d58530 [0,1,0,0,1,0|1,0,1]=4 4225 B14R1.1035 CCCCNC(C)c1ccccc1Cl 924d100a3ad00eaf930c5ec7f04cc4b0 [0,1,0,0,1,0|1,0,1]=4 4226 B14R1.1035 CCCCNC(C)c1ccccc1F 8a1cbcc55b6f9f5215d3ea97e323fe10 [0,1,0,0,1,0|1,0,1]=4 4227 B14R1.1035 CCCCNC(C)c1ccccc1I 25f7fea3ea6b46ce0def5ac0c33abab0 [0,1,0,0,1,0|1,0,1]=4 4228 B14R1.1035 CCCCN[C@@H](C)c1ccccc1C d3fd38bb1d444df7f59bb14be4df2383 [0,1,0,0,1,0|1,0,1]=4 4229 B14R1.1035 CCCCN[C@@H](C)c1ccccc1Cl 1a66c2999e136bf8ad92e11244a3f4f2 [0,1,0,0,1,0|1,0,1]=4 4230 B14R1.1035 CCCCN[C@@H](C)c1ccccc1F 70bd818f8964cad204bd9e1f121453b2 [0,1,0,0,1,0|1,0,1]=4 4231 B14R1.1035 CCCCN[C@H](C)c1ccccc1C 490f5fc0e2667a4c384e2d1b76326a2b [0,1,0,0,1,0|1,0,1]=4 4232 B14R1.1035 CCCCN[C@H](C)c1ccccc1Cl 248a891c01cfdc3b3efae9c761a8ed21 [0,1,0,0,1,0|1,0,1]=4 4233 B14R1.1035 CCCCN[C@H](C)c1ccccc1F 6047940c481995e1a2e098539ec7edaa [0,1,0,0,1,0|1,0,1]=4 4234 B14R1.1035 CN(CCCC#N)c1ccccc1Cl 477e75386b29e7c4e68cb6bf0b163bd2 [0,1,0,0,1,0|2,0,0]=4 4235 B14R1.1035 CN(CCCC#N)c1ccccc1F f3a43114074d86f63af44a99f9cfec45 [0,1,0,0,1,0|2,0,0]=4 4236 B14R1.1035 COCCNC(C)c1ccccc1Br 83e7137ca01f32ccce456c812eec9f80 [0,1,0,0,1,0|2,0,0]=4 4237 B14R1.1035 COCCNC(C)c1ccccc1C 2adf61031580672fab814058560d6120 [0,1,0,0,1,0|2,0,0]=4 4238 B14R1.1035 COCCNC(C)c1ccccc1Cl 72abe04c554de0c5d558f93bfeea5cf5 [0,1,0,0,1,0|2,0,0]=4 4239 B14R1.1035 COCCNC(C)c1ccccc1F 77d717a2edc307bc09f6936c0f7a9f67 [0,1,0,0,1,0|2,0,0]=4 4240 B14R1.1035 COCCNC(C)c1ccccc1I 82b4d862c207b81dbb7f5ea7a3aa492e [0,1,0,0,1,0|2,0,0]=4 4241 B14R1.1035 COCCN[C@@H](C)c1ccccc1Br 90dbab2735694cdf945c0f2df990b6ab [0,1,0,0,1,0|2,0,0]=4 4242 B14R1.1035 COCCN[C@@H](C)c1ccccc1C 3f986aec129bc85bceea58d0490cd340 [0,1,0,0,1,0|2,0,0]=4 4243 B14R1.1035 COCCN[C@@H](C)c1ccccc1Cl c5dd2e015c8cae7f99ec6c56806589da [0,1,0,0,1,0|2,0,0]=4 4244 B14R1.1035 COCCN[C@@H](C)c1ccccc1F 6dd899ab4158dada7bead0fb5483f50f [0,1,0,0,1,0|2,0,0]=4 4245 B14R1.1035 COCCN[C@H](C)c1ccccc1Br febf722d96b97dfeea12758f95a8fb38 [0,1,0,0,1,0|2,0,0]=4 4246 B14R1.1035 COCCN[C@H](C)c1ccccc1C 5278bcfcefced4c85f88c85539f4bc9e [0,1,0,0,1,0|2,0,0]=4 4247 B14R1.1035 COCCN[C@H](C)c1ccccc1Cl 0b683561e812abcaa6ccf9d2a9638ad1 [0,1,0,0,1,0|2,0,0]=4 4248 B14R1.1035 COCCN[C@H](C)c1ccccc1F ae68807c51713690b2c0a6c873c72901 [0,1,0,0,1,0|2,0,0]=4 4249 B14R1.1035 CSCCNC(C)c1ccccc1Br 7b7e0ae27f3897542310c3c791842ab7 [0,1,0,0,1,0|2,0,0]=4 4250 B14R1.1035 CSCCNC(C)c1ccccc1C db78dfa943319f8b352711f328c452da [0,1,0,0,1,0|2,0,0]=4 4251 B14R1.1035 CSCCNC(C)c1ccccc1Cl 24231ace445404728610a894cc3f651b [0,1,0,0,1,0|2,0,0]=4 4252 B14R1.1035 CSCCNC(C)c1ccccc1F b79a285690b6160333bb8a62ccb530b2 [0,1,0,0,1,0|2,0,0]=4 4253 B14R1.1035 CSCCNC(C)c1ccccc1I 78726999673b9416b5a8eaee724a341d [0,1,0,0,1,0|2,0,0]=4 4254 B14R1.1035 CSCCN[C@@H](C)c1ccccc1Br 0aaf993e84b479baaa547ec11a242a6c [0,1,0,0,1,0|2,0,0]=4 4255 B14R1.1035 CSCCN[C@@H](C)c1ccccc1C f255dc6b6a687c27ab6ed487019c6462 [0,1,0,0,1,0|2,0,0]=4 4256 B14R1.1035 CSCCN[C@@H](C)c1ccccc1Cl b3b57c8c82fbc5348d1b498f9796a049 [0,1,0,0,1,0|2,0,0]=4 4257 B14R1.1035 CSCCN[C@@H](C)c1ccccc1F 70288a897e40ea0ddfbb9567f5be6f81 [0,1,0,0,1,0|2,0,0]=4 4258 B14R1.1035 CSCCN[C@H](C)c1ccccc1Br 0ba5540c5a4b9231dd565beaabb2e14e [0,1,0,0,1,0|2,0,0]=4 4259 B14R1.1035 CSCCN[C@H](C)c1ccccc1C e2f0c86a492b7abf95506cf68e01ecac [0,1,0,0,1,0|2,0,0]=4 4260 B14R1.1035 CSCCN[C@H](C)c1ccccc1Cl 42784d04c7251fabac503cf4f3d25830 [0,1,0,0,1,0|2,0,0]=4 4261 B14R1.1035 CSCCN[C@H](C)c1ccccc1F 00c7ab96a11bd097412c5788d50f38d6 [0,1,0,0,1,0|2,0,0]=4 4262 B14R1.1035 C[C@@H](NCCC#N)c1ccccc1Cl 5bb25718f30b5c7739ad3b33ea05c7c7 [0,1,0,0,1,0|0,0,0]=2 4263 B14R1.1035 C[C@@H](NCCC#N)c1ccccc1F de619e287a1b427b8c0c223d0e28bc43 [0,1,0,0,1,0|0,0,0]=2 4264 B14R1.1035 C[C@@H](NCCC=O)c1ccccc1Br 1829e7e04bf0034607d65f33a2cd8d5d [0,1,0,0,1,0|1,0,1]=4 4265 B14R1.1035 C[C@@H](NCCC=O)c1ccccc1Cl c32b7bc0ea5505061739789de3fcd057 [0,1,0,0,1,0|1,0,1]=4 4266 B14R1.1035 C[C@@H](NCCC=O)c1ccccc1F a25994a2acdf0227887f3ef935b4a27b [0,1,0,0,1,0|1,0,1]=4 4267 B14R1.1035 C[C@@H](NCCCF)c1ccccc1Cl fa59af5e03d3e8e97b21605d2869daad [0,1,0,0,1,0|1,0,1]=4 4268 B14R1.1035 C[C@@H](NCCCF)c1ccccc1F 75c151677d11916c16bb30ec7f044dc5 [0,1,0,0,1,0|1,0,1]=4 4269 B14R1.1035 C[C@@H](NCCCO)c1ccccc1Cl f6c5b38ac0223469c30c7b21b9b5c6f0 [0,1,0,0,1,0|1,0,1]=4 4270 B14R1.1035 C[C@@H](NCCCO)c1ccccc1F 2c145d7489c7148147d5ec8c790b37ab [0,1,0,0,1,0|1,0,1]=4 4271 B14R1.1035 C[C@@H](NCCCS)c1ccccc1Cl 8d8aa1d6504eccae1c52843f032d4fb5 [0,1,0,0,1,0|1,0,1]=4 4272 B14R1.1035 C[C@@H](NCCCS)c1ccccc1F 2cdd1b7db46a82af125fb7314dde7775 [0,1,0,0,1,0|1,0,1]=4 4273 B14R1.1035 C[C@@H](OCCC#N)c1ccccc1Cl 9b2dfcd2611dbf0f62822da7fbc3f2b7 [0,1,0,0,1,0|1,0,0]=3 4274 B14R1.1035 C[C@@H](OCCC#N)c1ccccc1F 762179cede7b01eb6b926f1d35cbe0ea [0,1,0,0,1,0|1,0,0]=3 4275 B14R1.1035 C[C@@H](OCCC#N)c1cccnc1Cl 3565925fb042be6efa5c1a8f21e9f6db [0,1,0,0,1,0|2,0,0]=4 4276 B14R1.1035 C[C@@H](OCCC#N)c1cccnc1F cb2cf3b2c2e18798ed3b0d8893d7902e [0,1,0,0,1,0|2,0,0]=4 4277 B14R1.1035 C[C@@H](OCCC#N)c1ncccc1F b64911e6a6c99e08d35a608668b5f0cd [0,1,0,0,1,0|2,0,0]=4 4278 B14R1.1035 C[C@@H](OCSC#N)c1ccccc1Cl 316405dab08853bbda6da15919672062 [0,1,0,0,1,0|2,0,0]=4 4279 B14R1.1035 C[C@H](NCCC#N)c1ccccc1Cl 79663033d5bd318817550db056caf10c [0,1,0,0,1,0|0,0,0]=2 4280 B14R1.1035 C[C@H](NCCC#N)c1ccccc1F 9848cb7cffc708b3d33184a422dd250e [0,1,0,0,1,0|0,0,0]=2 4281 B14R1.1035 C[C@H](NCCC#N)c1ncccc1Br a38addb194824b5dc92d884fb6e818b8 [0,1,0,0,1,0|1,0,0]=3 4282 B14R1.1035 C[C@H](NCCC=O)c1ccccc1Br e2d70a64d297dc194b6a819d9d9d942e [0,1,0,0,1,0|1,0,1]=4 4283 B14R1.1035 C[C@H](NCCC=O)c1ccccc1Cl 011e6c37bc6574c7ffe64963456f2538 [0,1,0,0,1,0|1,0,1]=4 4284 B14R1.1035 C[C@H](NCCC=O)c1ccccc1F eb4a5409a3a6a318ece82a7d7617515d [0,1,0,0,1,0|1,0,1]=4 4285 B14R1.1035 C[C@H](NCCCF)c1ccccc1Cl 1cf1e3e9a83ad4bf0dc391e44bc66ecf [0,1,0,0,1,0|1,0,1]=4 4286 B14R1.1035 C[C@H](NCCCF)c1ccccc1F ad12d387ba427e1869a2cc118c349403 [0,1,0,0,1,0|1,0,1]=4 4287 B14R1.1035 C[C@H](NCCCO)c1ccccc1Cl dc6b1327dc81bc293bea1ef25993ad4d [0,1,0,0,1,0|1,0,1]=4 4288 B14R1.1035 C[C@H](NCCCO)c1ccccc1F 9b3925df91cd9718a5d73c799cda50ca [0,1,0,0,1,0|1,0,1]=4 4289 B14R1.1035 C[C@H](NCCCS)c1ccccc1Cl 95ff7ffeb22c951147f113e99b7cfd3c [0,1,0,0,1,0|1,0,1]=4 4290 B14R1.1035 C[C@H](NCCCS)c1ccccc1F e08bfee84b1cedf9cfb4e6f936bf9740 [0,1,0,0,1,0|1,0,1]=4 4291 B14R1.1035 C[C@H](OCCC#N)c1ccccc1Cl 176dd14429eebdbcc712ce072eecc88e [0,1,0,0,1,0|1,0,0]=3 4292 B14R1.1035 C[C@H](OCCC#N)c1ccccc1F a380e1d035f9e6a34d4c14e1d290d60d [0,1,0,0,1,0|1,0,0]=3 4293 B14R1.1035 C[C@H](OCSC#N)c1ccccc1Cl af147ab53bdf17d2eb933dfdf11dedda [0,1,0,0,1,0|2,0,0]=4 4294 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 7b9255a3e773e33881a25132d590d308 [0,1,0,0,1,0|1,0,1]=4 4295 B14R1.1035 Cc1ccccc1C(C)NCCC#N 411634e2fa644d82b542f6f22170eb30 [0,1,0,0,1,0|0,0,0]=2 4296 B14R1.1035 Cc1ccccc1C(C)NCCC=O fbbaaca601d6dff9c7a15318534b4ed3 [0,1,0,0,1,0|1,0,1]=4 4297 B14R1.1035 Cc1ccccc1C(C)NCCCF d17b19f17305dfc3da19d91d372ad4dd [0,1,0,0,1,0|1,0,1]=4 4298 B14R1.1035 Cc1ccccc1C(C)NCCCO 0800c67bd562a748d9f688ff960dc3ca [0,1,0,0,1,0|1,0,1]=4 4299 B14R1.1035 Cc1ccccc1C(C)NCCCS 2a9c9e86c3f9bfdf84bae420dbcc28f9 [0,1,0,0,1,0|1,0,1]=4 4300 B14R1.1035 Cc1ccccc1C(C)OCCC#N 2dc5d2e4fe52739558a38105cdf7d933 [0,1,0,0,1,0|1,0,0]=3 4301 B14R1.1035 Cc1ccccc1N(C)CCCC#N 1a431e4b6234b3e5ec9651b9f4925016 [0,1,0,0,1,0|2,0,0]=4 4302 B14R1.1035 Cc1ccccc1[C@@H](C)NCCC#N 1e4f5e2f295beab48dfe8187171471e1 [0,1,0,0,1,0|0,0,0]=2 4303 B14R1.1035 Cc1ccccc1[C@@H](C)NCCC=O dbeb0b3abfaeb2b4cbd342458fa3486d [0,1,0,0,1,0|1,0,1]=4 4304 B14R1.1035 Cc1ccccc1[C@@H](C)NCCCF 9951df45526f692ba330625375b93330 [0,1,0,0,1,0|1,0,1]=4 4305 B14R1.1035 Cc1ccccc1[C@@H](C)NCCCO d591baa55930add9a62846ea26675449 [0,1,0,0,1,0|1,0,1]=4 4306 B14R1.1035 Cc1ccccc1[C@@H](C)NCCCS 261090fd4edd3d2e317a1b8a32b18059 [0,1,0,0,1,0|1,0,1]=4 4307 B14R1.1035 Cc1ccccc1[C@H](C)NCCC#N 6e7e5907c710cd0bcb19901d88e28dde [0,1,0,0,1,0|0,0,0]=2 4308 B14R1.1035 Cc1ccccc1[C@H](C)NCCC=O a13412c357f2fab24d2a25fece96e016 [0,1,0,0,1,0|1,0,1]=4 4309 B14R1.1035 Cc1ccccc1[C@H](C)NCCCF eba64fca61304a3838913303b63e5b3e [0,1,0,0,1,0|1,0,1]=4 4310 B14R1.1035 Cc1ccccc1[C@H](C)NCCCO b50897c1ab563f13913e81125864cadb [0,1,0,0,1,0|1,0,1]=4 4311 B14R1.1035 Cc1ccccc1[C@H](C)NCCCS 49110204789a9426f3f3cf25b2a20fa0 [0,1,0,0,1,0|1,0,1]=4 4312 B14R1.1035 Cc1ccccc1[C@H](C)OCCC#N ba5ed115bfedc3763029a8f335b9658a [0,1,0,0,1,0|1,0,0]=3 4313 B14R1.1035 Cc1cccnc1C(C)NCCC#N 4f4592c88f5b55b52958730424333883 [0,1,0,0,1,0|1,0,0]=3 4314 B14R1.1035 Cc1cccnc1C(C)NCSC#N c519e775e6eb0e8a95d9cb1eaae77b2b [0,1,0,0,1,0|2,0,0]=4 4315 B14R1.1035 Cc1cccnc1C(C)OCCC#N f878bd7552ee6f261652c646b5098671 [0,1,0,0,1,0|2,0,0]=4 4316 B14R1.1035 Cc1cccnc1[C@@H](C)NCCC#N 5d9b4e86e952fe61f50c43b402ffb3aa [0,1,0,0,1,0|1,0,0]=3 4317 B14R1.1035 Cc1cccnc1[C@@H](C)NCSC#N f8177288a367dc2e72e362990822d6d2 [0,1,0,0,1,0|2,0,0]=4 4318 B14R1.1035 Cc1cccnc1[C@@H](C)OCCC#N 3fbf3e9b4d30104f27053bec02595ff2 [0,1,0,0,1,0|2,0,0]=4 4319 B14R1.1035 Cc1cnccc1C(C)OCCC#N deb9dcdfa3d88b9d25fddb5e9573b769 [0,1,0,0,1,0|2,0,0]=4 4320 B14R1.1035 Cc1ncccc1C(C)NCCC#N 817fb8a4a33552684d150533fa8cca0a [0,1,0,0,1,0|1,0,0]=3 4321 B14R1.1035 Cc1ncccc1C(C)OCCC#N 63096366c5182b7fc8c7121f7e5b717a [0,1,0,0,1,0|2,0,0]=4 4322 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 5fbe1f753813b25febb90e1115706555 [0,1,0,0,1,0|1,0,1]=4 4323 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl c406f7742fcd81b04fda1e18272ad774 [0,1,0,0,1,0|1,0,1]=4 4324 B14R1.1035 N#CCCNC(=O)c1ccccc1F 5d1590596300a2529c757af5caff23cb [0,1,0,0,1,0|1,0,1]=4 4325 B14R1.1035 N#CCCNC(=O)c1ccccc1I dbfe70b7b78f598a1dc0285fcb99be01 [0,1,0,0,1,0|1,0,1]=4 4326 B14R1.1035 N#CCCNC(=O)c1ccccc1O 6f45b7b2780af46164b8315a9309b20f [0,1,0,0,1,0|1,0,1]=4 4327 B14R1.1035 N#CCCNC(=O)c1ccccc1S 5b688e5e81754d187b9912424b682abf [0,1,0,0,1,0|1,0,1]=4 4328 B14R1.92 C#CCCCNC(C)Cc1ccc[nH]1 316cb17b9c1b9b41ccc8e2666f940633 [0,1,0,0,1,0|2,0,0]=4 4329 B14R1.92 C#CCCCNC(C)Cc1ccco1 20600ded1356f116f1a8ad5c2a8f8341 [0,1,0,0,1,0|2,0,0]=4 4330 B14R1.92 C#CCCCNC(C)Cc1ccsc1 e3de31a7ca5d3d1f832161d8e5beeeca [0,1,0,0,1,0|2,0,0]=4 4331 B14R1.92 CC(CNCCC#N)Cn1cccn1 1f844348382d8d64e8a578d6184fc00f [0,1,0,0,1,0|2,0,0]=4 4332 B14R1.92 CC(Cc1c[nH]cn1)NCCCC#N 56493cc8d027ebca2afa58366a603d01 [0,1,0,0,1,0|2,0,0]=4 4333 B14R1.92 CC(Cc1ccc[nH]1)NCC=CC#N 73991bde8a1bc70b7137250ddd4aee08 [0,1,0,0,1,0|1,0,1]=4 4334 B14R1.92 CC(Cc1ccc[nH]1)NCCCC#N 6544be5881a0147bf01e6b54dc0edfaa [0,1,0,0,1,0|1,0,0]=3 4335 B14R1.92 CC(Cc1ccco1)NCC=CC#N 07c966a8eb0592243c4999b447360cf8 [0,1,0,0,1,0|1,0,1]=4 4336 B14R1.92 CC(Cc1ccco1)NCCCC#N abe83c57ac7adf79429dee2ebc849777 [0,1,0,0,1,0|1,0,0]=3 4337 B14R1.92 CC(Cc1ccco1)OCCCC#N a68fffa3c686abc8f4b5eb9aacf9147a [0,1,0,0,1,0|2,0,0]=4 4338 B14R1.92 CC(Cc1ccsc1)NCC=CC#N f4c231dd21d6e3e62291e69e42c63bd4 [0,1,0,0,1,0|1,0,1]=4 4339 B14R1.92 CC(Cc1ccsc1)NCCCC#N fb51e48770778bbb545842eebdb40fac [0,1,0,0,1,0|1,0,0]=3 4340 B14R1.92 CC(Cc1ccsc1)OCCCC#N c20fa11f556d60a79181de2f75c4eba1 [0,1,0,0,1,0|2,0,0]=4 4341 B14R1.92 CC(Cn1cccn1)NCCCC#N a487e47a5298072be459dd2fcc19372b [0,1,0,0,1,0|2,0,0]=4 4342 B14R1.92 C[C@@H](Cc1c[nH]cn1)NCCCC#N 46ae5fb802429559b398dce448693761 [0,1,0,0,1,0|2,0,0]=4 4343 B14R1.92 C[C@H](Cc1c[nH]cn1)NCCCC#N fec396aa12bfc4995256ade3e8f10591 [0,1,0,0,1,0|2,0,0]=4 4344 B14R1.157 CC(Cc1cn(cn1)C)NCCC#N 1e29ebd2771111bec56aa0cd7ffacc85 [0,1,0,0,1,0|2,0,0]=4 4345 B14R1.157 C[C@@H](Cc1cn(cn1)C)NCCC#N 4b0545f35b86659c96c7236f71d7b0d7 [0,1,0,0,1,0|2,0,0]=4 4346 B14R1.157 C[C@H](Cc1cn(cn1)C)NCCC#N c13a305272400363904eef65c1e68327 [0,1,0,0,1,0|2,0,0]=4 4347 B14R1.157 Cc1cc(n[nH]1)CC(C)NCCC#N b9f4834a54e67166e04fa3f8530cc6c8 [0,1,0,0,1,0|2,0,0]=4 4348 B14R1.157 Cc1cc(on1)CC(C)NCCC#N 3fae08914ddc820925c9b7a1446597a4 [0,1,0,0,1,0|2,0,0]=4 4349 B14R1.157 Cc1ccn(n1)CC(C)NCCC#N eb54c3a059f8d1d42b031fb78e28ecd5 [0,1,0,0,1,0|2,0,0]=4 4350 B14R1.157 Cc1cnn(c1)CC(C)NCCC#N 4d2221fe2ef844e5a6fad85d7b01ceb4 [0,1,0,0,1,0|2,0,0]=4 4351 B14R1.621 CC(CC#N)NC(C)Cc1c[nH]cn1 c069ee07f3facdd3c1771f49f1f544e9 [0,1,0,0,1,0|2,0,0]=4 4352 B14R1.621 CC(CC#N)NC(C)Cc1ccc[nH]1 268032a5c28f8fc56ff9474acc812f7a [0,1,0,0,1,0|1,0,0]=3 4353 B14R1.621 CC(CC#N)NC(C)Cc1ccsc1 aac8c8ca17f973f36f4a78cc1c0147b4 [0,1,0,0,1,0|1,0,0]=3 4354 B14R1.621 CC(CC#N)NC(C)Cn1cccn1 d7e86694af6f41d299332ec8856a7eb3 [0,1,0,0,1,0|2,0,0]=4 4355 B14R1.621 CC(CC#N)N[C@@H](C)Cc1c[nH]cn1 55ec6614e18d25e6bf07989a0e047a29 [0,1,0,0,1,0|2,0,0]=4 4356 B14R1.621 CC(CC#N)N[C@H](C)Cc1c[nH]cn1 5cb45c306053b459783691b8febd44b0 [0,1,0,0,1,0|2,0,0]=4 4357 B14R1.621 CC(CC#N)OC(C)Cc1ccsc1 b5a68fa1049bb7d468c5716239cfda3a [0,1,0,0,1,0|2,0,0]=4 4358 B14R1.621 CC(Cc1ccco1)NC(=O)CC#N 61ef2dc7522ad63a5b44c984a81c4820 [0,1,0,0,1,0|1,0,1]=4 4359 B14R1.621 CC(Cc1ccsc1)NC(=O)CC#N c1491ff7362453e060e9ff74ad729616 [0,1,0,0,1,0|1,0,1]=4 4360 B14R1.731 C=C(C#N)CNC(C)Cc1ccc[nH]1 33dacd23aea18b2853fa49325afab76f [0,1,0,0,1,0|1,0,1]=4 4361 B14R1.731 C=C(C#N)CNC(C)Cc1ccco1 bd8d6b3a0773e7752491c9ca2c8768ae [0,1,0,0,1,0|1,0,1]=4 4362 B14R1.731 C=C(C#N)CNC(C)Cc1ccsc1 6a2c4bc5e4095ba7e11ed71c74b343b6 [0,1,0,0,1,0|1,0,1]=4 4363 B14R1.731 CC(C#N)CNC(C)Cc1c[nH]cn1 f4ceaeaf025cd2796d84fa78d3de331f [0,1,0,0,1,0|2,0,0]=4 4364 B14R1.731 CC(C#N)CNC(C)Cc1ccc[nH]1 b6e5a5e7583d412840adff7def21fa6e [0,1,0,0,1,0|1,0,0]=3 4365 B14R1.731 CC(C#N)CNC(C)Cc1ccsc1 e2713dc0e518908ba701c8f18dae8ded [0,1,0,0,1,0|1,0,0]=3 4366 B14R1.731 CC(C#N)CNC(C)Cn1cccn1 73f1785d5abc81c70c10d090db574bf3 [0,1,0,0,1,0|2,0,0]=4 4367 B14R1.731 CC(C#N)CN[C@@H](C)Cc1c[nH]cn1 78d07d7031479e1efd6c89b62a914ff0 [0,1,0,0,1,0|2,0,0]=4 4368 B14R1.731 CC(C#N)CN[C@H](C)Cc1c[nH]cn1 4a2e7f759e9808e1550a31a906c067fc [0,1,0,0,1,0|2,0,0]=4 4369 B14R1.731 CC(C#N)COC(C)Cc1ccco1 9b3357b917af729d6a8f508a9c1bcc88 [0,1,0,0,1,0|2,0,0]=4 4370 B14R1.731 CC(C#N)COC(C)Cc1ccsc1 ea630e9fc7ca7d3f090edfc4cef6380d [0,1,0,0,1,0|2,0,0]=4 4371 B14R1.1047 CC(Cc1ccnn1C)NCCC#N c88a93f646588f8ba6c2d57be1431fda [0,1,0,0,1,0|2,0,0]=4 4372 B14R1.2400 CC(C)(Cn1ccnc1)NCCC#N 475323b5eb3b2dc8941ca2af0e423c84 [0,1,0,0,1,0|2,0,0]=4 4373 B16R1.35 CC(CC(=O)NCCC#N)c1ccccc1 ab4a07c9a0a886b95c266ca8d2f6cba3 [0,1,0,0,0,1|1,0,1]=4 4374 B16R1.35 CC(NC(=O)NCCC#N)c1ccccc1 0575cb816cc8e127d4fe2c477ac2fec5 [0,1,0,0,0,1|1,0,1]=4 4375 B16R1.35 CC(NC(=S)NCCC#N)c1ccccc1 52541b56fee710775dab2e72694870f0 [0,1,0,0,0,1|1,0,1]=4 4376 B16R1.35 CN(CC(=O)NCCC#N)c1ccccc1 7e9d1f42e4449db06729b14c3cfc028c [0,1,0,0,0,1|1,0,1]=4 4377 B16R1.35 CN(CCCC#N)CC(O)c1ccccc1 725b1e995bb0f137cdf0da4c9c733535 [0,1,0,0,0,1|2,0,0]=4 4378 B16R1.35 CN(CCCC#N)C[C@H](O)c1ccccc1 ad0d2a019af0b3db2b0b863d3dda3277 [0,1,0,0,0,1|2,0,0]=4 4379 B16R1.35 C[C@@H](CC(=O)NCCC#N)c1ccccc1 8eadf35ac106b5b018481d15a1c8e2e2 [0,1,0,0,0,1|1,0,1]=4 4380 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 07f710c8c23842a8afc50890fd0bede3 [0,1,0,0,0,1|1,0,1]=4 4381 B16R1.35 C[C@@H](NC(=S)NCCC#N)c1ccccc1 73f7ed9c26d03e1598776922f7fa200a [0,1,0,0,0,1|1,0,1]=4 4382 B16R1.35 C[C@H](CC(=O)NCCC#N)c1ccccc1 6c57a26fa31b0ea0c7f40d58fcc9d9a9 [0,1,0,0,0,1|1,0,1]=4 4383 B16R1.35 C[C@H](NC(=O)NCCC#N)c1ccccc1 6f7f471b1a11ed86c7a95c391e243b1f [0,1,0,0,0,1|1,0,1]=4 4384 B16R1.35 C[C@H](NC(=S)NCCC#N)c1ccccc1 23129994c4349f3e8e7f42616dd5d7d9 [0,1,0,0,0,1|1,0,1]=4 4385 B16R1.35 N#CCCNC(=O)CC(O)c1ccccc1 c8bca83b0188c666000df822a3ddd017 [0,1,0,0,0,1|1,0,1]=4 4386 B16R1.35 N#CCCNC(=O)C[C@@H](O)c1ccccc1 c7a446333cf0fe43093630a861b26a1a [0,1,0,0,0,1|1,0,1]=4 4387 B16R1.35 N#CCCNC(=O)C[C@H](O)c1ccccc1 81a439a9b8da9483f28467caee591637 [0,1,0,0,0,1|1,0,1]=4 4388 B16R1.51 C#CCCNC(C)CCc1ccc(cc1)Br bb1c7bb6ea384ae21369a4f0877daa65 [0,1,0,0,0,1|1,0,0]=3 4389 B16R1.51 C#CCCNC(C)COc1ccc(cc1)Br 4abf16bc95de5b56e36ab870fb449e10 [0,1,0,0,0,1|1,0,0]=3 4390 B16R1.51 C#CCCNC(C)COc1ccc(cc1)C 335353291790093dbcbaa954a3765d70 [0,1,0,0,0,1|1,0,0]=3 4391 B16R1.51 C#CCCNC(C)COc1ccc(cc1)Cl 6ce786497742db15693f1141c804c127 [0,1,0,0,0,1|1,0,0]=3 4392 B16R1.51 C#CCCNC(C)COc1ccc(cc1)F 6fbc561fd7ddcba0345da1280495785d [0,1,0,0,0,1|1,0,0]=3 4393 B16R1.51 C#CCCOC(C)CCc1ccc(cc1)Br f3fee1ef025ceae6a7627428ff2c4ae4 [0,1,0,0,0,1|2,0,0]=4 4394 B16R1.51 C#CCCOC(C)COc1ccc(cc1)C 3d80506b193a9ff0b36823151c705865 [0,1,0,0,0,1|2,0,0]=4 4395 B16R1.51 C#CCCOC(C)COc1ccc(cc1)Cl 55f73a6bd44d0db33493c731dfed2838 [0,1,0,0,0,1|2,0,0]=4 4396 B16R1.51 C#CCCO[C@H](C)CCc1ccc(cc1)Cl 88904a41105674bdeeac2910aa593796 [0,1,0,0,0,1|2,0,0]=4 4397 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)Br 3990b1783d6b7700301013689603ee7c [0,1,0,0,0,1|1,0,1]=4 4398 B16R1.51 C=CCCNC(C)COc1ccc(cc1)Br 01c5281071ab654987a6dbb265c5b478 [0,1,0,0,0,1|1,0,1]=4 4399 B16R1.51 C=CCCNC(C)COc1ccc(cc1)C 00fc5b9d05bb0bbca7688d9a99f9213e [0,1,0,0,0,1|1,0,1]=4 4400 B16R1.51 C=CCCNC(C)COc1ccc(cc1)Cl 5d5a3c0f8aa3822462993a7a61655f85 [0,1,0,0,0,1|1,0,1]=4 4401 B16R1.51 C=CCCNC(C)COc1ccc(cc1)F 460610312c6c0eaddf0d59db6b245cc6 [0,1,0,0,0,1|1,0,1]=4 4402 B16R1.51 CC(/C=C/c1ccc(cc1)Br)OCCC#N 3ca7d497ac04e72012cd47493fba5013 [0,1,0,0,0,1|1,0,1]=4 4403 B16R1.51 CC(C#Cc1ccc(cc1)Br)OCCC#N ce4fbf45d00a176609222c62eff73a88 [0,1,0,0,0,1|1,0,1]=4 4404 B16R1.51 CC(CCc1ccc(cc1)Br)NCCC#N 86afc5b3d1b63a799a10a531c92e76df [0,1,0,0,0,1|0,0,0]=2 4405 B16R1.51 CC(CCc1ccc(cc1)Br)NCCC=O 7a6e566d98ab07dda79a09ae18635f67 [0,1,0,0,0,1|1,0,1]=4 4406 B16R1.51 CC(CCc1ccc(cc1)Br)NCCCF 97a04e2af8881b4034f8e4bb7cf05402 [0,1,0,0,0,1|1,0,1]=4 4407 B16R1.51 CC(CCc1ccc(cc1)Br)NCCCO c8c7ebcee07de2ce67adf0f6cceb3097 [0,1,0,0,0,1|1,0,1]=4 4408 B16R1.51 CC(CCc1ccc(cc1)Br)NCCCS 7267136e4f869360152a74935f222b97 [0,1,0,0,0,1|1,0,1]=4 4409 B16R1.51 CC(CCc1ccc(cc1)Br)NCSC#N 0f5d45d0e675d9110752db074f85e5de [0,1,0,0,0,1|1,0,0]=3 4410 B16R1.51 CC(CCc1ccc(cc1)Br)OCCC#N 9ee9e797c510607749969971ce7163b0 [0,1,0,0,0,1|1,0,0]=3 4411 B16R1.51 CC(COc1ccc(cc1)Br)NCCC#N d1d42cecdd95bffc4e81489c98e74f36 [0,1,0,0,0,1|0,0,0]=2 4412 B16R1.51 CC(COc1ccc(cc1)Br)NCCC=O eff397cf383a688eb7f37cbe58653c35 [0,1,0,0,0,1|1,0,1]=4 4413 B16R1.51 CC(COc1ccc(cc1)Br)NCCCF 703e94deb4d244926cea6df228bbb98b [0,1,0,0,0,1|1,0,1]=4 4414 B16R1.51 CC(COc1ccc(cc1)Br)NCCCO 52b91fe2245c0f8913bdc581f84e8f3a [0,1,0,0,0,1|1,0,1]=4 4415 B16R1.51 CC(COc1ccc(cc1)Br)NCCCS 0b9195eda4a53e168d049c993a20a4f5 [0,1,0,0,0,1|1,0,1]=4 4416 B16R1.51 CC(COc1ccc(cc1)Cl)NCCC#N 5ced2918603c0b494f07957e1b93188b [0,1,0,0,0,1|0,0,0]=2 4417 B16R1.51 CC(COc1ccc(cc1)Cl)NCCC=O cff79ce2544ab6edd7de9162d2c0a6e2 [0,1,0,0,0,1|1,0,1]=4 4418 B16R1.51 CC(COc1ccc(cc1)Cl)NCCCF 61cef1fa112fa61aceaf9085094ee4b1 [0,1,0,0,0,1|1,0,1]=4 4419 B16R1.51 CC(COc1ccc(cc1)Cl)NCCCO 6a043b2ff22b2ea090bb5a18d4849c5e [0,1,0,0,0,1|1,0,1]=4 4420 B16R1.51 CC(COc1ccc(cc1)Cl)NCCCS 6069b8c6c750c3f4f3557246e69e7357 [0,1,0,0,0,1|1,0,1]=4 4421 B16R1.51 CC(COc1ccc(cc1)Cl)OCCC#N 80b8b03372747e5dce5194defa47500c [0,1,0,0,0,1|1,0,0]=3 4422 B16R1.51 CC(COc1ccc(cc1)F)NCCC#N bdab4b3e2179f0558b445aef142760ec [0,1,0,0,0,1|0,0,0]=2 4423 B16R1.51 CC(COc1ccc(cc1)F)NCCC=O 8cb0017f4ef9b201d7b9d50e9f26cd88 [0,1,0,0,0,1|1,0,1]=4 4424 B16R1.51 CC(COc1ccc(cc1)F)NCCCF ad4f2b09d1a73983a78a63e49eec1018 [0,1,0,0,0,1|1,0,1]=4 4425 B16R1.51 CC(COc1ccc(cc1)F)NCCCO 6785ed0cd1fa444fef038805cac8926f [0,1,0,0,0,1|1,0,1]=4 4426 B16R1.51 CC(COc1ccc(cc1)F)NCCCS 0c1acc0890b806b1d55db39c727c408c [0,1,0,0,0,1|1,0,1]=4 4427 B16R1.51 CCCCNC(C)CCc1ccc(cc1)Br 2d38a8fbdaddfaaecaac45319e7f427a [0,1,0,0,0,1|1,0,1]=4 4428 B16R1.51 CCCCNC(C)COc1ccc(cc1)Br 567aaea3da1489a7a8066c87c238a7fd [0,1,0,0,0,1|1,0,1]=4 4429 B16R1.51 CCCCNC(C)COc1ccc(cc1)C d44af5f788824b8f999905ad5cdede86 [0,1,0,0,0,1|1,0,1]=4 4430 B16R1.51 CCCCNC(C)COc1ccc(cc1)Cl e37ca7e9efc70f210198730a3d801711 [0,1,0,0,0,1|1,0,1]=4 4431 B16R1.51 CCCCNC(C)COc1ccc(cc1)F fe97152a1905a5d83cc5e7c8d2df4325 [0,1,0,0,0,1|1,0,1]=4 4432 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)Br 64d8074e57cba77097285a5b88ef5203 [0,1,0,0,0,1|2,0,0]=4 4433 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)Cl 99396e2f728f00160f45c49a9e0f6c36 [0,1,0,0,0,1|2,0,0]=4 4434 B16R1.51 CN(CCCC#N)CCc1ccc(cc1)F adda3c8e08b8b84562ee5650b288efe0 [0,1,0,0,0,1|2,0,0]=4 4435 B16R1.51 COCCNC(C)CCc1ccc(cc1)Br f5a1fad7b2db0d29b9650bb05fe9a40a [0,1,0,0,0,1|2,0,0]=4 4436 B16R1.51 COCCNC(C)COc1ccc(cc1)Br 4b6e70cc62ba5a9ab131684120766030 [0,1,0,0,0,1|2,0,0]=4 4437 B16R1.51 COCCNC(C)COc1ccc(cc1)C 12148b08f9bda8816a447d3a47978a50 [0,1,0,0,0,1|2,0,0]=4 4438 B16R1.51 COCCNC(C)COc1ccc(cc1)Cl 102fc8a62b18c3b7c08bd4a216356c66 [0,1,0,0,0,1|2,0,0]=4 4439 B16R1.51 COCCNC(C)COc1ccc(cc1)F e6a46d4cba0e266761daca2d6a51d993 [0,1,0,0,0,1|2,0,0]=4 4440 B16R1.51 CSCCNC(C)CCc1ccc(cc1)Br d7ddc2840b60791ceb7ed1e3e7a04fa4 [0,1,0,0,0,1|2,0,0]=4 4441 B16R1.51 CSCCNC(C)COc1ccc(cc1)Br 6e66bec82feb3dde41cc6eff3677b11b [0,1,0,0,0,1|2,0,0]=4 4442 B16R1.51 CSCCNC(C)COc1ccc(cc1)C a92d7da9e3de7d2662de85857268531a [0,1,0,0,0,1|2,0,0]=4 4443 B16R1.51 CSCCNC(C)COc1ccc(cc1)Cl e74e68d266f3d5f72b9dcce85dd38691 [0,1,0,0,0,1|2,0,0]=4 4444 B16R1.51 CSCCNC(C)COc1ccc(cc1)F 5fe494190b6fdc6d3f846c2e90937064 [0,1,0,0,0,1|2,0,0]=4 4445 B16R1.51 C[C@H](CCc1ccc(cc1)Cl)OCCC#N c87073afc535137b226dab23f2c20cbe [0,1,0,0,0,1|1,0,0]=3 4446 B16R1.51 C[C@H](CCc1ccc(cc1)Cl)OCSC#N 0b7ac7d76770a5b9dc38294343e9f450 [0,1,0,0,0,1|2,0,0]=4 4447 B16R1.51 Cc1ccc(cc1)C#CC(C)OCCC#N 441ac456dd6879eb1da4938618b5614f [0,1,0,0,0,1|1,0,1]=4 4448 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCC#N edda88ba3aaa840f4411be0214ca0903 [0,1,0,0,0,1|1,0,1]=4 4449 B16R1.51 Cc1ccc(cc1)CCN(C)CCCC#N 7cfeb82c1c438bf13fdda112178ddb8d [0,1,0,0,0,1|2,0,0]=4 4450 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N c7997e88573d9da4274e83bd9311328f [0,1,0,0,0,1|1,0,1]=4 4451 B16R1.51 Cc1ccc(cc1)CNC(=S)NCCC#N e968865b7daa98356ccf4a5a9254caa2 [0,1,0,0,0,1|1,0,1]=4 4452 B16R1.51 Cc1ccc(cc1)NCC(=O)NCCC#N bb689be52b2164c1d904d6f52fe8ce76 [0,1,0,0,0,1|1,0,1]=4 4453 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCC#N 8cd545f425c370a2c5b788c4feca3f21 [0,1,0,0,0,1|1,0,1]=4 4454 B16R1.51 Cc1ccc(cc1)OCC(C)NCCC#N c62e9382ef8fcaf9853c129b943b7521 [0,1,0,0,0,1|0,0,0]=2 4455 B16R1.51 Cc1ccc(cc1)OCC(C)NCCC=O 3bf3ec59fe139427a729debf7f3b6ae0 [0,1,0,0,0,1|1,0,1]=4 4456 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCF c4855cfff0eb2f2a0fc9528b1755a121 [0,1,0,0,0,1|1,0,1]=4 4457 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCO 01bcb120bd72016d24cbc5648642e9d0 [0,1,0,0,0,1|1,0,1]=4 4458 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCS 64efb9efabfdfcd8d48ff7433266d453 [0,1,0,0,0,1|1,0,1]=4 4459 B16R1.51 Cc1ccc(cc1)OCC(C)NCSC#N 35ae6518b97f3f0455ecb52144f3a61c [0,1,0,0,0,1|1,0,0]=3 4460 B16R1.51 Cc1ccc(cc1)OCC(C)OCCC#N 515606e88f821f6655f5b9b20be84409 [0,1,0,0,0,1|1,0,0]=3 4461 B16R1.51 Cc1ccc(cc1)OCC(C)OCSC#N 2a9b6a18e87992a99279abe5a376c96d [0,1,0,0,0,1|2,0,0]=4 4462 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCC#N ad4ba3402aecc36df783b132dee9c4ef [0,1,0,0,0,1|1,0,1]=4 4463 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Br 7018777e630dd1514af7b3379fa5a654 [0,1,0,0,0,1|1,0,1]=4 4464 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Cl bf6b9d2430c9ce4a78f528502a7434c3 [0,1,0,0,0,1|1,0,1]=4 4465 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)F 60d952bf223cca20ecfa8e8acf109282 [0,1,0,0,0,1|1,0,1]=4 4466 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)I 70c20c67c3a7b4191d69543a01682ab4 [0,1,0,0,0,1|1,0,1]=4 4467 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)O dbea3579585386f038bd92a7e8351b76 [0,1,0,0,0,1|1,0,1]=4 4468 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)S c2933b50f811521d29d17b2d93fab801 [0,1,0,0,0,1|1,0,1]=4 4469 B16R1.51 N#CCCNC(=O)CNc1ccc(cc1)Br 78c516a05a9a6d774edad8a71703f203 [0,1,0,0,0,1|1,0,1]=4 4470 B16R1.51 N#CCCNC(=O)CNc1ccc(cc1)Cl f38602f11df9fda67c93b35507bbacb0 [0,1,0,0,0,1|1,0,1]=4 4471 B16R1.51 N#CCCNC(=O)CNc1ccc(cc1)F d49d5f5c305b0f9b2534e5c4ad820bb0 [0,1,0,0,0,1|1,0,1]=4 4472 B16R1.51 N#CCCNC(=O)CNc1ccc(cc1)I f07811d42ba6871c618cc679896ae3d0 [0,1,0,0,0,1|1,0,1]=4 4473 B16R1.51 N#CCCNC(=O)CNc1ccc(cc1)S 6bf8f25189bbed0aa142fc57224c1675 [0,1,0,0,0,1|1,0,1]=4 4474 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Br d824f46508df10058df3548f8e37691f [0,1,0,0,0,1|1,0,1]=4 4475 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)Cl 6b2e1f5708672e8d8e2764754b49cb16 [0,1,0,0,0,1|1,0,1]=4 4476 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F c95a830ce41df39c87dd116015e15cce [0,1,0,0,0,1|1,0,1]=4 4477 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)I d71666d3bee83e30ceec41ac913d3e01 [0,1,0,0,0,1|1,0,1]=4 4478 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)O 6c3e08020888d43da3b189691978623d [0,1,0,0,0,1|1,0,1]=4 4479 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)S dba9bc9b3bd654ad661523e358b480e4 [0,1,0,0,0,1|1,0,1]=4 4480 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Br 839d5e8035857d1732e39f7ac8536638 [0,1,0,0,0,1|1,0,1]=4 4481 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)Cl 3447e6aaae9e269aeb3d12399ca7a04e [0,1,0,0,0,1|1,0,1]=4 4482 B16R1.51 N#CCCNC(=O)CSc1ccc(cc1)F a9e3e5a969ac98a3a41d01ae2c067f11 [0,1,0,0,0,1|1,0,1]=4 4483 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Br 57b525e1af59dab1d6421dbc69201d03 [0,1,0,0,0,1|1,0,1]=4 4484 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)Cl 7c2ba469d4c9a73e9f780415f3c7bfde [0,1,0,0,0,1|1,0,1]=4 4485 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)F 99aae5f035663f4522098ffc6aa60b63 [0,1,0,0,0,1|1,0,1]=4 4486 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)I 739dd8643d859679c54a903c37ba1e97 [0,1,0,0,0,1|1,0,1]=4 4487 B16R1.51 N#CCCNC(=O)NCc1ccc(cc1)O c4c9276417794d15dd296107eedfb8a5 [0,1,0,0,0,1|1,0,1]=4 4488 B16R1.51 N#CCCNC(=S)NCc1ccc(cc1)Br cd0e3dcec1537669382dd43b67f4cb12 [0,1,0,0,0,1|1,0,1]=4 4489 B16R1.51 N#CCCNC(=S)NCc1ccc(cc1)Cl 4102a7d8a9dea80e4699384e1f3c391c [0,1,0,0,0,1|1,0,1]=4 4490 B16R1.51 N#CCCNC(=S)NCc1ccc(cc1)F 51e4e92213b98704ddcb70ae652016c3 [0,1,0,0,0,1|1,0,1]=4 4491 B16R1.51 N#CCCNC(=S)NCc1ccc(cc1)I a65e0e4d9afa5b56eb0c20d80ba47e2e [0,1,0,0,0,1|1,0,1]=4 4492 B16R1.51 N#CCCNC(=S)NCc1ccc(cc1)O b452ee60daf14bf9b661e63b74fdc945 [0,1,0,0,0,1|1,0,1]=4 4493 B16R1.52 C#CCCNC(C)COc1cccc(c1)Br d97f6462f878d352cbc44c962fdd897f [0,1,0,0,0,1|1,0,0]=3 4494 B16R1.52 C#CCCOC(C)COc1cccc(c1)C 90032190c2970c0845df416a399d9d35 [0,1,0,0,0,1|2,0,0]=4 4495 B16R1.52 C=CCCNC(C)COc1cccc(c1)Br f8d813e6ff434c6bbd92f84cf313f9af [0,1,0,0,0,1|1,0,1]=4 4496 B16R1.52 CC(C#Cc1cccc(c1)Cl)OCCC#N 1b0f39b29fee6b5b1454d8c6ee238f3f [0,1,0,0,0,1|1,0,1]=4 4497 B16R1.52 CC(COc1cccc(c1)Br)NCCC#N 037ae471c25b2b8cfe2630a0a4d95a43 [0,1,0,0,0,1|0,0,0]=2 4498 B16R1.52 CC(COc1cccc(c1)Br)NCCC=O 457b86795fcc73021277e15e3487f8bf [0,1,0,0,0,1|1,0,1]=4 4499 B16R1.52 CC(COc1cccc(c1)Br)NCCCF 646d3700c19b707559098feb73261b74 [0,1,0,0,0,1|1,0,1]=4 4500 B16R1.52 CC(COc1cccc(c1)Br)NCCCO 43a22c3f05e2f5e602174d4a3dd426da [0,1,0,0,0,1|1,0,1]=4 4501 B16R1.52 CC(COc1cccc(c1)Br)NCCCS 2cb523a2a7088094ba9ede99a487e133 [0,1,0,0,0,1|1,0,1]=4 4502 B16R1.52 CCCCNC(C)COc1cccc(c1)Br 4c4e504efa92f61ebbef0a8ffb25e0ba [0,1,0,0,0,1|1,0,1]=4 4503 B16R1.52 CN(CCCC#N)CCc1cccc(c1)Br fa993f7954271dba8c7e11465188986d [0,1,0,0,0,1|2,0,0]=4 4504 B16R1.52 CN(CCCC#N)CCc1cccc(c1)Cl 6dcff96d9b6355e3c94ab2dd1182c776 [0,1,0,0,0,1|2,0,0]=4 4505 B16R1.52 CN(CCCC#N)CCc1cccc(c1)F 54750cc31f9daffab7f40d6e4e9f3dc9 [0,1,0,0,0,1|2,0,0]=4 4506 B16R1.52 COCCNC(C)COc1cccc(c1)Br 5053aa550da0fcfcc136f6f0b68a1ef3 [0,1,0,0,0,1|2,0,0]=4 4507 B16R1.52 CSCCNC(C)COc1cccc(c1)Br 9bf43b371cf71ddd61a1bb077d1c5f6a [0,1,0,0,0,1|2,0,0]=4 4508 B16R1.52 Cc1cccc(c1)CCC(=O)NCCC#N e9e27dd22510b5fca4f9f85fce8e4d23 [0,1,0,0,0,1|1,0,1]=4 4509 B16R1.52 Cc1cccc(c1)CCN(C)CCCC#N 0c01c8138ff251026bec4bfe760d1c92 [0,1,0,0,0,1|2,0,0]=4 4510 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N 9cd8d94ab4fdd08bef44e70a6ca25076 [0,1,0,0,0,1|1,0,1]=4 4511 B16R1.52 Cc1cccc(c1)CNC(=S)NCCC#N 5084e6dd70bcaf0b28333d4ec4e6f7c6 [0,1,0,0,0,1|1,0,1]=4 4512 B16R1.52 Cc1cccc(c1)NCC(=O)NCCC#N e98377162f7ad9ddb0f17dbb101cded0 [0,1,0,0,0,1|1,0,1]=4 4513 B16R1.52 Cc1cccc(c1)OCC(=O)NCCC#N c6062bc2738dac71c724d75c1d200958 [0,1,0,0,0,1|1,0,1]=4 4514 B16R1.52 Cc1cccc(c1)OCC(C)OCCC#N af5f63adf20477e153bb9804f8f35d27 [0,1,0,0,0,1|1,0,0]=3 4515 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Br 9785473726a2cb3d4ad455bbd814821f [0,1,0,0,0,1|1,0,1]=4 4516 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Cl 9816985382e7269303c107d00cc53282 [0,1,0,0,0,1|1,0,1]=4 4517 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)F c1ad29e75a5ec5a17a92fe26c171a3c2 [0,1,0,0,0,1|1,0,1]=4 4518 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)I db8a214e2977ca04e9d22df7278dd7c3 [0,1,0,0,0,1|1,0,1]=4 4519 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)O 9d7485a622a239b6a75362e3f4a5651b [0,1,0,0,0,1|1,0,1]=4 4520 B16R1.52 N#CCCNC(=O)CNc1cccc(c1)Br 11a76cd75560e92c2f426e0b5b88a174 [0,1,0,0,0,1|1,0,1]=4 4521 B16R1.52 N#CCCNC(=O)CNc1cccc(c1)Cl 8d7802de9394909463f33d775fa41862 [0,1,0,0,0,1|1,0,1]=4 4522 B16R1.52 N#CCCNC(=O)CNc1cccc(c1)F 9ee166eb7a2f313e85c97466edb84974 [0,1,0,0,0,1|1,0,1]=4 4523 B16R1.52 N#CCCNC(=O)CNc1cccc(c1)I 54771c5f38ce8811361f7dbddd90179a [0,1,0,0,0,1|1,0,1]=4 4524 B16R1.52 N#CCCNC(=O)CNc1cccc(c1)S 5a614ff6a359142b020f7d748f9b7690 [0,1,0,0,0,1|1,0,1]=4 4525 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Br 970504d9dcccedc98fa8b5514414e0b2 [0,1,0,0,0,1|1,0,1]=4 4526 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Cl 5958e8ee045d4016f21b0cee037a6862 [0,1,0,0,0,1|1,0,1]=4 4527 B16R1.52 N#CCCNC(=O)COc1cccc(c1)F e8f3dc400471005fc53e5eca5a24f42a [0,1,0,0,0,1|1,0,1]=4 4528 B16R1.52 N#CCCNC(=O)COc1cccc(c1)I 45f7a41e12d96760a0660070e49ba1e9 [0,1,0,0,0,1|1,0,1]=4 4529 B16R1.52 N#CCCNC(=O)COc1cccc(c1)O b387974574f36532ef8fb31371193939 [0,1,0,0,0,1|1,0,1]=4 4530 B16R1.52 N#CCCNC(=O)COc1cccc(c1)S 06eacdebcf41eb0ae77416c6361e7abd [0,1,0,0,0,1|1,0,1]=4 4531 B16R1.52 N#CCCNC(=O)CSc1cccc(c1)Br d5b50c8fcebc35c88ef43b3a233fba44 [0,1,0,0,0,1|1,0,1]=4 4532 B16R1.52 N#CCCNC(=O)CSc1cccc(c1)Cl 339056e250cb5f1947904dd95d957b38 [0,1,0,0,0,1|1,0,1]=4 4533 B16R1.52 N#CCCNC(=O)CSc1cccc(c1)F 4cf9944ad7d770cc95cde03dc2e56d49 [0,1,0,0,0,1|1,0,1]=4 4534 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Br a923298ca50cefb4ad23b151e634c381 [0,1,0,0,0,1|1,0,1]=4 4535 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)Cl 490538dbec6989eeccfc89da2823d377 [0,1,0,0,0,1|1,0,1]=4 4536 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F 30a40242eaa445d880aa671637099b6a [0,1,0,0,0,1|1,0,1]=4 4537 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)I 28889bdfb854c1c7dfda25b641f53078 [0,1,0,0,0,1|1,0,1]=4 4538 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)O bad646e21a1ecffd621cd535bfff0e6c [0,1,0,0,0,1|1,0,1]=4 4539 B16R1.52 N#CCCNC(=S)NCc1cccc(c1)Br 7ffd87148eb0d58bf472070a77b3003b [0,1,0,0,0,1|1,0,1]=4 4540 B16R1.52 N#CCCNC(=S)NCc1cccc(c1)Cl c5a0de6f526eee496204b59cf9d48033 [0,1,0,0,0,1|1,0,1]=4 4541 B16R1.52 N#CCCNC(=S)NCc1cccc(c1)F 933fb813edb4e033e8e415c05f87cd46 [0,1,0,0,0,1|1,0,1]=4 4542 B16R1.52 N#CCCNC(=S)NCc1cccc(c1)I 784f77f38ba735c101813beb144b9dfd [0,1,0,0,0,1|1,0,1]=4 4543 B16R1.52 N#CCCNC(=S)NCc1cccc(c1)O d4bf5c1cf30fda5d1372fcb031745a31 [0,1,0,0,0,1|1,0,1]=4 4544 B16R1.608 C=C(C)CCNC(C)CCc1ccccc1 5ef4d193ca70729534434729521cd5d2 [0,1,0,0,0,1|1,0,1]=4 4545 B16R1.608 C=C(C)CCNC(C)COc1ccccc1 60f27657c5794c68009fa9fd50e1dd2c [0,1,0,0,0,1|1,0,1]=4 4546 B16R1.608 C=C(C)CCN[C@@H](C)CCc1ccccc1 f5bb63726a6a258e2415ce9ef8c52b3f [0,1,0,0,0,1|1,0,1]=4 4547 B16R1.608 C=C(C)CCN[C@H](C)CCc1ccccc1 a52b9d258d69a9e13be82e89cdb0b97b [0,1,0,0,0,1|1,0,1]=4 4548 B16R1.608 CC(=O)CCNC(C)CCc1ccccc1 86293da087d492af5a3caee29fbfbff7 [0,1,0,0,0,1|1,0,1]=4 4549 B16R1.608 CC(=O)CCNC(C)COc1ccccc1 cc07227a858089472d03651bc01f1313 [0,1,0,0,0,1|1,0,1]=4 4550 B16R1.608 CC(=O)CCN[C@@H](C)CCc1ccccc1 1b4f304f7006c3ad1d30dda7ecb729cb [0,1,0,0,0,1|1,0,1]=4 4551 B16R1.608 CC(=O)CCN[C@H](C)CCc1ccccc1 652dfa9f1757717828f9c102bed0f6df [0,1,0,0,0,1|1,0,1]=4 4552 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 8b2a6321f11b0c171f59592ae01ae788 [0,1,0,0,0,1|1,0,1]=4 4553 B16R1.608 CC(C)CCNC(C)COc1ccccc1 c587b06bed3802eb1cf6f83e7a131761 [0,1,0,0,0,1|1,0,1]=4 4554 B16R1.608 CC(C)CCN[C@@H](C)CCc1ccccc1 3cfddc667f23b2694e70b68ecf463b81 [0,1,0,0,0,1|1,0,1]=4 4555 B16R1.608 CC(C)CCN[C@H](C)CCc1ccccc1 72004b9065a8d7e319de742ce57170d6 [0,1,0,0,0,1|1,0,1]=4 4556 B16R1.608 CC(CCc1ccccc1)NCCC(=O)N b57d6d80febed964540bb4bb8cd17de5 [0,1,0,0,0,1|0,0,2]=4 4557 B16R1.608 CC(CCc1ccccc1)NCCC(=O)O b715fbf1d650141f2cb56419f7e8d2fb [0,1,0,0,0,1|1,0,1]=4 4558 B16R1.608 CC(CCc1ccccc1)NCCC(=S)N aac2825c5d937762ac5a163caaac3003 [0,1,0,0,0,1|0,0,2]=4 4559 B16R1.608 CC(CCc1ccccc1)NCCC(F)F ad7b78b6764f8939692332aa6bcafcf2 [0,1,0,0,0,1|1,0,1]=4 4560 B16R1.608 CC(CCc1ccccc1)NCCN(C)C 2da9ee6b8fe4aa56b69c5fac379ac3f2 [0,1,0,0,0,1|2,0,0]=4 4561 B16R1.608 CC(CCc1ccccc1)NCCS(=O)C f151577879c90a3b31490a00d6ff4023 [0,1,0,0,0,1|2,0,0]=4 4562 B16R1.608 CC(CCc1ccccc1)NCC[C@@H](C)O 902c18ef4d07ababc9a7e51b1651e27c [0,1,0,0,0,1|1,0,1]=4 4563 B16R1.608 CC(CCc1ccccc1)NCC[C@H](C)O 60add2452ee3bfdedb9f685713fc15e4 [0,1,0,0,0,1|1,0,1]=4 4564 B16R1.608 CC(COc1ccccc1)NCCC(=O)N 6912971db49fd67376aa3560cd879c9b [0,1,0,0,0,1|0,0,2]=4 4565 B16R1.608 CC(COc1ccccc1)NCCC(=O)O f880c635e0c3c8360306b834f0e8d30f [0,1,0,0,0,1|1,0,1]=4 4566 B16R1.608 CC(COc1ccccc1)NCCC(=S)N b45658300de71ae48e08bae369c0eaa2 [0,1,0,0,0,1|0,0,2]=4 4567 B16R1.608 CC(COc1ccccc1)NCCC(F)F b60a8e0a2b8a3e5a0aaf13ac73fd6a48 [0,1,0,0,0,1|1,0,1]=4 4568 B16R1.608 CC(COc1ccccc1)NCCN(C)C d5807d90cb68d33de24eeb6bc23cc881 [0,1,0,0,0,1|2,0,0]=4 4569 B16R1.608 CC(COc1ccccc1)NCCS(=O)C 2e2f3ce3bc034f7322f6a26683a0df55 [0,1,0,0,0,1|2,0,0]=4 4570 B16R1.608 CC(COc1ccccc1)NCCS(=O)O de025f8b5ca6cee7e402d9e2911d4bd2 [0,1,0,0,0,1|2,0,0]=4 4571 B16R1.608 CC(COc1ccccc1)NCC[C@@H](C)O 522f5d7afb1a08c842f00565118fe982 [0,1,0,0,0,1|1,0,1]=4 4572 B16R1.608 CC(COc1ccccc1)NCC[C@H](C)O 454d586443b5d2fc658edada88ea962e [0,1,0,0,0,1|1,0,1]=4 4573 B16R1.608 CC(O)CCNC(C)CCc1ccccc1 8dc79b3ff359dc6b007dbf46f62ff7e1 [0,1,0,0,0,1|1,0,1]=4 4574 B16R1.608 CC(O)CCNC(C)COc1ccccc1 63f8cb7a1131cb3892d23feacb56ac68 [0,1,0,0,0,1|1,0,1]=4 4575 B16R1.608 CC(O)CCN[C@@H](C)CCc1ccccc1 bd9d0e92b8f61e8ea75c8789256f39f8 [0,1,0,0,0,1|1,0,1]=4 4576 B16R1.608 CC(O)CCN[C@H](C)CCc1ccccc1 a9ddf20a417d6e8b9053f9a1d2513dd4 [0,1,0,0,0,1|1,0,1]=4 4577 B16R1.608 C[C@@H](CCc1ccccc1)NCCC(=O)N 4ce7a0e6ccb533cfa9a60997d90ae45a [0,1,0,0,0,1|0,0,2]=4 4578 B16R1.608 C[C@@H](CCc1ccccc1)NCCC(=O)O 6b023ac66db567f221e99f96ee98f629 [0,1,0,0,0,1|1,0,1]=4 4579 B16R1.608 C[C@@H](CCc1ccccc1)NCCN(C)C cf0549072db0965b5315248834174e96 [0,1,0,0,0,1|2,0,0]=4 4580 B16R1.608 C[C@@H](CCc1ccccc1)NCCS(=O)C 1226ec1fa2de0413f78733d740a51bab [0,1,0,0,0,1|2,0,0]=4 4581 B16R1.608 C[C@H](CCc1ccccc1)NCCC(=O)N 3f4c8f86634d5a387f931bb023372995 [0,1,0,0,0,1|0,0,2]=4 4582 B16R1.608 C[C@H](CCc1ccccc1)NCCC(=O)O 0341a77edd2d5e2513e49c6b17aab31c [0,1,0,0,0,1|1,0,1]=4 4583 B16R1.608 C[C@H](CCc1ccccc1)NCCN(C)C edc0e6112f7dc0a1323ed5e569562891 [0,1,0,0,0,1|2,0,0]=4 4584 B16R1.608 C[C@H](CCc1ccccc1)NCCS(=O)C 9e38e0eb862c08e00e28b8d4fb6f7537 [0,1,0,0,0,1|2,0,0]=4 4585 B16R1.688 C#CCCCNC(C)CCc1ccccc1 5a90a7d31497240395b59766e1205f91 [0,1,0,0,0,1|1,0,0]=3 4586 B16R1.688 C#CCCCNC(C)COc1ccccc1 929d90f470f0208b6a606c9ec893f4b9 [0,1,0,0,0,1|1,0,0]=3 4587 B16R1.688 C#CCCCN[C@@H](C)CCc1ccccc1 79782effaf42660ba0fdbd6d0865c918 [0,1,0,0,0,1|1,0,0]=3 4588 B16R1.688 C#CCCCN[C@H](C)CCc1ccccc1 90acf6cc0071e46799422284c5999526 [0,1,0,0,0,1|1,0,0]=3 4589 B16R1.688 C#CCCCOC(C)CCc1ccccc1 c29ba349b07ce006bbc74af04b6b8e29 [0,1,0,0,0,1|2,0,0]=4 4590 B16R1.688 C#CCCCOC(C)COc1ccccc1 0f2c4ccd90ebe11e2db4a1fc04115a72 [0,1,0,0,0,1|2,0,0]=4 4591 B16R1.688 C#CCCCO[C@@H](C)CCc1ccccc1 d09677818d507e6adfe0cfc2a4f36180 [0,1,0,0,0,1|2,0,0]=4 4592 B16R1.688 C#CCCCO[C@H](C)CCc1ccccc1 87955ada23100c45d99366c28e0ba226 [0,1,0,0,0,1|2,0,0]=4 4593 B16R1.688 C#CCCNCC(O)COc1ccccc1 40e6d91412798d5b4db5dc921fae1a06 [0,1,0,0,0,1|2,0,0]=4 4594 B16R1.688 C#CCCOCC(C)CCc1ccccc1 4b19b3976e87d0762d304137c51ab7eb [0,1,0,0,0,1|2,0,0]=4 4595 B16R1.688 C#CCCOCC(C)OCc1ccccc1 5ff410e5a7e587138efe83d1b183271f [0,1,0,0,0,1|2,0,0]=4 4596 B16R1.688 C#CCCOC[C@@H](C)OCc1ccccc1 e9105d73b4d805626186e07877eb655d [0,1,0,0,0,1|2,0,0]=4 4597 B16R1.688 C#CCCOC[C@H](C)OCc1ccccc1 0b1366c4a854a07df9f670a4a037846b [0,1,0,0,0,1|2,0,0]=4 4598 B16R1.688 C#CCOCCC(C)CCc1ccccc1 93333a54b4cb3247c691168afd0d8f41 [0,1,0,0,0,1|2,0,0]=4 4599 B16R1.688 C=CCCCNC(C)CCc1ccccc1 22ab68cdc2a9077498f07bff8712e7b1 [0,1,0,0,0,1|1,0,1]=4 4600 B16R1.688 C=CCCCNC(C)COc1ccccc1 5a93663e21d9be297d49d74730da41dd [0,1,0,0,0,1|1,0,1]=4 4601 B16R1.688 C=CCCCN[C@@H](C)CCc1ccccc1 52dcee7aa806224f37c4a53d4458536c [0,1,0,0,0,1|1,0,1]=4 4602 B16R1.688 C=CCCCN[C@H](C)CCc1ccccc1 b1e4eb0dbc9b5ef926ee90e932ed49d3 [0,1,0,0,0,1|1,0,1]=4 4603 B16R1.688 C=COCCNC(C)CCc1ccccc1 bfcb3985cdf0b53d323e80558d809f8f [0,1,0,0,0,1|1,0,1]=4 4604 B16R1.688 C=COCCNC(C)COc1ccccc1 088d6f5b6ae92db345ca09c8442c5282 [0,1,0,0,0,1|1,0,1]=4 4605 B16R1.688 CC#CCCOC(C)CCc1ccccc1 f643d98632a3478aab16f38530068eea [0,1,0,0,0,1|2,0,0]=4 4606 B16R1.688 CC#CCCOC(C)COc1ccccc1 5c94786a6addb638ff8262edd29970b6 [0,1,0,0,0,1|2,0,0]=4 4607 B16R1.688 CC(CCOCC#N)CCc1ccccc1 cd14e92631b52b4d07deefe5013c2922 [0,1,0,0,0,1|1,0,0]=3 4608 B16R1.688 CC(CCc1ccccc1)COCCC#N 159fd5c514652d8248aa02e1f4bfa156 [0,1,0,0,0,1|1,0,0]=3 4609 B16R1.688 CC(CCc1ccccc1)COCSC#N f774a6696e692c3fe63c324be81af636 [0,1,0,0,0,1|2,0,0]=4 4610 B16R1.688 CC(CCc1ccccc1)NCC#CCO 817b857914163be567ed907cf4e82b11 [0,1,0,0,0,1|1,0,1]=4 4611 B16R1.688 CC(CCc1ccccc1)NCC=CC#N e412663d00c97cf50335d3fd046624ee [0,1,0,0,0,1|0,0,1]=3 4612 B16R1.688 CC(CCc1ccccc1)NCCCC#N fda1efad6816db9c6e62489e04d62468 [0,1,0,0,0,1|0,0,0]=2 4613 B16R1.688 CC(CCc1ccccc1)NCCCC=O 7db5d95569b469b1d091c6815c9cc992 [0,1,0,0,0,1|1,0,1]=4 4614 B16R1.688 CC(CCc1ccccc1)NCCCCCl 54daee8a45f4dab91a3caabf89d220b7 [0,1,0,0,0,1|1,0,1]=4 4615 B16R1.688 CC(CCc1ccccc1)NCCCCF 26a358cf7a9af893ef5625be453daa7c [0,1,0,0,0,1|1,0,1]=4 4616 B16R1.688 CC(CCc1ccccc1)NCCCCO 3999c920f2a8c796ce1448b259967c47 [0,1,0,0,0,1|1,0,1]=4 4617 B16R1.688 CC(CCc1ccccc1)NCCCCS b15534c75483e558f5772422ccacd8c4 [0,1,0,0,0,1|1,0,1]=4 4618 B16R1.688 CC(CCc1ccccc1)OCC=CC#N 162eea7b7d44d3ba4020c380e9fb7b08 [0,1,0,0,0,1|1,0,1]=4 4619 B16R1.688 CC(CCc1ccccc1)OCCCC#N 844e19a1bf72458e15c73daccf2f298f [0,1,0,0,0,1|1,0,0]=3 4620 B16R1.688 CC(CCc1ccncc1)OCCCC#N 6e66cf329b3fe5832aa783ef8eac0999 [0,1,0,0,0,1|2,0,0]=4 4621 B16R1.688 CC(COCCC#N)OCc1ccccc1 6d72dc70608938c159c9f80e6a5343c0 [0,1,0,0,0,1|1,0,0]=3 4622 B16R1.688 CC(COCSC#N)OCc1ccccc1 ac41b627e942e133365bcf9131537d1b [0,1,0,0,0,1|2,0,0]=4 4623 B16R1.688 CC(COc1ccccc1)NCC#CCO 24fe335bf191bd9bd879ae0c8b002edc [0,1,0,0,0,1|1,0,1]=4 4624 B16R1.688 CC(COc1ccccc1)NCC=CC#N 50932e0cf875045ca6648550ceae9580 [0,1,0,0,0,1|0,0,1]=3 4625 B16R1.688 CC(COc1ccccc1)NCCCC#N 1bd6dce84c97911e8358c65ff26d4f7c [0,1,0,0,0,1|0,0,0]=2 4626 B16R1.688 CC(COc1ccccc1)NCCCC=O c1be5b4b0340104e7d4304956cad66ed [0,1,0,0,0,1|1,0,1]=4 4627 B16R1.688 CC(COc1ccccc1)NCCCCCl 468b7cae93d5bf9b30c90ef93926be90 [0,1,0,0,0,1|1,0,1]=4 4628 B16R1.688 CC(COc1ccccc1)NCCCCF 9240eb4e6052946ee7e41642f264ddd1 [0,1,0,0,0,1|1,0,1]=4 4629 B16R1.688 CC(COc1ccccc1)NCCCCO 7f740ec788e76d6e75229bf8b40ef72a [0,1,0,0,0,1|1,0,1]=4 4630 B16R1.688 CC(COc1ccccc1)NCCCCS f9a3c195e2fe3f7f60551f1893c26527 [0,1,0,0,0,1|1,0,1]=4 4631 B16R1.688 CC(COc1ccccc1)OCC=CC#N 4f8e8e5b6a8ba859c180881c13f18364 [0,1,0,0,0,1|1,0,1]=4 4632 B16R1.688 CC(COc1ccccc1)OCCCC#N 6fab79c6e0b4afcce00f4caeda40ed23 [0,1,0,0,0,1|1,0,0]=3 4633 B16R1.688 CCCCCNC(C)CCc1ccccc1 35864508acc1a8a96e55c8763a835472 [0,1,0,0,0,1|1,0,1]=4 4634 B16R1.688 CCCCCNC(C)COc1ccccc1 62ae38cddda2720e3238e11cf61ee7af [0,1,0,0,0,1|1,0,1]=4 4635 B16R1.688 CCCCCN[C@@H](C)CCc1ccccc1 c8e0de4985c826c8c9ed22bdca9cbadc [0,1,0,0,0,1|1,0,1]=4 4636 B16R1.688 CCCCCN[C@H](C)CCc1ccccc1 d2003606579c91bfc63ca637ce6633c2 [0,1,0,0,0,1|1,0,1]=4 4637 B16R1.688 CCOCCNC(C)CCc1ccccc1 8a6851439810ec1933066ce23f90e6d9 [0,1,0,0,0,1|1,0,1]=4 4638 B16R1.688 CCOCCNC(C)COc1ccccc1 1455c4c555dfcca0fa66950226635960 [0,1,0,0,0,1|1,0,1]=4 4639 B16R1.688 CCOCCN[C@@H](C)CCc1ccccc1 cadc52bd420ed0cbaa83006d4f4884df [0,1,0,0,0,1|1,0,1]=4 4640 B16R1.688 CCOCCN[C@H](C)CCc1ccccc1 6279f798cb253c64716ed232224b7406 [0,1,0,0,0,1|1,0,1]=4 4641 B16R1.688 CCSCCNC(C)CCc1ccccc1 4388efcb6f57b9239cf7a0c5e982c7fc [0,1,0,0,0,1|1,0,1]=4 4642 B16R1.688 CCSCCNC(C)COc1ccccc1 c84866ce4571d0095b1c58edd877003c [0,1,0,0,0,1|1,0,1]=4 4643 B16R1.688 CCSCCN[C@@H](C)CCc1ccccc1 87c2f529cdab1ee881bebc247ce4ee59 [0,1,0,0,0,1|1,0,1]=4 4644 B16R1.688 CCSCCN[C@H](C)CCc1ccccc1 57f6cd5335b450593b2b8fdf5ab2fd86 [0,1,0,0,0,1|1,0,1]=4 4645 B16R1.688 CN(CCCCC#N)CCc1ccccc1 8eb60877f9953ac0a47a75b8298b96cd [0,1,0,0,0,1|2,0,0]=4 4646 B16R1.688 CN(CCNCC#N)CCc1ccccc1 2ad7004852940ec445f174fa66ab436c [0,1,0,0,0,1|2,0,0]=4 4647 B16R1.688 CN(CCOCC#N)CCc1ccccc1 a631b0bf6e17e2e98e3bea989cd081dd [0,1,0,0,0,1|2,0,0]=4 4648 B16R1.688 COCCCNC(C)CCc1ccccc1 6c9e762dc0cef1798abfbe1cad972901 [0,1,0,0,0,1|1,0,1]=4 4649 B16R1.688 COCCCNC(C)COc1ccccc1 ce4351854bbdbca14d747f78b94c9cf7 [0,1,0,0,0,1|1,0,1]=4 4650 B16R1.688 COCCCN[C@@H](C)CCc1ccccc1 0cec74eeb120cf790e71bd98b80de874 [0,1,0,0,0,1|1,0,1]=4 4651 B16R1.688 COCCCN[C@H](C)CCc1ccccc1 2efb193b1b7e938d6002a7305037210e [0,1,0,0,0,1|1,0,1]=4 4652 B16R1.688 CSCCCNC(C)CCc1ccccc1 16b5ce16b717d401fa188c2bb9799604 [0,1,0,0,0,1|1,0,1]=4 4653 B16R1.688 CSCCCNC(C)COc1ccccc1 45145ede558de1e6bfb36d896095df0e [0,1,0,0,0,1|1,0,1]=4 4654 B16R1.688 CSCCCN[C@@H](C)CCc1ccccc1 4fa9d340eac564c798400bf7f786a8e6 [0,1,0,0,0,1|1,0,1]=4 4655 B16R1.688 CSCCCN[C@H](C)CCc1ccccc1 e974c90f9763c7e86c5c3594cf000e53 [0,1,0,0,0,1|1,0,1]=4 4656 B16R1.688 C[C@@H](/C=C/c1ccccc1)OCCCC#N 8cd35704b52674cbbd0466c1ace28323 [0,1,0,0,0,1|1,0,1]=4 4657 B16R1.688 C[C@@H](CCc1ccccc1)NCC=CC#N 61007913924eb2c8ea12e539bc19af57 [0,1,0,0,0,1|0,0,1]=3 4658 B16R1.688 C[C@@H](CCc1ccccc1)NCCCC#N e2d78adfa0d47a7e88f6c2aa0cc50880 [0,1,0,0,0,1|0,0,0]=2 4659 B16R1.688 C[C@@H](CCc1ccccc1)NCCCC=O 78e6ef3e7670c0980d15da8107604636 [0,1,0,0,0,1|1,0,1]=4 4660 B16R1.688 C[C@@H](CCc1ccccc1)NCCCCF ac96c7b478a74154c5244850b41c7565 [0,1,0,0,0,1|1,0,1]=4 4661 B16R1.688 C[C@@H](CCc1ccccc1)NCCCCO 8ebd2186678e17c9444c035db5153e95 [0,1,0,0,0,1|1,0,1]=4 4662 B16R1.688 C[C@@H](CCc1ccccc1)OCC=CC#N addf4d53ff8696e867ba68a3e849bdea [0,1,0,0,0,1|1,0,1]=4 4663 B16R1.688 C[C@@H](CCc1ccccc1)OCCCC#N d80dbf709a5906710fb8abfa26530285 [0,1,0,0,0,1|1,0,0]=3 4664 B16R1.688 C[C@@H](COCCC#N)OCc1ccccc1 34c1f637de674076d0209a9c6277b6d1 [0,1,0,0,0,1|1,0,0]=3 4665 B16R1.688 C[C@@H](COCSC#N)OCc1ccccc1 ac9f987dd642c0d3e9fcf3c0873d9211 [0,1,0,0,0,1|2,0,0]=4 4666 B16R1.688 C[C@H](/C=C/c1ccccc1)OCCCC#N 3a285f2bbdc3924124729e7642db4001 [0,1,0,0,0,1|1,0,1]=4 4667 B16R1.688 C[C@H](CCc1ccccc1)NCC=CC#N e10c4720ae5a47487530dd57c5fbbde3 [0,1,0,0,0,1|0,0,1]=3 4668 B16R1.688 C[C@H](CCc1ccccc1)NCCCC#N e24ee0e97101061b4d6f10bd779ee702 [0,1,0,0,0,1|0,0,0]=2 4669 B16R1.688 C[C@H](CCc1ccccc1)NCCCC=O e55099ab0d382342bd412756fc655c7b [0,1,0,0,0,1|1,0,1]=4 4670 B16R1.688 C[C@H](CCc1ccccc1)NCCCCF 7d177b3ca1a6cc809f313aa42c784422 [0,1,0,0,0,1|1,0,1]=4 4671 B16R1.688 C[C@H](CCc1ccccc1)NCCCCO 9602bc47c49db882d932da5674c10981 [0,1,0,0,0,1|1,0,1]=4 4672 B16R1.688 C[C@H](CCc1ccccc1)OCC=CC#N ce0e870ca0a3c776ecdaadcd9b0898ca [0,1,0,0,0,1|1,0,1]=4 4673 B16R1.688 C[C@H](CCc1ccccc1)OCCCC#N e8cf18adb1e8eb3df4f17f674245e779 [0,1,0,0,0,1|1,0,0]=3 4674 B16R1.688 C[C@H](COCCC#N)OCc1ccccc1 f87097efb0269b6a06db61f6099d843e [0,1,0,0,0,1|1,0,0]=3 4675 B16R1.688 C[C@H](COCSC#N)OCc1ccccc1 d36cdd99616cec8e29ff77eca0856361 [0,1,0,0,0,1|2,0,0]=4 4676 B16R1.688 N#CCCCNC(=O)CCc1ccccc1 9b2cb8e9a1e2fa40882f1fe831d8a347 [0,1,0,0,0,1|1,0,1]=4 4677 B16R1.688 N#CCCCNC(=O)COc1ccccc1 eea63b9745e4c3decc37473dc0b9f2dc [0,1,0,0,0,1|1,0,1]=4 4678 B16R1.688 N#CCCCNC(=O)CSc1ccccc1 ebf86dee6f0946b77a6e1bae440adc08 [0,1,0,0,0,1|1,0,1]=4 4679 B16R1.688 N#CCCCNC(=O)NCc1ccccc1 d59d2d2bb09b2aeb68923dce3e083ba6 [0,1,0,0,0,1|1,0,1]=4 4680 B16R1.688 N#CCCCNC(=S)NCc1ccccc1 56781ee530241f0ed9339b3c90dd7982 [0,1,0,0,0,1|1,0,1]=4 4681 B16R1.688 N#CCCNCC(=O)CCc1ccccc1 c7dc9f64f9ff51551706481eff8c98b6 [0,1,0,0,0,1|1,0,1]=4 4682 B16R1.688 N#CCCNCC(=O)NCc1ccccc1 d40662aa8839f987e9c57d6278fcc95e [0,1,0,0,0,1|1,0,1]=4 4683 B16R1.688 N#CCCNCC(=O)OCc1ccccc1 73fc527a29744ec2fc67273da59c57dd [0,1,0,0,0,1|1,0,1]=4 4684 B16R1.688 N#CCCNCC(=O)SCc1ccccc1 4b7f2aed4ca4d93a5260dbf5fbd150c7 [0,1,0,0,0,1|1,0,1]=4 4685 B16R1.688 N#CCCNCC(O)COc1ccccc1 87bd73c2db601033dff5d84a808314f4 [0,1,0,0,0,1|1,0,0]=3 4686 B16R1.1216 C#CCCNC(C)C(=O)Nc1ccccc1 d70a0ebd20b985121516142a2c2c0e4d [0,1,0,0,0,1|1,0,1]=4 4687 B16R1.1216 C#CCCN[C@@H](C)C(=O)Nc1ccccc1 21edd9b264f7b7f6a142d579c5bdc2be [0,1,0,0,0,1|1,0,1]=4 4688 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCC#N 5805d11e236729c4aa52e842f001ec52 [0,1,0,0,0,1|1,0,1]=4 4689 B16R1.1216 CC(NCCC#N)C(=O)Nc1ccccc1 082292e58437ca3523ff93cf9486f8ea [0,1,0,0,0,1|0,0,1]=3 4690 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCC#N 2ae25589fbdca259a010bcd6451a0940 [0,1,0,0,0,1|1,0,1]=4 4691 B16R1.1216 CN(Cc1ccccc1)C(=O)NCCC#N 2d6f63b19a7cb619c622aa0217204f4e [0,1,0,0,0,1|1,0,1]=4 4692 B16R1.1216 CN(Cc1ccccc1)C(=S)NCCC#N 32fc5da682638a78b6cd4eb329225926 [0,1,0,0,0,1|1,0,1]=4 4693 B16R1.1216 C[C@@H](Oc1ccccc1)C(=O)NCCC#N 9fa437d54e0fdd5f15e7582496a64052 [0,1,0,0,0,1|1,0,1]=4 4694 B16R1.1216 C[C@H](NCCC#N)C(=O)Nc1ccccc1 8144136d0722c377d309844222202609 [0,1,0,0,0,1|0,0,1]=3 4695 B16R1.1216 C[C@H](Oc1ccccc1)C(=O)NCCC#N b828df22cc25a3574a10cd799a711fd1 [0,1,0,0,0,1|1,0,1]=4 4696 B16R1.1216 N#CCCNC(=O)C(=O)Cc1ccccc1 54fba79317bd25d51b3a3a210c1c6c12 [0,1,0,0,0,1|1,0,1]=4 4697 B16R1.1216 N#CCCNC(=O)C(O)Cc1ccccc1 c7cb6e3363071c6a9e268be377283df1 [0,1,0,0,0,1|1,0,1]=4 4698 B16R1.1216 N#CCCNC(=O)C(S)Cc1ccccc1 e1a17af3fc9050ec3701eb96c78045b4 [0,1,0,0,0,1|1,0,1]=4 4699 B16R1.1216 N#CCCNC(=O)[C@@H](O)Cc1ccccc1 f670fd1d030894f6d07aa05bb734179b [0,1,0,0,0,1|1,0,1]=4 4700 B16R1.1216 N#CCCNC(=O)[C@H](O)Cc1ccccc1 04f11a14761dbc4135dee09147d16a85 [0,1,0,0,0,1|1,0,1]=4 4701 B16R1.1343 C=C(C#N)CNC(C)CCc1ccccc1 e785b6ab6ffa3057fe7adf6e2c5aaf06 [0,1,0,0,0,1|0,0,1]=3 4702 B16R1.1343 C=C(C#N)CNC(C)COc1ccccc1 4616cd4717c7885923615bf008f28e5e [0,1,0,0,0,1|0,0,1]=3 4703 B16R1.1343 C=C(C#N)CN[C@@H](C)CCc1ccccc1 a954198c6584a3db2bd0cf919de20f79 [0,1,0,0,0,1|0,0,1]=3 4704 B16R1.1343 C=C(C#N)CN[C@H](C)CCc1ccccc1 1d3fb4153f4fc1ef351563fbfb39112f [0,1,0,0,0,1|0,0,1]=3 4705 B16R1.1343 C=C(C#N)COC(C)CCc1ccccc1 d90906d47cc30f8c6032072f6f0bafbc [0,1,0,0,0,1|1,0,1]=4 4706 B16R1.1343 C=C(C#N)COC(C)COc1ccccc1 b20ad91b007ec3c854a27911e1daf7c7 [0,1,0,0,0,1|1,0,1]=4 4707 B16R1.1343 C=C(C#N)CO[C@@H](C)CCc1ccccc1 3dd1945872e369f4af169753100009c6 [0,1,0,0,0,1|1,0,1]=4 4708 B16R1.1343 C=C(C#N)CO[C@H](C)CCc1ccccc1 9aca2537966745b473922c5c2f4ad9f5 [0,1,0,0,0,1|1,0,1]=4 4709 B16R1.1343 C=CC(O)CNC(C)CCc1ccccc1 93d227127a1e62ac9ba2bbeafa541fd4 [0,1,0,0,0,1|1,0,1]=4 4710 B16R1.1343 C=CC(O)CNC(C)COc1ccccc1 7d7ad59ffd03a8a0aa3294d1885ccad2 [0,1,0,0,0,1|1,0,1]=4 4711 B16R1.1343 CC(C#N)CNC(=O)COc1ccccc1 c571fa6c48122f2a73142162eb39c03e [0,1,0,0,0,1|1,0,1]=4 4712 B16R1.1343 CC(C#N)CNC(=O)CSc1ccccc1 f0d5e85223e775a5e9fdde4038b9098c [0,1,0,0,0,1|1,0,1]=4 4713 B16R1.1343 CC(C#N)CNC(=O)NCc1ccccc1 725f8154f4745e74bb8c0f62f67d9449 [0,1,0,0,0,1|1,0,1]=4 4714 B16R1.1343 CC(C#N)CNC(=S)NCc1ccccc1 1691d9d08c1b0e70f6ed1206f6c12caa [0,1,0,0,0,1|1,0,1]=4 4715 B16R1.1343 CC(C#N)CNC(C)CCc1ccccc1 4a7dc417d195c4620b2b3f5d26e169b6 [0,1,0,0,0,1|0,0,0]=2 4716 B16R1.1343 CC(C#N)CNC(C)COc1ccccc1 59b0641dc7ad857db9c43c251dca8a46 [0,1,0,0,0,1|0,0,0]=2 4717 B16R1.1343 CC(C#N)CN[C@@H](C)CCc1ccccc1 ce66d0f23f90d17f7881a88d05fec0d7 [0,1,0,0,0,1|0,0,0]=2 4718 B16R1.1343 CC(C#N)CN[C@H](C)CCc1ccccc1 7f6a2021148c793354a83fee4888156d [0,1,0,0,0,1|0,0,0]=2 4719 B16R1.1343 CC(C#N)COC(C)CCc1ccccc1 4702719a7c018438904fdffc76b2d5fc [0,1,0,0,0,1|1,0,0]=3 4720 B16R1.1343 CC(C#N)COC(C)CCc1ccncc1 6520bd891e2fbf5dd579ff47cd8c8d6a [0,1,0,0,0,1|2,0,0]=4 4721 B16R1.1343 CC(C#N)COC(C)COc1ccccc1 c635d1cbd2ad07559972675c9deca5f7 [0,1,0,0,0,1|1,0,0]=3 4722 B16R1.1343 CC(CCc1ccccc1)NCC(Br)CBr 7b0c584309073e2f298fbd3a61fba5bd [0,1,0,0,0,1|1,0,1]=4 4723 B16R1.1343 CC(CCc1ccccc1)NCC(F)CO c8ab019101f7584ce4e0c0cd615ad079 [0,1,0,0,0,1|1,0,1]=4 4724 B16R1.1343 CC(CCc1ccccc1)NCC(O)CF 30ec8dc08afaf738e1b408529b24ef71 [0,1,0,0,0,1|1,0,1]=4 4725 B16R1.1343 CC(CCc1ccccc1)NCC(O)CO 7a32b72cfa262631bbf0658d0e9ed918 [0,1,0,0,0,1|1,0,1]=4 4726 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](C)CO ad8de5a55a47b1d30ff03c81dc9c64a6 [0,1,0,0,0,1|1,0,1]=4 4727 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](F)CO c183ba81517fb26443b5d997c976415b [0,1,0,0,0,1|1,0,1]=4 4728 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CO 32435b4d4a9d9240ae2209696ee039b7 [0,1,0,0,0,1|1,0,1]=4 4729 B16R1.1343 CC(CCc1ccccc1)NC[C@H](C)CO 97613c055f470733a441ea4adef4ea4f [0,1,0,0,0,1|1,0,1]=4 4730 B16R1.1343 CC(CCc1ccccc1)NC[C@H](F)CO f57464d01d1f3437f4f67de392813050 [0,1,0,0,0,1|1,0,1]=4 4731 B16R1.1343 CC(CCc1ccccc1)NC[C@H](O)CO 2bbab6ca2ef249d336f63f1b4c15746c [0,1,0,0,0,1|1,0,1]=4 4732 B16R1.1343 CC(CO)CNC(C)CCc1ccccc1 15749830a4269e266adef54b6b7314d6 [0,1,0,0,0,1|1,0,1]=4 4733 B16R1.1343 CC(CO)CNC(C)COc1ccccc1 711138f85ec9b5f7ab057def2a88c3f1 [0,1,0,0,0,1|1,0,1]=4 4734 B16R1.1343 CC(CO)CN[C@@H](C)CCc1ccccc1 475da36a5279cff38544af7a15b7fd36 [0,1,0,0,0,1|1,0,1]=4 4735 B16R1.1343 CC(CO)CN[C@H](C)CCc1ccccc1 b0ab121f7d021fca65f96c98c10a073b [0,1,0,0,0,1|1,0,1]=4 4736 B16R1.1343 CC(COc1ccccc1)NCC(Br)CBr a6529a5682e2c9b1a5566317a5e64bf8 [0,1,0,0,0,1|1,0,1]=4 4737 B16R1.1343 CC(COc1ccccc1)NCC(F)CO 01011a6695ef7a1ff82a0321469fe240 [0,1,0,0,0,1|1,0,1]=4 4738 B16R1.1343 CC(COc1ccccc1)NCC(O)CF f9eb793cdcf6b7789e73b25479da372e [0,1,0,0,0,1|1,0,1]=4 4739 B16R1.1343 CC(COc1ccccc1)NCC(O)CO f0fb03463f310ca9a0211c174d2b6740 [0,1,0,0,0,1|1,0,1]=4 4740 B16R1.1343 CC(COc1ccccc1)NC[C@@H](C)CO 7c7d587306cff28315c878756cc52f6b [0,1,0,0,0,1|1,0,1]=4 4741 B16R1.1343 CC(COc1ccccc1)NC[C@@H](F)CO 4a6f29ca8f09fe83f207900c3a5a6776 [0,1,0,0,0,1|1,0,1]=4 4742 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CO e9803d27f1c50d8dfeba7a31c8899462 [0,1,0,0,0,1|1,0,1]=4 4743 B16R1.1343 CC(COc1ccccc1)NC[C@H](C)CO 69164ab2eb2823afae3793d7d1e9a8ed [0,1,0,0,0,1|1,0,1]=4 4744 B16R1.1343 CC(COc1ccccc1)NC[C@H](F)CO 2a10510d83dbffd23f05b7dc42390eea [0,1,0,0,0,1|1,0,1]=4 4745 B16R1.1343 CC(COc1ccccc1)NC[C@H](O)CO b87b2c6100a5ac9a699dc46f8e3dbd9e [0,1,0,0,0,1|1,0,1]=4 4746 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 8ae9bbb45a060eb231b912795ed51197 [0,1,0,0,0,1|1,0,1]=4 4747 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 daa6c0df322e17578a908347d5b37ebb [0,1,0,0,0,1|1,0,1]=4 4748 B16R1.1343 CCC(C)CN[C@@H](C)CCc1ccccc1 179fd2c807bcebf5991689e6aa1d4e31 [0,1,0,0,0,1|1,0,1]=4 4749 B16R1.1343 CCC(C)CN[C@H](C)CCc1ccccc1 ad80c32480e0a3b0eeaf5b52a8c77d8b [0,1,0,0,0,1|1,0,1]=4 4750 B16R1.1343 CCC(O)CNC(C)CCc1ccccc1 cdd2dccabdf29bb9d7098a02feabb374 [0,1,0,0,0,1|1,0,1]=4 4751 B16R1.1343 CCC(O)CNC(C)COc1ccccc1 208c0bf973dc2bf9c07a96ce38004887 [0,1,0,0,0,1|1,0,1]=4 4752 B16R1.1343 CCC(O)CN[C@@H](C)CCc1ccccc1 80f718d954da5eef5ad500d2f4c52ac6 [0,1,0,0,0,1|1,0,1]=4 4753 B16R1.1343 CCC(O)CN[C@H](C)CCc1ccccc1 997b2e65582214fd10c1847bb5abe7b3 [0,1,0,0,0,1|1,0,1]=4 4754 B16R1.1343 CC[C@@H](C)CNC(C)CCc1ccccc1 538e154bf4064c05700500cc0b1eb76b [0,1,0,0,0,1|1,0,1]=4 4755 B16R1.1343 CC[C@@H](C)CNC(C)COc1ccccc1 140a32dbadebe5df533641503f90d588 [0,1,0,0,0,1|1,0,1]=4 4756 B16R1.1343 CC[C@@H](C)CN[C@@H](C)CCc1ccccc1 20cb6199d7a28a43a2a25c090450a13c [0,1,0,0,0,1|1,0,1]=4 4757 B16R1.1343 CC[C@@H](C)CN[C@H](C)CCc1ccccc1 a0d5244f7cd4849348aa458298beed64 [0,1,0,0,0,1|1,0,1]=4 4758 B16R1.1343 CC[C@@H](O)CNC(C)COc1ccccc1 c165e089ed3354737f68ea3bd0ad2eee [0,1,0,0,0,1|1,0,1]=4 4759 B16R1.1343 CC[C@H](C)CNC(C)CCc1ccccc1 d4a86e9811d6c81a6f74e64c12426746 [0,1,0,0,0,1|1,0,1]=4 4760 B16R1.1343 CC[C@H](C)CNC(C)COc1ccccc1 935f8a59dbb8673ae6232609cc544167 [0,1,0,0,0,1|1,0,1]=4 4761 B16R1.1343 CC[C@H](C)CN[C@@H](C)CCc1ccccc1 aad62c0938d6545b5be82583a679040e [0,1,0,0,0,1|1,0,1]=4 4762 B16R1.1343 CC[C@H](C)CN[C@H](C)CCc1ccccc1 cc771857abe77003ababb48504e3997b [0,1,0,0,0,1|1,0,1]=4 4763 B16R1.1343 COC(C)CNC(C)CCc1ccccc1 4ed8542530418013522b5229241804ce [0,1,0,0,0,1|2,0,0]=4 4764 B16R1.1343 COC(C)CNC(C)COc1ccccc1 7003bf500d7c21265ff877e382af4d2c [0,1,0,0,0,1|2,0,0]=4 4765 B16R1.1343 COC(C)CN[C@@H](C)CCc1ccccc1 0384cd022a4344d1689071a8664b1af4 [0,1,0,0,0,1|2,0,0]=4 4766 B16R1.1343 COC(C)CN[C@H](C)CCc1ccccc1 fb13d5a30856f7eb891e1147cc12ab46 [0,1,0,0,0,1|2,0,0]=4 4767 B16R1.1343 CO[C@@H](C)CNC(C)CCc1ccccc1 c87fab9d92bded035bae0355036bcf6c [0,1,0,0,0,1|2,0,0]=4 4768 B16R1.1343 CO[C@@H](C)CNC(C)COc1ccccc1 27b134ef28b73049a42310fda2aef99d [0,1,0,0,0,1|2,0,0]=4 4769 B16R1.1343 CO[C@@H](C)CN[C@@H](C)CCc1ccccc1 cad80441687507a6590a3c2140461948 [0,1,0,0,0,1|2,0,0]=4 4770 B16R1.1343 CO[C@@H](C)CN[C@H](C)CCc1ccccc1 7188ce3b3481bc213b171ea66c628a4c [0,1,0,0,0,1|2,0,0]=4 4771 B16R1.1343 CO[C@H](C)CNC(C)CCc1ccccc1 60fa811f1680ddf8c115eb2d9170f26c [0,1,0,0,0,1|2,0,0]=4 4772 B16R1.1343 CO[C@H](C)CNC(C)COc1ccccc1 7b01f8340cc275fefdcffae0551e3c3c [0,1,0,0,0,1|2,0,0]=4 4773 B16R1.1343 CO[C@H](C)CN[C@@H](C)CCc1ccccc1 edd5a9faafae32955dd79e7d1c452ed8 [0,1,0,0,0,1|2,0,0]=4 4774 B16R1.1343 CO[C@H](C)CN[C@H](C)CCc1ccccc1 ba0e3393bb8da1a5a6c6f186fb41197f [0,1,0,0,0,1|2,0,0]=4 4775 B16R1.1343 C[C@@H](CCc1ccccc1)NCC(O)CF 9be566a73b0df458f280be6f3de1d3bd [0,1,0,0,0,1|1,0,1]=4 4776 B16R1.1343 C[C@@H](CCc1ccccc1)NCC(O)CO 18e84bb621cf1feeb6a0b85d32d7fd16 [0,1,0,0,0,1|1,0,1]=4 4777 B16R1.1343 C[C@@H](CCc1ccccc1)NC[C@@H](O)CO a4d5dc4ea73e9b2ff09e2f6cedc8eba5 [0,1,0,0,0,1|1,0,1]=4 4778 B16R1.1343 C[C@@H](CCc1ccccc1)NC[C@H](O)CO db817d1ce940611e67e19561eff09e27 [0,1,0,0,0,1|1,0,1]=4 4779 B16R1.1343 C[C@@H](CO)CN[C@@H](C)CCc1ccccc1 9d40fe217e880ba0102944ba951c2091 [0,1,0,0,0,1|1,0,1]=4 4780 B16R1.1343 C[C@@H](CO)CN[C@H](C)CCc1ccccc1 52c986feefad3c088a4882a6b09efa49 [0,1,0,0,0,1|1,0,1]=4 4781 B16R1.1343 C[C@H](CCc1ccccc1)NCC(O)CF 663e27416af0b1f40c615d074fc48372 [0,1,0,0,0,1|1,0,1]=4 4782 B16R1.1343 C[C@H](CCc1ccccc1)NCC(O)CO 0d58fb71ceeeed20fa6392b80f95cdd1 [0,1,0,0,0,1|1,0,1]=4 4783 B16R1.1343 C[C@H](CCc1ccccc1)NC[C@@H](O)CO 7baf8ea1f3fa52c53e3223884863641b [0,1,0,0,0,1|1,0,1]=4 4784 B16R1.1343 C[C@H](CCc1ccccc1)NC[C@H](O)CO 6b923a9af7ee6b53e935a45e787f0ca2 [0,1,0,0,0,1|1,0,1]=4 4785 B16R1.1343 C[C@H](CO)CN[C@@H](C)CCc1ccccc1 abb2515fce63181c014a569b759b9515 [0,1,0,0,0,1|1,0,1]=4 4786 B16R1.1343 C[C@H](CO)CN[C@H](C)CCc1ccccc1 7c3ba1156c25da56b824e1ea22a03553 [0,1,0,0,0,1|1,0,1]=4 4787 B16R1.1516 C#CCCN(C)C(C)CCc1ccccc1 583b2a03617d41ec9e5d622da90ba3a0 [0,1,0,0,0,1|1,0,0]=3 4788 B16R1.1516 C#CCCN(C)C(C)COc1ccccc1 5c284a2ea850504d8fb3578027306eb7 [0,1,0,0,0,1|1,0,0]=3 4789 B16R1.1516 C=CCCN(C)C(C)CCc1ccccc1 dd5b2e407c42d2e1117576f6c824afcd [0,1,0,0,0,1|1,0,1]=4 4790 B16R1.1516 C=CCCN(C)C(C)COc1ccccc1 5fbed2fdb8b23b0745aa6c1f4661f0ca [0,1,0,0,0,1|1,0,1]=4 4791 B16R1.1516 CC(CCC#N)N(C)CCc1ccccc1 78c57656e54718aa33f0faa11389f57c [0,1,0,0,0,1|2,0,0]=4 4792 B16R1.1516 CC(CCc1ccccc1)N(C)CCC#N c14c2fd005e038f4d7c4b27af34b4df4 [0,1,0,0,0,1|0,0,0]=2 4793 B16R1.1516 CC(CCc1ccccc1)N(C)CCCO c1622d7129b2ac75d7c6b132ccef9920 [0,1,0,0,0,1|1,0,1]=4 4794 B16R1.1516 CC(COc1ccccc1)N(C)CCC#N 90ca034d21cad598b0640ca5fc751675 [0,1,0,0,0,1|0,0,0]=2 4795 B16R1.1516 CC(SCc1ccccc1)C(=O)NCC#N 4df74160ff8bdf97257fa22902a305af [0,1,0,0,0,1|2,0,0]=4 4796 B16R1.1516 CCCCN(C)C(C)CCc1ccccc1 fe38ee236caeb8c6efd41c12a81f80bf [0,1,0,0,0,1|1,0,1]=4 4797 B16R1.1516 CCCCN(C)C(C)COc1ccccc1 1c6489682ec8dbef259707517b918cbd [0,1,0,0,0,1|1,0,1]=4 4798 B16R1.1516 CN(CCC#N)C(=O)CCc1ccccc1 92fa513ed4b4f70c0afa1f63f8300f98 [0,1,0,0,0,1|1,0,1]=4 4799 B16R1.1516 CN(CCC#N)C(=O)COc1ccccc1 c252b046be7747a88a661a87d4763ca2 [0,1,0,0,0,1|1,0,1]=4 4800 B16R1.1516 CN(CCC#N)C(=O)CSc1ccccc1 30961bfde8341999ea662e10780f2239 [0,1,0,0,0,1|1,0,1]=4 4801 B16R1.1516 CN(CCC#N)C(=O)NCc1ccccc1 83f674070826c0d16cd82497349ff802 [0,1,0,0,0,1|1,0,1]=4 4802 B16R1.1516 CN(CCC#N)C(=S)NCc1ccccc1 f80e25b9ea98ddd98ed713cdb38061c0 [0,1,0,0,0,1|1,0,1]=4 4803 B16R1.1516 CN(CCc1ccccc1)C(=O)CCC#N 3923a76f503e1d61b3fb1e0c8c613d91 [0,1,0,0,0,1|2,0,0]=4 4804 B16R1.1516 COCCN(C)C(C)COc1ccccc1 178e63f318590af430b2ff363d28f033 [0,1,0,0,0,1|2,0,0]=4 4805 B16R1.1570 C#CCC(=O)NC(C)CCc1ccccc1 eb96e774f8afe61c0f5cc0239180fc14 [0,1,0,0,0,1|1,0,1]=4 4806 B16R1.1570 C#CCC(=O)NC(C)COc1ccccc1 0d248507d267a27d93c4dbb49a5316cf [0,1,0,0,0,1|1,0,1]=4 4807 B16R1.1570 C#CCC(=O)N[C@@H](C)CCc1ccccc1 e6e03dda5b480361c9225a68c4468f59 [0,1,0,0,0,1|1,0,1]=4 4808 B16R1.1570 C#CCC(=O)N[C@H](C)CCc1ccccc1 9baac17b3d2b8780e008078096d5ec36 [0,1,0,0,0,1|1,0,1]=4 4809 B16R1.1570 CC(CC#N)NC(=O)CCc1ccccc1 489d2f2c95e13421c80b5ff2215b5c2c [0,1,0,0,0,1|1,0,1]=4 4810 B16R1.1570 CC(CC#N)NC(=O)COc1ccccc1 cd3b4895f4c5102c849d1075d28e860a [0,1,0,0,0,1|1,0,1]=4 4811 B16R1.1570 CC(CC#N)NC(=O)CSc1ccccc1 615897a56b9fe9def2c5a272f671a892 [0,1,0,0,0,1|1,0,1]=4 4812 B16R1.1570 CC(CC#N)NC(=O)NCc1ccccc1 e9d1e3aa5cde6ad71fe27c8e99161153 [0,1,0,0,0,1|1,0,1]=4 4813 B16R1.1570 CC(CC#N)NC(=S)NCc1ccccc1 152f578f44a7b74565e5ecc8d24d75a5 [0,1,0,0,0,1|1,0,1]=4 4814 B16R1.1570 CC(CC#N)NC(C)CCc1ccccc1 cf215e69743cc8d21076a973778494cc [0,1,0,0,0,1|0,0,0]=2 4815 B16R1.1570 CC(CC#N)NC(C)COc1ccccc1 476944116cc88b78fb133c1eb738e8d7 [0,1,0,0,0,1|0,0,0]=2 4816 B16R1.1570 CC(CC#N)N[C@@H](C)CCc1ccccc1 d751c1a39f019827d10e91639de46d09 [0,1,0,0,0,1|0,0,0]=2 4817 B16R1.1570 CC(CC#N)N[C@H](C)CCc1ccccc1 d2b68b58d97eec8a76747e693a580ee4 [0,1,0,0,0,1|0,0,0]=2 4818 B16R1.1570 CC(CC#N)OC(C)CCc1ccccc1 f717f07f5d63a9933d8283a41a0133a4 [0,1,0,0,0,1|1,0,0]=3 4819 B16R1.1570 CC(CC#N)OC(C)CCc1ccncc1 2ac76a92865b5e5e5ebe2bade0f5c668 [0,1,0,0,0,1|2,0,0]=4 4820 B16R1.1570 CC(CC#N)O[C@@H](C)/C=C/c1ccccc1 0242fe54bac94bcd555392b3f07a380e [0,1,0,0,0,1|1,0,1]=4 4821 B16R1.1570 CC(CC#N)O[C@@H](C)CCc1ccccc1 350e2c4bdaf8f8d2afbcb4f96c4c6919 [0,1,0,0,0,1|1,0,0]=3 4822 B16R1.1570 CC(CC#N)O[C@H](C)/C=C/c1ccccc1 c24a11644bfeac855e62dabe32184e26 [0,1,0,0,0,1|1,0,1]=4 4823 B16R1.1570 CC(CC#N)O[C@H](C)CCc1ccccc1 e0b4223b361f3d1326400f8e1b3dd818 [0,1,0,0,0,1|1,0,0]=3 4824 B16R1.1570 CC(CCO)NC(C)COc1ccccc1 c6dccf66b4a5d785b581ee4968e62c7c [0,1,0,0,0,1|1,0,1]=4 4825 B16R1.1570 CC(CCc1ccccc1)NC(=O)CC#N 588c83acc7cb52f61547569cdecbe111 [0,1,0,0,0,1|0,0,1]=3 4826 B16R1.1570 CC(CCc1ccccc1)NC(=S)NC#N 2c183941ec3ddfce8eacd0e22c6cc943 [0,1,0,0,0,1|1,0,1]=4 4827 B16R1.1570 CC(COc1ccccc1)NC(=O)CC#N eae74bda3258cbc923ae914d4f910a4e [0,1,0,0,0,1|0,0,1]=3 4828 B16R1.1570 CC(COc1ccccc1)N[C@@H](C)CCO 9b2a0d0fffb8edeecbd84ef1c4e5ad1b [0,1,0,0,0,1|1,0,1]=4 4829 B16R1.1570 CC(COc1ccccc1)N[C@H](C)CCO 899ad0d1650b2818b427fd632081b799 [0,1,0,0,0,1|1,0,1]=4 4830 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 1e565b333d8534bf114a1f308b52765a [0,1,0,0,0,1|1,0,1]=4 4831 B16R1.1570 CCC[C@H](C)NC(C)COc1ccccc1 b3d063deb337df60bdc84ace1befbc94 [0,1,0,0,0,1|1,0,1]=4 4832 B16R1.1570 CN(CCc1ccccc1)CC(O)CC#N df2a8353cff1459822f202a2d69da511 [0,1,0,0,0,1|2,0,0]=4 4833 B16R1.1570 CN(CCc1ccccc1)C[C@@H](O)CC#N 6a5c792dc01b9b1e3f6c641507e9866d [0,1,0,0,0,1|2,0,0]=4 4834 B16R1.1570 CN(CCc1ccccc1)C[C@H](O)CC#N b8ee89f8889b9534a9e6c513db89a009 [0,1,0,0,0,1|2,0,0]=4 4835 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 130bddd35ed1104e749e19843089771b [0,1,0,0,0,1|2,0,0]=4 4836 B16R1.1570 COCC(C)NC(C)COc1ccccc1 276c3a2eb6ebb013be862de841410f09 [0,1,0,0,0,1|2,0,0]=4 4837 B16R1.1570 COCC(C)N[C@@H](C)CCc1ccccc1 170d951c661bea1c679fe0042b05dbbe [0,1,0,0,0,1|2,0,0]=4 4838 B16R1.1570 COCC(C)N[C@H](C)CCc1ccccc1 3ee418f3fd275d7d7265f83ed4577382 [0,1,0,0,0,1|2,0,0]=4 4839 B16R1.1570 COC[C@@H](C)NC(C)COc1ccccc1 69105260c73bb16231f20deef1fa8d4e [0,1,0,0,0,1|2,0,0]=4 4840 B16R1.1570 COC[C@H](C)NC(C)COc1ccccc1 07edbf7aafac39e060e86227ac5eb196 [0,1,0,0,0,1|2,0,0]=4 4841 B16R1.1570 C[C@@H](CCc1ccccc1)NC(=O)CC#N fa5e357eb88797136f443e3f5e8a4974 [0,1,0,0,0,1|0,0,1]=3 4842 B16R1.1570 C[C@@H](CCc1ccccc1)NC(=S)NC#N fe6aa6f5c314a0dc44d1f4ad9fe4fa39 [0,1,0,0,0,1|1,0,1]=4 4843 B16R1.1570 C[C@H](CCc1ccccc1)NC(=O)CC#N f77e38a54fae5f8a13e543fbe99bf6a5 [0,1,0,0,0,1|0,0,1]=3 4844 B16R1.1570 C[C@H](CCc1ccccc1)NC(=S)NC#N 3349bed908eab912f24398bf87892f4c [0,1,0,0,0,1|1,0,1]=4 4845 B16R1.1696 C#CCCNC(C)COc1ccccc1Br b40cac9495b2026633de92e6d39ac004 [0,1,0,0,0,1|1,0,0]=3 4846 B16R1.1696 C#CCCNC(C)COc1ccccc1C 509f2cf9e37a0af39cec4255b9e957ca [0,1,0,0,0,1|1,0,0]=3 4847 B16R1.1696 C#CCCOC(C)CCc1ccccc1F 2528a87cb6b50e869b42dc7945aea2d7 [0,1,0,0,0,1|2,0,0]=4 4848 B16R1.1696 C#CCCOC(C)COc1ccccc1C 291bd2091b9286e1e4da0151232f2153 [0,1,0,0,0,1|2,0,0]=4 4849 B16R1.1696 C=CCCNC(C)COc1ccccc1C 096b37b9a10fca1e8e3f40c4c5b93d67 [0,1,0,0,0,1|1,0,1]=4 4850 B16R1.1696 CC(C#Cc1ccccc1Cl)OCCC#N d3cb0b82844c0e508adb2cb5e0195c4d [0,1,0,0,0,1|1,0,1]=4 4851 B16R1.1696 CC(CCc1ccccc1F)OCCC#N 2bb3ae3ad0eef2633cc43d66324bd8b4 [0,1,0,0,0,1|1,0,0]=3 4852 B16R1.1696 CC(CCc1ccccc1F)OCSC#N afb8c82e12db0f087a1764d6d64bbd86 [0,1,0,0,0,1|2,0,0]=4 4853 B16R1.1696 CC(COc1ccccc1Br)NCCC=O 6c4418ff47306ab949c1a6f60c48dad4 [0,1,0,0,0,1|1,0,1]=4 4854 B16R1.1696 CC(COc1ccccc1Br)NCCCO 5d3ff431fd7a46fb826eb728a27b8970 [0,1,0,0,0,1|1,0,1]=4 4855 B16R1.1696 CCCCNC(C)COc1ccccc1C dd401734a284eee0bf780300f730b3aa [0,1,0,0,0,1|1,0,1]=4 4856 B16R1.1696 CN(CCCC#N)CCc1ccccc1Cl 115fdd06b6ec535f0e26515c4ffb717c [0,1,0,0,0,1|2,0,0]=4 4857 B16R1.1696 CN(CCCC#N)CCc1ccccc1F 4f1a502a104832103f4a79b2580e182a [0,1,0,0,0,1|2,0,0]=4 4858 B16R1.1696 COCCNC(C)COc1ccccc1Br 3cbdf25d8b1a5ab4820d980d27a51058 [0,1,0,0,0,1|2,0,0]=4 4859 B16R1.1696 COCCNC(C)COc1ccccc1C 65e92fb612668ce4b7fcbbb1e906c45f [0,1,0,0,0,1|2,0,0]=4 4860 B16R1.1696 CSCCNC(C)COc1ccccc1C dbd326a8d9cc1f0d97c2b97e1d09f453 [0,1,0,0,0,1|2,0,0]=4 4861 B16R1.1696 Cc1ccccc1C#CC(C)OCCC#N b9ecc6df816a957e1e39dfc7bfb59731 [0,1,0,0,0,1|1,0,1]=4 4862 B16R1.1696 Cc1ccccc1CCC(=O)NCCC#N 41b2e8ad22e48dc1232b7c45cfa615c3 [0,1,0,0,0,1|1,0,1]=4 4863 B16R1.1696 Cc1ccccc1CCN(C)CCCC#N 240d14721811d8c466288c9e0ec2f487 [0,1,0,0,0,1|2,0,0]=4 4864 B16R1.1696 Cc1ccccc1CNC(=S)NCCC#N 6b0df29072ccce370b76fcd26e489d37 [0,1,0,0,0,1|1,0,1]=4 4865 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N c433b6b9873dadd557b8a3a2d4bfb447 [0,1,0,0,0,1|1,0,1]=4 4866 B16R1.1696 Cc1ccccc1OCC(C)NCCC#N f1bd44e62fb3bfefa5ccfd14e04aefdd [0,1,0,0,0,1|0,0,0]=2 4867 B16R1.1696 Cc1ccccc1OCC(C)NCCC=O 5e76f2316ad3a45d55f25aea3cb4b437 [0,1,0,0,0,1|1,0,1]=4 4868 B16R1.1696 Cc1ccccc1OCC(C)NCCCF 8beee56f2f32434689666c576921d9d5 [0,1,0,0,0,1|1,0,1]=4 4869 B16R1.1696 Cc1ccccc1OCC(C)NCCCO 300c7a36187bc99b0e127e5937a078f0 [0,1,0,0,0,1|1,0,1]=4 4870 B16R1.1696 Cc1ccccc1OCC(C)NCCCS b1605f196fda59089ab89adba99a8567 [0,1,0,0,0,1|1,0,1]=4 4871 B16R1.1696 Cc1ccccc1OCC(C)OCCC#N fab9742dc863a8ce577a822df8939167 [0,1,0,0,0,1|1,0,0]=3 4872 B16R1.1696 Cc1ccccc1OCC(C)OCSC#N c4230a9807674bd069ac24625c3d2398 [0,1,0,0,0,1|2,0,0]=4 4873 B16R1.1696 Cc1ccccc1SCC(=O)NCCC#N 849fa880a624e40408c8f1c6ffc998e2 [0,1,0,0,0,1|1,0,1]=4 4874 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Br c5bc37f98c2a31c4f50f9b1625a58e60 [0,1,0,0,0,1|1,0,1]=4 4875 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl 42bb99d95027d90b28c5f8eb74f32d65 [0,1,0,0,0,1|1,0,1]=4 4876 B16R1.1696 N#CCCNC(=O)CCc1ccccc1F 7a32dcec56dcc8139520ff08e975f6ee [0,1,0,0,0,1|1,0,1]=4 4877 B16R1.1696 N#CCCNC(=O)CCc1ccccc1I f0af0d600eb080837ea2f0f923e68fe9 [0,1,0,0,0,1|1,0,1]=4 4878 B16R1.1696 N#CCCNC(=O)CCc1ccccc1O b1638e49e1a5188fec113c1eb528ddf2 [0,1,0,0,0,1|1,0,1]=4 4879 B16R1.1696 N#CCCNC(=O)CNc1ccccc1F abf84bfc9b04a63f316559bddee1296d [0,1,0,0,0,1|1,0,1]=4 4880 B16R1.1696 N#CCCNC(=O)CNc1ccccc1I 84e451bd184395c65180c3cf79ae8104 [0,1,0,0,0,1|1,0,1]=4 4881 B16R1.1696 N#CCCNC(=O)COc1ccccc1Br 75455be86042aeae093572610382be80 [0,1,0,0,0,1|1,0,1]=4 4882 B16R1.1696 N#CCCNC(=O)COc1ccccc1Cl d164a7e37b408dd9288e57847c51467a [0,1,0,0,0,1|1,0,1]=4 4883 B16R1.1696 N#CCCNC(=O)COc1ccccc1F b07880b164aa5d2ab3cc2b5ba494b3c3 [0,1,0,0,0,1|1,0,1]=4 4884 B16R1.1696 N#CCCNC(=O)COc1ccccc1I bdb2bafabccb8030f31edb37a1136ae5 [0,1,0,0,0,1|1,0,1]=4 4885 B16R1.1696 N#CCCNC(=O)COc1ccccc1O 392ad0316ab7e65ae62a50c2134ddb60 [0,1,0,0,0,1|1,0,1]=4 4886 B16R1.1696 N#CCCNC(=O)COc1ccccc1S bd5d80509f95ab14283ecf926dd2a553 [0,1,0,0,0,1|1,0,1]=4 4887 B16R1.1696 N#CCCNC(=O)CSc1ccccc1Br 417112db9e50998a9c4484caed5567a1 [0,1,0,0,0,1|1,0,1]=4 4888 B16R1.1696 N#CCCNC(=O)CSc1ccccc1Cl 8685cbbd9e2e6014a3ea674cc6c52f4d [0,1,0,0,0,1|1,0,1]=4 4889 B16R1.1696 N#CCCNC(=O)CSc1ccccc1O 100ab1b2d0227be8fc52f88de59f5fb9 [0,1,0,0,0,1|1,0,1]=4 4890 B16R1.1696 N#CCCNC(=O)NCc1ccccc1Cl 92c2f9214bb407b4da63dc3520a5d3a4 [0,1,0,0,0,1|1,0,1]=4 4891 B16R1.1696 N#CCCNC(=O)NCc1ccccc1F 37af25c18597cd5370bc5a8432138745 [0,1,0,0,0,1|1,0,1]=4 4892 B16R1.1696 N#CCCNC(=O)NCc1ccccc1I 4b085a7e3ebf88e0c3859a0ccc8810f4 [0,1,0,0,0,1|1,0,1]=4 4893 B16R1.1696 N#CCCNC(=O)NCc1ccccc1O 28acfb9cb6819499464318563c6c3238 [0,1,0,0,0,1|1,0,1]=4 4894 B16R1.1696 N#CCCNC(=S)NCc1ccccc1Br a1a46c8eda23816066248e9c5e1c8e4b [0,1,0,0,0,1|1,0,1]=4 4895 B16R1.1696 N#CCCNC(=S)NCc1ccccc1Cl 6898da4b7a60007b90f82123edb70e5c [0,1,0,0,0,1|1,0,1]=4 4896 B16R1.1696 N#CCCNC(=S)NCc1ccccc1F 9b5a0ffc56ab2a6b6dd4620e49a4cde4 [0,1,0,0,0,1|1,0,1]=4 4897 B16R1.1696 N#CCCNC(=S)NCc1ccccc1I ffe27f1c50532085b7cdb97379a31cdd [0,1,0,0,0,1|1,0,1]=4 4898 B16R1.1696 N#CCCNC(=S)NCc1ccccc1O ad77fe7dfd104dedd1504890ec2a9a0a [0,1,0,0,0,1|1,0,1]=4 4899 B16R1.1758 C#CCCNC(CO)CCc1ccccc1 ec46968e4000bd864981f3d8d66f6ec6 [0,1,0,0,0,1|1,0,0]=3 4900 B16R1.1758 C#CCCN[C@@H](CO)CCc1ccccc1 14a20bcdd7e5e6be9487b9617de13a89 [0,1,0,0,0,1|1,0,0]=3 4901 B16R1.1758 C#CCCN[C@H](CO)CCc1ccccc1 abf2424d3f5977b3e29b43f523b41f4c [0,1,0,0,0,1|1,0,0]=3 4902 B16R1.1758 C#CCCOC(CF)COc1ccccc1 646c5345d72143acf1bb99c217fdb2c8 [0,1,0,0,0,1|2,0,0]=4 4903 B16R1.1758 C=CCCNC(CO)CCc1ccccc1 c7172e4df38429facfbfdc1378cdbc91 [0,1,0,0,0,1|1,0,1]=4 4904 B16R1.1758 C=CCCN[C@@H](CO)CCc1ccccc1 42174ff408272ebe70723bb69fbd6cdb [0,1,0,0,0,1|1,0,1]=4 4905 B16R1.1758 C=CCCN[C@H](CO)CCc1ccccc1 39cf7a7619da2f90ad6c6cf255af35d2 [0,1,0,0,0,1|1,0,1]=4 4906 B16R1.1758 CCC(C#Cc1ccccc1)OCCC#N 30a457d4d9293677385689d9bee926b7 [0,1,0,0,0,1|1,0,1]=4 4907 B16R1.1758 CCCCNC(CO)CCc1ccccc1 60850893570a460ddbf7e20d9f75e3f2 [0,1,0,0,0,1|1,0,1]=4 4908 B16R1.1758 CCCCN[C@@H](CO)CCc1ccccc1 ee8aee1707065246c3ca824185fe4fa5 [0,1,0,0,0,1|1,0,1]=4 4909 B16R1.1758 CCCCN[C@H](CO)CCc1ccccc1 ca9f6d3736800ffd0aa8ef9950f1c97c [0,1,0,0,0,1|1,0,1]=4 4910 B16R1.1758 COCCNC(CO)CCc1ccccc1 73ce3aedce90f32383ed127eb049bf37 [0,1,0,0,0,1|2,0,0]=4 4911 B16R1.1758 COCCN[C@@H](CO)CCc1ccccc1 9040d78c9da99579a7fca81649212e16 [0,1,0,0,0,1|2,0,0]=4 4912 B16R1.1758 COCCN[C@H](CO)CCc1ccccc1 428392f5fc14946ca254ca363fad777c [0,1,0,0,0,1|2,0,0]=4 4913 B16R1.1758 CSCCNC(CO)CCc1ccccc1 af1801f1b8900b759adc9d5cb2839e91 [0,1,0,0,0,1|2,0,0]=4 4914 B16R1.1758 CSCCN[C@@H](CO)CCc1ccccc1 660249cef5c665e19f63c4913858ec2a [0,1,0,0,0,1|2,0,0]=4 4915 B16R1.1758 CSCCN[C@H](CO)CCc1ccccc1 90f81061779f14f03a10d905bae63dc7 [0,1,0,0,0,1|2,0,0]=4 4916 B16R1.1758 N#CCCNC(CO)CCc1ccccc1 03ede3df7c445cd2f1fde543273d30c9 [0,1,0,0,0,1|0,0,0]=2 4917 B16R1.1758 N#CCCN[C@@H](CO)CCc1ccccc1 ce3753287dc463ac2242d56533785a59 [0,1,0,0,0,1|0,0,0]=2 4918 B16R1.1758 N#CCCN[C@H](CO)CCc1ccccc1 892ec70c4ffa43ff3e6b106168f86449 [0,1,0,0,0,1|0,0,0]=2 4919 B16R1.1758 N#CCCOC(CF)COc1ccccc1 cfa469c8320fa2689b94ddfb0c830bb9 [0,1,0,0,0,1|1,0,0]=3 4920 B16R1.1758 N#CSCNC(CO)CCc1ccccc1 33c2c27c4943730570342db65772b762 [0,1,0,0,0,1|1,0,0]=3 4921 B16R1.1758 N#CSCN[C@@H](CO)CCc1ccccc1 4fefa8d42eb186d14f28d6c8cb4433c3 [0,1,0,0,0,1|1,0,0]=3 4922 B16R1.1758 N#CSCN[C@H](CO)CCc1ccccc1 3c2fcbba335c535d973030d48ce0f2fb [0,1,0,0,0,1|1,0,0]=3 4923 B16R1.1758 N#CSCOC(CF)COc1ccccc1 52860fe6eead607d08f394d26ed4b46e [0,1,0,0,0,1|2,0,0]=4 4924 B16R1.1758 O=CCCNC(CO)CCc1ccccc1 fb0a01f707d95886222823657e14fa97 [0,1,0,0,0,1|1,0,1]=4 4925 B16R1.1758 O=CCCN[C@@H](CO)CCc1ccccc1 e2eeb54948e53a62feae37e0619fbb97 [0,1,0,0,0,1|1,0,1]=4 4926 B16R1.1758 O=CCCN[C@H](CO)CCc1ccccc1 fb90cfd401320da65410e1854eeda083 [0,1,0,0,0,1|1,0,1]=4 4927 B16R1.1758 OCC(CCc1ccccc1)NCCCF e2f8e2b98cb5ce06742324610cb0407c [0,1,0,0,0,1|1,0,1]=4 4928 B16R1.1758 OCC(CCc1ccccc1)NCCCS 7bfc3234197b2868f370b6ee218aca09 [0,1,0,0,0,1|1,0,1]=4 4929 B16R1.1758 OCCCNC(CO)CCc1ccccc1 bff7465405ed42869df09c29ffb173ea [0,1,0,0,0,1|1,0,1]=4 4930 B16R1.1758 OCCCN[C@@H](CO)CCc1ccccc1 0c811bf7f84db69e268cb5c0de9161ed [0,1,0,0,0,1|1,0,1]=4 4931 B16R1.1758 OCCCN[C@H](CO)CCc1ccccc1 a2d2492d2f7ea957c3830e67d849754b [0,1,0,0,0,1|1,0,1]=4 4932 B16R1.1758 OC[C@@H](CCc1ccccc1)NCCCF e33750adb5d9ae1700c3ccc0ec9b57da [0,1,0,0,0,1|1,0,1]=4 4933 B16R1.1758 OC[C@@H](CCc1ccccc1)NCCCS 3bc7322c790bd2e1f49733c585270bc2 [0,1,0,0,0,1|1,0,1]=4 4934 B16R1.1758 OC[C@H](CCc1ccccc1)NCCCF a280d9948bf9722edacc039b368a6d56 [0,1,0,0,0,1|1,0,1]=4 4935 B16R1.1758 OC[C@H](CCc1ccccc1)NCCCS 973361eeabe60f5456f41e9e00a4ad1f [0,1,0,0,0,1|1,0,1]=4 4936 B16R1.20527 CC(C)(CNCC#N)SCc1ccccc1 d4b5b94411c16ba55a3319e777918612 [0,1,0,0,0,1|2,0,0]=4 4937 B16R1.20527 CC(C)(COCC#N)OCc1ccccc1 59d17e2c291bec6a22e0eeab2b14faac [0,1,0,0,0,1|2,0,0]=4 4938 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)F f113788c016e89d3a39e01b2513549f0 [0,2,0,0,0,0|1,0,0]=3 4939 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)Br 3c5fe5996d314bed758463df803153b1 [0,2,0,0,0,0|2,0,0]=4 4940 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)C 88a0c161633980f33d4cd798918a0ca1 [0,2,0,0,0,0|2,0,0]=4 4941 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)Cl c39194042b9931ef7b72049ef675ab82 [0,2,0,0,0,0|2,0,0]=4 4942 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)F ff86e9f4f6f9600ce3736655db1bbf25 [0,2,0,0,0,0|2,0,0]=4 4943 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)C 69426f8c4303558c2123f81bb881e9f7 [0,2,0,0,0,0|2,0,0]=4 4944 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)Cl c0894b221d608da565962fd3b606004a [0,2,0,0,0,0|2,0,0]=4 4945 B16R1.54 C#CCCNCC(C)Oc1ccc(cc1)F bf89b8527c5cf6a79d398240eb61cffa [0,2,0,0,0,0|2,0,0]=4 4946 B16R1.54 C#CCCOCC(C)Cc1ccc(cc1)C 4a2f23e293958eba91babd0e10f842a4 [0,2,0,0,0,0|2,0,0]=4 4947 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)F 44dc26cd2f0ee6bd484ac1e8521138dd [0,2,0,0,0,0|1,0,1]=4 4948 B16R1.54 C=COCCNC(C)Cc1ccc(cc1)F bf507c0cef9ee98e33ce5be2b57c187b [0,2,0,0,0,0|1,0,1]=4 4949 B16R1.54 CC#CCCOC(C)Cc1ccc(cc1)F 824dc2c0d42f145d966399ab68aa2e6d [0,2,0,0,0,0|2,0,0]=4 4950 B16R1.54 CC(CNCCC#N)Oc1ccc(cc1)Cl e50ebbcbb3a4b5653a216ce7341759d6 [0,2,0,0,0,0|1,0,0]=3 4951 B16R1.54 CC(CNCCC#N)Oc1ccc(cc1)F 35ca27facf48e5a57af73c37a719b7e9 [0,2,0,0,0,0|1,0,0]=3 4952 B16R1.54 CC(CNCSC#N)Oc1ccc(cc1)Cl 21b6d756f858879d14e2532cdad3e115 [0,2,0,0,0,0|2,0,0]=4 4953 B16R1.54 CC(CNCSC#N)Oc1ccc(cc1)F c594b8158beed7ba08098954c7d8475f [0,2,0,0,0,0|2,0,0]=4 4954 B16R1.54 CC(COCCC#N)Oc1ccc(cc1)F 3926d10cee75cbb493cab235e1dba3b0 [0,2,0,0,0,0|2,0,0]=4 4955 B16R1.54 CC(Cc1ccc(cc1)Br)OCC=CC#N 42f50cc9e8f4333668703176a2e393f7 [0,2,0,0,0,0|1,0,1]=4 4956 B16R1.54 CC(Cc1ccc(cc1)Br)OCCCC#N 1f7df5ce0fab4ff05d2cf2d9f795bc4b [0,2,0,0,0,0|1,0,0]=3 4957 B16R1.54 CC(Cc1ccc(cc1)Cl)OCC=CC#N 1b27dfe209e73579f086b309a24dfdef [0,2,0,0,0,0|1,0,1]=4 4958 B16R1.54 CC(Cc1ccc(cc1)Cl)OCCCC#N 833308139aa8a52c9ed2ca2f3b0716c0 [0,2,0,0,0,0|1,0,0]=3 4959 B16R1.54 CC(Cc1ccc(cc1)F)NCC#CCO 66ddee396433024887756bcca7d4688b [0,2,0,0,0,0|1,0,1]=4 4960 B16R1.54 CC(Cc1ccc(cc1)F)NCCCC#N ef6e4bdd0f4bb1ae8bfd6682f5c301ae [0,2,0,0,0,0|0,0,0]=2 4961 B16R1.54 CC(Cc1ccc(cc1)F)NCCCCCl 5daa61d70b3943a23c89196e8c3a5a53 [0,2,0,0,0,0|1,0,1]=4 4962 B16R1.54 CC(Cc1ccc(cc1)F)NCCCCO 9ab6330da21278e87aeab55ffdd14467 [0,2,0,0,0,0|1,0,1]=4 4963 B16R1.54 CC(Cc1ccc(cc1)F)NCCCCS daa88cdcccd6715420369cf12317dda9 [0,2,0,0,0,0|1,0,1]=4 4964 B16R1.54 CC(Cc1ccc(cc1)F)OCC=CC#N 0133c39caf560d2b8d1c8e06cdd3e379 [0,2,0,0,0,0|1,0,1]=4 4965 B16R1.54 CC(Cc1ccc(cc1)F)OCCCC#N 9c7f2ba74f320fbf1bb772561cda9e1c [0,2,0,0,0,0|1,0,0]=3 4966 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)F cdcda167e07fe8b6923ea8e8dfb19a0a [0,2,0,0,0,0|1,0,1]=4 4967 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)F f69efb78b5a287fef7bbea78ff4a10fe [0,2,0,0,0,0|1,0,1]=4 4968 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)Br bed269342514cab3740d54a6ac0d5c08 [0,2,0,0,0,0|2,0,0]=4 4969 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)Cl d5b445c9bfd93f72b37d8694b89781c1 [0,2,0,0,0,0|2,0,0]=4 4970 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)F dcbcff4f9d960ecc1ca17d727529da56 [0,2,0,0,0,0|2,0,0]=4 4971 B16R1.54 CN(CCCCC#N)Cc1ccc(cc1)I 596fbe5c8e25750256beba95bd2bc973 [0,2,0,0,0,0|2,0,0]=4 4972 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)Br eb7b1d7ef5f89ce9dac74fa87a28882e [0,2,0,0,0,0|2,0,0]=4 4973 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)Cl 511cf0a4c6c6307fb24cce2e5e3a8c65 [0,2,0,0,0,0|2,0,0]=4 4974 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)F a7a787b9c8fd2bf6e991a5ea82ea9c72 [0,2,0,0,0,0|2,0,0]=4 4975 B16R1.54 CN(CCOCC#N)Cc1ccc(cc1)I 630aeb588fa9603aae896b4a90e616e7 [0,2,0,0,0,0|2,0,0]=4 4976 B16R1.54 COCCCNC(C)Cc1ccc(cc1)F de0fc529e37e929e00c6cf354e731f63 [0,2,0,0,0,0|1,0,1]=4 4977 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)F 9d3be7f789a20d399ec7e7c4db39fec1 [0,2,0,0,0,0|1,0,1]=4 4978 B16R1.54 Cc1ccc(cc1)CC(=O)NCCCC#N 15dc69df6151e3b9050073bc80eec150 [0,2,0,0,0,0|1,0,1]=4 4979 B16R1.54 Cc1ccc(cc1)CC(C)COCCC#N 607c4b13f7d611e951e5a3b707a1adaa [0,2,0,0,0,0|1,0,0]=3 4980 B16R1.54 Cc1ccc(cc1)CC(C)COCSC#N 482822818ef8ac8e481faeb8b1a6fe7a [0,2,0,0,0,0|2,0,0]=4 4981 B16R1.54 Cc1ccc(cc1)CC(C)OCC=CC#N 7d7e9b809f93c337c569f163d385f169 [0,2,0,0,0,0|1,0,1]=4 4982 B16R1.54 Cc1ccc(cc1)CC(C)OCCCC#N 017b815fa9df10649005b6ecc1f76ef3 [0,2,0,0,0,0|1,0,0]=3 4983 B16R1.54 Cc1ccc(cc1)CN(C)CCCCC#N b9c683c9075539c0d27df9c56f280c8d [0,2,0,0,0,0|2,0,0]=4 4984 B16R1.54 Cc1ccc(cc1)CN(C)CCOCC#N 2f7f665caa5369c4ae647031070fb699 [0,2,0,0,0,0|2,0,0]=4 4985 B16R1.54 Cc1ccc(cc1)OC(C)CNCCC#N 48bbe6ad59f020678ed7efdb4e30c166 [0,2,0,0,0,0|1,0,0]=3 4986 B16R1.54 Cc1ccc(cc1)OC(C)CNCSC#N 169cd826083461c232fe2eb17d992861 [0,2,0,0,0,0|2,0,0]=4 4987 B16R1.54 N#CCCCNC(=O)Cc1ccc(cc1)Br d79ccc0c6b926b5d7e825c2123e44fa9 [0,2,0,0,0,0|1,0,1]=4 4988 B16R1.54 N#CCCCNC(=O)Cc1ccc(cc1)Cl ac7aa20e4dee3779f4ea64affba1c5c1 [0,2,0,0,0,0|1,0,1]=4 4989 B16R1.54 N#CCCCNC(=O)Cc1ccc(cc1)F bbbd4c7f119d3da3f8f1faa44ad07db2 [0,2,0,0,0,0|1,0,1]=4 4990 B16R1.54 N#CCCCNC(=O)Cc1ccc(cc1)I e12dc568307fec9fd7256ec3ee49dfd6 [0,2,0,0,0,0|1,0,1]=4 4991 B16R1.54 N#CCCCNC(=O)Cc1ccc(cc1)O d1cfdd1b0a4ad99b014d1dff4815c2ee [0,2,0,0,0,0|1,0,1]=4 4992 B16R1.54 N#CCCCNC(=O)Cc1ccc(cc1)S 4b31bcae2c40168ae65f7a29834b4fc1 [0,2,0,0,0,0|1,0,1]=4 4993 B16R1.55 C#CCCCNC(C)Cc1cccc(c1)F f4c5ff232d5b5d455d1735a8a188e0cd [0,2,0,0,0,0|1,0,0]=3 4994 B16R1.55 C#CCCCN[C@@H](C)Cc1cccc(c1)Cl f596c63a2710d940b901dda9ff304280 [0,2,0,0,0,0|1,0,0]=3 4995 B16R1.55 C#CCCCOC(C)Cc1cccc(c1)C cf53732eea45594920237e04ad8a7291 [0,2,0,0,0,0|2,0,0]=4 4996 B16R1.55 C#CCCCOC(C)Cc1cccc(c1)Cl b512500b0fae6c5c606c40682a3c8150 [0,2,0,0,0,0|2,0,0]=4 4997 B16R1.55 C#CCCCOC(C)Cc1cccc(c1)F b2f4be77594f538b8fbc15361ec1029e [0,2,0,0,0,0|2,0,0]=4 4998 B16R1.55 C#CCCNCC(O)Cc1cccc(c1)C 637e07c9a6995d2b3d83139aa8222977 [0,2,0,0,0,0|2,0,0]=4 4999 B16R1.55 C#CCCOCC(C)Cc1cccc(c1)C f3e7e1405dc4a4cd2c3437b3583d0f00 [0,2,0,0,0,0|2,0,0]=4 5000 B16R1.55 C#CCCOCC(C)Cc1cccc(c1)F 2c257b3621c4f194a95bf75523d6c6a3 [0,2,0,0,0,0|2,0,0]=4 5001 B16R1.55 C=CCCCNC(C)Cc1cccc(c1)F ebd4d930a0d185352c2c111ca3035810 [0,2,0,0,0,0|1,0,1]=4 5002 B16R1.55 C=CCCCN[C@@H](C)Cc1cccc(c1)Cl c74f3dede681b4e026d455a6c722cf7e [0,2,0,0,0,0|1,0,1]=4 5003 B16R1.55 C=COCCNC(C)Cc1cccc(c1)F dc392c46943e7607ab1f44fa7b6dcb9b [0,2,0,0,0,0|1,0,1]=4 5004 B16R1.55 CC#CCCOC(C)Cc1cccc(c1)F 5f95446abbb7918fcd2013cf25ec0480 [0,2,0,0,0,0|2,0,0]=4 5005 B16R1.55 CC(COCCC#N)Cc1cccc(c1)F 8e60444444849f4addb5c96f68d91018 [0,2,0,0,0,0|1,0,0]=3 5006 B16R1.55 CC(COCCC#N)Oc1cccc(c1)Br 4f6b424085b1c6482e1b45b19d1d0e75 [0,2,0,0,0,0|2,0,0]=4 5007 B16R1.55 CC(COCSC#N)Cc1cccc(c1)F 6d6246823591ede2c4d1a8f7a315513d [0,2,0,0,0,0|2,0,0]=4 5008 B16R1.55 CC(Cc1cccc(c1)Cl)OCC=CC#N b0334585f478e0e53972b0afa1a01634 [0,2,0,0,0,0|1,0,1]=4 5009 B16R1.55 CC(Cc1cccc(c1)Cl)OCCCC#N 54c11e4580bbb1a7b93578b124aa6b3d [0,2,0,0,0,0|1,0,0]=3 5010 B16R1.55 CC(Cc1cccc(c1)F)NCC#CCO ad26b772fb1f827c6d7a3038914fd6e3 [0,2,0,0,0,0|1,0,1]=4 5011 B16R1.55 CC(Cc1cccc(c1)F)NCCCC#N 52c4931bc0befdc3de166aea5b127bff [0,2,0,0,0,0|0,0,0]=2 5012 B16R1.55 CC(Cc1cccc(c1)F)NCCCCCl f6d4197f80c5a56b8b687b16bc708c78 [0,2,0,0,0,0|1,0,1]=4 5013 B16R1.55 CC(Cc1cccc(c1)F)NCCCCO a92d662a2c2ef14317f7dc113a912f1d [0,2,0,0,0,0|1,0,1]=4 5014 B16R1.55 CC(Cc1cccc(c1)F)NCCCCS 565bdb0a19955925a31a2321f73b7af6 [0,2,0,0,0,0|1,0,1]=4 5015 B16R1.55 CC(Cc1cccc(c1)F)OCC=CC#N bc5c0f32ef08913c883cbde632d819fe [0,2,0,0,0,0|1,0,1]=4 5016 B16R1.55 CC(Cc1cccc(c1)F)OCCCC#N 71a085af949603c18c6fafd15eb95cf4 [0,2,0,0,0,0|1,0,0]=3 5017 B16R1.55 CC(Cc1cccc(n1)F)OCCCC#N 63f3811403841d90b0a757c2ff30e83d [0,2,0,0,0,0|2,0,0]=4 5018 B16R1.55 CCCCCNC(C)Cc1cccc(c1)F 6afbd00f0eff5666c27a5b8d86880fd9 [0,2,0,0,0,0|1,0,1]=4 5019 B16R1.55 CCCCCN[C@@H](C)Cc1cccc(c1)Cl 5ac65f0ad345326397cc72e3d9bd8eee [0,2,0,0,0,0|1,0,1]=4 5020 B16R1.55 CCOCCNC(C)Cc1cccc(c1)F 0f882b93b13791ec229ce224f0183c64 [0,2,0,0,0,0|1,0,1]=4 5021 B16R1.55 CCOCCN[C@@H](C)Cc1cccc(c1)Cl 668918a16a35618852475de10fc3c7ab [0,2,0,0,0,0|1,0,1]=4 5022 B16R1.55 CCSCCNC(C)Cc1cccc(c1)F 166b704fee807752eb73bce6a0515a25 [0,2,0,0,0,0|1,0,1]=4 5023 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)Br a9f6e8e4c0ee092d0c3e5cc9e5a86256 [0,2,0,0,0,0|2,0,0]=4 5024 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)Cl c525da785d788b6fd64f1e471e6b25c6 [0,2,0,0,0,0|2,0,0]=4 5025 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)F f8e80070885c66ce8df62ae6da5920fa [0,2,0,0,0,0|2,0,0]=4 5026 B16R1.55 CN(CCCCC#N)Cc1cccc(c1)I 7e1f2f2299c80da0827b6295fd548f9f [0,2,0,0,0,0|2,0,0]=4 5027 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)Br da24a2adf2e0af55921e8f14a82ac74d [0,2,0,0,0,0|2,0,0]=4 5028 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)Cl a12cda934d5486e832f0364e34e462c9 [0,2,0,0,0,0|2,0,0]=4 5029 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)F 7df81c10dfd12f5cec0eab377526af68 [0,2,0,0,0,0|2,0,0]=4 5030 B16R1.55 CN(CCOCC#N)Cc1cccc(c1)I d660ab471575eaff0ced648aafb23a13 [0,2,0,0,0,0|2,0,0]=4 5031 B16R1.55 COCCCNC(C)Cc1cccc(c1)F f7ad84af0fbeec6e94e19f9f1a681998 [0,2,0,0,0,0|1,0,1]=4 5032 B16R1.55 COCCCN[C@@H](C)Cc1cccc(c1)Cl 2d92b07a6c5d7cabd71247986224a434 [0,2,0,0,0,0|1,0,1]=4 5033 B16R1.55 CSCCCNC(C)Cc1cccc(c1)F 8fb449d85021ad6d73e3d6b198d16a89 [0,2,0,0,0,0|1,0,1]=4 5034 B16R1.55 CSCCCN[C@@H](C)Cc1cccc(c1)Cl 5a386c06c15006154cf3eba545d6b17a [0,2,0,0,0,0|1,0,1]=4 5035 B16R1.55 C[C@@H](Cc1cccc(c1)Cl)NCC=CC#N 862fdbfe2dbb605f211ae9971ca8d86d [0,2,0,0,0,0|0,0,1]=3 5036 B16R1.55 C[C@@H](Cc1cccc(c1)Cl)NCCCC#N 1a487f59d63e524f9f3fd9292314bfed [0,2,0,0,0,0|0,0,0]=2 5037 B16R1.55 C[C@@H](Cc1cccc(c1)Cl)NCCCC=O 1977882ab5f01497594bbe30aa637682 [0,2,0,0,0,0|1,0,1]=4 5038 B16R1.55 C[C@@H](Cc1cccc(c1)Cl)NCCCCF 342bb0ff02d28c883eb9e8136ad953b9 [0,2,0,0,0,0|1,0,1]=4 5039 B16R1.55 C[C@@H](Cc1cccc(c1)Cl)NCCCCO 7293d9551df0d3ba81858d6a48888d53 [0,2,0,0,0,0|1,0,1]=4 5040 B16R1.55 Cc1cccc(c1)CC(=O)NCCCC#N bf88965075b54463f4b1c28dae44aa85 [0,2,0,0,0,0|1,0,1]=4 5041 B16R1.55 Cc1cccc(c1)CC(C)COCCC#N b0897fdd5acbde22a71f5573648c44ee [0,2,0,0,0,0|1,0,0]=3 5042 B16R1.55 Cc1cccc(c1)CC(C)OCC=CC#N 5a6c7bcd7f632c4475b5f82ec0118f25 [0,2,0,0,0,0|1,0,1]=4 5043 B16R1.55 Cc1cccc(c1)CC(C)OCCCC#N 26667e054799f97a8cf861dbcdf9d4bf [0,2,0,0,0,0|1,0,0]=3 5044 B16R1.55 Cc1cccc(c1)CC(O)CNCCC#N 8712ff93e5fa2e852e2e97cd126aa61c [0,2,0,0,0,0|1,0,0]=3 5045 B16R1.55 Cc1cccc(c1)CC(O)CNCSC#N 585e468abfc882f8e22535f014e31013 [0,2,0,0,0,0|2,0,0]=4 5046 B16R1.55 Cc1cccc(c1)CN(C)CCCCC#N 7da17ea49f796310293852371b6e4941 [0,2,0,0,0,0|2,0,0]=4 5047 B16R1.55 Cc1cccc(c1)CN(C)CCOCC#N 21351edcfcef8d87831e3cd208aa98f2 [0,2,0,0,0,0|2,0,0]=4 5048 B16R1.55 Cc1cccc(n1)CC(C)OCCCC#N 21cded11a5a536a41652281179d84d6b [0,2,0,0,0,0|2,0,0]=4 5049 B16R1.55 Cc1ccnc(c1)CC(C)OCCCC#N 57ab7ab9c96f440d5064683e06311ea4 [0,2,0,0,0,0|2,0,0]=4 5050 B16R1.55 N#CCCCNC(=O)Cc1cccc(c1)Br 3120c1536a78840af38bfac946955e35 [0,2,0,0,0,0|1,0,1]=4 5051 B16R1.55 N#CCCCNC(=O)Cc1cccc(c1)Cl ff395263eced98d007760d712930153f [0,2,0,0,0,0|1,0,1]=4 5052 B16R1.55 N#CCCCNC(=O)Cc1cccc(c1)F 02df46ec5ec3a249db1ff92b73d37ea5 [0,2,0,0,0,0|1,0,1]=4 5053 B16R1.55 N#CCCCNC(=O)Cc1cccc(c1)I 9ca62fbc2b8dbff00d1c7b10898493a5 [0,2,0,0,0,0|1,0,1]=4 5054 B16R1.55 N#CCCCNC(=O)Cc1cccc(c1)O 9bb13cc8b76a5f4f524231f48bc4cfc2 [0,2,0,0,0,0|1,0,1]=4 5055 B16R1.55 N#CCCCNC(=O)Cc1cccc(c1)S 73e049730ddb997121b0e8807863cd3c [0,2,0,0,0,0|1,0,1]=4 5056 B16R1.55 N#CCCNCC(=O)Cc1cccc(c1)Br 4704f1c0bc1d9a0f68a79588e15ad604 [0,2,0,0,0,0|1,0,1]=4 5057 B16R1.610 CC(C)CCCNC(C)Cc1ccccc1 f4db2c5aef7cb83e1908a046b968b500 [0,2,0,0,0,0|1,0,1]=4 5058 B16R1.610 CC(Cc1ccccc1)NCC#CC(=O)O e357becd336a18c6ef7fd3be9f4a7d65 [0,2,0,0,0,0|1,0,1]=4 5059 B16R1.610 CC(Cc1ccccc1)NCCCN(C)C 7283e6191b01759a2362e58e85303c64 [0,2,0,0,0,0|0,0,2]=4 5060 B16R1.610 CC(Cc1ccccc1)NCCNC(=S)N 49ea95c4fad7640609b65346a31e716b [0,2,0,0,0,0|0,0,2]=4 5061 B16R1.693 C#CCCCCNC(C)Cc1ccccc1 5711d3332fcae7ffa88ffb7e916ace9a [0,2,0,0,0,0|1,0,0]=3 5062 B16R1.693 C#CCCCCNC(C)Cc1ccccn1 f917672c9839c0aac7f2f02dfb344c29 [0,2,0,0,0,0|2,0,0]=4 5063 B16R1.693 C#CCCCCNC(C)Cc1cccnc1 c1b8806c98eb98a5d7e6a710f96cbcdd [0,2,0,0,0,0|2,0,0]=4 5064 B16R1.693 C#CCCCCNC(C)Cc1ccncc1 888d35d129af00014989535e7309a329 [0,2,0,0,0,0|2,0,0]=4 5065 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 46bb8df7b577e94342c17a830c1d1d6f [0,2,0,0,0,0|2,0,0]=4 5066 B16R1.693 C#CCCCCO[C@@H](C)Cc1ccccc1 9673a5135353eda9539efecce0eba3a2 [0,2,0,0,0,0|2,0,0]=4 5067 B16R1.693 C#CCCCCO[C@H](C)Cc1ccccc1 59b6e4403c6513add7dfe4a218a90b2e [0,2,0,0,0,0|2,0,0]=4 5068 B16R1.693 C#CCCCNCC(C)Oc1ccccc1 6e51036dffedf867be8cfce4237e3fac [0,2,0,0,0,0|2,0,0]=4 5069 B16R1.693 C#CCCCNCC(O)Cc1ccccc1 0f71bcf3d948c355869e927ed8e4d065 [0,2,0,0,0,0|2,0,0]=4 5070 B16R1.693 C#CCCCOCC(C)Cc1ccccc1 60ea59d7cc53254f8319b0008543adb3 [0,2,0,0,0,0|2,0,0]=4 5071 B16R1.693 C#CCCNCCN(C)Cc1ccccc1 7340ed3715a7dfa843b1186059310b38 [0,2,0,0,0,0|2,0,0]=4 5072 B16R1.693 C#CCOCCNC(C)Cc1ccccn1 4fd0f4c8cca0db932289481cf3f74382 [0,2,0,0,0,0|2,0,0]=4 5073 B16R1.693 C#CCOCCNC(C)Cc1cccnc1 550833c073924fbf665a842b1262cf29 [0,2,0,0,0,0|2,0,0]=4 5074 B16R1.693 C#CCOCCNC(C)Cc1ccncc1 cc80311cd6e29cd5bcdea96c7adfadb1 [0,2,0,0,0,0|2,0,0]=4 5075 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 122370c69247365248c45c184572c5b7 [0,2,0,0,0,0|2,0,0]=4 5076 B16R1.693 C#CCOCCO[C@@H](C)Cc1ccccc1 1f77dfebc8ddbe15a9fd36fdd338803f [0,2,0,0,0,0|2,0,0]=4 5077 B16R1.693 C#CCOCCO[C@H](C)Cc1ccccc1 5c07748b2d54ff0407a59737b6e5a71e [0,2,0,0,0,0|2,0,0]=4 5078 B16R1.693 C=C/C=C/CCNC(C)Cc1ccccc1 d66268a3c4af17f33e5151500dae3eb9 [0,2,0,0,0,0|1,0,1]=4 5079 B16R1.693 C=CCCCCNC(C)Cc1ccccc1 44a0bed08600d38c3ce58f27f7f601e3 [0,2,0,0,0,0|1,0,1]=4 5080 B16R1.693 C=COCCCNC(C)Cc1ccccc1 33434688416da006f302ab2372f31d12 [0,2,0,0,0,0|1,0,1]=4 5081 B16R1.693 CC#CCCCOC(C)Cc1ccccc1 85fc6a2777d9b055e77b1ad57f10f20c [0,2,0,0,0,0|2,0,0]=4 5082 B16R1.693 CC(CNCC=CC#N)Oc1ccccc1 4ba2d6a360e675cf5c738e3d36ccd1f0 [0,2,0,0,0,0|1,0,1]=4 5083 B16R1.693 CC(CNCCCC#N)Oc1ccccc1 0bc88d51a5b79f9914f1bdd602989d7d [0,2,0,0,0,0|1,0,0]=3 5084 B16R1.693 CC(CNCCCC#N)Oc1cccnc1 c37281646603ccd40a63bf2770b0c1f3 [0,2,0,0,0,0|2,0,0]=4 5085 B16R1.693 CC(COCC=CC#N)Cc1ccccc1 108641dc6b127633a87f4a2cf59df166 [0,2,0,0,0,0|1,0,1]=4 5086 B16R1.693 CC(COCCCC#N)Cc1ccccc1 89b1199184e8ae6ac65834a893fb014f [0,2,0,0,0,0|1,0,0]=3 5087 B16R1.693 CC(COCCCC#N)Oc1ccccc1 85eda9bb8b6e7ada05ea416031b97ed2 [0,2,0,0,0,0|2,0,0]=4 5088 B16R1.693 CC(Cc1ccccc1)NCCCCC#N d80c449fb653b933558edff85be22e21 [0,2,0,0,0,0|0,0,0]=2 5089 B16R1.693 CC(Cc1ccccc1)NCCCCCCl a07473f8aa5dbd95c88cb855f7803c6f [0,2,0,0,0,0|1,0,1]=4 5090 B16R1.693 CC(Cc1ccccc1)OCCCCC#N 352a5e6797f503bb166b41241db261ea [0,2,0,0,0,0|1,0,0]=3 5091 B16R1.693 CC(Cc1ccccc1)OCCOCC#N 2953b1455e39edab6f8fa64592244568 [0,2,0,0,0,0|1,0,0]=3 5092 B16R1.693 CC(Cc1ccccn1)NCCCCC#N e277d0e0084b1a60529697be9ada9dc0 [0,2,0,0,0,0|1,0,0]=3 5093 B16R1.693 CC(Cc1ccccn1)NCCOCC#N 5f5fbc9fbc016953c908233296ff0629 [0,2,0,0,0,0|1,0,0]=3 5094 B16R1.693 CC(Cc1ccccn1)OCCCCC#N 673827ded7ddfed08742862795a6ff89 [0,2,0,0,0,0|2,0,0]=4 5095 B16R1.693 CC(Cc1ccccn1)OCCOCC#N b62ccb44f5a861e8a3b7bd9c567f3997 [0,2,0,0,0,0|2,0,0]=4 5096 B16R1.693 CC(Cc1cccnc1)NCCCCC#N e544dd0d388855c331afd356e462d6fd [0,2,0,0,0,0|1,0,0]=3 5097 B16R1.693 CC(Cc1cccnc1)NCCOCC#N 6169b0c065bacf2741b8130df8ccf289 [0,2,0,0,0,0|1,0,0]=3 5098 B16R1.693 CC(Cc1ccncc1)NCCCCC#N 7227d5ea9ec541145a7677a32d93efdf [0,2,0,0,0,0|1,0,0]=3 5099 B16R1.693 CC(Cc1ccncc1)NCCOCC#N eb103ebe77e789016d7fd9585da5e792 [0,2,0,0,0,0|1,0,0]=3 5100 B16R1.693 CC(Cc1cnccn1)NCCCCC#N 43f772bae42427f833ab159aee05ca6f [0,2,0,0,0,0|2,0,0]=4 5101 B16R1.693 CC(Cc1cnccn1)NCCOCC#N 07d095de01a6690c4ac7f25faef46d41 [0,2,0,0,0,0|2,0,0]=4 5102 B16R1.693 CN(CCCCCC#N)Cc1ccccc1 909dc75c317cb298ea01a90d0a48eb9a [0,2,0,0,0,0|2,0,0]=4 5103 B16R1.693 CN(CCCNCC#N)Cc1ccccc1 d48a3a51545c783c06ea7619e6816550 [0,2,0,0,0,0|2,0,0]=4 5104 B16R1.693 CN(CCCOCC#N)Cc1ccccc1 58558777d77c50d69fd255452322e5e6 [0,2,0,0,0,0|2,0,0]=4 5105 B16R1.693 CN(CCNCCC#N)Cc1ccccc1 582218f9d213b4b0d9568f1377723bb4 [0,2,0,0,0,0|1,0,0]=3 5106 B16R1.693 CN(CCOCCC#N)Cc1ccccc1 007884cf967913af7e7a432a04779250 [0,2,0,0,0,0|2,0,0]=4 5107 B16R1.693 CN(CCOCSC#N)Cc1ccccc1 4962f9cec96736909c9bb79c92b02716 [0,2,0,0,0,0|2,0,0]=4 5108 B16R1.693 C[C@@H](COCCCC#N)Oc1ccccc1 2f672989e8b4aad9d495b7643b2f336e [0,2,0,0,0,0|2,0,0]=4 5109 B16R1.693 C[C@@H](Cc1ccccc1)OCCCCC#N 9d7d6b9e64069e3fa5e34fc58d5b52a3 [0,2,0,0,0,0|1,0,0]=3 5110 B16R1.693 C[C@@H](Cc1ccccc1)OCCOCC#N ebc17cb0230e871b39ae03495edd23f4 [0,2,0,0,0,0|1,0,0]=3 5111 B16R1.693 C[C@H](Cc1ccccc1)OCCCCC#N b977ddb489976b2feddab33925f6a2a5 [0,2,0,0,0,0|1,0,0]=3 5112 B16R1.693 C[C@H](Cc1ccccc1)OCCOCC#N b500609f10f5c00c9e58a369fbb184b8 [0,2,0,0,0,0|1,0,0]=3 5113 B16R1.693 N#CC=CCNCC(O)Cc1ccccc1 24529efa4ca45b002b17aa428bc71557 [0,2,0,0,0,0|1,0,1]=4 5114 B16R1.693 N#CCCCNCC(=O)Cc1ccccc1 c265d0c1ed3c07bd404f9e9552e9aafd [0,2,0,0,0,0|1,0,1]=4 5115 B16R1.693 N#CCCCNCC(O)Cc1ccccc1 40c8e5bf417b191171805cd95ab6f9b2 [0,2,0,0,0,0|1,0,0]=3 5116 B16R1.693 N#CCCOCNC(=O)Cc1ccccc1 bd351e8c109e51f728f5cfc7dc5ddada [0,2,0,0,0,0|1,0,1]=4 5117 B16R1.693 N#CCNCCNC(=O)Cc1ccccc1 d0859ae93886ff3cbf8c6d5e42fbc1e5 [0,2,0,0,0,0|1,0,1]=4 5118 B16R1.693 N#CCOCCNC(=O)Cc1ccccc1 ec4923a89faa6465871cdf76bc057720 [0,2,0,0,0,0|1,0,1]=4 5119 B16R1.693 N#CSCOCNC(=O)Cc1ccccc1 2daded885c8af0c3d2c649b72bee28c6 [0,2,0,0,0,0|1,0,1]=4 5120 B16R1.705 CC(C(=O)NCCCC#N)c1ccccc1 d5ead2669d10fcb993adf4afa276c569 [0,2,0,0,0,0|1,0,1]=4 5121 B16R1.705 C[C@@H](C(=O)NCCCC#N)c1ccccc1 6c0409f250732c41845542ce0af8f461 [0,2,0,0,0,0|1,0,1]=4 5122 B16R1.705 C[C@H](C(=O)NCCCC#N)c1ccccc1 d43e629e4c99648ae85ee56aa810eae5 [0,2,0,0,0,0|1,0,1]=4 5123 B16R1.705 N#CCCCNC(=O)C(O)c1ccccc1 8a751af3eed3a1aff27e741140c05d84 [0,2,0,0,0,0|1,0,1]=4 5124 B16R1.705 N#CCCCNC(=O)[C@@H](O)c1ccccc1 45aedd8b204ad5763c8bfc3814f3c816 [0,2,0,0,0,0|1,0,1]=4 5125 B16R1.705 N#CCCCNC(=O)[C@H](O)c1ccccc1 4e563c03ff4709637a04ed2c9c9cb682 [0,2,0,0,0,0|1,0,1]=4 5126 B16R1.934 C=CCC(O)CNC(C)Cc1ccccc1 3de05a159457d5d4d0ee25e3b2aecba0 [0,2,0,0,0,0|1,0,1]=4 5127 B16R1.934 CC(CC#N)NCC(=O)Cc1ccccc1 079ded1faa8800703a0b1c8c17c32fe8 [0,2,0,0,0,0|1,0,1]=4 5128 B16R1.934 CC(CC#N)NCC(C)Oc1ccccc1 cc8bc7e2dd7b39bb4d1a104360ee2e36 [0,2,0,0,0,0|1,0,0]=3 5129 B16R1.934 CC(CC#N)NCC(C)Oc1cccnc1 48dc9f26b6014cbe531ab40d392e9463 [0,2,0,0,0,0|2,0,0]=4 5130 B16R1.934 CC(CC#N)NCC(O)Cc1ccccc1 b5444b1b8c2eb030484b2b6300ea9904 [0,2,0,0,0,0|1,0,0]=3 5131 B16R1.934 CC(CC#N)OCC(C)Oc1ccccc1 8d0c87167a97dc06dbc9a2aa8ac63cf5 [0,2,0,0,0,0|2,0,0]=4 5132 B16R1.934 CC(CC#N)OC[C@H](C)Oc1ccccc1 e6cd32b8d58ac54b8ca9b89fa36d347c [0,2,0,0,0,0|2,0,0]=4 5133 B16R1.934 CC(Cc1ccccn1)NCC(O)CC#N fb03d08b404498187cd3c9d338acbb85 [0,2,0,0,0,0|1,0,0]=3 5134 B16R1.934 CC(Cc1ccccn1)NC[C@@H](O)CC#N 03ce5bc83d7f07ebbe429e45c89fa7d3 [0,2,0,0,0,0|1,0,0]=3 5135 B16R1.934 CC(Cc1ccccn1)NC[C@H](O)CC#N 3be1873e27b26b986e9a9aff7183eeeb [0,2,0,0,0,0|1,0,0]=3 5136 B16R1.934 CC(Cc1cccnc1)NCC(O)CC#N e136a7d6ceef4b2554ec10f508a433d0 [0,2,0,0,0,0|1,0,0]=3 5137 B16R1.934 CC(Cc1cccnc1)NC[C@@H](O)CC#N 4c5810e763e89e692fcc39ccccf20ab9 [0,2,0,0,0,0|1,0,0]=3 5138 B16R1.934 CC(Cc1cccnc1)NC[C@H](O)CC#N 923193ecb688cd46c5bc5a4db0c97a98 [0,2,0,0,0,0|1,0,0]=3 5139 B16R1.934 CC(Cc1ccncc1)NCC(O)CC#N c4a6cfe644215913639f80375f9708fb [0,2,0,0,0,0|1,0,0]=3 5140 B16R1.934 CC(Cc1ccncc1)NC[C@@H](O)CC#N b0bf72859dbb70cb17a53eb90e670c4f [0,2,0,0,0,0|1,0,0]=3 5141 B16R1.934 CC(Cc1ccncc1)NC[C@H](O)CC#N f13615c91e21ed664bbd53eaea433914 [0,2,0,0,0,0|1,0,0]=3 5142 B16R1.934 CC(Cc1cnccn1)NCC(O)CC#N 27c176b1226d5a6ebcb7d3ab9fc22c95 [0,2,0,0,0,0|2,0,0]=4 5143 B16R1.934 CC(Cc1cnccn1)NC[C@@H](O)CC#N 2a953953ce8b0a8a89e3eb2377855227 [0,2,0,0,0,0|2,0,0]=4 5144 B16R1.934 CC(Cc1cnccn1)NC[C@H](O)CC#N 986996b074fab6cc5a6fc2a49c46d4b1 [0,2,0,0,0,0|2,0,0]=4 5145 B16R1.934 CN(CC#N)CCN(C)Cc1ccccc1 bb0ae959778b8ea7c46ad9b1ae949457 [0,2,0,0,0,0|2,0,0]=4 5146 B16R1.934 N#CCC(=O)NCC(O)Cc1ccccc1 35c3ab6ba7e5009a1e49546ca2e4d201 [0,2,0,0,0,0|1,0,1]=4 5147 B16R1.1329 C=C(C#N)CNCC(C)Oc1ccccc1 3788ede4b04c1aa74bf68a93c03c78a7 [0,2,0,0,0,0|1,0,1]=4 5148 B16R1.1329 C=C(C#N)CNCC(O)Cc1ccccc1 e4827c5adee952ea08f61747204276af [0,2,0,0,0,0|1,0,1]=4 5149 B16R1.1329 C=C(C#N)COCC(C)Cc1ccccc1 8200765eaa3aab1612c29c9ad580ee6e [0,2,0,0,0,0|1,0,1]=4 5150 B16R1.1329 CC(C#N)CNCC(=O)Cc1ccccc1 c495cd97232412d15fb84099de9a84f3 [0,2,0,0,0,0|1,0,1]=4 5151 B16R1.1329 CC(C#N)CNCC(C)Oc1ccccc1 4d0f9a813c4f0c3ca3aa531f42ce6e0d [0,2,0,0,0,0|1,0,0]=3 5152 B16R1.1329 CC(C#N)CNCC(C)Oc1cccnc1 8d76889b0fb483cd3a825fb32da59245 [0,2,0,0,0,0|2,0,0]=4 5153 B16R1.1329 CC(C#N)CNCC(O)Cc1ccccc1 9cff3100d886f3c8dbccf2477906d853 [0,2,0,0,0,0|1,0,0]=3 5154 B16R1.1329 CC(C#N)COCC(C)Oc1ccccc1 fdb1db813acee36bc826aa2a54b4ebc7 [0,2,0,0,0,0|2,0,0]=4 5155 B16R1.1329 CC(C#N)COC[C@H](C)Oc1ccccc1 8a98472817a58e8386f4c6f9a4b8c96e [0,2,0,0,0,0|2,0,0]=4 5156 B16R1.1329 CC(C#N)NCCN(C)Cc1ccccc1 48fb616f57f71f8fad35cb93a8f6c6c6 [0,2,0,0,0,0|2,0,0]=4 5157 B16R1.1407 C#CC(Cc1ccccc1)OCCCC#N 8b54fff74a219e48ea0f573291574394 [0,2,0,0,0,0|1,0,1]=4 5158 B16R1.1407 C#CCCCNC(C#N)Cc1ccccc1 55119b1dfb236939287de61e508c4f45 [0,2,0,0,0,0|1,0,1]=4 5159 B16R1.1407 C#CCCCNC(C=O)Cc1ccccc1 72a2ecf525bf7f21f19c43dbf505a227 [0,2,0,0,0,0|1,0,1]=4 5160 B16R1.1407 C#CCCCNC(CC)Cc1ccccc1 cf4c73fdd699950923a9e1613105d66f [0,2,0,0,0,0|1,0,0]=3 5161 B16R1.1407 C#CCCCNC(CO)Cc1ccccc1 6f5396617129781cf9689835c12c4477 [0,2,0,0,0,0|1,0,0]=3 5162 B16R1.1407 C#CCCCN[C@@H](CO)Cc1ccccc1 0c37a487538e5028ba2707d3bb4adc22 [0,2,0,0,0,0|1,0,0]=3 5163 B16R1.1407 C#CCCCN[C@H](CO)Cc1ccccc1 5bec468f231c1248657add6d5dd64b8c [0,2,0,0,0,0|1,0,0]=3 5164 B16R1.1407 C#CCCCOC(CC)Cc1ccccc1 bae16bf117b05c7694a8b8d33194d0a5 [0,2,0,0,0,0|2,0,0]=4 5165 B16R1.1407 C#CCCNCC(C#N)Cc1ccccc1 6cfe5a989d4cabfcfc2a4f1aa5575e27 [0,2,0,0,0,0|1,0,1]=4 5166 B16R1.1407 C#CCCNCC(CC)Cc1ccccc1 7968f45b68b71f791c34c05eb66b8bcf [0,2,0,0,0,0|1,0,0]=3 5167 B16R1.1407 C#CCCNCC(CO)Cc1ccccc1 141415f758807a00f9deea63b7d0647a [0,2,0,0,0,0|1,0,0]=3 5168 B16R1.1407 C=CCCCNC(CC)Cc1ccccc1 ba050d260c545b75dc337fe3b8a49e70 [0,2,0,0,0,0|1,0,1]=4 5169 B16R1.1407 C=CCCCNC(CO)Cc1ccccc1 e90b071e85eca7d3ea53926938609507 [0,2,0,0,0,0|1,0,1]=4 5170 B16R1.1407 C=CCCCN[C@@H](CO)Cc1ccccc1 bbdb7bb5a784ac43dd7020ef76a60478 [0,2,0,0,0,0|1,0,1]=4 5171 B16R1.1407 C=CCCCN[C@H](CO)Cc1ccccc1 dc2d43c9f6f186cbd7801edc41f7691d [0,2,0,0,0,0|1,0,1]=4 5172 B16R1.1407 C=CCCNCC(CC)Cc1ccccc1 53570561f58688b53c2b9c78418efc71 [0,2,0,0,0,0|1,0,1]=4 5173 B16R1.1407 C=CCCNCC(CO)Cc1ccccc1 9871f7a431ede8cf9d259887df99196a [0,2,0,0,0,0|1,0,1]=4 5174 B16R1.1407 C=COCCN[C@H](CO)Cc1ccccc1 cb14fc019d16d93262891063d8de8a68 [0,2,0,0,0,0|1,0,1]=4 5175 B16R1.1407 CCC(CNCCC#N)Cc1ccccc1 c31428f2ef78c32bebf29d142979fcf3 [0,2,0,0,0,0|0,0,0]=2 5176 B16R1.1407 CCC(CNCCC=O)Cc1ccccc1 6d4bb118173c0f60df679d52ca34e740 [0,2,0,0,0,0|1,0,1]=4 5177 B16R1.1407 CCC(CNCCCF)Cc1ccccc1 ed879e0db59380509b3bf6e6e986d629 [0,2,0,0,0,0|1,0,1]=4 5178 B16R1.1407 CCC(CNCCCO)Cc1ccccc1 2fe8ee44fc05d4870826212d577d40ec [0,2,0,0,0,0|1,0,1]=4 5179 B16R1.1407 CCC(CNCCCS)Cc1ccccc1 4cdf4a9f510b7916b2136a9ec5a29053 [0,2,0,0,0,0|1,0,1]=4 5180 B16R1.1407 CCC(CNCCOC)Cc1ccccc1 4cdf68c1a23d1d00de9b2ce0318bcb27 [0,2,0,0,0,0|2,0,0]=4 5181 B16R1.1407 CCC(CNCCSC)Cc1ccccc1 4e93bc048fa77514d08b8db2a174e7ec [0,2,0,0,0,0|2,0,0]=4 5182 B16R1.1407 CCC(Cc1ccccc1)NCC=CC#N b8fc1086581b853486603b6d6b061ae2 [0,2,0,0,0,0|0,0,1]=3 5183 B16R1.1407 CCC(Cc1ccccc1)NCCCC#N bb7ad4fc140305b4291ac93892f55843 [0,2,0,0,0,0|0,0,0]=2 5184 B16R1.1407 CCC(Cc1ccccc1)NCCCC=O 9d4c86f23f48527d4205813c228bbce5 [0,2,0,0,0,0|1,0,1]=4 5185 B16R1.1407 CCC(Cc1ccccc1)NCCCCF cea658fe27abff56747a7cef82d9985b [0,2,0,0,0,0|1,0,1]=4 5186 B16R1.1407 CCC(Cc1ccccc1)NCCCCO 87380f19dd11b3e2d16341a0fcb965be [0,2,0,0,0,0|1,0,1]=4 5187 B16R1.1407 CCC(Cc1ccccc1)NCCCOC c3c3bbbb8a21e83db5e88a394099eef7 [0,2,0,0,0,0|1,0,1]=4 5188 B16R1.1407 CCC(Cc1ccccc1)NCCCSC 3d446e6d1c904a8177e7bd7a6c11deb7 [0,2,0,0,0,0|1,0,1]=4 5189 B16R1.1407 CCC(Cc1ccccc1)OCC=CC#N 3e02ef03a7da3e1b8c6cb68bcd01954b [0,2,0,0,0,0|1,0,1]=4 5190 B16R1.1407 CCC(Cc1ccccc1)OCCCC#N 991879e1f2b320964fd8ab84baf2bfa5 [0,2,0,0,0,0|1,0,0]=3 5191 B16R1.1407 CCC(Cc1ccccn1)OCCCC#N 1d1ed100605b743147127ede9abc891b [0,2,0,0,0,0|2,0,0]=4 5192 B16R1.1407 CCCCCNC(CC)Cc1ccccc1 96545bf450821a2a91bb0f95aafe5769 [0,2,0,0,0,0|1,0,1]=4 5193 B16R1.1407 CCCCCNC(CO)Cc1ccccc1 17dbd54ec1e9e8f05f7a961033709968 [0,2,0,0,0,0|1,0,1]=4 5194 B16R1.1407 CCCCCN[C@@H](CO)Cc1ccccc1 731baac51c3335dde23d344ab79a40cd [0,2,0,0,0,0|1,0,1]=4 5195 B16R1.1407 CCCCCN[C@H](CO)Cc1ccccc1 2e58b4c06f55a512504f018a8d53edde [0,2,0,0,0,0|1,0,1]=4 5196 B16R1.1407 CCCCNCC(CC)Cc1ccccc1 825ffa46763ccba629105caf2402e600 [0,2,0,0,0,0|1,0,1]=4 5197 B16R1.1407 CCCCNCC(CO)Cc1ccccc1 a00f6b93937f51175a127b6e78df5ed8 [0,2,0,0,0,0|1,0,1]=4 5198 B16R1.1407 CCN(CCNCC#N)Cc1ccccc1 45222d30daff5bb5fb000a7cbd59331f [0,2,0,0,0,0|2,0,0]=4 5199 B16R1.1407 CCN(CCOCC#N)Cc1ccccc1 cbc53cd41399c5e6b82ded258f2c8830 [0,2,0,0,0,0|2,0,0]=4 5200 B16R1.1407 CCOCCNC(CC)Cc1ccccc1 b950755e29318c262e25c58f01962cf3 [0,2,0,0,0,0|1,0,1]=4 5201 B16R1.1407 CCOCCNC(CO)Cc1ccccc1 f48fa3916475c80a372a7ef836362729 [0,2,0,0,0,0|1,0,1]=4 5202 B16R1.1407 CCOCCN[C@@H](CO)Cc1ccccc1 a4bac427a902196a466f25aa6ee1096b [0,2,0,0,0,0|1,0,1]=4 5203 B16R1.1407 CCOCCN[C@H](CO)Cc1ccccc1 0c8efc5b6e6029f77f0aa84441861661 [0,2,0,0,0,0|1,0,1]=4 5204 B16R1.1407 CCSCCNC(CC)Cc1ccccc1 4723849dad2c6d8580a3d81e187e9d37 [0,2,0,0,0,0|1,0,1]=4 5205 B16R1.1407 CCSCCNC(CO)Cc1ccccc1 426f7667fa277e7442b5237087f21fe9 [0,2,0,0,0,0|1,0,1]=4 5206 B16R1.1407 CCSCCN[C@@H](CO)Cc1ccccc1 b656dccd36cd08bd28df0a3b4542733c [0,2,0,0,0,0|1,0,1]=4 5207 B16R1.1407 CCSCCN[C@H](CO)Cc1ccccc1 68a95430cf5bc9932c7819e134c60133 [0,2,0,0,0,0|1,0,1]=4 5208 B16R1.1407 COCCCNC(CO)Cc1ccccc1 3da75249abfcee5c76032ebfa94b598b [0,2,0,0,0,0|1,0,1]=4 5209 B16R1.1407 COCCCN[C@@H](CO)Cc1ccccc1 c1224566867a18f8a2bd8075349e97a1 [0,2,0,0,0,0|1,0,1]=4 5210 B16R1.1407 COCCCN[C@H](CO)Cc1ccccc1 92330a8fa4319861075f66c14134cbe1 [0,2,0,0,0,0|1,0,1]=4 5211 B16R1.1407 COCCNCC(CO)Cc1ccccc1 c98a7402fe0cc6c736867b8f7b94e0ec [0,2,0,0,0,0|2,0,0]=4 5212 B16R1.1407 CSCCCNC(CO)Cc1ccccc1 174a3a37c798b324b7742488188e8397 [0,2,0,0,0,0|1,0,1]=4 5213 B16R1.1407 CSCCCN[C@@H](CO)Cc1ccccc1 b7fe38732d603cba5cb39e104521031f [0,2,0,0,0,0|1,0,1]=4 5214 B16R1.1407 CSCCCN[C@H](CO)Cc1ccccc1 8ef31b8935b469a69a6aad1ff74e2804 [0,2,0,0,0,0|1,0,1]=4 5215 B16R1.1407 CSCCNCC(CO)Cc1ccccc1 655600ff30b9edcdaeaa42228b849b09 [0,2,0,0,0,0|2,0,0]=4 5216 B16R1.1407 N#CC=CCNC(C#N)Cc1ccccc1 bc73760dda8da1bef1886c3bc6da2016 [0,2,0,0,0,0|0,0,2]=4 5217 B16R1.1407 N#CC=CCNC(CO)Cc1ccccc1 acf27fa009663765f31051369b38e762 [0,2,0,0,0,0|0,0,1]=3 5218 B16R1.1407 N#CC=CCN[C@@H](CO)Cc1ccccc1 fd85c74d669373c42cafae57b93f06a3 [0,2,0,0,0,0|0,0,1]=3 5219 B16R1.1407 N#CC=CCN[C@H](CO)Cc1ccccc1 ee84407b74982423917e03ff68d1f895 [0,2,0,0,0,0|0,0,1]=3 5220 B16R1.1407 N#CCCCNC(C#N)Cc1ccccc1 1aff15cb4ddc9779202e0018ba04fa1d [0,2,0,0,0,0|0,0,1]=3 5221 B16R1.1407 N#CCCCNC(C=O)Cc1ccccc1 13619ffd155bd6a4b31d5a16a734190a [0,2,0,0,0,0|0,0,1]=3 5222 B16R1.1407 N#CCCCNC(CO)Cc1ccccc1 d17f2a027f1ee98258a8246d259fb3b8 [0,2,0,0,0,0|0,0,0]=2 5223 B16R1.1407 N#CCCCN[C@@H](CO)Cc1ccccc1 119173a3932364c7740be3ac11e9cfeb [0,2,0,0,0,0|0,0,0]=2 5224 B16R1.1407 N#CCCCN[C@H](CO)Cc1ccccc1 10f2db74a6d04c749fc179fa4fc15508 [0,2,0,0,0,0|0,0,0]=2 5225 B16R1.1407 N#CCCNCC(C#N)Cc1ccccc1 ebae400a04ccbf00bd0be3c73c916257 [0,2,0,0,0,0|0,0,1]=3 5226 B16R1.1407 N#CCCNCC(CO)Cc1ccccc1 ff5c3dfddf41eb13bb6e7fa387b551c5 [0,2,0,0,0,0|0,0,0]=2 5227 B16R1.1407 N#CCCOCC(C#N)Cc1ccccc1 be597fc74a48c5996082a0f8de2c5c73 [0,2,0,0,0,0|1,0,1]=4 5228 B16R1.1407 N#CSCNCC(CO)Cc1ccccc1 0cbc512b1c03f6af6fe12df722909bd3 [0,2,0,0,0,0|1,0,0]=3 5229 B16R1.1407 O=CCCCNC(CO)Cc1ccccc1 273d9a74323bba7946403f74ba0dd4bc [0,2,0,0,0,0|1,0,1]=4 5230 B16R1.1407 O=CCCCN[C@@H](CO)Cc1ccccc1 e6203be93f60bae9e04a29ec971c5373 [0,2,0,0,0,0|1,0,1]=4 5231 B16R1.1407 O=CCCCN[C@H](CO)Cc1ccccc1 be8a77d8e0d87902573eb572df5311d1 [0,2,0,0,0,0|1,0,1]=4 5232 B16R1.1407 O=CCCNCC(CO)Cc1ccccc1 9eaf21f63275505eb2edfcf6179573dd [0,2,0,0,0,0|1,0,1]=4 5233 B16R1.1407 OCC(CNCCCF)Cc1ccccc1 c1d4a57a1959cd6574d81c299afa0f99 [0,2,0,0,0,0|1,0,1]=4 5234 B16R1.1407 OCC(CNCCCS)Cc1ccccc1 2713fd4b05df7636d21014f37a96d761 [0,2,0,0,0,0|1,0,1]=4 5235 B16R1.1407 OCC(Cc1ccccc1)NCCCCF 54ca9ea5acf974509e51e318c4807444 [0,2,0,0,0,0|1,0,1]=4 5236 B16R1.1407 OCCCCNC(CO)Cc1ccccc1 46711d6d07ae5434bcca85b40a54766a [0,2,0,0,0,0|1,0,1]=4 5237 B16R1.1407 OCCCCN[C@@H](CO)Cc1ccccc1 4de56622d80c342dd44233a9e0145415 [0,2,0,0,0,0|1,0,1]=4 5238 B16R1.1407 OCCCCN[C@H](CO)Cc1ccccc1 30e49254fe5c8063236808d96f3560d5 [0,2,0,0,0,0|1,0,1]=4 5239 B16R1.1407 OCCCNCC(CO)Cc1ccccc1 6f43408ee7efb4b10d9c09b932ef0ebf [0,2,0,0,0,0|1,0,1]=4 5240 B16R1.1407 OC[C@@H](Cc1ccccc1)NCCCCF be4bf91cc7f52b82584178447c06049d [0,2,0,0,0,0|1,0,1]=4 5241 B16R1.1407 OC[C@H](Cc1ccccc1)NCCCCF 98fb83bf5598469c261192efb982b539 [0,2,0,0,0,0|1,0,1]=4 5242 B16R1.1497 C#CCCC(=O)NC(C)Cc1ccccn1 e6eb210fba289fc0e8292b18379718cc [0,2,0,0,0,0|2,0,0]=4 5243 B16R1.1497 C#CCCC(=O)NC(C)Cc1cccnc1 447958f1822a285eb6394a9b0c90e4ee [0,2,0,0,0,0|2,0,0]=4 5244 B16R1.1497 C#CCCC(=O)NC(C)Cc1ccncc1 b917b7e85e552afd3192294abde8a6b4 [0,2,0,0,0,0|2,0,0]=4 5245 B16R1.1497 CC(CCC#N)NC(C)Cc1cnccn1 bf7f94b384edc206a106ad1797f3a7ba [0,2,0,0,0,0|2,0,0]=4 5246 B16R1.1497 CC(Cc1ccccn1)NC(=O)CCC#N 48d58b6bcd55f2ebbca16a4c15def2f6 [0,2,0,0,0,0|1,0,0]=3 5247 B16R1.1497 CC(Cc1ccccn1)NC(=O)NCC#N 732ba1750afc6b4b7245346f5b0ba208 [0,2,0,0,0,0|1,0,1]=4 5248 B16R1.1497 CC(Cc1ccccn1)NC(=S)NCC#N 25194aaf599c4b1fbbaf44dfbea2d454 [0,2,0,0,0,0|1,0,1]=4 5249 B16R1.1497 CC(Cc1cccnc1)NC(=O)CCC#N b92af34328c8aaac151b0e0d9f7a7056 [0,2,0,0,0,0|1,0,0]=3 5250 B16R1.1497 CC(Cc1cccnc1)NC(=O)NCC#N e8da4e880da474667e651a171536cfaf [0,2,0,0,0,0|1,0,1]=4 5251 B16R1.1497 CC(Cc1cccnc1)NC(=S)NCC#N eed345292262c149ed1614744b629f05 [0,2,0,0,0,0|1,0,1]=4 5252 B16R1.1497 CC(Cc1ccncc1)NC(=O)CCC#N 8ca17357b0d9bbbdf8bcc72a7322b718 [0,2,0,0,0,0|1,0,0]=3 5253 B16R1.1497 CC(Cc1ccncc1)NC(=O)NCC#N afe5c5ec09c1a8158d504bf51be22382 [0,2,0,0,0,0|1,0,1]=4 5254 B16R1.1497 CC(Cc1ccncc1)NC(=S)NCC#N a47059b85da8a7a4802752e0517f78b5 [0,2,0,0,0,0|1,0,1]=4 5255 B16R1.1497 CC(Cc1cnccn1)NC(=O)CCC#N a02cfa7abb7c7ab82e9d3d90dfcb534b [0,2,0,0,0,0|2,0,0]=4 5256 B16R1.1497 CN(CCC#N)CC(=O)Cc1ccccc1 2afb859703b50eff64b789107a2f9447 [0,2,0,0,0,0|1,0,1]=4 5257 B16R1.1497 C[C@H](CN(C)Cc1ccccc1)NCC#N 4b924bac06f12119876debb130106e1c [0,2,0,0,0,0|2,0,0]=4 5258 B16R1.4621 C#CCCCOC(C)Cc1ccccc1Cl 788cdf516dcf872723fd3fd5a7aa560a [0,2,0,0,0,0|2,0,0]=4 5259 B16R1.4621 C#CCCNCC(C)Oc1ccccc1Cl 557b27b4d7d4e21bfa93b54d9639ed19 [0,2,0,0,0,0|2,0,0]=4 5260 B16R1.4621 C#CCCNCC(O)Cc1ccccc1F c3b785b8799eb52e689f2adae7ac4d48 [0,2,0,0,0,0|2,0,0]=4 5261 B16R1.4621 C#CCCOCC(C)Cc1ccccc1C 6437b6b1deae824e53d88ba32f7dd37a [0,2,0,0,0,0|2,0,0]=4 5262 B16R1.4621 C#CCCOCC(C)Cc1ccccc1F eb02fccfdc27c9644957b0f013b91d78 [0,2,0,0,0,0|2,0,0]=4 5263 B16R1.4621 CC(CNCCC#N)Oc1ccccc1Cl 92a24673bab0d47947952548126135db [0,2,0,0,0,0|1,0,0]=3 5264 B16R1.4621 CC(CNCSC#N)Oc1ccccc1Cl b269a55ed4a6334f036df0dde4f0e6df [0,2,0,0,0,0|2,0,0]=4 5265 B16R1.4621 CC(COCCC#N)Cc1ccccc1F 98430862c18462630418f3a0cfcc74fd [0,2,0,0,0,0|1,0,0]=3 5266 B16R1.4621 CC(Cc1ccccc1Cl)OCCCC#N 8ffa42f69cab59584027f7e35cab91a1 [0,2,0,0,0,0|1,0,0]=3 5267 B16R1.4621 CN(CCCCC#N)Cc1ccccc1Cl 4e946ef12817a685fb636651b57c701f [0,2,0,0,0,0|2,0,0]=4 5268 B16R1.4621 CN(CCCCC#N)Cc1ccccc1F f23d3118ee00570f2da2ec3de32aaf6c [0,2,0,0,0,0|2,0,0]=4 5269 B16R1.4621 CN(CCCCC#N)Cc1ccccc1I 1a54aff5ecacc3d43e4b880503477c0a [0,2,0,0,0,0|2,0,0]=4 5270 B16R1.4621 CN(CCOCC#N)Cc1ccccc1Cl 67f8fc186b6f2f358ecdc255cccec616 [0,2,0,0,0,0|2,0,0]=4 5271 B16R1.4621 CN(CCOCC#N)Cc1ccccc1F 3d5f15a6c5e081596b5a9056de2db5be [0,2,0,0,0,0|2,0,0]=4 5272 B16R1.4621 CN(CCOCC#N)Cc1ccccc1I 68411a9ebe0b1916334d554a6f283245 [0,2,0,0,0,0|2,0,0]=4 5273 B16R1.4621 Cc1ccccc1CC(=O)CNCCC#N a4db2e17343e5227fa3eb15c5b3e6c30 [0,2,0,0,0,0|1,0,1]=4 5274 B16R1.4621 Cc1ccccc1CC(=O)NCCCC#N 8476d22dc77c77ee4b95454d602ce6cc [0,2,0,0,0,0|1,0,1]=4 5275 B16R1.4621 Cc1ccccc1CC(C)COCCC#N 88ed230dd15f97c22fd5a46ed08503bb [0,2,0,0,0,0|1,0,0]=3 5276 B16R1.4621 Cc1ccccc1CC(C)OCCCC#N 0a12f7b163c3fae71f6a8e15f3227e46 [0,2,0,0,0,0|1,0,0]=3 5277 B16R1.4621 Cc1cccnc1CC(C)OCCCC#N c9044118b26f00bb7b2d51910c38a259 [0,2,0,0,0,0|2,0,0]=4 5278 B16R1.4621 N#CCCCNC(=O)Cc1ccccc1Br 444d321a765ed7d900fbf4b83fa54dc6 [0,2,0,0,0,0|1,0,1]=4 5279 B16R1.4621 N#CCCCNC(=O)Cc1ccccc1Cl 1c2d6b848e7ebb6458450e7809ea9e64 [0,2,0,0,0,0|1,0,1]=4 5280 B16R1.4621 N#CCCCNC(=O)Cc1ccccc1F 49b98cd376b62ad8029938e11e78e587 [0,2,0,0,0,0|1,0,1]=4 5281 B16R1.4621 N#CCCCNC(=O)Cc1ccccc1I 4ca6a44e41bca03a9af1ba8e87f10521 [0,2,0,0,0,0|1,0,1]=4 5282 B16R1.4621 N#CCCCNC(=O)Cc1ccccc1O 502ae12dd99f96a27d0db1f91bb8bf03 [0,2,0,0,0,0|1,0,1]=4 5283 B16R1.4621 N#CCCNCC(=O)Cc1ccccc1Cl 22dba054a1b9f151d1497603d4316c81 [0,2,0,0,0,0|1,0,1]=4 5284 B16R1.4621 N#CCCNCC(O)Cc1ccccc1F 12e8dfa948dc5fb45d40eeaf06f4f3b7 [0,2,0,0,0,0|1,0,0]=3 5285 B16R1.61 C#CCCNC(C)C(=O)c1ccc(cc1)Cl 3bf943a81a8f4664e1c71e850ba50141 [0,2,0,0,0,0|1,0,1]=4 5286 B16R1.61 C#CCCNC(C)C(=O)c1ccc(cc1)F 74df7ab004183b09b1f527a1ff3a4b60 [0,2,0,0,0,0|1,0,1]=4 5287 B16R1.61 C#CCCNC(C)C(O)c1ccc(cc1)Cl 20689e914620017c9e6708802cdb61f4 [0,2,0,0,0,0|1,0,0]=3 5288 B16R1.61 C=CCCNC(C)C(O)c1ccc(cc1)Cl b42936ce145e146022d9d48cdf2bb47b [0,2,0,0,0,0|1,0,1]=4 5289 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)Cl 7f321b32bf4a4d27fe5b79c5644379cc [0,2,0,0,0,0|1,0,1]=4 5290 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)F 484d135600d819432c7730796fbd76ae [0,2,0,0,0,0|1,0,1]=4 5291 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)I b9b76fc9dd7aa7b5ea3229215587572c [0,2,0,0,0,0|1,0,1]=4 5292 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)O 133bdebe1ac7d2aaeb315a9032efce19 [0,2,0,0,0,0|1,0,1]=4 5293 B16R1.61 CC(NCCC#N)C(=O)c1ccc(cc1)Br 892c7883a3b9d592e05dd0984aa52258 [0,2,0,0,0,0|0,0,1]=3 5294 B16R1.61 CC(NCCC#N)C(=O)c1ccc(cc1)Cl ede7e32b7070e28eea56dee7818e4b71 [0,2,0,0,0,0|0,0,1]=3 5295 B16R1.61 CC(NCCC#N)C(=O)c1ccc(cc1)F a1967c1074566671b2bfe7d86ff8030c [0,2,0,0,0,0|0,0,1]=3 5296 B16R1.61 CC(NCCC#N)C(O)c1ccc(cc1)Cl cfddf1c4483ec215f45f83109e0b2a81 [0,2,0,0,0,0|0,0,0]=2 5297 B16R1.61 CC(NCCC=O)C(O)c1ccc(cc1)Cl 4d890d14125442cc0e4c1afefcbec580 [0,2,0,0,0,0|1,0,1]=4 5298 B16R1.61 CC(NCCCF)C(O)c1ccc(cc1)Cl 4389ebdfb527dbd5a75812e1c92887aa [0,2,0,0,0,0|1,0,1]=4 5299 B16R1.61 CC(NCCCO)C(O)c1ccc(cc1)Cl e82d93b526addce7892838a2ed18792c [0,2,0,0,0,0|1,0,1]=4 5300 B16R1.61 CC(NCCCS)C(O)c1ccc(cc1)Cl 716077f546551b41bea4e0b59cf5a5ce [0,2,0,0,0,0|1,0,1]=4 5301 B16R1.61 CC(OCCC#N)C(=O)c1ccc(cc1)F d9992fed33e876aff01e65374b4a165a [0,2,0,0,0,0|1,0,1]=4 5302 B16R1.61 CC(c1ccc(cc1)F)N(C)CCCC#N ede485c6ffc3cde63256348c188abeba [0,2,0,0,0,0|2,0,0]=4 5303 B16R1.61 CCCCNC(C)C(O)c1ccc(cc1)Cl d62d5781de91854741e078bf13b8690b [0,2,0,0,0,0|1,0,1]=4 5304 B16R1.61 COCCNC(C)C(O)c1ccc(cc1)Cl b2f034c6167934d0b6ab04329ed89003 [0,2,0,0,0,0|2,0,0]=4 5305 B16R1.61 CSCCNC(C)C(O)c1ccc(cc1)Cl e0f84d55f934b10c55152fc52314306d [0,2,0,0,0,0|2,0,0]=4 5306 B16R1.61 C[C@@H](C(=O)NCCC#N)c1ccc(cc1)Cl d40ea4960b5c89f88f95b4f1b0adad8a [0,2,0,0,0,0|1,0,1]=4 5307 B16R1.61 C[C@@H](C(=O)NCCC#N)c1ccc(cc1)F b832dd67a985267d928f7e6b540fe06f [0,2,0,0,0,0|1,0,1]=4 5308 B16R1.61 C[C@@H](C(=O)NCCC#N)c1ccc(cc1)O 47246e4588aa055e32e714cfa337badc [0,2,0,0,0,0|1,0,1]=4 5309 B16R1.61 C[C@@H](c1ccc(cc1)F)N(C)CCCC#N bbd7699e9909215b8e5d70a3f624f720 [0,2,0,0,0,0|2,0,0]=4 5310 B16R1.61 C[C@H](C(=O)NCCC#N)c1ccc(cc1)F 2d557ba06e8e3689045481555b045389 [0,2,0,0,0,0|1,0,1]=4 5311 B16R1.61 C[C@H](C(=O)NCCC#N)c1ccc(cc1)O 78e7b9e1cef09c1e358ef376df07949e [0,2,0,0,0,0|1,0,1]=4 5312 B16R1.61 C[C@H](c1ccc(cc1)F)N(C)CCCC#N 949e06ac029dc74b22f8c5b70bc7f9e2 [0,2,0,0,0,0|2,0,0]=4 5313 B16R1.61 Cc1ccc(cc1)C(C)C(=O)NCCC#N 566e7bbd16a90b28097e50424fa2616a [0,2,0,0,0,0|1,0,1]=4 5314 B16R1.61 Cc1ccc(cc1)C(F)C(=O)NCCC#N d9034495f6b33ec8c38922071f5c26f1 [0,2,0,0,0,0|1,0,1]=4 5315 B16R1.61 Cc1ccc(cc1)C(O)C(=O)NCCC#N ed8252f35ef6766ba0726183dd80f448 [0,2,0,0,0,0|1,0,1]=4 5316 B16R1.61 Cc1ccc(cc1)[C@@H](C)C(=O)NCCC#N 77cdf18b1c58f060b0a4fb6db626119e [0,2,0,0,0,0|1,0,1]=4 5317 B16R1.61 Cc1ccc(cc1)[C@@H](O)C(=O)NCCC#N 5a2aefd65a55aaebf1afdce5837162eb [0,2,0,0,0,0|1,0,1]=4 5318 B16R1.61 Cc1ccc(cc1)[C@H](C)C(=O)NCCC#N 54668ed02f10e04e6108da8f4a9145bb [0,2,0,0,0,0|1,0,1]=4 5319 B16R1.61 N#CCCNC(=O)C(F)c1ccc(cc1)Cl 0900a6e69b043760f88f5bbdf32cc1ad [0,2,0,0,0,0|1,0,1]=4 5320 B16R1.61 N#CCCNC(=O)C(F)c1ccc(cc1)F 6f1eb29c45598da17e406ed6a181877b [0,2,0,0,0,0|1,0,1]=4 5321 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)Br 48fa3021a6cca4f657c0783d808126e4 [0,2,0,0,0,0|1,0,1]=4 5322 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)Cl 1bc55126da6bc1124d3a8ea151d4cd52 [0,2,0,0,0,0|1,0,1]=4 5323 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)F 98493fe0717b9cea0f80e7cb4530d618 [0,2,0,0,0,0|1,0,1]=4 5324 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)O a525beff821b774a535dc3e1c964e635 [0,2,0,0,0,0|1,0,1]=4 5325 B16R1.61 N#CCCNC(=O)[C@@H](O)c1ccc(cc1)Br 1ce0a995f99ed4551454c7f357ce0d65 [0,2,0,0,0,0|1,0,1]=4 5326 B16R1.61 N#CCCNC(=O)[C@@H](O)c1ccc(cc1)Cl 34766691afe99e6cda055718e097782a [0,2,0,0,0,0|1,0,1]=4 5327 B16R1.61 N#CCCNC(=O)[C@@H](O)c1ccc(cc1)F 043447bc1f4aabfd3730ad33a2f95004 [0,2,0,0,0,0|1,0,1]=4 5328 B16R1.61 N#CCCNC(=O)[C@@H](O)c1ccc(cc1)O abde155f4467aa984330a8f5887fad2c [0,2,0,0,0,0|1,0,1]=4 5329 B16R1.61 N#CCCNC(=O)[C@H](O)c1ccc(cc1)Br a02e91f9c7bdeb29c989f1f923109c2c [0,2,0,0,0,0|1,0,1]=4 5330 B16R1.61 N#CCCNC(=O)[C@H](O)c1ccc(cc1)Cl 9d0196cbe9a0845153b3e7978bdd05df [0,2,0,0,0,0|1,0,1]=4 5331 B16R1.61 N#CCCNC(=O)[C@H](O)c1ccc(cc1)F 81f75bed3b767f12540bbf6c8b081c8b [0,2,0,0,0,0|1,0,1]=4 5332 B16R1.61 N#CCCNC(=O)[C@H](O)c1ccc(cc1)O c40dbeb17c2192f71b3ec233b8eb74aa [0,2,0,0,0,0|1,0,1]=4 5333 B16R1.61 N#CCCNC(F)C(=O)c1ccc(cc1)F 15cfc839b060e61eeb055f3fd8ee006b [0,2,0,0,0,0|1,0,1]=4 5334 B16R1.62 C#CCCNC(C)C(=O)c1cccc(c1)Cl 79795da92ab16a7bf9e38d5df9872901 [0,2,0,0,0,0|1,0,1]=4 5335 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Br 6459f1ad2daa7864cfb430d15729137f [0,2,0,0,0,0|1,0,1]=4 5336 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)Cl 38777d7ea4d5e15dba87c43a22f14762 [0,2,0,0,0,0|1,0,1]=4 5337 B16R1.62 CC(C(=O)NCCC#N)c1cccc(c1)F 1b65d5b9e95a76b1936e68af102c6afc [0,2,0,0,0,0|1,0,1]=4 5338 B16R1.62 CC(NCCC#N)C(=O)c1cccc(c1)Cl fc13ab8347950ceebda1849181ba7bed [0,2,0,0,0,0|0,0,1]=3 5339 B16R1.62 CC(NCCC#N)C(=O)c1cccc(c1)F c80b9ace06131432e1f264b949d5de5b [0,2,0,0,0,0|0,0,1]=3 5340 B16R1.62 CC(OCCC#N)C(=O)c1cccc(c1)Cl 6ea08bd8850717e7c91c3482d73e84f6 [0,2,0,0,0,0|1,0,1]=4 5341 B16R1.62 CC(OCCC#N)C(=O)c1cccc(c1)F 8bd5b14019788bf993ae984199f1f5c2 [0,2,0,0,0,0|1,0,1]=4 5342 B16R1.62 CC(c1cccc(c1)F)N(C)CCCC#N 1fdd0eca5574d37fe01f25a9f16316ca [0,2,0,0,0,0|2,0,0]=4 5343 B16R1.62 C[C@@H](C(=O)NCCC#N)c1cccc(c1)Br 82decce180ae33a6e579c8ff3c5e3678 [0,2,0,0,0,0|1,0,1]=4 5344 B16R1.62 C[C@@H](c1cccc(c1)F)N(C)CCCC#N 4df3e5b16a7dd418e5dca8d53170e9fb [0,2,0,0,0,0|2,0,0]=4 5345 B16R1.62 C[C@H](C(=O)NCCC#N)c1cccc(c1)Br da338b2f8ed2d77da43963c9d47a08cf [0,2,0,0,0,0|1,0,1]=4 5346 B16R1.62 C[C@H](c1cccc(c1)F)N(C)CCCC#N b4a09b3534ee17e63243424fc9d996e4 [0,2,0,0,0,0|2,0,0]=4 5347 B16R1.62 Cc1cccc(c1)C(=O)C(C)NCCC#N b9c712b52ddce424d332af158c8dbf28 [0,2,0,0,0,0|0,0,1]=3 5348 B16R1.62 Cc1cccc(c1)C(C)C(=O)NCCC#N 044513e450c64047062107ccce12e5f8 [0,2,0,0,0,0|1,0,1]=4 5349 B16R1.62 Cc1cccc(c1)C(F)C(=O)NCCC#N 04d72315cae1e081da85ce905d510d4e [0,2,0,0,0,0|1,0,1]=4 5350 B16R1.62 Cc1cccc(c1)C(O)C(=O)NCCC#N 9f5478128264d8fd88aaf142be9d27d9 [0,2,0,0,0,0|1,0,1]=4 5351 B16R1.62 Cc1cccc(c1)[C@@H](C)C(=O)NCCC#N 3ab57042684b8f54ae34fdfc1f01c275 [0,2,0,0,0,0|1,0,1]=4 5352 B16R1.62 Cc1cccc(c1)[C@H](C)C(=O)NCCC#N 45773fbd6379df7746854da3a5738667 [0,2,0,0,0,0|1,0,1]=4 5353 B16R1.62 N#CCCNC(=O)C(F)c1cccc(c1)Br f05ed313ac05d47d4176b4dd3e55c863 [0,2,0,0,0,0|1,0,1]=4 5354 B16R1.62 N#CCCNC(=O)C(F)c1cccc(c1)Cl d2108eebcbafdd392569f80d95a64a34 [0,2,0,0,0,0|1,0,1]=4 5355 B16R1.62 N#CCCNC(=O)C(F)c1cccc(c1)F aef031f4bbe1f24b25a5ed264f0e0a34 [0,2,0,0,0,0|1,0,1]=4 5356 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)Br d153ccbaad5e47420d0fed01fdda427b [0,2,0,0,0,0|1,0,1]=4 5357 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)Cl 9f3d2e37dc390c298868c37e6258db9b [0,2,0,0,0,0|1,0,1]=4 5358 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)F ced031bf7478cd62220807d9e990c412 [0,2,0,0,0,0|1,0,1]=4 5359 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)O 27cce747f9368811f1c35e3aad66d107 [0,2,0,0,0,0|1,0,1]=4 5360 B16R1.62 N#CCCNC(=O)[C@@H](O)c1cccc(c1)Br 58eaef755dc8a79dffeb85a9ca6e79bf [0,2,0,0,0,0|1,0,1]=4 5361 B16R1.62 N#CCCNC(=O)[C@@H](O)c1cccc(c1)Cl 458fc5623f6191e3ecd5dea967156b74 [0,2,0,0,0,0|1,0,1]=4 5362 B16R1.62 N#CCCNC(=O)[C@H](O)c1cccc(c1)Br 98a87d31c41c1803c0b058952649797e [0,2,0,0,0,0|1,0,1]=4 5363 B16R1.62 N#CCCNC(=O)[C@H](O)c1cccc(c1)Cl 57cfded9b4465c413db8fcda52862a06 [0,2,0,0,0,0|1,0,1]=4 5364 B16R1.915 CC(CC#N)NC(=O)C(C)c1ccccc1 2d66f6e78fa6549c769bc218edbf7e88 [0,2,0,0,0,0|1,0,1]=4 5365 B16R1.915 CC(CC#N)NC(=O)C(O)c1ccccc1 bacbd2ee44e8e54554e7e49418a2c247 [0,2,0,0,0,0|1,0,1]=4 5366 B16R1.915 CC(CC#N)NC(=O)[C@@H](C)c1ccccc1 82ff0766e85e2288f39998a7e8f808a6 [0,2,0,0,0,0|1,0,1]=4 5367 B16R1.915 CC(CC#N)NC(=O)[C@@H](O)c1ccccc1 37d15b19ab55a6ec6ed0000683b69d46 [0,2,0,0,0,0|1,0,1]=4 5368 B16R1.915 CC(CC#N)NC(=O)[C@H](C)c1ccccc1 a10cb6ef146f45418039b2787db6dc82 [0,2,0,0,0,0|1,0,1]=4 5369 B16R1.915 CC(CC#N)NC(=O)[C@H](O)c1ccccc1 12090dc6b777fae6077f9f324bab21db [0,2,0,0,0,0|1,0,1]=4 5370 B16R1.1244 CN(CCC#N)C(=O)C(F)c1ccccc1 34dba0bd9932df7d40f137e351179be2 [0,2,0,0,0,0|1,0,1]=4 5371 B16R1.1244 CN(CCC#N)C(=O)C(O)c1ccccc1 76cadf644bdd4ea0c975b853dd466865 [0,2,0,0,0,0|1,0,1]=4 5372 B16R1.1244 CN(CCC#N)C(=O)[C@@H](O)c1ccccc1 a9da77b05dd8aa1e70a1d890cb162e02 [0,2,0,0,0,0|1,0,1]=4 5373 B16R1.1244 CN(CCC#N)C(=O)[C@H](F)c1ccccc1 f2cd0408049f50bc5304ae2be9b0556f [0,2,0,0,0,0|1,0,1]=4 5374 B16R1.1244 CN(CCC#N)C(=O)[C@H](O)c1ccccc1 66acf01111ed854689b97fd888daeaff [0,2,0,0,0,0|1,0,1]=4 5375 B16R1.1420 C#CCCNC(CO)C(O)c1ccccc1 d7133c7b6bf5d6374379b3f524ebfb69 [0,2,0,0,0,0|1,0,0]=3 5376 B16R1.1420 C#CCCN[C@@H](CO)[C@@H](O)c1ccccc1 17f98859a21aa58b738bbfe5a9512888 [0,2,0,0,0,0|1,0,0]=3 5377 B16R1.1420 C#CCCN[C@H](CO)[C@H](O)c1ccccc1 87ccb5b0b84036cf9439b35345dda48a [0,2,0,0,0,0|1,0,0]=3 5378 B16R1.1420 C=CCCNC(CO)C(O)c1ccccc1 5f39cb92bf11c157b1b5e4de5f073bbd [0,2,0,0,0,0|1,0,1]=4 5379 B16R1.1420 C=CCCN[C@@H](CO)[C@@H](O)c1ccccc1 15a519c2207617546da99d7b289d0eb5 [0,2,0,0,0,0|1,0,1]=4 5380 B16R1.1420 C=CCCN[C@H](CO)[C@H](O)c1ccccc1 78ba2f37ef5adfcc82fc11eb33fe5b93 [0,2,0,0,0,0|1,0,1]=4 5381 B16R1.1420 CCC(NCCC#N)C(=O)c1ccccn1 fbe5e197170388a59a11d868deaaed0f [0,2,0,0,0,0|1,0,1]=4 5382 B16R1.1420 CCCCNC(CO)C(O)c1ccccc1 015d5de58282c470bf9f0540dd8048e7 [0,2,0,0,0,0|1,0,1]=4 5383 B16R1.1420 CCCCN[C@@H](CO)[C@@H](O)c1ccccc1 d4136c1de1847a89a06771b8ed9ab26e [0,2,0,0,0,0|1,0,1]=4 5384 B16R1.1420 CCCCN[C@H](CO)[C@H](O)c1ccccc1 4cef00332ccb84339918cb5c69658cef [0,2,0,0,0,0|1,0,1]=4 5385 B16R1.1420 CCN(CCCC#N)C(C)c1ccccc1 9a6cbc2492fcc25af2d2a4637271d301 [0,2,0,0,0,0|2,0,0]=4 5386 B16R1.1420 COCCNC(CO)C(O)c1ccccc1 2b83e0706eb325112992ebb3fd0a1ab8 [0,2,0,0,0,0|2,0,0]=4 5387 B16R1.1420 COCCN[C@@H](CO)[C@@H](O)c1ccccc1 b6159994d30ebc59369e106ed92a516b [0,2,0,0,0,0|2,0,0]=4 5388 B16R1.1420 COCCN[C@H](CO)[C@H](O)c1ccccc1 7e5e6d6544eee88ced5e0d756a0bb2d1 [0,2,0,0,0,0|2,0,0]=4 5389 B16R1.1420 CSCCNC(CO)C(O)c1ccccc1 55a36ff12784a29c1a1746ad2114ff21 [0,2,0,0,0,0|2,0,0]=4 5390 B16R1.1420 CSCCN[C@@H](CO)[C@@H](O)c1ccccc1 d038175c2ad222adc633199f8b7f27ea [0,2,0,0,0,0|2,0,0]=4 5391 B16R1.1420 CSCCN[C@H](CO)[C@H](O)c1ccccc1 9429fc8b1ca48385db6da04fd9febc65 [0,2,0,0,0,0|2,0,0]=4 5392 B16R1.1420 N#CCCNC(CO)C(O)c1ccccc1 9d1c17fe8ca5b33d28b9e75fc8dd2e19 [0,2,0,0,0,0|0,0,0]=2 5393 B16R1.1420 N#CCCN[C@@H](CO)[C@@H](O)c1ccccc1 b2e27c3d8b04053e532a2f18bb3a2637 [0,2,0,0,0,0|0,0,0]=2 5394 B16R1.1420 N#CCCN[C@H](CO)[C@H](O)c1ccccc1 a599278a17e28e7443f1bbc354edd28f [0,2,0,0,0,0|0,0,0]=2 5395 B16R1.1420 O=CCCNC(CO)C(O)c1ccccc1 9df82bb5ddc816f15a727cf7d4babca6 [0,2,0,0,0,0|1,0,1]=4 5396 B16R1.1420 O=CCCN[C@@H](CO)[C@@H](O)c1ccccc1 e33955ad0d158f210492611ca38b1241 [0,2,0,0,0,0|1,0,1]=4 5397 B16R1.1420 O=CCCN[C@H](CO)[C@H](O)c1ccccc1 618ec474c07066ae88c5b2a22aeb3bfc [0,2,0,0,0,0|1,0,1]=4 5398 B16R1.1420 OCC(NCCCF)C(O)c1ccccc1 04b381b506115097cb67dd83290390a8 [0,2,0,0,0,0|1,0,1]=4 5399 B16R1.1420 OCC(NCCCS)C(O)c1ccccc1 1404aae99bc34e108c990b16c6285ce0 [0,2,0,0,0,0|1,0,1]=4 5400 B16R1.1420 OCCCNC(CO)C(O)c1ccccc1 e68d9cb41703507d1143599a91f2a20a [0,2,0,0,0,0|1,0,1]=4 5401 B16R1.1420 OCCCN[C@@H](CO)[C@@H](O)c1ccccc1 640eaa29dc361d7b98d0fb5bf4d6de71 [0,2,0,0,0,0|1,0,1]=4 5402 B16R1.1420 OCCCN[C@H](CO)[C@H](O)c1ccccc1 2bb7b134209bbdd3d10c9f5fe43fbc76 [0,2,0,0,0,0|1,0,1]=4 5403 B16R1.1420 OC[C@@H](NCCCF)[C@H](O)c1ccccc1 e88c87e9b12c2c3b226f6f916a4ba63f [0,2,0,0,0,0|1,0,1]=4 5404 B16R1.1420 OC[C@@H](NCCCS)[C@H](O)c1ccccc1 cdd6b255ae1a88f6d2c9e8cf13e05bf9 [0,2,0,0,0,0|1,0,1]=4 5405 B16R1.1420 OC[C@H](NCCCF)[C@@H](O)c1ccccc1 eff109c5ea84f3ba1b8d9f36e9b8875c [0,2,0,0,0,0|1,0,1]=4 5406 B16R1.1420 OC[C@H](NCCCS)[C@@H](O)c1ccccc1 795ec3bc4d32060fba48e06566131d62 [0,2,0,0,0,0|1,0,1]=4 5407 B16R1.1701 CC(O)(C(=O)NCCC#N)c1ccccc1 a8a21f07e101231366b94e80d115027e [0,2,0,0,0,0|1,0,1]=4 5408 B16R1.1701 CN(CCCC#N)C(C)(C)c1ccccc1 b55801e332799382e60bb56f74e2ad5f [0,2,0,0,0,0|2,0,0]=4 5409 B16R1.1701 C[C@@](O)(C(=O)NCCC#N)c1ccccc1 aee279359383013b41e51e538f2bccb3 [0,2,0,0,0,0|1,0,1]=4 5410 B16R1.1701 N#CCCNC(=O)C(F)(F)c1ccccc1 ffd3d49852d7d67231c43d8ba71a9b83 [0,2,0,0,0,0|1,0,1]=4 5411 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 8da87a16b1076521f30f2b1012ce880f [0,2,0,0,0,0|1,0,1]=4 5412 B16R1.1705 CCC(c1ccccc1)N(C)CCCC#N 5cf3d5d634e6235d265cde30822bb91f [0,2,0,0,0,0|2,0,0]=4 5413 B16R1.1705 CC[C@@H](C(=O)NCCC#N)c1ccccc1 5eb3d44717b3bc8c8fca8772d3668107 [0,2,0,0,0,0|1,0,1]=4 5414 B16R1.1705 CC[C@H](C(=O)NCCC#N)c1ccccc1 8cdbc4b2696b92fb22721090d7e04908 [0,2,0,0,0,0|1,0,1]=4 5415 B16R1.1705 CN(CCCC#N)C(C#N)c1ccccc1 f883d8dd071e9c1d98c59b80b4659859 [0,2,0,0,0,0|2,0,0]=4 5416 B16R1.1705 CN(CCCC#N)C(CO)c1ccccc1 fdd4bb87299d43dcab611e32ca0eb7d9 [0,2,0,0,0,0|2,0,0]=4 5417 B16R1.1705 CN(CCCC#N)[C@@H](CO)c1ccccc1 18677287b5a11d35c2518258fea7355a [0,2,0,0,0,0|2,0,0]=4 5418 B16R1.1705 CN(CCCC#N)[C@H](CO)c1ccccc1 35a39e1e10499a92f5ca11aadf3bb1c1 [0,2,0,0,0,0|2,0,0]=4 5419 B16R1.1705 COC(C(=O)NCCC#N)c1ccccc1 eccad5a22700e612e4587578f35c2674 [0,2,0,0,0,0|1,0,1]=4 5420 B16R1.1705 CO[C@@H](C(=O)NCCC#N)c1ccccc1 c858b0ba1794fa7c1c879d96ba2845aa [0,2,0,0,0,0|1,0,1]=4 5421 B16R1.1705 CO[C@H](C(=O)NCCC#N)c1ccccc1 a95c83f77fa9d786f4b148cd7c7c0545 [0,2,0,0,0,0|1,0,1]=4 5422 B16R1.1705 N#CCCNC(=O)C(C#N)c1ccccc1 58cc555403d1f8771ab24fe5d0e640bf [0,2,0,0,0,0|1,0,1]=4 5423 B16R1.1705 N#CCCNC(=O)C(CO)c1ccccc1 24cf1638dda92d46b98759ee1e8ac03b [0,2,0,0,0,0|1,0,1]=4 5424 B16R1.1705 N#CCCNC(=O)[C@@H](CO)c1ccccc1 c1570d8a1c881cb6b72065f20e43871e [0,2,0,0,0,0|1,0,1]=4 5425 B16R1.1705 N#CCCNC(=O)[C@H](CO)c1ccccc1 f0344b9507c2647bfc746c9b4939a83d [0,2,0,0,0,0|1,0,1]=4 5426 B16R1.2925 CC(C#N)CNC(=O)C(O)c1ccccc1 77f7dcdd2ca23fe3f59f496af600601a [0,2,0,0,0,0|1,0,1]=4 5427 B16R1.2925 CC(C#N)CNC(=O)[C@@H](O)c1ccccc1 b8455e18cf84b16626685496f4c5d720 [0,2,0,0,0,0|1,0,1]=4 5428 B16R1.2925 CC(C#N)CNC(=O)[C@H](O)c1ccccc1 504d084f973b9f2a0696dd0399df3adc [0,2,0,0,0,0|1,0,1]=4 5429 B16R1.5684 C#CCCNC(C)C(=O)c1ccccc1F 854eac945c7f324d49b7f2d869a420b1 [0,2,0,0,0,0|1,0,1]=4 5430 B16R1.5684 C#CCCOC(C)C(C)c1ccccc1C 9be0f1b2845a701c90c84d588ea7de98 [0,2,0,0,0,0|2,0,0]=4 5431 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Br 9549396a96714aba6ef95d7ac2ecb149 [0,2,0,0,0,0|1,0,1]=4 5432 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1Cl 7c8b0da429c7a63da2bf2435d560eac4 [0,2,0,0,0,0|1,0,1]=4 5433 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1F 4ff3f7490a164dd3a2793f1df2536a3a [0,2,0,0,0,0|1,0,1]=4 5434 B16R1.5684 CC(C(=O)NCCC#N)c1ccccc1I d5214a442e184cab3a04fb30625f577c [0,2,0,0,0,0|1,0,1]=4 5435 B16R1.5684 CC(NCCC#N)C(=O)c1ccccc1F d403b1ace600a240d2f505a3c9794460 [0,2,0,0,0,0|0,0,1]=3 5436 B16R1.5684 CC(OCCC#N)C(=O)c1ccccc1F cb38cd5f76035f67fe12c302f83f6e37 [0,2,0,0,0,0|1,0,1]=4 5437 B16R1.5684 Cc1ccccc1C(C)C(=O)NCCC#N c7177139e7c8680f370a400a7811cee1 [0,2,0,0,0,0|1,0,1]=4 5438 B16R1.5684 Cc1ccccc1C(C)C(C)OCCC#N b1d34399ef6825c7537bd767c3782226 [0,2,0,0,0,0|1,0,0]=3 5439 B16R1.5684 Cc1ccccc1C(C)C(C)OCSC#N 3c387d64bc51f940f2c3c2809f1c80f7 [0,2,0,0,0,0|2,0,0]=4 5440 B16R1.5684 Cc1ccccc1C(F)C(=O)NCCC#N 9476a6492a3b3e5c785cf283f354d7bd [0,2,0,0,0,0|1,0,1]=4 5441 B16R1.5684 Cc1ccccc1C(O)C(=O)NCCC#N 0ea86f4d4bb183129aac5f2ec0b935ac [0,2,0,0,0,0|1,0,1]=4 5442 B16R1.5684 N#CCCNC(=O)C(F)c1ccccc1Cl 6cdbdb017b0cf489dcb9f4dc40493f3f [0,2,0,0,0,0|1,0,1]=4 5443 B16R1.5684 N#CCCNC(=O)C(F)c1ccccc1F 4107970ee7f1018a4d623e38cd2f7589 [0,2,0,0,0,0|1,0,1]=4 5444 B16R1.5684 N#CCCNC(=O)C(O)c1ccccc1Br b20dd42632eb0b22c993389eeb05d3dc [0,2,0,0,0,0|1,0,1]=4 5445 B16R1.5684 N#CCCNC(=O)C(O)c1ccccc1Cl 015c14e84c5cc353ce71462d06c8efa4 [0,2,0,0,0,0|1,0,1]=4 5446 B16R1.5684 N#CCCNC(=O)C(O)c1ccccc1F 99bda2731ccc0ff4360781f7251d0b6b [0,2,0,0,0,0|1,0,1]=4 5447 B16R1.5684 N#CCCNC(=O)[C@@H](O)c1ccccc1Cl 8b1ba4772d6aa5892fccb81adc3bdcd4 [0,2,0,0,0,0|1,0,1]=4 5448 B16R1.5684 N#CCCNC(=O)[C@H](O)c1ccccc1Cl 7d17d4e96c3faf1c37b2290d36cad4b9 [0,2,0,0,0,0|1,0,1]=4 5449 B16R1.5684 N#CCCNC(=O)[C@H](O)c1ccccc1F 23ae164827378431ac8a6f231733adcf [0,2,0,0,0,0|1,0,1]=4 5450 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)F ebc728af53783299c4fbec73b55a5ea2 [0,2,0,0,0,0|1,0,1]=4 5451 B16R1.658 CC(CCC#N)N(C)Cc1ccc(cc1)Br f6559101d628a49330f0bec1659550cf [0,2,0,0,0,0|2,0,0]=4 5452 B16R1.658 CC(CCC#N)N(C)Cc1ccc(cc1)Cl 493285ab135e5beeb1fb2ef0a118f7fd [0,2,0,0,0,0|2,0,0]=4 5453 B16R1.658 CC(CCC#N)N(C)Cc1ccc(cc1)F 0d67514f56c2e58d9ae4f1a9435320c0 [0,2,0,0,0,0|2,0,0]=4 5454 B16R1.658 CC(CCC#N)N(C)Cc1ccc(cc1)I d4f2dd13de844466bdb6d7342a3507b5 [0,2,0,0,0,0|2,0,0]=4 5455 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)F 633d35826453f3e72f735ed0de6197a9 [0,2,0,0,0,0|1,0,1]=4 5456 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Br a580ca9479f79a1e3482c214f42ead8c [0,2,0,0,0,0|1,0,1]=4 5457 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Cl 8faed8410ac5175d71a7e762a1eee9ec [0,2,0,0,0,0|1,0,1]=4 5458 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)F b528cc235b9f59e3d84b68cb0816a3b8 [0,2,0,0,0,0|1,0,1]=4 5459 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)I 6cc7a0c4cc83c0ebfb9e5f1686d97813 [0,2,0,0,0,0|1,0,1]=4 5460 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)O b975941b50b987cd08b4c0a606815e97 [0,2,0,0,0,0|1,0,1]=4 5461 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)S 10f130862c73df863905b50ec98a83e9 [0,2,0,0,0,0|1,0,1]=4 5462 B16R1.658 CN(Cc1ccc(cc1)Br)C(=O)CCC#N 8a70fc97ffe8f1158bf426d5c1310cb4 [0,2,0,0,0,0|2,0,0]=4 5463 B16R1.658 CN(Cc1ccc(cc1)Cl)C(=O)CCC#N 75013b5fbbd5d9e22641bd505c11d688 [0,2,0,0,0,0|2,0,0]=4 5464 B16R1.658 CN(Cc1ccc(cc1)F)C(=O)CCC#N 724df0741937246390f41ba40409b0dc [0,2,0,0,0,0|2,0,0]=4 5465 B16R1.658 CN(Cc1ccc(cc1)I)C(=O)CCC#N 0d8f8dacc9867ce4517ac34777b42bad [0,2,0,0,0,0|2,0,0]=4 5466 B16R1.658 CN(Cc1ccc(cc1)O)C(=O)CCC#N 064174f669f65e963fee3012a7514611 [0,2,0,0,0,0|2,0,0]=4 5467 B16R1.658 Cc1ccc(cc1)CC(=O)N(C)CCC#N cc3285cd1d890cf61e0738d80bc10776 [0,2,0,0,0,0|1,0,1]=4 5468 B16R1.658 Cc1ccc(cc1)CN(C)C(=O)CCC#N 83482c7f3eccc98305239adf86d89b2b [0,2,0,0,0,0|2,0,0]=4 5469 B16R1.658 Cc1ccc(cc1)CN(C)C(C)CCC#N 3e4412fded597fe883604f4db329f0a2 [0,2,0,0,0,0|2,0,0]=4 5470 B16R1.955 C#CCC(=O)NC(C)Cc1ccc(cc1)O 9b52faee07955c7046a7082c3ecdc77e [0,2,0,0,0,0|1,0,1]=4 5471 B16R1.955 CC(CC#N)NC(=O)Cc1ccc(cc1)Br b2ff4c14c8b7476a7d3aba2b6c4cff1b [0,2,0,0,0,0|1,0,1]=4 5472 B16R1.955 CC(CC#N)NC(=O)Cc1ccc(cc1)Cl 6b66ef7249bdd52bc65fe3a2012d29f8 [0,2,0,0,0,0|1,0,1]=4 5473 B16R1.955 CC(CC#N)NC(=O)Cc1ccc(cc1)F 13c42179b3c0ca6e059a45a1fb9b6b47 [0,2,0,0,0,0|1,0,1]=4 5474 B16R1.955 CC(CC#N)NC(=O)Cc1ccc(cc1)I d0ce43b062a704226c4fa6dde39691db [0,2,0,0,0,0|1,0,1]=4 5475 B16R1.955 CC(CC#N)NC(=O)Cc1ccc(cc1)O a5d16275ac9a7417aa70368e4b391e57 [0,2,0,0,0,0|1,0,1]=4 5476 B16R1.955 CC(CC#N)NC(=O)Cc1ccc(cc1)S e853b3c70691ee1bf43de565a42faf7e [0,2,0,0,0,0|1,0,1]=4 5477 B16R1.955 CC(CC#N)OC(C)Cc1ccc(cc1)Br 1e79d2c7e3a929778772824a50b4a669 [0,2,0,0,0,0|1,0,0]=3 5478 B16R1.955 CC(CC#N)OC(C)Cc1ccc(cc1)Cl 36a3d7b742a25929b09f0cf4070b90c2 [0,2,0,0,0,0|1,0,0]=3 5479 B16R1.955 CC(CC#N)OC(C)Cc1ccc(cc1)F f0a55cbab7981d73d3318c1833cbc93c [0,2,0,0,0,0|1,0,0]=3 5480 B16R1.955 CC(Cc1ccc(cc1)O)NC(=O)CC#N 505b929a02f2b9cc5d2ab10576377bb5 [0,2,0,0,0,0|0,0,1]=3 5481 B16R1.955 CN(Cc1ccc(cc1)Br)CC(O)CC#N 5d175c9de6206cbbe2c776a73eab8dde [0,2,0,0,0,0|2,0,0]=4 5482 B16R1.955 CN(Cc1ccc(cc1)Br)C[C@@H](O)CC#N 41005d491ec82b5d9fbca778d613eb00 [0,2,0,0,0,0|2,0,0]=4 5483 B16R1.955 CN(Cc1ccc(cc1)Br)C[C@H](O)CC#N 350cf12fa1fffd815f52f37809b6669b [0,2,0,0,0,0|2,0,0]=4 5484 B16R1.955 CN(Cc1ccc(cc1)Cl)CC(O)CC#N dc1a650ca7efa52835a86aacc96e49c9 [0,2,0,0,0,0|2,0,0]=4 5485 B16R1.955 CN(Cc1ccc(cc1)Cl)C[C@@H](O)CC#N b5c02b639e0d9357b18cb099ba507b03 [0,2,0,0,0,0|2,0,0]=4 5486 B16R1.955 CN(Cc1ccc(cc1)Cl)C[C@H](O)CC#N 8b0970fce64de5f286eb4aaf07a531d7 [0,2,0,0,0,0|2,0,0]=4 5487 B16R1.955 CN(Cc1ccc(cc1)F)CC(O)CC#N 75d20579df9eb2098f121bb913f14f33 [0,2,0,0,0,0|2,0,0]=4 5488 B16R1.955 CN(Cc1ccc(cc1)F)C[C@@H](O)CC#N c10cadb76a952ff0b4037483943a0790 [0,2,0,0,0,0|2,0,0]=4 5489 B16R1.955 CN(Cc1ccc(cc1)F)C[C@H](O)CC#N 8b867cf829b0ff0c78535aba7ba0e4b2 [0,2,0,0,0,0|2,0,0]=4 5490 B16R1.955 CN(Cc1ccc(cc1)I)CC(O)CC#N ca8aa1bb9e8ed6fbd4cf74e026c5e5c7 [0,2,0,0,0,0|2,0,0]=4 5491 B16R1.955 CN(Cc1ccc(cc1)I)C[C@@H](O)CC#N 3d054f0b4f77a0834fa2f8201dbb3835 [0,2,0,0,0,0|2,0,0]=4 5492 B16R1.955 CN(Cc1ccc(cc1)I)C[C@H](O)CC#N 9e164ec8672c06158c24904d706efc7e [0,2,0,0,0,0|2,0,0]=4 5493 B16R1.955 Cc1ccc(cc1)CC(=O)NC(C)CC#N a45ebca73c771d42ca509bea06403729 [0,2,0,0,0,0|1,0,1]=4 5494 B16R1.955 Cc1ccc(cc1)CC(C)OC(C)CC#N 0a88aa83021835c0f9121c21d1b91fb3 [0,2,0,0,0,0|1,0,0]=3 5495 B16R1.955 Cc1ccc(cc1)CN(C)CC(O)CC#N 5dff8faf52c2d027a6e6613380b29499 [0,2,0,0,0,0|2,0,0]=4 5496 B16R1.955 Cc1ccc(cc1)CN(C)C[C@@H](O)CC#N c2949c2a9349194d983f5846218add95 [0,2,0,0,0,0|2,0,0]=4 5497 B16R1.955 Cc1ccc(cc1)CN(C)C[C@H](O)CC#N 91288df486c5a7f7bb99f851320ac83c [0,2,0,0,0,0|2,0,0]=4 5498 B16R1.1067 C=C(C)CCNC(C)Cc1ccc(cc1)F d1b29a30f2a3944bd5eb53f5e7dcb593 [0,2,0,0,0,0|1,0,1]=4 5499 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)F 420e3efd04a26e05d6426723546a1cde [0,2,0,0,0,0|1,0,1]=4 5500 B16R1.1067 CC(Cc1ccc(cc1)F)NCCC(=O)N 97887f805dff53f8e0c3ac240641a2f3 [0,2,0,0,0,0|0,0,2]=4 5501 B16R1.1067 CC(Cc1ccc(cc1)F)NCCC(=O)O fdd555b9857d5fc8b86da41bfce48ad8 [0,2,0,0,0,0|1,0,1]=4 5502 B16R1.1067 CC(Cc1ccc(cc1)F)NCCC(=S)N 0f42e43712be2fabf733c120233aa1b4 [0,2,0,0,0,0|0,0,2]=4 5503 B16R1.1067 CC(Cc1ccc(cc1)F)NCCC(F)F 15dfa01953ed71a194805b008744a6c8 [0,2,0,0,0,0|1,0,1]=4 5504 B16R1.1067 CC(Cc1ccc(cc1)F)NCCN(C)C 97300d525d5e9a65544888f7ae2d1e4f [0,2,0,0,0,0|2,0,0]=4 5505 B16R1.1067 CC(Cc1ccc(cc1)F)NCC[C@@H](C)O 402f03bf299ac4b4e009d209b8b6a483 [0,2,0,0,0,0|1,0,1]=4 5506 B16R1.1067 CC(Cc1ccc(cc1)F)NCC[C@H](C)O 0f1ec2cf634bad8ccf06d5920d2b70a5 [0,2,0,0,0,0|1,0,1]=4 5507 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)F 0574146b0e8f05952031d67ec15073a3 [0,2,0,0,0,0|1,0,1]=4 5508 B16R1.1147 C=C(C#N)COC(C)Cc1ccc(cc1)Br 8f41c44c3f705cfb703eeed2eaf746a8 [0,2,0,0,0,0|1,0,1]=4 5509 B16R1.1147 C=C(C#N)COC(C)Cc1ccc(cc1)C f0381c69435ba4d4e44bd91ff63967c1 [0,2,0,0,0,0|1,0,1]=4 5510 B16R1.1147 C=C(C#N)COC(C)Cc1ccc(cc1)Cl 10732ac58e3a6935f8da26cf7adaf3b8 [0,2,0,0,0,0|1,0,1]=4 5511 B16R1.1147 C=C(C#N)COC(C)Cc1ccc(cc1)F adadede6d67ea1b5e7a032afed3ff1e9 [0,2,0,0,0,0|1,0,1]=4 5512 B16R1.1147 C=CC(O)CNC(C)Cc1ccc(cc1)F 6ef47de2f242315ffed9ccae86a0cd09 [0,2,0,0,0,0|1,0,1]=4 5513 B16R1.1147 CC(C#N)CNC(=O)Cc1ccc(cc1)Br bc894ab45de767ca97503c2878200fb1 [0,2,0,0,0,0|1,0,1]=4 5514 B16R1.1147 CC(C#N)CNC(=O)Cc1ccc(cc1)Cl 9e1216046935b55008cba4f3d2e3a8b0 [0,2,0,0,0,0|1,0,1]=4 5515 B16R1.1147 CC(C#N)CNC(=O)Cc1ccc(cc1)F 1e2d376e93b0ec4c0e8ab16a1825b8fb [0,2,0,0,0,0|1,0,1]=4 5516 B16R1.1147 CC(C#N)CNC(=O)Cc1ccc(cc1)I f8b8819aa37fb2fbe0afaca318d30802 [0,2,0,0,0,0|1,0,1]=4 5517 B16R1.1147 CC(C#N)CNC(=O)Cc1ccc(cc1)O 2af9d6afb9067cd2118bf0a56d8e52bf [0,2,0,0,0,0|1,0,1]=4 5518 B16R1.1147 CC(C#N)CNC(=O)Cc1ccc(cc1)S 3ce598215457408da11a907c904f807b [0,2,0,0,0,0|1,0,1]=4 5519 B16R1.1147 CC(C#N)CNC(C)Cc1ccc(cc1)F 44dd080bb0268eed25d1e45accebf2ef [0,2,0,0,0,0|0,0,0]=2 5520 B16R1.1147 CC(C#N)COC(C)Cc1ccc(cc1)Br 2ccfb968af3e050bf6f4362cc124df53 [0,2,0,0,0,0|1,0,0]=3 5521 B16R1.1147 CC(C#N)COC(C)Cc1ccc(cc1)F edeb0efe26269b04cb7dca21eb09a057 [0,2,0,0,0,0|1,0,0]=3 5522 B16R1.1147 CC(Cc1ccc(cc1)F)NCC(Br)CBr 5ba1561c1c455650bc1b26ebd8d59755 [0,2,0,0,0,0|1,0,1]=4 5523 B16R1.1147 CC(Cc1ccc(cc1)F)NCC(F)CO b013f2fe3d18234343f3b4d2f601509a [0,2,0,0,0,0|1,0,1]=4 5524 B16R1.1147 CC(Cc1ccc(cc1)F)NCC(O)CO f975a5eeec136bcbdb1ce8f91eee3b84 [0,2,0,0,0,0|1,0,1]=4 5525 B16R1.1147 CC(Cc1ccc(cc1)F)NC[C@@H](F)CO a92aee26a2cea04cc133db24b575cb1c [0,2,0,0,0,0|1,0,1]=4 5526 B16R1.1147 CC(Cc1ccc(cc1)F)NC[C@@H](O)CO 5d0cec727ea61a02fd9f2270f73d88ff [0,2,0,0,0,0|1,0,1]=4 5527 B16R1.1147 CC(Cc1ccc(cc1)F)NC[C@H](F)CO 71b4663739fdfac54e358295c6cf314c [0,2,0,0,0,0|1,0,1]=4 5528 B16R1.1147 CC(Cc1ccc(cc1)F)NC[C@H](O)CO 8bf6db772c27c8528e09a5626ea1b7b4 [0,2,0,0,0,0|1,0,1]=4 5529 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)F 725eac064fde3a045a8ebd0ef9b818b1 [0,2,0,0,0,0|1,0,1]=4 5530 B16R1.1147 CC[C@@H](O)CNC(C)Cc1ccc(cc1)F 23ee099f8d78ae686cb7b851b2ce793c [0,2,0,0,0,0|1,0,1]=4 5531 B16R1.1147 CO[C@@H](C)CNC(C)Cc1ccc(cc1)F 188711420610db0d13eda28ee15f3705 [0,2,0,0,0,0|2,0,0]=4 5532 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)F 613072f3fe6e35429d62459e5d18147b [0,2,0,0,0,0|2,0,0]=4 5533 B16R1.1147 Cc1ccc(cc1)CC(=O)NCC(C)C#N b627421013a28df78b6c9880deb22a26 [0,2,0,0,0,0|1,0,1]=4 5534 B16R1.1147 Cc1ccc(cc1)CC(C)OCC(C)C#N 09af8600da47338839b46757752df8e6 [0,2,0,0,0,0|1,0,0]=3 5535 B16R1.1230 C#CCCNC(CC)Cc1ccc(cc1)F c11468530fcca2ce9a889d8d726cdebe [0,2,0,0,0,0|1,0,0]=3 5536 B16R1.1230 C#CCCNC(CO)Cc1ccc(cc1)C 4912818e217e329724b5be4fb8aa7586 [0,2,0,0,0,0|1,0,0]=3 5537 B16R1.1230 C#CCCNC(CO)Cc1ccc(cc1)Cl d51bdadd6f4c394d9363707e40a06236 [0,2,0,0,0,0|1,0,0]=3 5538 B16R1.1230 C#CCCNC(CO)Cc1ccc(cc1)F 312e27fbb1e99dd64a350810cb729ad3 [0,2,0,0,0,0|1,0,0]=3 5539 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)Br d39840609ae346cef2ca715a83ab337c [0,2,0,0,0,0|1,0,0]=3 5540 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)Cl 428562215f975edb9141fe890bd6b00e [0,2,0,0,0,0|1,0,0]=3 5541 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)F 56388dcb764ed072e922a759221c8dd9 [0,2,0,0,0,0|1,0,0]=3 5542 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)I c30c47346f8c3ed5db9f5323526ddf70 [0,2,0,0,0,0|1,0,0]=3 5543 B16R1.1230 C#CCCN[C@H](CO)Cc1ccc(cc1)Br 07e4dee6cf72ca22b291254afc2b06c7 [0,2,0,0,0,0|1,0,0]=3 5544 B16R1.1230 C#CCCN[C@H](CO)Cc1ccc(cc1)C e82f3d2f10cdc7ce71c5d74b28f4ac0e [0,2,0,0,0,0|1,0,0]=3 5545 B16R1.1230 C#CCCN[C@H](CO)Cc1ccc(cc1)Cl 789a025b601efae8de90e9f9da710a66 [0,2,0,0,0,0|1,0,0]=3 5546 B16R1.1230 C#CCCN[C@H](CO)Cc1ccc(cc1)F bee5c30616a077e06e8a57810ca25c6a [0,2,0,0,0,0|1,0,0]=3 5547 B16R1.1230 C=CCCNC(CC)Cc1ccc(cc1)F 8db356046e7d700564a0648932885598 [0,2,0,0,0,0|1,0,1]=4 5548 B16R1.1230 C=CCCNC(CO)Cc1ccc(cc1)C 335e4dc549e40914c88b28accd8d343a [0,2,0,0,0,0|1,0,1]=4 5549 B16R1.1230 C=CCCNC(CO)Cc1ccc(cc1)Cl cd6f7467736e8309ade2d4d92304a4c7 [0,2,0,0,0,0|1,0,1]=4 5550 B16R1.1230 C=CCCNC(CO)Cc1ccc(cc1)F be30bf7607e3542eca1745bcaa056969 [0,2,0,0,0,0|1,0,1]=4 5551 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)Br f2e9429345bd8cf7082bf9bdc471d7d3 [0,2,0,0,0,0|1,0,1]=4 5552 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)Cl 85eea40dcc443e81d882f08f875c5877 [0,2,0,0,0,0|1,0,1]=4 5553 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)F 969a5d853b89da3809850e4e13482716 [0,2,0,0,0,0|1,0,1]=4 5554 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)I e5af915b566f645abec37092a753e65e [0,2,0,0,0,0|1,0,1]=4 5555 B16R1.1230 C=CCCN[C@H](CO)Cc1ccc(cc1)Br d0000603f14c229d2931decf240980a1 [0,2,0,0,0,0|1,0,1]=4 5556 B16R1.1230 C=CCCN[C@H](CO)Cc1ccc(cc1)C 40defab48bb9e8f622f1a97fbc09e67e [0,2,0,0,0,0|1,0,1]=4 5557 B16R1.1230 C=CCCN[C@H](CO)Cc1ccc(cc1)Cl 8b7036478cfd8047127c49b93b916e67 [0,2,0,0,0,0|1,0,1]=4 5558 B16R1.1230 C=CCCN[C@H](CO)Cc1ccc(cc1)F 4e641b4046a62fa4a4ca052d2ef3ca80 [0,2,0,0,0,0|1,0,1]=4 5559 B16R1.1230 CCC(Cc1ccc(cc1)F)NCCC#N 767283558fdae1de211a1ff829106b45 [0,2,0,0,0,0|0,0,0]=2 5560 B16R1.1230 CCC(Cc1ccc(cc1)F)NCCC=O a86e58dca4e65b1a9ac1c776c084af9c [0,2,0,0,0,0|1,0,1]=4 5561 B16R1.1230 CCC(Cc1ccc(cc1)F)NCCCF 1a2b4a265fb8860516e7261d34dcd93c [0,2,0,0,0,0|1,0,1]=4 5562 B16R1.1230 CCC(Cc1ccc(cc1)F)NCCCO a07fc87d3e29076c5b33677ac923b078 [0,2,0,0,0,0|1,0,1]=4 5563 B16R1.1230 CCC(Cc1ccc(cc1)F)NCCCS 7832278d11d8e7baadad26600f238db6 [0,2,0,0,0,0|1,0,1]=4 5564 B16R1.1230 CCC(Cc1ccc(cc1)F)NCCOC a2c24bf3c8555c5e1967e3bbbec784db [0,2,0,0,0,0|2,0,0]=4 5565 B16R1.1230 CCC(Cc1ccc(cc1)F)NCCSC 8e6161ec9a96ec8eff4ce651bb2ade8e [0,2,0,0,0,0|2,0,0]=4 5566 B16R1.1230 CCC(Cc1ccc(cc1)F)NCSC#N 4908ca5016e1844af562d172f65c6c51 [0,2,0,0,0,0|1,0,0]=3 5567 B16R1.1230 CCCCNC(CC)Cc1ccc(cc1)F f64c630aa4d3e5a89bbd998fd787b435 [0,2,0,0,0,0|1,0,1]=4 5568 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)C 6211cfc55d2a7fcd1879dc7bcdc32596 [0,2,0,0,0,0|1,0,1]=4 5569 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 446c715ef44d5f2eb303a09033100fe5 [0,2,0,0,0,0|1,0,1]=4 5570 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)F dfe6aef743ffa7d4bf45f3a14837c906 [0,2,0,0,0,0|1,0,1]=4 5571 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)Br f17a2f5a71df0ca372980245e64f4a52 [0,2,0,0,0,0|1,0,1]=4 5572 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)Cl b2489bb02e0e25e0688234511892dcbb [0,2,0,0,0,0|1,0,1]=4 5573 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)F b7990bb7f50672c7b542c5e818671677 [0,2,0,0,0,0|1,0,1]=4 5574 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)I 5a974c43518cb5410064d869eb34499b [0,2,0,0,0,0|1,0,1]=4 5575 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)Br 0bc2fa8909fb4064a9ca8347da95c7ec [0,2,0,0,0,0|1,0,1]=4 5576 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)C 2ce4a7b836cfc8908a6795c3913537af [0,2,0,0,0,0|1,0,1]=4 5577 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)Cl 5301119a970fa0186bf01cfbf68a29c7 [0,2,0,0,0,0|1,0,1]=4 5578 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)F 710fdfb730a10d8cb5b2d8d11972b9cf [0,2,0,0,0,0|1,0,1]=4 5579 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)Br 9ba02be89eda796c24caec6de5960ef5 [0,2,0,0,0,0|2,0,0]=4 5580 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)C 5d4acaf6e7b32bfc21c57f890f911930 [0,2,0,0,0,0|2,0,0]=4 5581 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)Cl 8eb22c18e974afae88a933f73d2c0e17 [0,2,0,0,0,0|2,0,0]=4 5582 B16R1.1230 CCN(CCCC#N)Cc1ccc(cc1)F 691e0df7f3cfb93adb8e5ba6d66cc2fa [0,2,0,0,0,0|2,0,0]=4 5583 B16R1.1230 COCCNC(CO)Cc1ccc(cc1)C 034b47f1d0c51c21d1bf8a8b422ee653 [0,2,0,0,0,0|2,0,0]=4 5584 B16R1.1230 COCCNC(CO)Cc1ccc(cc1)Cl dd7934ee4a920dcc684aaaa759352ed2 [0,2,0,0,0,0|2,0,0]=4 5585 B16R1.1230 COCCNC(CO)Cc1ccc(cc1)F 598f72cf84222e026e03844fe74c7564 [0,2,0,0,0,0|2,0,0]=4 5586 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)Br 854a840f8065cb45e994ebe434d86576 [0,2,0,0,0,0|2,0,0]=4 5587 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)Cl 1566de98735b9ccd771a671676db2ba0 [0,2,0,0,0,0|2,0,0]=4 5588 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)F 12c3c16778b541cf9871c16866294584 [0,2,0,0,0,0|2,0,0]=4 5589 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)I 5fe0107ead6bebbcf4a161efdd5461df [0,2,0,0,0,0|2,0,0]=4 5590 B16R1.1230 COCCN[C@H](CO)Cc1ccc(cc1)Br b89be942daeaca63552176b753f8053d [0,2,0,0,0,0|2,0,0]=4 5591 B16R1.1230 COCCN[C@H](CO)Cc1ccc(cc1)C 0022bf0b44f3e200315cecc51d896940 [0,2,0,0,0,0|2,0,0]=4 5592 B16R1.1230 COCCN[C@H](CO)Cc1ccc(cc1)Cl cdcf3bc9a2708026239b441ff95cc2fc [0,2,0,0,0,0|2,0,0]=4 5593 B16R1.1230 COCCN[C@H](CO)Cc1ccc(cc1)F f9039360e2dc2eadb6a52bfe72e881c7 [0,2,0,0,0,0|2,0,0]=4 5594 B16R1.1230 CSCCNC(CO)Cc1ccc(cc1)C 555fd87e3dbf956fa71c05a0359bb518 [0,2,0,0,0,0|2,0,0]=4 5595 B16R1.1230 CSCCNC(CO)Cc1ccc(cc1)Cl 0ca3e7167c872a79817026cccfb92878 [0,2,0,0,0,0|2,0,0]=4 5596 B16R1.1230 CSCCNC(CO)Cc1ccc(cc1)F 040f68e750d5695ce8dacf27e23a6373 [0,2,0,0,0,0|2,0,0]=4 5597 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)Br 4d661fae15cb20bbf2490fb9f45c2b0e [0,2,0,0,0,0|2,0,0]=4 5598 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)Cl 6cdd8b0a0fdb290f3a9a6f282673743e [0,2,0,0,0,0|2,0,0]=4 5599 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)F 650ced95dfa94c7a7baeb8fb4ce5cf3b [0,2,0,0,0,0|2,0,0]=4 5600 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)I 58e5f9c275fba32269603f270f5ac69b [0,2,0,0,0,0|2,0,0]=4 5601 B16R1.1230 CSCCN[C@H](CO)Cc1ccc(cc1)Br 028b773dd01503550f9b9c3db9a60c4c [0,2,0,0,0,0|2,0,0]=4 5602 B16R1.1230 CSCCN[C@H](CO)Cc1ccc(cc1)C 5f2d5b96d33a1ba2682a1888458e19c4 [0,2,0,0,0,0|2,0,0]=4 5603 B16R1.1230 CSCCN[C@H](CO)Cc1ccc(cc1)Cl 31aa41e134cf560283692cc568f8ecb7 [0,2,0,0,0,0|2,0,0]=4 5604 B16R1.1230 CSCCN[C@H](CO)Cc1ccc(cc1)F 5d4043b066045d0806100bf812f5fad0 [0,2,0,0,0,0|2,0,0]=4 5605 B16R1.1230 Cc1ccc(cc1)CC(CO)NCCC#N 1e94f19884a26f88333f2c88db9e8ff0 [0,2,0,0,0,0|0,0,0]=2 5606 B16R1.1230 Cc1ccc(cc1)CC(CO)NCCC=O dfd5f1d0bbb5eaf68cced79fcefe5923 [0,2,0,0,0,0|1,0,1]=4 5607 B16R1.1230 Cc1ccc(cc1)CC(CO)NCCCF aaf49a172d78a473181919e8e0dbd913 [0,2,0,0,0,0|1,0,1]=4 5608 B16R1.1230 Cc1ccc(cc1)CC(CO)NCCCO d2dee1c5561982afcc9b14950bdc4e68 [0,2,0,0,0,0|1,0,1]=4 5609 B16R1.1230 Cc1ccc(cc1)CC(CO)NCCCS 7a5b395188607ee7f9d4811d1f8313bf [0,2,0,0,0,0|1,0,1]=4 5610 B16R1.1230 Cc1ccc(cc1)CC(CO)NCSC#N a4647501c99fe66f31f40300b760c3bb [0,2,0,0,0,0|1,0,0]=3 5611 B16R1.1230 Cc1ccc(cc1)C[C@@H](CO)NCCC#N 8740a0c4ebb6a8000bec3611f890ffef [0,2,0,0,0,0|0,0,0]=2 5612 B16R1.1230 Cc1ccc(cc1)C[C@@H](CO)NCCC=O dd232abc0209b41703d28ba7d67b9f7a [0,2,0,0,0,0|1,0,1]=4 5613 B16R1.1230 Cc1ccc(cc1)C[C@@H](CO)NCCCF b2bba42c0863deb0a9453ea46585e4ab [0,2,0,0,0,0|1,0,1]=4 5614 B16R1.1230 Cc1ccc(cc1)C[C@@H](CO)NCCCO c1f42a672098f33a8e5db6d2bb5a9a34 [0,2,0,0,0,0|1,0,1]=4 5615 B16R1.1230 Cc1ccc(cc1)C[C@@H](CO)NCCCS 994773513e449112475906eb3af66182 [0,2,0,0,0,0|1,0,1]=4 5616 B16R1.1230 Cc1ccc(cc1)C[C@@H](CO)NCSC#N 8f3226195ba4ea5d2b5345f12dedd4aa [0,2,0,0,0,0|1,0,0]=3 5617 B16R1.1230 N#CCCNC(CO)Cc1ccc(cc1)Cl d68516f9937c162e7f596a0ae657601b [0,2,0,0,0,0|0,0,0]=2 5618 B16R1.1230 N#CCCNC(CO)Cc1ccc(cc1)F beed82a29580cb8221a246a388c21a87 [0,2,0,0,0,0|0,0,0]=2 5619 B16R1.1230 N#CCCN[C@@H](CO)Cc1ccc(cc1)Br 02d2d61edf6d5e83252e52a9c7f183b8 [0,2,0,0,0,0|0,0,0]=2 5620 B16R1.1230 N#CCCN[C@@H](CO)Cc1ccc(cc1)Cl e1536b6539511ad83ecc08093e491d2e [0,2,0,0,0,0|0,0,0]=2 5621 B16R1.1230 N#CCCN[C@@H](CO)Cc1ccc(cc1)F 0dc526f44246e1bbede9aae503556fa5 [0,2,0,0,0,0|0,0,0]=2 5622 B16R1.1230 N#CCCN[C@@H](CO)Cc1ccc(cc1)I e5e6263e9da7b0e7d138f4ac3240276b [0,2,0,0,0,0|0,0,0]=2 5623 B16R1.1230 N#CCCN[C@H](CO)Cc1ccc(cc1)Br e3e6706fc3aa250ff58294486c10bdc5 [0,2,0,0,0,0|0,0,0]=2 5624 B16R1.1230 N#CCCN[C@H](CO)Cc1ccc(cc1)Cl 0be300f3c88cb9159ffa7ec22db0bb35 [0,2,0,0,0,0|0,0,0]=2 5625 B16R1.1230 N#CCCN[C@H](CO)Cc1ccc(cc1)F dd538ee413c69973e78b236747b30149 [0,2,0,0,0,0|0,0,0]=2 5626 B16R1.1230 N#CSCNC(CO)Cc1ccc(cc1)F 9dee539edca19d124a94795f03da55e6 [0,2,0,0,0,0|1,0,0]=3 5627 B16R1.1230 N#CSCN[C@@H](CO)Cc1ccc(cc1)F 284eb6cc26f47c25fcfa9e8b36fc35f7 [0,2,0,0,0,0|1,0,0]=3 5628 B16R1.1230 N#CSCN[C@@H](CO)Cc1ccc(cc1)I 46b710df66bc64960949b899143ba459 [0,2,0,0,0,0|1,0,0]=3 5629 B16R1.1230 N#CSCN[C@H](CO)Cc1ccc(cc1)F 9517f2353dbc1fc4e0beed061dc38ee2 [0,2,0,0,0,0|1,0,0]=3 5630 B16R1.1230 O=CCCNC(CO)Cc1ccc(cc1)Cl 1dc841f7211d8174421b8c412ba4af8d [0,2,0,0,0,0|1,0,1]=4 5631 B16R1.1230 O=CCCNC(CO)Cc1ccc(cc1)F 40093f0abcf1b57658f30e6b894a3a64 [0,2,0,0,0,0|1,0,1]=4 5632 B16R1.1230 O=CCCN[C@@H](CO)Cc1ccc(cc1)Br 81541fa6c96a9e68b0c1b53b13d156ac [0,2,0,0,0,0|1,0,1]=4 5633 B16R1.1230 O=CCCN[C@@H](CO)Cc1ccc(cc1)Cl 4a74caa2ae1ce238692651027bdfc1b3 [0,2,0,0,0,0|1,0,1]=4 5634 B16R1.1230 O=CCCN[C@@H](CO)Cc1ccc(cc1)F f542eab74d2a0f1d27407572841723bb [0,2,0,0,0,0|1,0,1]=4 5635 B16R1.1230 O=CCCN[C@@H](CO)Cc1ccc(cc1)I 51f04a64dbe5aac5ef32c6d05744a86e [0,2,0,0,0,0|1,0,1]=4 5636 B16R1.1230 O=CCCN[C@H](CO)Cc1ccc(cc1)Br 47ea902accb68a41943fcb237a3abe08 [0,2,0,0,0,0|1,0,1]=4 5637 B16R1.1230 O=CCCN[C@H](CO)Cc1ccc(cc1)Cl f75d838590c7dfd2e9131f535de857eb [0,2,0,0,0,0|1,0,1]=4 5638 B16R1.1230 O=CCCN[C@H](CO)Cc1ccc(cc1)F 4f3a601becb404979ca2da8fe6ef62bf [0,2,0,0,0,0|1,0,1]=4 5639 B16R1.1230 OCC(Cc1ccc(cc1)Cl)NCCCF 057394ae902080b4333bda6029b5a786 [0,2,0,0,0,0|1,0,1]=4 5640 B16R1.1230 OCC(Cc1ccc(cc1)Cl)NCCCS 092582001fdd264a7e931a61925eb33d [0,2,0,0,0,0|1,0,1]=4 5641 B16R1.1230 OCC(Cc1ccc(cc1)F)NCCCF a16581d3347eb71c0bbddde8867ac7ff [0,2,0,0,0,0|1,0,1]=4 5642 B16R1.1230 OCC(Cc1ccc(cc1)F)NCCCS 61ebaf45307bb97a0dc07ba7fc37763e [0,2,0,0,0,0|1,0,1]=4 5643 B16R1.1230 OCCCNC(CO)Cc1ccc(cc1)Cl 7fe15a0868cf90faf1b175e2c133dc71 [0,2,0,0,0,0|1,0,1]=4 5644 B16R1.1230 OCCCNC(CO)Cc1ccc(cc1)F 3b5d5ac791c14919a0349649e54fc12b [0,2,0,0,0,0|1,0,1]=4 5645 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)Br 662110212972aa099cdfe289cbcbdaba [0,2,0,0,0,0|1,0,1]=4 5646 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)Cl 51ae97bfe9f3e9058e8c291834e8c61c [0,2,0,0,0,0|1,0,1]=4 5647 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)F 41f2a520f892a10760c91ae8952622d8 [0,2,0,0,0,0|1,0,1]=4 5648 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)I 56dd0432b0c794a3df521edcc723a219 [0,2,0,0,0,0|1,0,1]=4 5649 B16R1.1230 OCCCN[C@H](CO)Cc1ccc(cc1)Br f1de903f9c059415889c513f8e22484d [0,2,0,0,0,0|1,0,1]=4 5650 B16R1.1230 OCCCN[C@H](CO)Cc1ccc(cc1)Cl 09f28b7ba2f719de6a57988f4e438d05 [0,2,0,0,0,0|1,0,1]=4 5651 B16R1.1230 OCCCN[C@H](CO)Cc1ccc(cc1)F 64312d88e37159defe74bd9333124c1e [0,2,0,0,0,0|1,0,1]=4 5652 B16R1.1230 OC[C@@H](Cc1ccc(cc1)Br)NCCCF d76bfdcf2ca1a61e44aeca50c2f8e4d1 [0,2,0,0,0,0|1,0,1]=4 5653 B16R1.1230 OC[C@@H](Cc1ccc(cc1)Br)NCCCS 113407a33ab515a79194e0507ec3605e [0,2,0,0,0,0|1,0,1]=4 5654 B16R1.1230 OC[C@@H](Cc1ccc(cc1)Cl)NCCCF b2e8ff97297f5e441245c17d36664a1b [0,2,0,0,0,0|1,0,1]=4 5655 B16R1.1230 OC[C@@H](Cc1ccc(cc1)Cl)NCCCS 595b581a2f5675ec3c21ec1a8b377151 [0,2,0,0,0,0|1,0,1]=4 5656 B16R1.1230 OC[C@@H](Cc1ccc(cc1)F)NCCCF 4876ea5dda295f3b823d0c15a6744711 [0,2,0,0,0,0|1,0,1]=4 5657 B16R1.1230 OC[C@@H](Cc1ccc(cc1)F)NCCCS 6c78380eb4ac17a9b8d94a444fbfbde9 [0,2,0,0,0,0|1,0,1]=4 5658 B16R1.1230 OC[C@@H](Cc1ccc(cc1)I)NCCCF cea31377607dae6ffa02295aa3b81f0f [0,2,0,0,0,0|1,0,1]=4 5659 B16R1.1230 OC[C@@H](Cc1ccc(cc1)I)NCCCS 24a01f2062f246855c8018a13845e2e7 [0,2,0,0,0,0|1,0,1]=4 5660 B16R1.1230 OC[C@H](Cc1ccc(cc1)Br)NCCCF 3b5532c822d175a41cc0aaf2f15aa58f [0,2,0,0,0,0|1,0,1]=4 5661 B16R1.1230 OC[C@H](Cc1ccc(cc1)Br)NCCCS a3517fa851938de3c192978632656f79 [0,2,0,0,0,0|1,0,1]=4 5662 B16R1.1230 OC[C@H](Cc1ccc(cc1)Cl)NCCCF 561482f7f2cb8258aa93fea6c6f46ba2 [0,2,0,0,0,0|1,0,1]=4 5663 B16R1.1230 OC[C@H](Cc1ccc(cc1)Cl)NCCCS 0ef77f395d37363efc24a1cc2473f0bc [0,2,0,0,0,0|1,0,1]=4 5664 B16R1.1230 OC[C@H](Cc1ccc(cc1)F)NCCCF c7f3c6db642ad8837732442a83fcf781 [0,2,0,0,0,0|1,0,1]=4 5665 B16R1.1230 OC[C@H](Cc1ccc(cc1)F)NCCCS ec85b1e139fa786c1eadc36aedbf5c04 [0,2,0,0,0,0|1,0,1]=4 5666 B16R1.7382 C#CCCOC(C)Cc1ccc(cc1)CC 6934c77eccbddf69174505783c52b406 [0,2,0,0,0,0|2,0,0]=4 5667 B16R1.7382 C#CCCOC(C)Cc1ccc(cc1)OC 04924bc4cb72d2e35f1a8fff1372d6c9 [0,2,0,0,0,0|2,0,0]=4 5668 B16R1.7382 C#Cc1ccc(cc1)CC(=O)NCCC#N 67e052b76df3224b727931a7bce7ffcb [0,2,0,0,0,0|1,0,1]=4 5669 B16R1.7382 CCc1ccc(cc1)CC(=O)NCCC#N 727b9fe76424f6d2230152d5c555a873 [0,2,0,0,0,0|1,0,1]=4 5670 B16R1.7382 CCc1ccc(cc1)CC(C)OCCC#N 5e05fb577b333c199592c670a6787029 [0,2,0,0,0,0|1,0,0]=3 5671 B16R1.7382 CCc1ccc(cc1)CC(C)OCSC#N 897f19d46a571b5bccf7fcd3587ce019 [0,2,0,0,0,0|2,0,0]=4 5672 B16R1.7382 CCc1ccc(cc1)CN(C)CCCC#N 89dda66d3f7bf2b5eb1f6c91459786ce [0,2,0,0,0,0|2,0,0]=4 5673 B16R1.7382 CN(CCCC#N)Cc1ccc(cc1)C#N 3eb46ed2d6026efc44f724c1fe57f209 [0,2,0,0,0,0|2,0,0]=4 5674 B16R1.7382 COc1ccc(cc1)CC(=O)NCCC#N 06737d4ab98e9b0ab0fd008837660ff7 [0,2,0,0,0,0|1,0,1]=4 5675 B16R1.7382 COc1ccc(cc1)CC(C)COCC#N f37ac8fdbf63d49defa9a313384ade66 [0,2,0,0,0,0|2,0,0]=4 5676 B16R1.7382 COc1ccc(cc1)CC(C)OCCC#N fc54ec50af1305fbc948464cdda8d460 [0,2,0,0,0,0|1,0,0]=3 5677 B16R1.7382 COc1ccc(cc1)CC(C)OCSC#N 9f18ba3d6497a8b298969c44024ca8c9 [0,2,0,0,0,0|2,0,0]=4 5678 B16R1.7382 COc1ccc(cc1)CN(C)CCCC#N 0554e699c7297f9b0e4d519625a52e9e [0,2,0,0,0,0|2,0,0]=4 5679 B16R1.7382 CSc1ccc(cc1)CC(=O)NCCC#N ad9766639c095091a3674e3925b7ec25 [0,2,0,0,0,0|1,0,1]=4 5680 B16R1.7382 CSc1ccc(cc1)CN(C)CCCC#N 1c06aa6b8c3b16ed0b92328a58db13ce [0,2,0,0,0,0|2,0,0]=4 5681 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N 928a8209ce71efa464b63c658a713bef [0,2,0,0,0,0|1,0,1]=4 5682 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C=O 7282733cc53dc064df127f5569e655a5 [0,2,0,0,0,0|1,0,1]=4 5683 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)CO 0c253f280f3b3b99329fbea086873e62 [0,2,0,0,0,0|1,0,1]=4 5684 B16R1.7393 C#CCCNC(C)Cc1ccc(c(c1)Cl)Cl ff1dbf52e5d89e1c8b2a78b980e2d792 [0,2,0,0,0,0|1,0,0]=3 5685 B16R1.7393 C#CCCOC(C)Cc1ccc(c(c1)F)F c378019455e38ba5627d10d336aae026 [0,2,0,0,0,0|2,0,0]=4 5686 B16R1.7393 C=CCCNC(C)Cc1ccc(c(c1)Cl)Cl b2d4cb5e609c51e4cf6ad598bfced7b5 [0,2,0,0,0,0|1,0,1]=4 5687 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCC#N 35cace1b1be384659241ca12989315e4 [0,2,0,0,0,0|0,0,0]=2 5688 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCC=O 68eb0b42325ede3cea409bece18e5709 [0,2,0,0,0,0|1,0,1]=4 5689 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCCF 16eb69b69556b935e6f1234fcaf39521 [0,2,0,0,0,0|1,0,1]=4 5690 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCCO 1def51e06ac05695f5788481716492b5 [0,2,0,0,0,0|1,0,1]=4 5691 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCCS cc3b73975968a919947d508789740b8e [0,2,0,0,0,0|1,0,1]=4 5692 B16R1.7393 CC(Cc1ccc(c(c1)F)F)OCCC#N ee57a1dd64349478f46cae1df2885652 [0,2,0,0,0,0|1,0,0]=3 5693 B16R1.7393 CC(Cc1ccc(c(c1)F)F)OCSC#N c59ed17641772e14abf98e9f74b435a6 [0,2,0,0,0,0|2,0,0]=4 5694 B16R1.7393 CCCCNC(C)Cc1ccc(c(c1)Cl)Cl 87a719ceb7377101d86d016de698ffc0 [0,2,0,0,0,0|1,0,1]=4 5695 B16R1.7393 CN(CCCC#N)Cc1ccc(c(c1)Br)F ea17a35eaf26e621389ce855644232da [0,2,0,0,0,0|2,0,0]=4 5696 B16R1.7393 CN(CCCC#N)Cc1ccc(c(c1)Cl)Cl e7d873880ec4f4e42c90f805a5d1938d [0,2,0,0,0,0|2,0,0]=4 5697 B16R1.7393 CN(CCCC#N)Cc1ccc(c(c1)Cl)F 1d53416666a8443c1f680438a2e0683f [0,2,0,0,0,0|2,0,0]=4 5698 B16R1.7393 CN(CCCC#N)Cc1ccc(c(c1)F)Cl c36e500592bd1b764e0f6062ed486361 [0,2,0,0,0,0|2,0,0]=4 5699 B16R1.7393 CN(CCCC#N)Cc1ccc(c(c1)F)F 57634b244e8f62a84c02193c1d2e01b2 [0,2,0,0,0,0|2,0,0]=4 5700 B16R1.7393 COCCNC(C)Cc1ccc(c(c1)Cl)Cl f0aaa75926c525c1c14b85207caf5525 [0,2,0,0,0,0|2,0,0]=4 5701 B16R1.7393 CSCCNC(C)Cc1ccc(c(c1)Cl)Cl 5890e1a0125717baf55276eeca2b737a [0,2,0,0,0,0|2,0,0]=4 5702 B16R1.7393 Cc1cc(ccc1Br)CC(=O)NCCC#N e9024691666d31498e078883da072bf6 [0,2,0,0,0,0|1,0,1]=4 5703 B16R1.7393 Cc1cc(ccc1Br)CN(C)CCCC#N 407cd28e39bd03f9a4c64f406e697c35 [0,2,0,0,0,0|2,0,0]=4 5704 B16R1.7393 Cc1cc(ccc1Cl)CC(=O)NCCC#N d83645154fe292fe737199b066cc07c5 [0,2,0,0,0,0|1,0,1]=4 5705 B16R1.7393 Cc1cc(ccc1F)CC(=O)NCCC#N 6fb76c5c1b460352d02a82a5a32b7685 [0,2,0,0,0,0|1,0,1]=4 5706 B16R1.7393 Cc1cc(ccc1O)CC(=O)NCCC#N 3a990e923119778ff98358204caff8a5 [0,2,0,0,0,0|1,0,1]=4 5707 B16R1.7393 Cc1ccc(cc1Br)CC(=O)NCCC#N f8b9350a335e1d7c4451f38ad56fb3cf [0,2,0,0,0,0|1,0,1]=4 5708 B16R1.7393 Cc1ccc(cc1C)CC(=O)NCCC#N da6909520f0327ab54587d4e287d446a [0,2,0,0,0,0|1,0,1]=4 5709 B16R1.7393 Cc1ccc(cc1C)CN(C)CCCC#N 3dcf8b591aa73e85cba9991cbda667b7 [0,2,0,0,0,0|2,0,0]=4 5710 B16R1.7393 Cc1ccc(cc1Cl)CC(=O)NCCC#N 95a336446aaca1182119859ecbca0095 [0,2,0,0,0,0|1,0,1]=4 5711 B16R1.7393 Cc1ccc(cc1Cl)CN(C)CCCC#N 965b645bfa2b2a6b965da5c07c55507a [0,2,0,0,0,0|2,0,0]=4 5712 B16R1.7393 Cc1ccc(cc1F)CC(=O)NCCC#N 0aaf2f7051915b3858daffe1aeaa6582 [0,2,0,0,0,0|1,0,1]=4 5713 B16R1.7393 Cc1ccc(cc1F)CC(C)COCC#N 65bee55910346f5ca7d818719238981f [0,2,0,0,0,0|2,0,0]=4 5714 B16R1.7393 Cc1ccc(cc1O)CC(=O)NCCC#N 4ccbaac5fb235383051d0c191e90cbdf [0,2,0,0,0,0|1,0,1]=4 5715 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)Cl 25601d506a1c52068674c6f4900d4952 [0,2,0,0,0,0|1,0,1]=4 5716 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)F 47f31f5bbf9af265f7e6ebcbd5e03104 [0,2,0,0,0,0|1,0,1]=4 5717 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)O 30d0db6e0f5ce18b0f23186c1d8fdf81 [0,2,0,0,0,0|1,0,1]=4 5718 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Br 26f19f4361bb9e3c0b284ef922ec0a47 [0,2,0,0,0,0|1,0,1]=4 5719 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Cl dfce5b28fd643978850919e8208159f0 [0,2,0,0,0,0|1,0,1]=4 5720 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)F 0f010eb161c547c825c8c4677b1d3563 [0,2,0,0,0,0|1,0,1]=4 5721 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)O ccd086bad04094dc18d8cf0fcade5da7 [0,2,0,0,0,0|1,0,1]=4 5722 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Br 852846f6210c6388707bd4b691150819 [0,2,0,0,0,0|1,0,1]=4 5723 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Cl 0e902047d2c7d666912b7b01dab09d88 [0,2,0,0,0,0|1,0,1]=4 5724 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)F 155f8474b29336598b9018819f471883 [0,2,0,0,0,0|1,0,1]=4 5725 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)I 7efbd3b2e9ca3c27e966e44a06ad0b89 [0,2,0,0,0,0|1,0,1]=4 5726 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)O 0023b3d7968365742eb0e53edc8399b5 [0,2,0,0,0,0|1,0,1]=4 5727 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)I)O 3ad559b10ed926fcc8c87c16771da38a [0,2,0,0,0,0|1,0,1]=4 5728 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)O)Cl a90925db7923d2fecb4f225e3462e3e6 [0,2,0,0,0,0|1,0,1]=4 5729 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)O)F 751d711b3763b15c19ddab315402e6c2 [0,2,0,0,0,0|1,0,1]=4 5730 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)O)O 844133d79b46609911e6d203705a9e37 [0,2,0,0,0,0|1,0,1]=4 5731 B16R1.20522 C#CCCNC(C)(C)Cc1ccc(cc1)Br 34810b15e4674da165fbba9b7fa13911 [0,2,0,0,0,0|1,0,0]=3 5732 B16R1.20522 C#CCCNC(C)(C)Cc1ccc(cc1)F 786ca7e34b1145acb9bbca9d1482914d [0,2,0,0,0,0|1,0,0]=3 5733 B16R1.20522 C#CCCNC(C)(C)Cc1ccc(nc1)Cl 8dc0f2eef6d9a791398b8bac26174151 [0,2,0,0,0,0|2,0,0]=4 5734 B16R1.20522 C=CCCNC(C)(C)Cc1ccc(cc1)Br 74a54867585ea01ab863f7634002b619 [0,2,0,0,0,0|1,0,1]=4 5735 B16R1.20522 C=CCCNC(C)(C)Cc1ccc(cc1)F b24affddd5584e070904447585aeea2c [0,2,0,0,0,0|1,0,1]=4 5736 B16R1.20522 CC(C)(Cc1ccc(cc1)Br)NCCC#N 80d4d82efd0a3fa09e98523c91b21c04 [0,2,0,0,0,0|0,0,0]=2 5737 B16R1.20522 CC(C)(Cc1ccc(cc1)Br)NCCC=O c7798599d6cf169ba82d86a842953275 [0,2,0,0,0,0|1,0,1]=4 5738 B16R1.20522 CC(C)(Cc1ccc(cc1)Br)NCCCF a33968f0730463b605677e5a1f8943fc [0,2,0,0,0,0|1,0,1]=4 5739 B16R1.20522 CC(C)(Cc1ccc(cc1)Br)NCCCO 9630c2769b3f607f23636f0befe899fa [0,2,0,0,0,0|1,0,1]=4 5740 B16R1.20522 CC(C)(Cc1ccc(cc1)Br)NCCCS eaf33336f8e2af8471946a5f5f8547a0 [0,2,0,0,0,0|1,0,1]=4 5741 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCC#N 80b729ef72d8ece76ac0e473e6950d00 [0,2,0,0,0,0|0,0,0]=2 5742 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCC=O 36562179b2a9f0129b2c6f490464ad0d [0,2,0,0,0,0|1,0,1]=4 5743 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCF 98c9c18574d9990c675e838306c6c657 [0,2,0,0,0,0|1,0,1]=4 5744 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCO 44641b9cfa7f500786c5110d647e82c2 [0,2,0,0,0,0|1,0,1]=4 5745 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCS 0bf73d043d36e3dbe8ded370ce370d2f [0,2,0,0,0,0|1,0,1]=4 5746 B16R1.20522 CC(C)(Cc1ccc(nc1)Cl)NCCC#N 0628ad4847eccd2c07dc418bc164f95f [0,2,0,0,0,0|1,0,0]=3 5747 B16R1.20522 CCCCNC(C)(C)Cc1ccc(cc1)Br 2d2dc2888405c5b75cf9fb9e03db2442 [0,2,0,0,0,0|1,0,1]=4 5748 B16R1.20522 CCCCNC(C)(C)Cc1ccc(cc1)F ca39f1def703731d6e783095c81dcc11 [0,2,0,0,0,0|1,0,1]=4 5749 B16R1.20522 COCCNC(C)(C)Cc1ccc(cc1)Br 2f8556a1390a7a915ca6e392562888c6 [0,2,0,0,0,0|2,0,0]=4 5750 B16R1.20522 COCCNC(C)(C)Cc1ccc(cc1)F 84cc1ffeebfbe3382541c31ace12a4f1 [0,2,0,0,0,0|2,0,0]=4 5751 B16R1.20522 CSCCNC(C)(C)Cc1ccc(cc1)Br ad8cf0037d6ab7b4aab135b5d9b22292 [0,2,0,0,0,0|2,0,0]=4 5752 B16R1.20522 CSCCNC(C)(C)Cc1ccc(cc1)F dc142a41a071bbb438a421fff78c8f25 [0,2,0,0,0,0|2,0,0]=4 5753 B16R1.22955 C#CCCOC(C)Cc1ccc(cc1Cl)Cl 495474c5f6c367cdd799abe60d43a944 [0,2,0,0,0,0|2,0,0]=4 5754 B16R1.22955 CC(Cc1ccc(cc1Cl)Cl)OCCC#N 596fd81dc7dcb83b995e59cb257ae94c [0,2,0,0,0,0|1,0,0]=3 5755 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Br)Cl 4069fe00cbdfde54ece74dfbb4d72a81 [0,2,0,0,0,0|2,0,0]=4 5756 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Br)F 33b7256d63efb1a46f5e0087f30b9ac7 [0,2,0,0,0,0|2,0,0]=4 5757 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Cl)Cl 67083b01fd4fd6dca7d89b86030c2f65 [0,2,0,0,0,0|2,0,0]=4 5758 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1Cl)F 25cc046495d82a9494025c315381ae11 [0,2,0,0,0,0|2,0,0]=4 5759 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1F)Br 5019c444fb9c15889a565225b98837ed [0,2,0,0,0,0|2,0,0]=4 5760 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1F)Cl ca6b121ff4e31884e18556a2ee7b5354 [0,2,0,0,0,0|2,0,0]=4 5761 B16R1.22955 CN(CCCC#N)Cc1ccc(cc1F)F a7d736326e9dc8f741522fb219c700bd [0,2,0,0,0,0|2,0,0]=4 5762 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Br bd515fedc3e1bc35a353517cef5b0421 [0,2,0,0,0,0|1,0,1]=4 5763 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Cl b2a92b7a4ab5cc3c3f0d2f8dee142c1c [0,2,0,0,0,0|1,0,1]=4 5764 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)F cd712bdd9695ccb7140591dda9c9688e [0,2,0,0,0,0|1,0,1]=4 5765 B16R1.22955 Cc1cc(ccc1CN(C)CCCC#N)Br fb8e0bc3523a4eb5431a93505cbd4c45 [0,2,0,0,0,0|2,0,0]=4 5766 B16R1.22955 Cc1ccc(c(c1)C)CC(=O)NCCC#N 508a3402dc57085ccf83a2913ee5d61c [0,2,0,0,0,0|1,0,1]=4 5767 B16R1.22955 Cc1ccc(c(c1)C)CN(C)CCCC#N 7cf7df38ad039d6ab6b11a3360e50451 [0,2,0,0,0,0|2,0,0]=4 5768 B16R1.22955 Cc1ccc(c(c1)F)CC(=O)NCCC#N 1d98ae9e74bcc34187b5e874319e6317 [0,2,0,0,0,0|1,0,1]=4 5769 B16R1.22955 Cc1ccc(c(c1)F)CC(C)COCC#N ceb8a1e1f1fee44ec4cc2f98c26012fc [0,2,0,0,0,0|2,0,0]=4 5770 B16R1.22955 Cc1ccc(c(c1)I)CC(=O)NCCC#N 78a6773fd7eb0633f4875f45c094b257 [0,2,0,0,0,0|1,0,1]=4 5771 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Br 204cc80f41670fbe873ccb3738a2d396 [0,2,0,0,0,0|1,0,1]=4 5772 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Cl 98e0d3784b53809ceac3800b7c1def34 [0,2,0,0,0,0|1,0,1]=4 5773 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F 72beef78ac8929779ea9432ee99e1b5c [0,2,0,0,0,0|1,0,1]=4 5774 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)O f2b28cea84ffa5be467529432b90ed98 [0,2,0,0,0,0|1,0,1]=4 5775 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br 801b2420c489f32e4d5402f8078cb65b [0,2,0,0,0,0|1,0,1]=4 5776 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Cl 2f806f0c5e2d761afad82e72315f6801 [0,2,0,0,0,0|1,0,1]=4 5777 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)F 9e1d452cd071ebd001dd0d5d138a4351 [0,2,0,0,0,0|1,0,1]=4 5778 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br 5997639b1a82f962948540f2cd7126a1 [0,2,0,0,0,0|1,0,1]=4 5779 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Cl 880fb2726fc5a7d07ac0c359a78422fa [0,2,0,0,0,0|1,0,1]=4 5780 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)F c33b34297877a041ead7c0afd8e2ad1b [0,2,0,0,0,0|1,0,1]=4 5781 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)I eda8763d72c5b46a3cdbdc00b644e0e4 [0,2,0,0,0,0|1,0,1]=4 5782 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)O bad8a82b49b34d27bf3835eb76ed2a70 [0,2,0,0,0,0|1,0,1]=4 5783 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1I)Br 470c3f65915f25cc33f29dad0ecef98b [0,2,0,0,0,0|1,0,1]=4 5784 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1I)Cl ed1a8a0f9a15e34c7aca7d945be424ce [0,2,0,0,0,0|1,0,1]=4 5785 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1O)Br 80622248c9fbf080d2fce72e7e2d135e [0,2,0,0,0,0|1,0,1]=4 5786 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1O)F 43a80b46be85ddf902bed232de455900 [0,2,0,0,0,0|1,0,1]=4 5787 B16R1.88 CN(CCCC#N)Cc1cccc(c1Cl)Cl 7cc2d6ea4ee4a48271c69c6334881509 [0,2,0,0,0,0|2,0,0]=4 5788 B16R1.88 CN(CCCC#N)Cc1cccc(c1F)Cl 3de77cc8b13a01cacb524989f41eb2c3 [0,2,0,0,0,0|2,0,0]=4 5789 B16R1.88 CN(CCCC#N)Cc1cccc(c1F)F fa9f74cc2538cfc6dd1fea83a5458000 [0,2,0,0,0,0|2,0,0]=4 5790 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)Br ae5e672a131b3c9b9752cefff4476023 [0,2,0,0,0,0|1,0,1]=4 5791 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)F 481fc3cd56bb47e1c5136ec0bee4081a [0,2,0,0,0,0|1,0,1]=4 5792 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)I 0801fc02af0f0a53fd58813b15bc4feb [0,2,0,0,0,0|1,0,1]=4 5793 B16R1.88 Cc1cccc(c1Br)CC(=O)NCCC#N 04d81c942c36eeab72a4a1484b49d237 [0,2,0,0,0,0|1,0,1]=4 5794 B16R1.88 Cc1cccc(c1C)CC(=O)NCCC#N ab0b95204bb2fb82360cad986ea9e5c4 [0,2,0,0,0,0|1,0,1]=4 5795 B16R1.88 Cc1cccc(c1C)CN(C)CCCC#N 326b40d2a3745f319904819b17af7f01 [0,2,0,0,0,0|2,0,0]=4 5796 B16R1.88 Cc1cccc(c1Cl)CC(=O)NCCC#N ae342f82d074d22e6ec86d72adf13312 [0,2,0,0,0,0|1,0,1]=4 5797 B16R1.88 Cc1cccc(c1F)CC(=O)NCCC#N 48520d24dba940ea4c9873cfa06a8008 [0,2,0,0,0,0|1,0,1]=4 5798 B16R1.88 Cc1cccc(c1F)CN(C)CCCC#N e133641ca514b53c0fa80bdf6f729cc9 [0,2,0,0,0,0|2,0,0]=4 5799 B16R1.88 Cc1cccc(c1O)CC(=O)NCCC#N 6eadb94401b395615a8feac960747e10 [0,2,0,0,0,0|1,0,1]=4 5800 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)Cl f77dc26b4e7964189e14d60ee3c58caf [0,2,0,0,0,0|1,0,1]=4 5801 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Br)F 36de7dd61c1d7650637949c7bdc98941 [0,2,0,0,0,0|1,0,1]=4 5802 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Br 5307cb032817555398bc8917bbd37397 [0,2,0,0,0,0|1,0,1]=4 5803 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)Cl e8699c1d3d6e2a1ffc94c1254dad597d [0,2,0,0,0,0|1,0,1]=4 5804 B16R1.88 N#CCCNC(=O)Cc1cccc(c1Cl)F 9211b9b533ddc95b91e9b196a478f51f [0,2,0,0,0,0|1,0,1]=4 5805 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Br 96c2b39fd94bbfb23f41b41423372fe8 [0,2,0,0,0,0|1,0,1]=4 5806 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl 79cfe7038f3d65ac649a255b25482c4a [0,2,0,0,0,0|1,0,1]=4 5807 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)F dd382e65f47d5b53a074018c9b32516c [0,2,0,0,0,0|1,0,1]=4 5808 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)I 1c949ad9bd3bae3c29d7c8135bf52030 [0,2,0,0,0,0|1,0,1]=4 5809 B16R1.88 N#CCCNC(=O)Cc1cccc(c1I)F 024aa1242643856a283df6e58a74fbaf [0,2,0,0,0,0|1,0,1]=4 5810 B16R1.88 N#CCCNC(=O)Cc1cccc(c1O)Br 518280134e80a931964128577b6a808a [0,2,0,0,0,0|1,0,1]=4 5811 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)F 0a10f82965aea7e0a959dedf1ba7ab9a [0,2,0,0,0,0|1,0,1]=4 5812 B16R1.659 CC(CCC#N)N(C)Cc1cccc(c1)Br 1ace2c979ecc30a346af81629c28bc46 [0,2,0,0,0,0|2,0,0]=4 5813 B16R1.659 CC(CCC#N)N(C)Cc1cccc(c1)Cl 3615151a0d5645508db8041ec0bb8cd7 [0,2,0,0,0,0|2,0,0]=4 5814 B16R1.659 CC(CCC#N)N(C)Cc1cccc(c1)F 8327a3de7a85b3b3f269371239b1d8ea [0,2,0,0,0,0|2,0,0]=4 5815 B16R1.659 CC(CCC#N)N(C)Cc1cccc(c1)I bc9afe64c0c403fbce50d2277c2d908b [0,2,0,0,0,0|2,0,0]=4 5816 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCC#N 1cfa97e0946e6c8932204146e1f376f0 [0,2,0,0,0,0|0,0,0]=2 5817 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCCO 57c1f51ebbf785722d3f68f88ac331ed [0,2,0,0,0,0|1,0,1]=4 5818 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Br d8e6d894a01938186284970ca3f5b5d7 [0,2,0,0,0,0|1,0,1]=4 5819 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)Cl c1d497698dee9e6931b077c4da62d85e [0,2,0,0,0,0|1,0,1]=4 5820 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)F 61feb3280c6edbb2b508621d875b069e [0,2,0,0,0,0|1,0,1]=4 5821 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)I 3972364744e1dc51d74f2e0e473742ae [0,2,0,0,0,0|1,0,1]=4 5822 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)O d2982e9a72a8aba68cf7bb9c89aa9c2f [0,2,0,0,0,0|1,0,1]=4 5823 B16R1.659 CN(CCC#N)C(=O)Cc1cccc(c1)S a2d56991acf62ba4ebb5f84c7413a980 [0,2,0,0,0,0|1,0,1]=4 5824 B16R1.659 CN(Cc1cccc(c1)Br)C(=O)CCC#N 3e8ab4fdbe6f0bbe8b31193ab16148be [0,2,0,0,0,0|2,0,0]=4 5825 B16R1.659 CN(Cc1cccc(c1)Cl)C(=O)CCC#N ad106c25ccf31b74338352d48ad5c34d [0,2,0,0,0,0|2,0,0]=4 5826 B16R1.659 CN(Cc1cccc(c1)F)C(=O)CCC#N e43c324b975f0507eed19bea345e66e2 [0,2,0,0,0,0|2,0,0]=4 5827 B16R1.659 CN(Cc1cccc(c1)I)C(=O)CCC#N 7fdac28dd333f94840ca1aa43fd44d66 [0,2,0,0,0,0|2,0,0]=4 5828 B16R1.659 CN(Cc1cccc(c1)O)C(=O)CCC#N 86c8ed6c2c33efa4d8d7e9cbf750e407 [0,2,0,0,0,0|2,0,0]=4 5829 B16R1.659 Cc1cccc(c1)CC(=O)N(C)CCC#N e4746d6433d37f92ccb2e6075e8a3765 [0,2,0,0,0,0|1,0,1]=4 5830 B16R1.659 Cc1cccc(c1)CN(C)C(=O)CCC#N fd12456f48653a352420c8cf077225a9 [0,2,0,0,0,0|2,0,0]=4 5831 B16R1.659 Cc1cccc(c1)CN(C)C(C)CCC#N ac6d31eb36c532701e0af1af5e3c7517 [0,2,0,0,0,0|2,0,0]=4 5832 B16R1.956 C#CCC(=O)NC(C)Cc1cccc(c1)O 15b93515bc18c11d0d6b2e5f20fb79a3 [0,2,0,0,0,0|1,0,1]=4 5833 B16R1.956 C#CCC(=O)N[C@@H](C)Cc1cccc(c1)Cl 4278dcaddd5e3ef2fc6b5c59b8746a72 [0,2,0,0,0,0|1,0,1]=4 5834 B16R1.956 C#CCC(=O)N[C@@H](C)Cc1cccc(c1)O ec771555a7d022d8327e44ee9793a87a [0,2,0,0,0,0|1,0,1]=4 5835 B16R1.956 C#CCC(C)OC(C)Cc1cccc(c1)F e60b566f603b62e328d872927ad2d89a [0,2,0,0,0,0|2,0,0]=4 5836 B16R1.956 CC(CC#N)NC(=O)Cc1cccc(c1)Br b0d14a88dc419f2ce90a1b510e7011e1 [0,2,0,0,0,0|1,0,1]=4 5837 B16R1.956 CC(CC#N)NC(=O)Cc1cccc(c1)Cl 19373541d8168655b1e7abef31c5ca71 [0,2,0,0,0,0|1,0,1]=4 5838 B16R1.956 CC(CC#N)NC(=O)Cc1cccc(c1)F d5b86c16774fd51092ab4270687663e2 [0,2,0,0,0,0|1,0,1]=4 5839 B16R1.956 CC(CC#N)NC(=O)Cc1cccc(c1)I 0193db962559fe61b63234341827092d [0,2,0,0,0,0|1,0,1]=4 5840 B16R1.956 CC(CC#N)NC(=O)Cc1cccc(c1)O bdcd55a74ca13ab1f69848d3fdaf6cf9 [0,2,0,0,0,0|1,0,1]=4 5841 B16R1.956 CC(CC#N)NC(=O)Cc1cccc(c1)S 09552d5cd29284d59120ac6baaba42a2 [0,2,0,0,0,0|1,0,1]=4 5842 B16R1.956 CC(CC#N)NC(C)Cc1cccc(c1)F 2a2a71c9bdac56559a58562120abc882 [0,2,0,0,0,0|0,0,0]=2 5843 B16R1.956 CC(CC#N)N[C@@H](C)Cc1cccc(c1)Cl 2fa06d6c4eec233a8b56f67d74e2aec6 [0,2,0,0,0,0|0,0,0]=2 5844 B16R1.956 CC(CC#N)OC(C)Cc1cccc(c1)Cl 792b7f8e1beb205b5dea23fbe873e8cd [0,2,0,0,0,0|1,0,0]=3 5845 B16R1.956 CC(CC#N)OC(C)Cc1cccc(c1)F ec59419b7fded90c066029e87b7a3820 [0,2,0,0,0,0|1,0,0]=3 5846 B16R1.956 CC(CC#N)OC(C)Cc1cccc(n1)F fa85d9292f7a35368b80d3c5b31c5910 [0,2,0,0,0,0|2,0,0]=4 5847 B16R1.956 CC(CCO)NC(C)Cc1cccc(c1)F f6d6f02ad9552301c044f8a5ccabb5da [0,2,0,0,0,0|1,0,1]=4 5848 B16R1.956 CC(Cc1cccc(c1)F)N[C@@H](C)CCO 927fd05b2e3f16f455cc5dc939ddf2bc [0,2,0,0,0,0|1,0,1]=4 5849 B16R1.956 CC(Cc1cccc(c1)F)N[C@H](C)CCO 8e396e67eef71cfa6ec0245ec4e60619 [0,2,0,0,0,0|1,0,1]=4 5850 B16R1.956 CC(Cc1cccc(c1)F)O[C@@H](C)CC#N 0d135f6c0d3e398cecd54c299c500aea [0,2,0,0,0,0|1,0,0]=3 5851 B16R1.956 CC(Cc1cccc(c1)F)O[C@H](C)CC#N 8c602fa2a50be655655922f45477c77b [0,2,0,0,0,0|1,0,0]=3 5852 B16R1.956 CC(Cc1cccc(c1)O)NC(=O)CC#N c7d7a36dd4e5796a5b4cdfe9a7a38d37 [0,2,0,0,0,0|0,0,1]=3 5853 B16R1.956 CC(Cc1cccc(c1)O)NC(=S)NC#N 87c195eab169dbb2c4ec40903ffed9b2 [0,2,0,0,0,0|1,0,1]=4 5854 B16R1.956 CN(Cc1cccc(c1)Br)CC(O)CC#N dbe6d184e870b6a497696706f695f3a5 [0,2,0,0,0,0|2,0,0]=4 5855 B16R1.956 CN(Cc1cccc(c1)Br)C[C@@H](O)CC#N 700c7da1606e5afd34497eda247040d0 [0,2,0,0,0,0|2,0,0]=4 5856 B16R1.956 CN(Cc1cccc(c1)Br)C[C@H](O)CC#N 81446f0c338c616be9a21be4a9c7c5af [0,2,0,0,0,0|2,0,0]=4 5857 B16R1.956 CN(Cc1cccc(c1)Cl)CC(O)CC#N c40d0d4c84ea263ac68a6bb2d6dfb816 [0,2,0,0,0,0|2,0,0]=4 5858 B16R1.956 CN(Cc1cccc(c1)Cl)C[C@@H](O)CC#N 44fcd0191d374df6ff402fceb809f05c [0,2,0,0,0,0|2,0,0]=4 5859 B16R1.956 CN(Cc1cccc(c1)Cl)C[C@H](O)CC#N d2ce35d1617f1dc20e6a4d6c4c6c1bda [0,2,0,0,0,0|2,0,0]=4 5860 B16R1.956 CN(Cc1cccc(c1)F)CC(O)CC#N 9e1dbffd758bc849caac97af524efd0e [0,2,0,0,0,0|2,0,0]=4 5861 B16R1.956 CN(Cc1cccc(c1)F)C[C@@H](O)CC#N af33b8bfc76d6cc674f19ed896d89100 [0,2,0,0,0,0|2,0,0]=4 5862 B16R1.956 CN(Cc1cccc(c1)F)C[C@H](O)CC#N 35c2a81d92581865266dfcdf7d09a465 [0,2,0,0,0,0|2,0,0]=4 5863 B16R1.956 CN(Cc1cccc(c1)I)CC(O)CC#N 581394b8d1b3c01628a321e4cefc50f4 [0,2,0,0,0,0|2,0,0]=4 5864 B16R1.956 CN(Cc1cccc(c1)I)C[C@@H](O)CC#N 524f46032f42bea90880e3aba0c3f7b4 [0,2,0,0,0,0|2,0,0]=4 5865 B16R1.956 CN(Cc1cccc(c1)I)C[C@H](O)CC#N 550c515fa1d63456e24c7f15045e7cad [0,2,0,0,0,0|2,0,0]=4 5866 B16R1.956 COCC(C)NC(C)Cc1cccc(c1)F 823d7b6a8e92092e7b4bed1d07b26f7f [0,2,0,0,0,0|2,0,0]=4 5867 B16R1.956 COCC(C)N[C@@H](C)Cc1cccc(c1)Cl e2abb89437274c5b8b3724eba2c40161 [0,2,0,0,0,0|2,0,0]=4 5868 B16R1.956 COC[C@@H](C)NC(C)Cc1cccc(c1)F ff955886ae96252ffda02fc5594abc65 [0,2,0,0,0,0|2,0,0]=4 5869 B16R1.956 COC[C@H](C)NC(C)Cc1cccc(c1)F 84181ded023554b634a7f36f2f13556d [0,2,0,0,0,0|2,0,0]=4 5870 B16R1.956 C[C@@H](Cc1cccc(c1)Cl)NC(=O)CC#N 3d5d1ee7323e0ec67943acf63231df6a [0,2,0,0,0,0|0,0,1]=3 5871 B16R1.956 C[C@@H](Cc1cccc(c1)O)NC(=O)CC#N 75f7ef7e0ac20748982cb4c47eefb144 [0,2,0,0,0,0|0,0,1]=3 5872 B16R1.956 C[C@@H](Cc1cccc(c1)O)NC(=S)NC#N 6cec9829406776a0d55ac87923f0a2b6 [0,2,0,0,0,0|1,0,1]=4 5873 B16R1.956 Cc1cccc(c1)CC(=O)NC(C)CC#N be5f613ac00b25740e97307264d3d93f [0,2,0,0,0,0|1,0,1]=4 5874 B16R1.956 Cc1cccc(c1)CC(C)OC(C)CC#N decaadfd6cd005e1027576dc74970911 [0,2,0,0,0,0|1,0,0]=3 5875 B16R1.956 Cc1cccc(c1)CN(C)CC(O)CC#N ca8ed3ae25eaf9ce888adc1298c41962 [0,2,0,0,0,0|2,0,0]=4 5876 B16R1.956 Cc1cccc(c1)CN(C)C[C@@H](O)CC#N 593748527788309daae411b575be0c87 [0,2,0,0,0,0|2,0,0]=4 5877 B16R1.956 Cc1cccc(c1)CN(C)C[C@H](O)CC#N 5b5cadcd79312b0a169b148132d6d854 [0,2,0,0,0,0|2,0,0]=4 5878 B16R1.956 Cc1ccnc(c1)CC(C)OC(C)CC#N 2cbbff72435163cd6ec81a663e8f3fd9 [0,2,0,0,0,0|2,0,0]=4 5879 B16R1.1148 C=C(C#N)CN[C@@H](C)Cc1cccc(c1)Cl 2ca2b41229d9cc5e31fb28ebac34ada8 [0,2,0,0,0,0|0,0,1]=3 5880 B16R1.1148 C=C(C#N)COC(C)Cc1cccc(c1)C d53335263e645a2679d108d8bf865524 [0,2,0,0,0,0|1,0,1]=4 5881 B16R1.1148 C=C(C#N)COC(C)Cc1cccc(c1)Cl 261a278cc553952fcd26beeb6e1a49bb [0,2,0,0,0,0|1,0,1]=4 5882 B16R1.1148 C=C(C#N)COC(C)Cc1cccc(c1)F 5cf7762411fa775c63010af9f428a1dd [0,2,0,0,0,0|1,0,1]=4 5883 B16R1.1148 C=CC(O)CNC(C)Cc1cccc(c1)F bedb2fc5a04d4142e8ab148c04499580 [0,2,0,0,0,0|1,0,1]=4 5884 B16R1.1148 CC(C#N)CNC(=O)Cc1cccc(c1)Br 24905645fb12229ebd8ac0f9ff554bce [0,2,0,0,0,0|1,0,1]=4 5885 B16R1.1148 CC(C#N)CNC(=O)Cc1cccc(c1)Cl da4f14086cb3fcdc00a897256989fb35 [0,2,0,0,0,0|1,0,1]=4 5886 B16R1.1148 CC(C#N)CNC(=O)Cc1cccc(c1)F 642d91f9da71f906873f256823806dcc [0,2,0,0,0,0|1,0,1]=4 5887 B16R1.1148 CC(C#N)CNC(=O)Cc1cccc(c1)I 896e8642d2cabbbd008c6749d2f2efca [0,2,0,0,0,0|1,0,1]=4 5888 B16R1.1148 CC(C#N)CNC(=O)Cc1cccc(c1)O cd1edb85f64b314487a091930990232e [0,2,0,0,0,0|1,0,1]=4 5889 B16R1.1148 CC(C#N)CNC(=O)Cc1cccc(c1)S e3fd2355b7434cb35eb424fab78b71a7 [0,2,0,0,0,0|1,0,1]=4 5890 B16R1.1148 CC(C#N)CNC(C)Cc1cccc(c1)F fab973c5a66cd0a1859f6729d363d877 [0,2,0,0,0,0|0,0,0]=2 5891 B16R1.1148 CC(C#N)COC(C)Cc1cccc(c1)F d011bdb7de4ac388d05ef073f608cadf [0,2,0,0,0,0|1,0,0]=3 5892 B16R1.1148 CC(C#N)COC(C)Cc1cccc(n1)F 107a016b309baeeadb89b2f74d641579 [0,2,0,0,0,0|2,0,0]=4 5893 B16R1.1148 CC(CO)CNC(C)Cc1cccc(c1)F b43c59d860268d746a173fdc68c6654a [0,2,0,0,0,0|1,0,1]=4 5894 B16R1.1148 CC(CO)CN[C@@H](C)Cc1cccc(c1)Cl f19e270eba41747998facf74e93f8053 [0,2,0,0,0,0|1,0,1]=4 5895 B16R1.1148 CC(Cc1cccc(c1)F)NCC(Br)CBr 480e7bb413b78011bb711b3e22ce8897 [0,2,0,0,0,0|1,0,1]=4 5896 B16R1.1148 CC(Cc1cccc(c1)F)NCC(F)CO defa48de87169e32dd98cdb02382453a [0,2,0,0,0,0|1,0,1]=4 5897 B16R1.1148 CC(Cc1cccc(c1)F)NCC(O)CO ccd23de18a4a611bd3063d8c1eace121 [0,2,0,0,0,0|1,0,1]=4 5898 B16R1.1148 CC(Cc1cccc(c1)F)NC[C@@H](F)CO 3c017cd4cf5b8cbc2c7075654e6192cc [0,2,0,0,0,0|1,0,1]=4 5899 B16R1.1148 CC(Cc1cccc(c1)F)NC[C@@H](O)CO 3c2681cea42662611046120e14094ac3 [0,2,0,0,0,0|1,0,1]=4 5900 B16R1.1148 CC(Cc1cccc(c1)F)NC[C@H](C)CO c42bfd34d99bfa4793a9b5746c253dd8 [0,2,0,0,0,0|1,0,1]=4 5901 B16R1.1148 CC(Cc1cccc(c1)F)NC[C@H](F)CO 3495f03a6e9b9344908db6b85a9521fa [0,2,0,0,0,0|1,0,1]=4 5902 B16R1.1148 CC(Cc1cccc(c1)F)NC[C@H](O)CO a7865744e92b2a86e20be69f9ac577c0 [0,2,0,0,0,0|1,0,1]=4 5903 B16R1.1148 CCC(C)CNC(C)Cc1cccc(c1)F ff5a1aa88653a3510199ba1bf21d6d35 [0,2,0,0,0,0|1,0,1]=4 5904 B16R1.1148 CCC(C)CN[C@@H](C)Cc1cccc(c1)Cl 1171cb392a456d1cf5d830b32de8dac4 [0,2,0,0,0,0|1,0,1]=4 5905 B16R1.1148 CCC(O)CNC(C)Cc1cccc(c1)F 12c8186d18ed854216ac3a82ce9c127c [0,2,0,0,0,0|1,0,1]=4 5906 B16R1.1148 CC[C@@H](O)CNC(C)Cc1cccc(c1)F 8ccb4eab32f45198e0a08cf00400a0ed [0,2,0,0,0,0|1,0,1]=4 5907 B16R1.1148 CC[C@H](C)CNC(C)Cc1cccc(c1)F 89f1e3e7fa165cf99fa48a832d124496 [0,2,0,0,0,0|1,0,1]=4 5908 B16R1.1148 CC[C@H](C)CN[C@@H](C)Cc1cccc(c1)Cl 97b3a5aec4960d2f6d94d227faf73976 [0,2,0,0,0,0|1,0,1]=4 5909 B16R1.1148 COC(C)CN[C@@H](C)Cc1cccc(c1)Cl 5f22b99e6638dd40942b2770510ba0a0 [0,2,0,0,0,0|2,0,0]=4 5910 B16R1.1148 CO[C@@H](C)CNC(C)Cc1cccc(c1)F 407bf44c5eb7c17383bc46063949df5e [0,2,0,0,0,0|2,0,0]=4 5911 B16R1.1148 CO[C@@H](C)CN[C@@H](C)Cc1cccc(c1)Cl 789e8b8104bf422dc7ad3ac05556ae1c [0,2,0,0,0,0|2,0,0]=4 5912 B16R1.1148 CO[C@H](C)CNC(C)Cc1cccc(c1)F 4b009ab8dc04f157de7255a94ac48e7c [0,2,0,0,0,0|2,0,0]=4 5913 B16R1.1148 CO[C@H](C)CN[C@@H](C)Cc1cccc(c1)Cl 6400477cc64277d46007bdcca33e4411 [0,2,0,0,0,0|2,0,0]=4 5914 B16R1.1148 C[C@@H](CO)CN[C@@H](C)Cc1cccc(c1)Cl 9a4c69c0d32becb5700166ec3c161f70 [0,2,0,0,0,0|1,0,1]=4 5915 B16R1.1148 C[C@@H](Cc1cccc(c1)Cl)NCC(O)CF 080adb6bf79e65037d1e21c8d2254a70 [0,2,0,0,0,0|1,0,1]=4 5916 B16R1.1148 C[C@@H](Cc1cccc(c1)Cl)NCC(O)CO ae11efdc897b4984b01d7bd42b0bcfe9 [0,2,0,0,0,0|1,0,1]=4 5917 B16R1.1148 C[C@@H](Cc1cccc(c1)Cl)NC[C@@H](O)CO 07b69da34e88b982663293822be84832 [0,2,0,0,0,0|1,0,1]=4 5918 B16R1.1148 C[C@@H](Cc1cccc(c1)Cl)NC[C@H](O)CO 521cfc756ef6ff17a00e93d4aaeef3eb [0,2,0,0,0,0|1,0,1]=4 5919 B16R1.1148 C[C@H](CO)CN[C@@H](C)Cc1cccc(c1)Cl 7865938d3a6e3df137afcad330cb53d0 [0,2,0,0,0,0|1,0,1]=4 5920 B16R1.1148 Cc1cccc(c1)CC(=O)NCC(C)C#N 4b019446262287081eb5eb7dcd798914 [0,2,0,0,0,0|1,0,1]=4 5921 B16R1.1148 Cc1cccc(n1)CC(C)OCC(C)C#N 833af64922786cab0b815de6242f83f7 [0,2,0,0,0,0|2,0,0]=4 5922 B16R1.1148 Cc1ccnc(c1)CC(C)OCC(C)C#N 4628d8082111605e076d156e13c71829 [0,2,0,0,0,0|2,0,0]=4 5923 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)Br 29007f3bb2b73ba2402d11f61ded85df [0,2,0,0,0,0|1,0,0]=3 5924 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)C eb9c1143476d0c1638a8e10eec1c50bd [0,2,0,0,0,0|1,0,0]=3 5925 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)Cl d2a7a06a1a3ecbd6bef28deea15e1b61 [0,2,0,0,0,0|1,0,0]=3 5926 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)F c892208ab8ee49e08f0b90256eb9d568 [0,2,0,0,0,0|1,0,0]=3 5927 B16R1.1231 C#CCCN[C@@H](CO)Cc1cccc(c1)F 7dc6a175d7d2fe71e26b518e912d73f1 [0,2,0,0,0,0|1,0,0]=3 5928 B16R1.1231 C#CCCN[C@H](CO)Cc1cccc(c1)Br 6fced3be425c6d232d61d8698ae5e933 [0,2,0,0,0,0|1,0,0]=3 5929 B16R1.1231 C#CCCN[C@H](CO)Cc1cccc(c1)Cl a267cf2ec3fb05b1b6ec5400dcfa8bc1 [0,2,0,0,0,0|1,0,0]=3 5930 B16R1.1231 C#CCCN[C@H](CO)Cc1cccc(c1)F 73631d9f3b9d3dd666616a5a4fbfb361 [0,2,0,0,0,0|1,0,0]=3 5931 B16R1.1231 C#CCCOC(CC)Cc1cccc(c1)Cl b7bd3a102ffdb3be53fc0f8582bb8ae2 [0,2,0,0,0,0|2,0,0]=4 5932 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)Br 33003fc16bd17277a4a7c0a02a565323 [0,2,0,0,0,0|1,0,1]=4 5933 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)C 5850811b25bf34f9d3826cf0f1199fa0 [0,2,0,0,0,0|1,0,1]=4 5934 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)Cl 9355a47c380b7f763b48e79a29de94ec [0,2,0,0,0,0|1,0,1]=4 5935 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)F 82041a71dd4dd4c49994783db6a55bb3 [0,2,0,0,0,0|1,0,1]=4 5936 B16R1.1231 C=CCCN[C@@H](CO)Cc1cccc(c1)F 477fdb9ad7936f03ff4b7b5b601b7dcf [0,2,0,0,0,0|1,0,1]=4 5937 B16R1.1231 C=CCCN[C@H](CO)Cc1cccc(c1)Br e2c5a59faf554b4b2f62a6ae7a59a8af [0,2,0,0,0,0|1,0,1]=4 5938 B16R1.1231 C=CCCN[C@H](CO)Cc1cccc(c1)Cl 5b2f573eeb230f516db376b949e231bb [0,2,0,0,0,0|1,0,1]=4 5939 B16R1.1231 C=CCCN[C@H](CO)Cc1cccc(c1)F ed977ae707d99dc40fe34cab6b7d8d1c [0,2,0,0,0,0|1,0,1]=4 5940 B16R1.1231 CCC(Cc1cccc(c1)Cl)OCCC#N b26eaa86c52ea6b261af0b79f1cfe334 [0,2,0,0,0,0|1,0,0]=3 5941 B16R1.1231 CCC(Cc1cccc(c1)Cl)OCSC#N 4bf5b37d023b3be4e93df4995ba0b247 [0,2,0,0,0,0|2,0,0]=4 5942 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 433e06b8a0ac3ceff61840d1fd3f07d7 [0,2,0,0,0,0|1,0,1]=4 5943 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 63cd2fd64824d564da1711596cc2c441 [0,2,0,0,0,0|1,0,1]=4 5944 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Cl 7295d970a361a460806a233fe9d5ed34 [0,2,0,0,0,0|1,0,1]=4 5945 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 3e0b9c5018db4587818eb88fdbc46341 [0,2,0,0,0,0|1,0,1]=4 5946 B16R1.1231 CCCCN[C@@H](CO)Cc1cccc(c1)F 7c433f38d72def71241869b114921335 [0,2,0,0,0,0|1,0,1]=4 5947 B16R1.1231 CCCCN[C@H](CO)Cc1cccc(c1)Br a306a5736905e52e60df3e56b85bc020 [0,2,0,0,0,0|1,0,1]=4 5948 B16R1.1231 CCCCN[C@H](CO)Cc1cccc(c1)Cl 418d62f957e17430e3da5a0428a80e70 [0,2,0,0,0,0|1,0,1]=4 5949 B16R1.1231 CCCCN[C@H](CO)Cc1cccc(c1)F a9fd96e344bf16b3265eabbb86816295 [0,2,0,0,0,0|1,0,1]=4 5950 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)Br 5078975c44c90e66040c13ec920532bf [0,2,0,0,0,0|2,0,0]=4 5951 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)C 60dc106a168c4abe9bff8f0f489ecf51 [0,2,0,0,0,0|2,0,0]=4 5952 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)Cl b9fc6735567fb135f7b61498932c66af [0,2,0,0,0,0|2,0,0]=4 5953 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)F 5f209083ba5b4dbb8dbb919529b47bc5 [0,2,0,0,0,0|2,0,0]=4 5954 B16R1.1231 CCN(CCCC#N)Cc1cccc(c1)I 98d31bad90c38f282799e50e75b2db73 [0,2,0,0,0,0|2,0,0]=4 5955 B16R1.1231 COCCNC(CO)Cc1cccc(c1)Br 68cd9c8346b716464c12e1630fdc6b4f [0,2,0,0,0,0|2,0,0]=4 5956 B16R1.1231 COCCNC(CO)Cc1cccc(c1)C f85b1c8fa3eb50dc852b2f86a9038027 [0,2,0,0,0,0|2,0,0]=4 5957 B16R1.1231 COCCNC(CO)Cc1cccc(c1)Cl 2a44118dd5e0da3c8f7b584246ed33b5 [0,2,0,0,0,0|2,0,0]=4 5958 B16R1.1231 COCCNC(CO)Cc1cccc(c1)F 9637eef8a01c1bd0afbd3d1aa350e422 [0,2,0,0,0,0|2,0,0]=4 5959 B16R1.1231 COCCN[C@@H](CO)Cc1cccc(c1)F 5cfb3a45c8e700c030e22246abafaee4 [0,2,0,0,0,0|2,0,0]=4 5960 B16R1.1231 COCCN[C@H](CO)Cc1cccc(c1)Br c0cb6797eec7c0cb69038825c6b68290 [0,2,0,0,0,0|2,0,0]=4 5961 B16R1.1231 COCCN[C@H](CO)Cc1cccc(c1)Cl 01af3e051777077c30670bc80558d534 [0,2,0,0,0,0|2,0,0]=4 5962 B16R1.1231 COCCN[C@H](CO)Cc1cccc(c1)F cc3d49b8b74bb17bdb98c4978616ce0c [0,2,0,0,0,0|2,0,0]=4 5963 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)Br 4d57ec0fc44c32c12b502597b550875d [0,2,0,0,0,0|2,0,0]=4 5964 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)C 167756085bbea4588bbce26bb62eef0d [0,2,0,0,0,0|2,0,0]=4 5965 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)Cl b6693679e59d5f8f012ad9879fbff26b [0,2,0,0,0,0|2,0,0]=4 5966 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)F e7de2e5f709f290b7ce5624eef0e1ff0 [0,2,0,0,0,0|2,0,0]=4 5967 B16R1.1231 CSCCN[C@@H](CO)Cc1cccc(c1)F 6abf871d32dae5572398e9d5612a446d [0,2,0,0,0,0|2,0,0]=4 5968 B16R1.1231 CSCCN[C@H](CO)Cc1cccc(c1)Br 5f1073d88b86fa082bcf7071761cb33a [0,2,0,0,0,0|2,0,0]=4 5969 B16R1.1231 CSCCN[C@H](CO)Cc1cccc(c1)Cl 7ed127dfc9b8d400053b40170900b898 [0,2,0,0,0,0|2,0,0]=4 5970 B16R1.1231 CSCCN[C@H](CO)Cc1cccc(c1)F 5ec28fbdbfb9f37913b0a2f11afb1a3e [0,2,0,0,0,0|2,0,0]=4 5971 B16R1.1231 Cc1cccc(c1)CC(CO)NCCC#N 0fcbe53828527db4edb0a23d71ab30c3 [0,2,0,0,0,0|0,0,0]=2 5972 B16R1.1231 Cc1cccc(c1)CC(CO)NCCC=O e45d3f027253e85eb0cdaff305221612 [0,2,0,0,0,0|1,0,1]=4 5973 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCF fa6ba8c7bd04acc19c14bb5e0405c534 [0,2,0,0,0,0|1,0,1]=4 5974 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCO c94b09ec44fd7502cd9691dc2f5eedea [0,2,0,0,0,0|1,0,1]=4 5975 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCS ec5f7f3e63e480582c07d47bf417601c [0,2,0,0,0,0|1,0,1]=4 5976 B16R1.1231 N#CCCNC(CO)Cc1cccc(c1)Br 07adb7a7ffa6be18ba842df435a478e9 [0,2,0,0,0,0|0,0,0]=2 5977 B16R1.1231 N#CCCNC(CO)Cc1cccc(c1)Cl 8182f1e446bdecba89991a1f322a1047 [0,2,0,0,0,0|0,0,0]=2 5978 B16R1.1231 N#CCCNC(CO)Cc1cccc(c1)F 0ab97a0a22f233c375ad7d2908c70726 [0,2,0,0,0,0|0,0,0]=2 5979 B16R1.1231 N#CCCN[C@@H](CO)Cc1cccc(c1)F 9a1adf1a3960f13213bc753b35932e76 [0,2,0,0,0,0|0,0,0]=2 5980 B16R1.1231 N#CCCN[C@H](CO)Cc1cccc(c1)Br 4612101cc05cf0b2c907b80755c81e88 [0,2,0,0,0,0|0,0,0]=2 5981 B16R1.1231 N#CCCN[C@H](CO)Cc1cccc(c1)Cl 9d64f9dd76434f9123a7f95c14a926a6 [0,2,0,0,0,0|0,0,0]=2 5982 B16R1.1231 N#CCCN[C@H](CO)Cc1cccc(c1)F 9da328e0ca979979304be271708ca753 [0,2,0,0,0,0|0,0,0]=2 5983 B16R1.1231 O=CCCNC(CO)Cc1cccc(c1)Br a09c24cf365fa8456581c869bef61aa1 [0,2,0,0,0,0|1,0,1]=4 5984 B16R1.1231 O=CCCNC(CO)Cc1cccc(c1)Cl 18941081389d102ed26619288fa98357 [0,2,0,0,0,0|1,0,1]=4 5985 B16R1.1231 O=CCCNC(CO)Cc1cccc(c1)F 07fa3fa2f94008e482158b04f85f4720 [0,2,0,0,0,0|1,0,1]=4 5986 B16R1.1231 O=CCCN[C@@H](CO)Cc1cccc(c1)F 34e7fa364929242211eb3b807f931aee [0,2,0,0,0,0|1,0,1]=4 5987 B16R1.1231 O=CCCN[C@H](CO)Cc1cccc(c1)Br e0349967ed62b447299ecb8977dd7dd0 [0,2,0,0,0,0|1,0,1]=4 5988 B16R1.1231 O=CCCN[C@H](CO)Cc1cccc(c1)Cl 086f6548ef923311fac4b81645c6ecd3 [0,2,0,0,0,0|1,0,1]=4 5989 B16R1.1231 O=CCCN[C@H](CO)Cc1cccc(c1)F 135c9f30e2b3a26a7599359e12b0b3bf [0,2,0,0,0,0|1,0,1]=4 5990 B16R1.1231 OCC(Cc1cccc(c1)Br)NCCCF f4dfd9e5a2b70f61c08c57b51db4495f [0,2,0,0,0,0|1,0,1]=4 5991 B16R1.1231 OCC(Cc1cccc(c1)Br)NCCCS 16b93ae638ff9bccc15374f2d226a52f [0,2,0,0,0,0|1,0,1]=4 5992 B16R1.1231 OCC(Cc1cccc(c1)Cl)NCCCF fdfeea40b5fda280bc418170d55e878a [0,2,0,0,0,0|1,0,1]=4 5993 B16R1.1231 OCC(Cc1cccc(c1)Cl)NCCCS 81d2ad9f3f382a3cf430501e5984571b [0,2,0,0,0,0|1,0,1]=4 5994 B16R1.1231 OCC(Cc1cccc(c1)F)NCCCF eebe74eaa4b8dfb3ebee0fe424f5f139 [0,2,0,0,0,0|1,0,1]=4 5995 B16R1.1231 OCC(Cc1cccc(c1)F)NCCCS 2b271c9b4b441d8244625a1b67424a09 [0,2,0,0,0,0|1,0,1]=4 5996 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)Br d2bdfe29e34269b1835efa1691648164 [0,2,0,0,0,0|1,0,1]=4 5997 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)Cl bd8035624f183f636f0df41d4b1212d8 [0,2,0,0,0,0|1,0,1]=4 5998 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)F 88377f1ef10abcc602ce1950708f902d [0,2,0,0,0,0|1,0,1]=4 5999 B16R1.1231 OCCCN[C@@H](CO)Cc1cccc(c1)F ea6c5f66cb5850355a118b44cd015250 [0,2,0,0,0,0|1,0,1]=4 6000 B16R1.1231 OCCCN[C@H](CO)Cc1cccc(c1)Br 5e4600eab7a0e8a3bb6fde4743f0a021 [0,2,0,0,0,0|1,0,1]=4 6001 B16R1.1231 OCCCN[C@H](CO)Cc1cccc(c1)Cl 37da6d20a083d90e99775c969e3bca7f [0,2,0,0,0,0|1,0,1]=4 6002 B16R1.1231 OCCCN[C@H](CO)Cc1cccc(c1)F 9f0b6624c25db3b0edc3383df1274ac9 [0,2,0,0,0,0|1,0,1]=4 6003 B16R1.1231 OC[C@@H](Cc1cccc(c1)F)NCCCF cd65eed8e4042897cd4125cfad267ef8 [0,2,0,0,0,0|1,0,1]=4 6004 B16R1.1231 OC[C@@H](Cc1cccc(c1)F)NCCCS cf5bdba1ef6ce588d48079ad7d3424fe [0,2,0,0,0,0|1,0,1]=4 6005 B16R1.1231 OC[C@H](Cc1cccc(c1)Br)NCCCF 9ae25d94fcf1b1afc207b4daf91f8dff [0,2,0,0,0,0|1,0,1]=4 6006 B16R1.1231 OC[C@H](Cc1cccc(c1)Br)NCCCS 2bb774c004838855e82991604ebf39d6 [0,2,0,0,0,0|1,0,1]=4 6007 B16R1.1231 OC[C@H](Cc1cccc(c1)Cl)NCCCF 2557342be54eb7ee136a18d3788e77f9 [0,2,0,0,0,0|1,0,1]=4 6008 B16R1.1231 OC[C@H](Cc1cccc(c1)Cl)NCCCS 0b3523872de49e02575fc0fcfa6b3b20 [0,2,0,0,0,0|1,0,1]=4 6009 B16R1.1231 OC[C@H](Cc1cccc(c1)F)NCCCF a0957e192752135ae4fca1d8899f0389 [0,2,0,0,0,0|1,0,1]=4 6010 B16R1.1231 OC[C@H](Cc1cccc(c1)F)NCCCS 31dd9752e3f1613167dc361ae47cc8fe [0,2,0,0,0,0|1,0,1]=4 6011 B16R1.7379 C#CCCOC(C)Cc1cc(ccc1C)C 2f565fb611d51cea2462b5d372cef885 [0,2,0,0,0,0|2,0,0]=4 6012 B16R1.7379 C#CCCOC(C)Cc1cc(ccc1F)Br 606ecfa5e9a761efa65cd250b31e9173 [0,2,0,0,0,0|2,0,0]=4 6013 B16R1.7379 CC(Cc1cc(ccc1F)Br)OCCC#N 6bc9a1b4860f61b2bfab96e39e75d5b7 [0,2,0,0,0,0|1,0,0]=3 6014 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Br)Cl 397bbfe600b9110ba0a4a2377772cc96 [0,2,0,0,0,0|2,0,0]=4 6015 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Br)F e77e2af0c2af02537b9cc5217bdb365b [0,2,0,0,0,0|2,0,0]=4 6016 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Cl)Br 5ad1b0ac25d9e77c4f42537ab85b7da0 [0,2,0,0,0,0|2,0,0]=4 6017 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1Cl)Cl ba922850e533a79837bc6efc0b05294f [0,2,0,0,0,0|2,0,0]=4 6018 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1F)Br 15d0fa1edc5e08f11cba2c1bcbe3e85b [0,2,0,0,0,0|2,0,0]=4 6019 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1F)Cl 8938b8d6763856836931bcb80950e387 [0,2,0,0,0,0|2,0,0]=4 6020 B16R1.7379 CN(CCCC#N)Cc1cc(ccc1F)F 6d5951747505d1376e27ed6463acc029 [0,2,0,0,0,0|2,0,0]=4 6021 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)Br 6e71c89e3c3587681302279b95a1d5ad [0,2,0,0,0,0|1,0,1]=4 6022 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)C ba1cc7d0f75221b1577d5a7a3cba72c2 [0,2,0,0,0,0|1,0,1]=4 6023 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)Cl 63c0e0469b8e83480b6e758f78a74808 [0,2,0,0,0,0|1,0,1]=4 6024 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)F 8ed23a3af4b389330d923c07012440d0 [0,2,0,0,0,0|1,0,1]=4 6025 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)I e3ed7d3931f62c53195d7a48e1a357ba [0,2,0,0,0,0|1,0,1]=4 6026 B16R1.7379 Cc1ccc(c(c1)CC(C)OCCC#N)C d5df65b48880f1238c64f704f9c3e7cb [0,2,0,0,0,0|1,0,0]=3 6027 B16R1.7379 Cc1ccc(c(c1)CN(C)CCCC#N)F c131d5ad94afbb22f586c014d8d4b4f0 [0,2,0,0,0,0|2,0,0]=4 6028 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Br b4dbabe5a45b9df2e619904baadd23cb [0,2,0,0,0,0|1,0,1]=4 6029 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Cl d97b3bb9292812945a617f4d71a0a40f [0,2,0,0,0,0|1,0,1]=4 6030 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)F 7f5a38eea37795e567409dc0aa28003c [0,2,0,0,0,0|1,0,1]=4 6031 B16R1.7379 Cc1ccc(cc1CN(C)CCCC#N)F 3a1c2330f3f662a882c170160055d89d [0,2,0,0,0,0|2,0,0]=4 6032 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Br 56f55572644c07cadaba5dc5eda563d5 [0,2,0,0,0,0|1,0,1]=4 6033 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Cl 5f2dfd6a88872c47455f00e16d16b3b8 [0,2,0,0,0,0|1,0,1]=4 6034 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)F c06da7697df80e433b1827987711ef74 [0,2,0,0,0,0|1,0,1]=4 6035 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)I 2f946cd20fb9679086150b47484d0c94 [0,2,0,0,0,0|1,0,1]=4 6036 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Br fc5f6f336d55f5e7ffdc4cf0d9e84e15 [0,2,0,0,0,0|1,0,1]=4 6037 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Cl 0ed86c474f00f4b80939878db42320c5 [0,2,0,0,0,0|1,0,1]=4 6038 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)F 3857276a95ae454d41569095d84c4b98 [0,2,0,0,0,0|1,0,1]=4 6039 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)O f5f870c475061a924c22e1bdd0703bce [0,2,0,0,0,0|1,0,1]=4 6040 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Br 8de90d0d7cb4ca1ee9df82770fa37317 [0,2,0,0,0,0|1,0,1]=4 6041 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Cl eb815db5e6c385718d7322f05f06bd03 [0,2,0,0,0,0|1,0,1]=4 6042 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)F a2d43f658cfa78d37d940f1eb9d623a0 [0,2,0,0,0,0|1,0,1]=4 6043 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)O bb6e3b2e6b810729ce1bb6e6d52169a3 [0,2,0,0,0,0|1,0,1]=4 6044 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1I)Br 6d8a8e8e24a27eadc552cfd43e15292c [0,2,0,0,0,0|1,0,1]=4 6045 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1O)Br d68dceae30163b258c1df35974f28100 [0,2,0,0,0,0|1,0,1]=4 6046 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1O)Cl 089756c085dfa1cb57bf8b32198f9c93 [0,2,0,0,0,0|1,0,1]=4 6047 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1O)F fa8e5f47858868d0df4821af53685eb8 [0,2,0,0,0,0|1,0,1]=4 6048 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1O)O 6bdef0de766584f7e31177f5a8b2c223 [0,2,0,0,0,0|1,0,1]=4 6049 B16R1.7381 C#CCCOC(C)Cc1cc(cc(c1)C)C 77eaaed08b18911b0c3a181063b029bb [0,2,0,0,0,0|2,0,0]=4 6050 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)Br)F 78d61606fff67b8d5606682d37d7d7a9 [0,2,0,0,0,0|2,0,0]=4 6051 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)Cl)Cl 5dbefa01617772e2abb3b661b3ed9071 [0,2,0,0,0,0|2,0,0]=4 6052 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)Cl)F 61d013eec3da206ffec86c07e5cd2db2 [0,2,0,0,0,0|2,0,0]=4 6053 B16R1.7381 CN(CCCC#N)Cc1cc(cc(c1)F)F 006cd5d2e2cee6f921b141ec3d74a001 [0,2,0,0,0,0|2,0,0]=4 6054 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)Br d7a9a1c5fc159ce942e8f1387f7e7632 [0,2,0,0,0,0|1,0,1]=4 6055 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)C 2c8f0b6a73e8d785a5304bd75cf1b244 [0,2,0,0,0,0|1,0,1]=4 6056 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)F 691dd4278b664739512e5d3c8b2272e7 [0,2,0,0,0,0|1,0,1]=4 6057 B16R1.7381 Cc1cc(cc(c1)CC(C)OCCC#N)C 04a8ab169470043b1c3aa966becb8683 [0,2,0,0,0,0|1,0,0]=3 6058 B16R1.7381 Cc1cc(cc(c1)CC(C)OCSC#N)C 763574cb32f20c516790a98e56931f83 [0,2,0,0,0,0|2,0,0]=4 6059 B16R1.7381 Cc1cc(cc(c1)CN(C)CCCC#N)Br 18e2f825c3b81e5830f6b3bd61dd2a40 [0,2,0,0,0,0|2,0,0]=4 6060 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Br 894ebdba87a08db884ba6f08a962a381 [0,2,0,0,0,0|1,0,1]=4 6061 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Cl fec869ee7bca3206a5e78fd0a76960f0 [0,2,0,0,0,0|1,0,1]=4 6062 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)F b075009a6e5d20af7fbd145336e50913 [0,2,0,0,0,0|1,0,1]=4 6063 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)Cl 5867840725b079da4546982fb539d413 [0,2,0,0,0,0|1,0,1]=4 6064 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)F 8eb05bad537b4336ae31282dbbf22cd2 [0,2,0,0,0,0|1,0,1]=4 6065 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)O a7d7b92b94c304208fa86abf3dbed222 [0,2,0,0,0,0|1,0,1]=4 6066 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)F)F 5e59bd2174c174cb7529d12218a08d85 [0,2,0,0,0,0|1,0,1]=4 6067 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)O)O a0f62ee12c678172f76eea20f23f19f4 [0,2,0,0,0,0|1,0,1]=4 6068 B16R1.7389 C#CCCNC(C)Cc1cccc(c1)OC a94a45b0d3b7d1b4921330712654a743 [0,2,0,0,0,0|1,0,0]=3 6069 B16R1.7389 C#CCCOC(C)Cc1cccc(c1)OC 851aadd5266621a6be2c671ce930f44c [0,2,0,0,0,0|2,0,0]=4 6070 B16R1.7389 C=CCCNC(C)Cc1cccc(c1)OC bc868089cb9801ba01aa05469af91a59 [0,2,0,0,0,0|1,0,1]=4 6071 B16R1.7389 CCCCNC(C)Cc1cccc(c1)OC 7b82d40a14bbf7c96a00d99bdd47a533 [0,2,0,0,0,0|1,0,1]=4 6072 B16R1.7389 CCc1cccc(c1)CC(=O)NCCC#N ab075127fa18b5f3a78d95abdbfaae2c [0,2,0,0,0,0|1,0,1]=4 6073 B16R1.7389 CN(CCCC#N)Cc1cccc(c1)C#N 01ca8409be2b621ec8b5420b9f966294 [0,2,0,0,0,0|2,0,0]=4 6074 B16R1.7389 CN(CCCC#N)Cc1cccc(c1)CO 6ccbac36990132dec2c88559cae31ec0 [0,2,0,0,0,0|2,0,0]=4 6075 B16R1.7389 COCCNC(C)Cc1cccc(c1)OC e8fdc66db21bf053a1a6a124e9c87c23 [0,2,0,0,0,0|2,0,0]=4 6076 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N ff7ed89a001ecddb1a9ddf6b4c88799d [0,2,0,0,0,0|1,0,1]=4 6077 B16R1.7389 COc1cccc(c1)CC(C)NCCC#N 6ea9d061c521e61886d6e27e7fa4b060 [0,2,0,0,0,0|0,0,0]=2 6078 B16R1.7389 COc1cccc(c1)CC(C)NCCC=O 48167bafc10b5d8c470210407d5930b7 [0,2,0,0,0,0|1,0,1]=4 6079 B16R1.7389 COc1cccc(c1)CC(C)NCCCF 93ab0aaf1fe562f3bf5f30d49caba18e [0,2,0,0,0,0|1,0,1]=4 6080 B16R1.7389 COc1cccc(c1)CC(C)NCCCO f0e3ae0740b8077d41f21045500413e6 [0,2,0,0,0,0|1,0,1]=4 6081 B16R1.7389 COc1cccc(c1)CC(C)NCCCS 05a7df07f9e2837e7af4c3b62587e32d [0,2,0,0,0,0|1,0,1]=4 6082 B16R1.7389 COc1cccc(c1)CC(C)NCCSC 86425e09293ff6b9a9a11e5f14a85dd4 [0,2,0,0,0,0|2,0,0]=4 6083 B16R1.7389 COc1cccc(c1)CC(C)NCSC#N 1d6813fb03c2300cc855f60f1c0e9e4d [0,2,0,0,0,0|1,0,0]=3 6084 B16R1.7389 COc1cccc(c1)CC(C)OCCC#N 6c70f69f93c43a6b1837ef5fa4e2aaaa [0,2,0,0,0,0|1,0,0]=3 6085 B16R1.7389 COc1cccc(c1)CC(C)OCSC#N 31d84910bad03e3d24986b1b0d2d3b74 [0,2,0,0,0,0|2,0,0]=4 6086 B16R1.7389 COc1cccc(c1)CN(C)CCCC#N c20cdb14065a78a6e7929a56aeda06e9 [0,2,0,0,0,0|2,0,0]=4 6087 B16R1.7389 CSc1cccc(c1)CN(C)CCCC#N 13423e5bf120487392639a90be90b3dd [0,2,0,0,0,0|2,0,0]=4 6088 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C#N eac385115b841f58f6f092682b65cef1 [0,2,0,0,0,0|1,0,1]=4 6089 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C=O 8a0136a582faab37f34e5755f042911b [0,2,0,0,0,0|1,0,1]=4 6090 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)CO 4729551205b3f98f1194854a95e3e83d [0,2,0,0,0,0|1,0,1]=4 6091 B16R1.11236 C=C(C)CCNC(C)Cc1cccc(c1)F 94f8ebca6167b2e3dcfd30215bd2a3da [0,2,0,0,0,0|1,0,1]=4 6092 B16R1.11236 C=C(C)CCN[C@@H](C)Cc1cccc(c1)Cl 3adf01c0813f2f6cce81ae7a5f0c4e64 [0,2,0,0,0,0|1,0,1]=4 6093 B16R1.11236 CC(=O)CCN[C@@H](C)Cc1cccc(c1)Cl 25a6694a6c46358e06eb758c7b51d6a9 [0,2,0,0,0,0|1,0,1]=4 6094 B16R1.11236 CC(C)CCNC(C)Cc1cccc(c1)F 48eeb8a7db78db54c368d52c2fe21a4f [0,2,0,0,0,0|1,0,1]=4 6095 B16R1.11236 CC(C)CCN[C@@H](C)Cc1cccc(c1)Cl 4f5ff0900c1794166cdbdf6e9e488d50 [0,2,0,0,0,0|1,0,1]=4 6096 B16R1.11236 CC(Cc1cccc(c1)F)NCCC(=O)N b09fd8bdb7a91d555d2780df7c174411 [0,2,0,0,0,0|0,0,2]=4 6097 B16R1.11236 CC(Cc1cccc(c1)F)NCCC(=O)O 36944c20818bffc3619b27ff84dc9275 [0,2,0,0,0,0|1,0,1]=4 6098 B16R1.11236 CC(Cc1cccc(c1)F)NCCC(=S)N 9e30b6f733f973461524f303433c2c13 [0,2,0,0,0,0|0,0,2]=4 6099 B16R1.11236 CC(Cc1cccc(c1)F)NCCC(F)F e338986c859bb894fa7327283328e388 [0,2,0,0,0,0|1,0,1]=4 6100 B16R1.11236 CC(Cc1cccc(c1)F)NCCN(C)C ccd465282a23c83dfad6a7e1aacc3e1e [0,2,0,0,0,0|2,0,0]=4 6101 B16R1.11236 CC(Cc1cccc(c1)F)NCCS(=O)C a40a46d7c5e52e0ad7a2c1c8698ad073 [0,2,0,0,0,0|2,0,0]=4 6102 B16R1.11236 CC(Cc1cccc(c1)F)NCC[C@@H](C)O fae1efddfd1a007e71e8818d1c29d468 [0,2,0,0,0,0|1,0,1]=4 6103 B16R1.11236 CC(Cc1cccc(c1)F)NCC[C@H](C)O ce0d3c409f6c845171775f2d6cb41bc0 [0,2,0,0,0,0|1,0,1]=4 6104 B16R1.11236 CC(O)CCNC(C)Cc1cccc(c1)F 7a2e8641b0214a47a11d1a65db2ca42d [0,2,0,0,0,0|1,0,1]=4 6105 B16R1.11236 CC(O)CCN[C@@H](C)Cc1cccc(c1)Cl 75b06995cf7661e2ddfe3435fe87c4be [0,2,0,0,0,0|1,0,1]=4 6106 B16R1.11236 C[C@@H](Cc1cccc(c1)Cl)NCCC(=O)N f4fe6e8ee12ef5853c79d8b9554a9ca0 [0,2,0,0,0,0|0,0,2]=4 6107 B16R1.20523 C#CCCNC(C)(C)Cc1cccc(c1)Br a3ed6975a0da6724397814d6855803e7 [0,2,0,0,0,0|1,0,0]=3 6108 B16R1.20523 C=CCCNC(C)(C)Cc1cccc(c1)Br 73f1941ae2488797eb41c3e5e9980367 [0,2,0,0,0,0|1,0,1]=4 6109 B16R1.20523 CC(C)(Cc1cccc(c1)Br)NCCC#N f0e69934fb7a1a85a5e173c6d924a7ec [0,2,0,0,0,0|0,0,0]=2 6110 B16R1.20523 CC(C)(Cc1cccc(c1)Br)NCCC=O d3e9daf5f4035af25353e63c37385262 [0,2,0,0,0,0|1,0,1]=4 6111 B16R1.20523 CC(C)(Cc1cccc(c1)Br)NCCCF 6a9ac1d6b82374caadcb63dc4599ef9e [0,2,0,0,0,0|1,0,1]=4 6112 B16R1.20523 CC(C)(Cc1cccc(c1)Br)NCCCO cd397a438b9823c210302bb022178016 [0,2,0,0,0,0|1,0,1]=4 6113 B16R1.20523 CC(C)(Cc1cccc(c1)Br)NCCCS f14b444d46a01ba79b9191ace20d352b [0,2,0,0,0,0|1,0,1]=4 6114 B16R1.20523 CCCCNC(C)(C)Cc1cccc(c1)Br f9b0931fbe08ea6cd38aea1b6210ff34 [0,2,0,0,0,0|1,0,1]=4 6115 B16R1.20523 COCCNC(C)(C)Cc1cccc(c1)Br 6f70406e5df0d4c7a6fa42bec8d1b587 [0,2,0,0,0,0|2,0,0]=4 6116 B16R1.20523 CSCCNC(C)(C)Cc1cccc(c1)Br dc05551cad941f6504d68523f614a6be [0,2,0,0,0,0|2,0,0]=4 6117 B16R1.20523 Cc1cccc(c1)CC(C)(C)COCC#N f8c466d353ebe40c9c45ea903d746899 [0,2,0,0,0,0|2,0,0]=4 6118 B16R1.126 C#CCCN(C)C(C=O)Cc1ccccc1 b881f6ad1f201289aedd820ea6b3c1c7 [0,2,0,0,0,0|1,0,1]=4 6119 B16R1.126 C#CCCN(C)C(CO)Cc1ccccc1 28c8c266f813069bc97101d033cdcec4 [0,2,0,0,0,0|1,0,0]=3 6120 B16R1.126 C#CCCN(C)[C@H](CO)Cc1ccccc1 a06ac47136a47ff146bf5561d52da30a [0,2,0,0,0,0|1,0,0]=3 6121 B16R1.126 C=CCCN(C)C(CO)Cc1ccccc1 f3d4d22c22da44862b27e4114a91ee37 [0,2,0,0,0,0|1,0,1]=4 6122 B16R1.126 C=CCCN(C)[C@H](CO)Cc1ccccc1 dea350b39ba9705000465e2c96096e04 [0,2,0,0,0,0|1,0,1]=4 6123 B16R1.126 CCN(Cc1ccccc1)C(=O)CCC#N 6062411163b1065cf04d52079071f135 [0,2,0,0,0,0|2,0,0]=4 6124 B16R1.126 CN(CCC#N)C(C=O)Cc1ccccc1 7d23785e14ea33ef1c9980bc570bb970 [0,2,0,0,0,0|0,0,1]=3 6125 B16R1.126 CN(CCC#N)C(CO)Cc1ccccc1 72c3369056552272ae88be2cda3db4dc [0,2,0,0,0,0|0,0,0]=2 6126 B16R1.126 CN(CCC#N)[C@H](CO)Cc1ccccc1 34d7f85864e63a8cb9ac1f2e7edb0018 [0,2,0,0,0,0|0,0,0]=2 6127 B16R1.126 CN(CCC=O)C(CO)Cc1ccccc1 fb0c7922d467195246df304695b4a7a6 [0,2,0,0,0,0|1,0,1]=4 6128 B16R1.126 CN(CCC=O)[C@H](CO)Cc1ccccc1 ef4c4915ad0c39285756172353b9d166 [0,2,0,0,0,0|1,0,1]=4 6129 B16R1.126 COCCN(C)C(CO)Cc1ccccc1 fdb21f2c9fc94441b32c56dfea12667d [0,2,0,0,0,0|2,0,0]=4 6130 B16R1.126 COCCN(C)[C@H](CO)Cc1ccccc1 42b1250218f79f30c1f226b0e2363d81 [0,2,0,0,0,0|2,0,0]=4 6131 B16R1.126 CO[C@@H](Cc1ccccc1)C(=O)NCC#N 25697fdf15d9f0d9a668b5ebe2483464 [0,2,0,0,0,0|2,0,0]=4 6132 B16R1.126 CO[C@H](Cc1ccccc1)C(=O)NCC#N c9f46f5a0dc38fea458a8c8eb74e4b38 [0,2,0,0,0,0|2,0,0]=4 6133 B16R1.126 CSCCN(C)C(CO)Cc1ccccc1 7181951c68a48a568e7ad2486e6b7bbf [0,2,0,0,0,0|2,0,0]=4 6134 B16R1.126 CSCCN(C)[C@H](CO)Cc1ccccc1 c4a6fc4a74e3948af93f437c7458ca46 [0,2,0,0,0,0|2,0,0]=4 6135 B16R1.945 CC(CC#N)N(C)C(C)Cc1ccccn1 f6c1e671ad80d2f2640e57d7365e3c71 [0,2,0,0,0,0|1,0,0]=3 6136 B16R1.945 CC(CC#N)N(C)C(C)Cc1cccnc1 fb8f2db5dcddc2caf36d8110ecabefe9 [0,2,0,0,0,0|1,0,0]=3 6137 B16R1.945 CC(CC#N)N(C)C(C)Cc1cnccn1 2a4d21a2ddc7505e4fc130f16cdcf47e [0,2,0,0,0,0|2,0,0]=4 6138 B16R1.945 CC(Cc1ccccn1)N(C)C(=O)CC#N 45be29161eb203ef4c008a305e0c2c10 [0,2,0,0,0,0|1,0,1]=4 6139 B16R1.945 CC(Cc1cccnc1)N(C)C(=O)CC#N 34909b54b985ad68b417825dcf07099d [0,2,0,0,0,0|1,0,1]=4 6140 B16R1.1127 C=C(C#N)CN(C)C(C)Cc1ccccn1 3c150a384fe47cdce1e849bc14be8d39 [0,2,0,0,0,0|1,0,1]=4 6141 B16R1.1127 CC(C#N)CC(=O)N(C)Cc1ccccc1 360a91def5c3064122c7419c4b41ecc0 [0,2,0,0,0,0|2,0,0]=4 6142 B16R1.1284 CC(Cc1ccccc1)N(C)CCC(=O)O 18086a1db4672c193aeb028f61cc30d6 [0,2,0,0,0,0|1,0,1]=4 6143 B16R1.4510 C#CCCN(CC)C(C)Cc1cccnc1 2d41f1dd85dd72839b92893824c24bb3 [0,2,0,0,0,0|2,0,0]=4 6144 B16R1.4510 CCN(CCC#N)C(C)Cc1cccnc1 54d2ec8a14f5c946dd19386e84b664cb [0,2,0,0,0,0|1,0,0]=3 6145 B16R1.7523 CC(CCC#N)N(C)Cc1ccccc1Cl 28280517bd56f0e689a520fd50708616 [0,2,0,0,0,0|2,0,0]=4 6146 B16R1.7523 CC(CCC#N)N(C)Cc1ccccc1F b7d21ca2854c2d648b9879078c1490a3 [0,2,0,0,0,0|2,0,0]=4 6147 B16R1.7523 CC(CCC#N)N(C)Cc1ccccc1I ce7ae23d30b40b3fa37a2029e92ac27b [0,2,0,0,0,0|2,0,0]=4 6148 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Br 91cf78364dfa43049f33acc745e5fdf6 [0,2,0,0,0,0|1,0,1]=4 6149 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1Cl 00f92babc43c6d0dbc08f7dfc950f86f [0,2,0,0,0,0|1,0,1]=4 6150 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1F 815863b2f44a8c34766f8c9ca359e8f5 [0,2,0,0,0,0|1,0,1]=4 6151 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1I 7899a20889b849d853471a7c8cfa6c80 [0,2,0,0,0,0|1,0,1]=4 6152 B16R1.7523 CN(CCC#N)C(=O)Cc1ccccc1O 7c89c15e73bd141c47662742f16849f6 [0,2,0,0,0,0|1,0,1]=4 6153 B16R1.7523 CN(Cc1ccccc1Br)C(=O)CCC#N 42e68eb1251b5f3b8d76e826f0414b18 [0,2,0,0,0,0|2,0,0]=4 6154 B16R1.7523 CN(Cc1ccccc1Cl)C(=O)CCC#N e7eee44b093528bb4ab2f8433657193f [0,2,0,0,0,0|2,0,0]=4 6155 B16R1.7523 CN(Cc1ccccc1F)C(=O)CCC#N 7ab5a6e01120878ec502371eebece04e [0,2,0,0,0,0|2,0,0]=4 6156 B16R1.7523 CN(Cc1ccccc1I)C(=O)CCC#N 6284a5ab13896853c56c2e0fe8c688df [0,2,0,0,0,0|2,0,0]=4 6157 B16R1.7523 CN(Cc1ccccc1O)C(=O)CCC#N 626b66cbffd218b7189b0ea8fa62f154 [0,2,0,0,0,0|2,0,0]=4 6158 B16R1.7523 Cc1ccccc1CC(=O)N(C)CCC#N f3bd95065d2500a1546baca8aade26ae [0,2,0,0,0,0|1,0,1]=4 6159 B16R1.7523 Cc1ccccc1CN(C)C(C)CCC#N efbc51237375e8f1c90244bad78adcca [0,2,0,0,0,0|2,0,0]=4 6160 B16R1.177 C=CC(CC#N)OC(C)Cc1ccccc1 4c4ce0c195cc02764764510ada64a526 [0,2,0,0,0,0|1,0,0]=3 6161 B16R1.936 C#CC(Cc1ccccc1)OC(C)CC#N f2e757369766cc6c9d643ee4ddc0d35f [0,2,0,0,0,0|1,0,1]=4 6162 B16R1.936 C#CCC(=O)NC(CC)Cc1ccccc1 9d6571288cb4e6c3610ac9650e00cf14 [0,2,0,0,0,0|1,0,1]=4 6163 B16R1.936 C#CCC(=O)NC(CO)Cc1ccccc1 4d04cfbe4c8f635b0437b205971c9a60 [0,2,0,0,0,0|1,0,1]=4 6164 B16R1.936 C#CCC(=O)N[C@@H](CO)Cc1ccccc1 667b03212dec5babac6ac758d5154213 [0,2,0,0,0,0|1,0,1]=4 6165 B16R1.936 C#CCC(=O)N[C@H](CO)Cc1ccccc1 0114e095497abd070fbd1128c42bb1d7 [0,2,0,0,0,0|1,0,1]=4 6166 B16R1.936 CC(CC#N)NC(C#N)Cc1ccccc1 bc46b22ee6a65455596a48ebc0c563e6 [0,2,0,0,0,0|0,0,1]=3 6167 B16R1.936 CC(CC#N)NC(C=O)Cc1ccccc1 70bdb9b7b63cece9164c9323d9e28e94 [0,2,0,0,0,0|0,0,1]=3 6168 B16R1.936 CC(CC#N)NC(CO)Cc1ccccc1 64ffd612262240066867e9b7cfc4c641 [0,2,0,0,0,0|0,0,0]=2 6169 B16R1.936 CC(CC#N)N[C@@H](CO)Cc1ccccc1 8c83456b07ee6a66215863a7a0273b53 [0,2,0,0,0,0|0,0,0]=2 6170 B16R1.936 CC(CC#N)N[C@H](CO)Cc1ccccc1 71a0f1e6bf7ee99e8bbbb46d86234b21 [0,2,0,0,0,0|0,0,0]=2 6171 B16R1.936 CC(CC#N)OC(C=O)Cc1ccccc1 50fadc5eaff36c1f5fcdd59bcf8b49dc [0,2,0,0,0,0|1,0,1]=4 6172 B16R1.936 CCC(Cc1ccccc1)NC(=O)CC#N d82dbbd0060f1b28d4f8b6fe9f8011c3 [0,2,0,0,0,0|0,0,1]=3 6173 B16R1.936 CCC(Cc1ccccc1)NC(C)CC#N 01424273b4a1f0b3a536d12ea9962c0b [0,2,0,0,0,0|0,0,0]=2 6174 B16R1.936 CCC(Cc1ccccc1)NC(C)COC a774c9017598ed2d316e916a8fe6353c [0,2,0,0,0,0|2,0,0]=4 6175 B16R1.936 CCC(Cc1ccccn1)OC(C)CC#N ea7f9c15b725dc7c097d59c57707d720 [0,2,0,0,0,0|2,0,0]=4 6176 B16R1.936 COCC(C)NC(CO)Cc1ccccc1 af18efa1cc12d1f387cd6e4c3d984017 [0,2,0,0,0,0|2,0,0]=4 6177 B16R1.936 COCC(C)N[C@@H](CO)Cc1ccccc1 d7ea5f81b7e20c374dd6b21ececa234b [0,2,0,0,0,0|2,0,0]=4 6178 B16R1.936 COCC(C)N[C@H](CO)Cc1ccccc1 9580da6cc704bc305799a704a526ed55 [0,2,0,0,0,0|2,0,0]=4 6179 B16R1.936 C[C@@H](CC#N)OC(C=O)Cc1ccccc1 dcc6c65873c488a150965a169818d5bc [0,2,0,0,0,0|1,0,1]=4 6180 B16R1.936 C[C@H](CC#N)OC(C=O)Cc1ccccc1 31a0a032c0c01a18b59815fa0647ba0a [0,2,0,0,0,0|1,0,1]=4 6181 B16R1.936 N#CCC(=O)NC(C#N)Cc1ccccc1 b0b692f04ca6d943a8f1ed2f096064ab [0,2,0,0,0,0|0,0,2]=4 6182 B16R1.936 N#CCC(=O)NC(CO)Cc1ccccc1 e8f1089ccf3f67521cfd95d3c79252e6 [0,2,0,0,0,0|0,0,1]=3 6183 B16R1.936 N#CCC(=O)N[C@@H](CO)Cc1ccccc1 21d49b1b855ff1622f2dccdec291d11e [0,2,0,0,0,0|0,0,1]=3 6184 B16R1.936 N#CCC(=O)N[C@H](CO)Cc1ccccc1 f7320fdc0d2aa4281e53a62a59817dc9 [0,2,0,0,0,0|0,0,1]=3 6185 B16R1.4235 C#CCC(=O)NC(C)Cc1ccccc1O 280c2ce818b17b64a3b22f919e0116e9 [0,2,0,0,0,0|1,0,1]=4 6186 B16R1.4235 CC(CC#N)NC(=O)Cc1ccccc1Br 448e2142f3a105927fce727a59842d9f [0,2,0,0,0,0|1,0,1]=4 6187 B16R1.4235 CC(CC#N)NC(=O)Cc1ccccc1Cl 26ec264a0c7662684dfff64fe013ef9b [0,2,0,0,0,0|1,0,1]=4 6188 B16R1.4235 CC(CC#N)NC(=O)Cc1ccccc1F 0c74263acdc6e0f8df34d82110b89f65 [0,2,0,0,0,0|1,0,1]=4 6189 B16R1.4235 CC(CC#N)NC(=O)Cc1ccccc1I 7423d8d8e875c18366569b3bbfc23c91 [0,2,0,0,0,0|1,0,1]=4 6190 B16R1.4235 CC(CC#N)NC(=O)Cc1ccccc1O a1ff3d69ea19780640e2e286559e7bfb [0,2,0,0,0,0|1,0,1]=4 6191 B16R1.4235 CC(Cc1ccccc1O)NC(=O)CC#N 4867e9525d60e45f77f795fe6b4a139e [0,2,0,0,0,0|0,0,1]=3 6192 B16R1.4235 CN(Cc1ccccc1Cl)CC(O)CC#N 4849e25886d704072c4af6a7a21c33c3 [0,2,0,0,0,0|2,0,0]=4 6193 B16R1.4235 CN(Cc1ccccc1Cl)C[C@@H](O)CC#N acf4cac69268aaa9dbda5d519aa213e0 [0,2,0,0,0,0|2,0,0]=4 6194 B16R1.4235 CN(Cc1ccccc1Cl)C[C@H](O)CC#N 29c0dccbc02a9dc3f6b21a33392559c5 [0,2,0,0,0,0|2,0,0]=4 6195 B16R1.4235 CN(Cc1ccccc1F)CC(O)CC#N 9d63e1d0d8d592b6bc166d9291862b90 [0,2,0,0,0,0|2,0,0]=4 6196 B16R1.4235 CN(Cc1ccccc1F)C[C@@H](O)CC#N 48b9a627af18f2df954a82b38989479f [0,2,0,0,0,0|2,0,0]=4 6197 B16R1.4235 CN(Cc1ccccc1F)C[C@H](O)CC#N b890c075403937a89b41f9c7549f1466 [0,2,0,0,0,0|2,0,0]=4 6198 B16R1.4235 CN(Cc1ccccc1I)CC(O)CC#N 9d2aaba7c1c472368fbacc1910d0784e [0,2,0,0,0,0|2,0,0]=4 6199 B16R1.4235 CN(Cc1ccccc1I)C[C@@H](O)CC#N ec2099917aa38fc14e8ab13f5e89c82e [0,2,0,0,0,0|2,0,0]=4 6200 B16R1.4235 CN(Cc1ccccc1I)C[C@H](O)CC#N a13f7b8b625705d0049c99b72d2aec96 [0,2,0,0,0,0|2,0,0]=4 6201 B16R1.4235 Cc1ccccc1CC(=O)NC(C)CC#N 2b27c6d52a66df3ce5a31dae383d723c [0,2,0,0,0,0|1,0,1]=4 6202 B16R1.4235 Cc1cccnc1CC(C)OC(C)CC#N 48b1ac42ce1b954937b069125ba7d460 [0,2,0,0,0,0|2,0,0]=4 6203 B16R1.360 CC(Cc1ccccn1)NCC(C)(C)C#N 5370858ddda5e14ecbedec8fa2c75e0f [0,2,0,0,0,0|1,0,0]=3 6204 B16R1.360 CC(Cc1ccccn1)OCC(C)(C)C#N a60c041ef6c7a9d2adb23307a121264a [0,2,0,0,0,0|2,0,0]=4 6205 B16R1.360 CC(Cc1cccnc1)NCC(C)(C)C#N 06afe336f03ff808cdcaabb76af02599 [0,2,0,0,0,0|1,0,0]=3 6206 B16R1.360 CC(Cc1ccncc1)NCC(C)(C)C#N 5fa3f5bccd4c772e3f8bbf70d3597240 [0,2,0,0,0,0|1,0,0]=3 6207 B16R1.360 CC(Cc1cnccn1)NCC(C)(C)C#N 45fcd09a5d66a875714e8159bfe34c66 [0,2,0,0,0,0|2,0,0]=4 6208 B16R1.4132 CC(Cc1ccccc1)NCC(C)C(=O)O d2fcb98f3e79f84dca1136e9c36aaac4 [0,2,0,0,0,0|1,0,1]=4 6209 B16R1.4132 CC(Cc1ccccc1)NCC(O)C(=O)O 6293a4999ca7c6819ff9e34ba7a540a3 [0,2,0,0,0,0|1,0,1]=4 6210 B16R1.4132 CC(Cc1ccccc1)NC[C@@H](C)C(=O)O c25b74ef3c5e5813e7414d161d897252 [0,2,0,0,0,0|1,0,1]=4 6211 B16R1.4132 CC(Cc1ccccc1)NC[C@@H](O)C(=O)O c6a13b9f164db7d2bc8cbaf762f5241b [0,2,0,0,0,0|1,0,1]=4 6212 B16R1.4132 CC(Cc1ccccc1)NC[C@H](C)C(=O)O e1d1a4ba500add12852e8ce11e663a8c [0,2,0,0,0,0|1,0,1]=4 6213 B16R1.4132 CC(Cc1ccccc1)NC[C@H](O)C(=O)O f49092b98fe71306c2ad58c0627c74cc [0,2,0,0,0,0|1,0,1]=4 6214 B16R1.4400 C=C(C#N)CNC(C#N)Cc1ccccc1 90fd642248d677c15d06f382bae52426 [0,2,0,0,0,0|0,0,2]=4 6215 B16R1.4400 C=C(C#N)CNC(CC)Cc1ccccc1 4600334ac980478b6761e7a103c11162 [0,2,0,0,0,0|0,0,1]=3 6216 B16R1.4400 C=C(C#N)CNC(CO)Cc1ccccc1 e72caf83ce09a45c15ad71505b495e7c [0,2,0,0,0,0|0,0,1]=3 6217 B16R1.4400 C=C(C#N)CN[C@@H](CO)Cc1ccccc1 6f82c92a3550abf7de0f337ddb1cd6c8 [0,2,0,0,0,0|0,0,1]=3 6218 B16R1.4400 C=C(C#N)CN[C@H](CO)Cc1ccccc1 02dab31061fa3d8c396bb6348dd62a95 [0,2,0,0,0,0|0,0,1]=3 6219 B16R1.4400 C=C(C#N)COC(CC)Cc1ccccc1 191b78298b62f1a2a8d7b32194a05501 [0,2,0,0,0,0|1,0,1]=4 6220 B16R1.4400 C=CC(O)CN[C@H](CO)Cc1ccccc1 579d78570e4ec8726a5a2c42a7eb834d [0,2,0,0,0,0|1,0,1]=4 6221 B16R1.4400 CC(C#N)CNC(C=O)Cc1ccccc1 afdd80facb5b4859b8644fba203d6828 [0,2,0,0,0,0|0,0,1]=3 6222 B16R1.4400 CC(CO)CNC(CO)Cc1ccccc1 47967d945fdd401dd5cff921b286a9a0 [0,2,0,0,0,0|1,0,1]=4 6223 B16R1.4400 CC(CO)CN[C@@H](CO)Cc1ccccc1 831434389615d75b6119cb0b1a5d75a3 [0,2,0,0,0,0|1,0,1]=4 6224 B16R1.4400 CC(CO)CN[C@H](CO)Cc1ccccc1 afe67f7281c3034de8e65c57275e53c8 [0,2,0,0,0,0|1,0,1]=4 6225 B16R1.4400 CCC(C)CNC(CC)Cc1ccccc1 9ba87860e5ef7f57c23f88a71ecbe743 [0,2,0,0,0,0|1,0,1]=4 6226 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 d385dbc59b0b214b007457db6819aac8 [0,2,0,0,0,0|1,0,1]=4 6227 B16R1.4400 CCC(C)CN[C@@H](CO)Cc1ccccc1 6e8916d119d0032ba98a0be8a3e38ca0 [0,2,0,0,0,0|1,0,1]=4 6228 B16R1.4400 CCC(C)CN[C@H](CO)Cc1ccccc1 0374dd3b71269e765164add52b24ad95 [0,2,0,0,0,0|1,0,1]=4 6229 B16R1.4400 CCC(Cc1ccccc1)NCC(C)C#N 337b72aa6709b20beddbd550f190da4c [0,2,0,0,0,0|0,0,0]=2 6230 B16R1.4400 CCC(Cc1ccccc1)NCC(C)CO 7a033fb00a3e906133e8f39f330512b4 [0,2,0,0,0,0|1,0,1]=4 6231 B16R1.4400 CCC(Cc1ccccc1)NCC(C)OC 4f6e52122541b706ae20c8a27f689def [0,2,0,0,0,0|2,0,0]=4 6232 B16R1.4400 CCC(Cc1ccccc1)NCC(O)CF 73d88aedfa9d5018f0162348a9ec40de [0,2,0,0,0,0|1,0,1]=4 6233 B16R1.4400 CCC(Cc1ccccc1)NCC(O)CO d77944a5797421be7898d9ff2e0f2baf [0,2,0,0,0,0|1,0,1]=4 6234 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](C)CC 60d92cf231862569e428f95ea427c7e1 [0,2,0,0,0,0|1,0,1]=4 6235 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](C)CO 522d3df1e051cf5ad94037a6285c5295 [0,2,0,0,0,0|1,0,1]=4 6236 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](C)OC 54d872661a70abfe75d04ed9334ef41b [0,2,0,0,0,0|2,0,0]=4 6237 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](O)CO 422ce53ebf54c6293d79e84e933f20f9 [0,2,0,0,0,0|1,0,1]=4 6238 B16R1.4400 CCC(Cc1ccccc1)NC[C@H](C)CC ad05d305ba7c7259dc8cb097a8631e00 [0,2,0,0,0,0|1,0,1]=4 6239 B16R1.4400 CCC(Cc1ccccc1)NC[C@H](C)CO 8c1d29b2b3318b441915066a1d701c8a [0,2,0,0,0,0|1,0,1]=4 6240 B16R1.4400 CCC(Cc1ccccc1)NC[C@H](C)OC a26f93c67bb8f4fa5d8dab5d4385a04a [0,2,0,0,0,0|2,0,0]=4 6241 B16R1.4400 CCC(Cc1ccccc1)NC[C@H](O)CO f3509f0e2c62ba49df14da4b4f406578 [0,2,0,0,0,0|1,0,1]=4 6242 B16R1.4400 CCC(Cc1ccccn1)OCC(C)C#N 0021ec71192696058e02f8c66a4b0236 [0,2,0,0,0,0|2,0,0]=4 6243 B16R1.4400 CCC(O)CN[C@H](CO)Cc1ccccc1 8e8c5683b05b47a16392228661e3c530 [0,2,0,0,0,0|1,0,1]=4 6244 B16R1.4400 CC[C@@H](C)CNC(CO)Cc1ccccc1 ce27ff74381e1fe6c54f81b6fd63317c [0,2,0,0,0,0|1,0,1]=4 6245 B16R1.4400 CC[C@@H](C)CN[C@@H](CO)Cc1ccccc1 3c016a9608a756521eb96a9c5d32ff45 [0,2,0,0,0,0|1,0,1]=4 6246 B16R1.4400 CC[C@@H](C)CN[C@H](CO)Cc1ccccc1 e2af11fd92f7fc4320fac2012751974e [0,2,0,0,0,0|1,0,1]=4 6247 B16R1.4400 CC[C@@H](O)CN[C@H](CO)Cc1ccccc1 a994c6625eada6875b4fbe78160f607e [0,2,0,0,0,0|1,0,1]=4 6248 B16R1.4400 CC[C@H](C)CNC(CO)Cc1ccccc1 ff6b01cb0080bf5c8198fffa9e1d02ef [0,2,0,0,0,0|1,0,1]=4 6249 B16R1.4400 CC[C@H](C)CN[C@@H](CO)Cc1ccccc1 70f7889aa9286f1e45011b390d492d36 [0,2,0,0,0,0|1,0,1]=4 6250 B16R1.4400 CC[C@H](C)CN[C@H](CO)Cc1ccccc1 7bebaeb4d76909854d5c1874b8e86981 [0,2,0,0,0,0|1,0,1]=4 6251 B16R1.4400 COC(C)CNC(CO)Cc1ccccc1 3586466ec50bd79991150ccb34c2d221 [0,2,0,0,0,0|2,0,0]=4 6252 B16R1.4400 COC(C)CN[C@@H](CO)Cc1ccccc1 92d1a6daaf2bbcef31fcbae5dbfe67e2 [0,2,0,0,0,0|2,0,0]=4 6253 B16R1.4400 COC(C)CN[C@H](CO)Cc1ccccc1 460795eb07eff115ed46675ecbf99e21 [0,2,0,0,0,0|2,0,0]=4 6254 B16R1.4400 CO[C@@H](C)CNC(CO)Cc1ccccc1 77f5415562c0ecb6430e8082c79c303b [0,2,0,0,0,0|2,0,0]=4 6255 B16R1.4400 CO[C@@H](C)CN[C@@H](CO)Cc1ccccc1 b209166af287ce038f5ce33a41238983 [0,2,0,0,0,0|2,0,0]=4 6256 B16R1.4400 CO[C@@H](C)CN[C@H](CO)Cc1ccccc1 803bc3468201c9ceca2866581eecb499 [0,2,0,0,0,0|2,0,0]=4 6257 B16R1.4400 CO[C@H](C)CNC(CO)Cc1ccccc1 523e8ae4b7f4457449bf895d672bc4b3 [0,2,0,0,0,0|2,0,0]=4 6258 B16R1.4400 CO[C@H](C)CN[C@@H](CO)Cc1ccccc1 22b8eec828dcec3539981257dbb847f7 [0,2,0,0,0,0|2,0,0]=4 6259 B16R1.4400 CO[C@H](C)CN[C@H](CO)Cc1ccccc1 acf0803d8590bcb0b01517b714856ed0 [0,2,0,0,0,0|2,0,0]=4 6260 B16R1.4400 C[C@@H](CO)CNC(CO)Cc1ccccc1 bd1dbad167c0fa16c29364b56815124f [0,2,0,0,0,0|1,0,1]=4 6261 B16R1.4400 C[C@@H](CO)CN[C@@H](CO)Cc1ccccc1 789777bf533aa55c5ff576645d29f4d1 [0,2,0,0,0,0|1,0,1]=4 6262 B16R1.4400 C[C@@H](CO)CN[C@H](CO)Cc1ccccc1 9b12f35398679be1730a011aa5949747 [0,2,0,0,0,0|1,0,1]=4 6263 B16R1.4400 C[C@H](CO)CNC(CO)Cc1ccccc1 a3a0f57a19e922142689b0f3c29b4da6 [0,2,0,0,0,0|1,0,1]=4 6264 B16R1.4400 C[C@H](CO)CN[C@@H](CO)Cc1ccccc1 c2a304fc351b27ebe93c576ed2284411 [0,2,0,0,0,0|1,0,1]=4 6265 B16R1.4400 C[C@H](CO)CN[C@H](CO)Cc1ccccc1 41cfff116f524d156386ed836d76d629 [0,2,0,0,0,0|1,0,1]=4 6266 B16R1.4400 OCC(Cc1ccccc1)NCC(O)CF f700b137c09891933a2e9887fbf87d8c [0,2,0,0,0,0|1,0,1]=4 6267 B16R1.4400 OCC(Cc1ccccc1)NC[C@@H](O)CO 3769940f52e9bc87ea0b47cb994057fc [0,2,0,0,0,0|1,0,1]=4 6268 B16R1.4400 OCC(Cc1ccccc1)NC[C@H](O)CO 545494648cafeee452b5e47e167b964e [0,2,0,0,0,0|1,0,1]=4 6269 B16R1.4400 OCC(F)CN[C@H](CO)Cc1ccccc1 55f896dc28ee308ed3392258713a4f52 [0,2,0,0,0,0|1,0,1]=4 6270 B16R1.4400 OCC(O)CNC(CO)Cc1ccccc1 de32802762d6f7fbc458b93d83cf49d6 [0,2,0,0,0,0|1,0,1]=4 6271 B16R1.4400 OCC(O)CN[C@@H](CO)Cc1ccccc1 5598b023fdc52c97957e0067032c2c2d [0,2,0,0,0,0|1,0,1]=4 6272 B16R1.4400 OCC(O)CN[C@H](CO)Cc1ccccc1 d23afd45a2b66e2171099d051417dc38 [0,2,0,0,0,0|1,0,1]=4 6273 B16R1.4400 OC[C@@H](Cc1ccccc1)NCC(O)CF 358593d6b6049cba6e0efbb2e896ff3e [0,2,0,0,0,0|1,0,1]=4 6274 B16R1.4400 OC[C@@H](F)CN[C@H](CO)Cc1ccccc1 e6caae305d83a81778dd17e428de5d9a [0,2,0,0,0,0|1,0,1]=4 6275 B16R1.4400 OC[C@@H](O)CN[C@@H](CO)Cc1ccccc1 6f1cf50d457068fa8fec0d66f3f3905d [0,2,0,0,0,0|1,0,1]=4 6276 B16R1.4400 OC[C@@H](O)CN[C@H](CO)Cc1ccccc1 26538d96d33de0af5083ef77dcf997a4 [0,2,0,0,0,0|1,0,1]=4 6277 B16R1.4400 OC[C@H](Cc1ccccc1)NCC(Br)CBr 08c3bfa53a21cc3e7c66d22523591400 [0,2,0,0,0,0|1,0,1]=4 6278 B16R1.4400 OC[C@H](Cc1ccccc1)NCC(O)CF 0d892f837a3a09f7098905f05b19e563 [0,2,0,0,0,0|1,0,1]=4 6279 B16R1.4400 OC[C@H](F)CN[C@H](CO)Cc1ccccc1 98b3fd805a97357f78c6794904bc87c4 [0,2,0,0,0,0|1,0,1]=4 6280 B16R1.4400 OC[C@H](O)CN[C@@H](CO)Cc1ccccc1 7967dcac3a3b5d4aed7507e425bcefd0 [0,2,0,0,0,0|1,0,1]=4 6281 B16R1.4400 OC[C@H](O)CN[C@H](CO)Cc1ccccc1 b5a849f01f9fbf1dfdba29d691b6b5d8 [0,2,0,0,0,0|1,0,1]=4 6282 B16R1.7458 C=C(C#N)COC(C)Cc1ccccc1Cl 1132b8960614705b2bf51295858325f2 [0,2,0,0,0,0|1,0,1]=4 6283 B16R1.7458 CC(C#N)CNC(=O)Cc1ccccc1Br 2d411eb56ab117733703772d64d679d4 [0,2,0,0,0,0|1,0,1]=4 6284 B16R1.7458 CC(C#N)CNC(=O)Cc1ccccc1Cl 06fa68dc7e332ac63deee13fb38f8a0f [0,2,0,0,0,0|1,0,1]=4 6285 B16R1.7458 CC(C#N)CNC(=O)Cc1ccccc1F 94bc4d8e4be6dc648ace7a0138152be5 [0,2,0,0,0,0|1,0,1]=4 6286 B16R1.7458 CC(C#N)CNC(=O)Cc1ccccc1I 04e9d7f912672afb1ce7d7e8ca8e008e [0,2,0,0,0,0|1,0,1]=4 6287 B16R1.7458 CC(C#N)CNC(=O)Cc1ccccc1O 7ff846f30e9ed7bddbca59f4823dbf5e [0,2,0,0,0,0|1,0,1]=4 6288 B16R1.7458 Cc1ccccc1CC(=O)NCC(C)C#N 36e7997164f975df41ffe1ac02305d9f [0,2,0,0,0,0|1,0,1]=4 6289 B16R1.7458 Cc1cccnc1CC(C)OCC(C)C#N 35bcde1572dece78c1c89be34729fce2 [0,2,0,0,0,0|2,0,0]=4 6290 B16R1.1438 C#CCCNC(COC)Cc1ccccc1 c42c687ff19c5d30073ff879bf9b734d [0,2,0,0,0,0|1,0,0]=3 6291 B16R1.1438 C#CCCN[C@@H](COC)Cc1ccccc1 cef88a808fbfd3bbe36ddbf1b30dce02 [0,2,0,0,0,0|1,0,0]=3 6292 B16R1.1438 C#CCCN[C@H](CCO)Cc1ccccc1 04e4357e7a6d3d149320275f57a9bbc9 [0,2,0,0,0,0|1,0,0]=3 6293 B16R1.1438 C#CCCN[C@H](COC)Cc1ccccc1 5ce08692eec93ff4a287497297cdb81b [0,2,0,0,0,0|1,0,0]=3 6294 B16R1.1438 C#CCN(CCCC#N)Cc1ccccc1 c6b1a1f823cfda1ecd82beb861a01265 [0,2,0,0,0,0|2,0,0]=4 6295 B16R1.1438 C=CCCNC(COC)Cc1ccccc1 3f8a3deb94bb5a5258c83d6254f3317f [0,2,0,0,0,0|1,0,1]=4 6296 B16R1.1438 C=CCCN[C@@H](COC)Cc1ccccc1 318303b39412c1b4e52aa15c287aaa4b [0,2,0,0,0,0|1,0,1]=4 6297 B16R1.1438 C=CCCN[C@H](CCO)Cc1ccccc1 c40f1d2354a7aa417a0f33f6b10e25c6 [0,2,0,0,0,0|1,0,1]=4 6298 B16R1.1438 C=CCCN[C@H](COC)Cc1ccccc1 bbfc2105bd30b0bb131d9210d9db5833 [0,2,0,0,0,0|1,0,1]=4 6299 B16R1.1438 C=CCN(CCCC#N)Cc1ccccc1 f611670afb5064160b208c7dc50f59d7 [0,2,0,0,0,0|2,0,0]=4 6300 B16R1.1438 CCCCNC(COC)Cc1ccccc1 48b04c07eebc184763ce8fcf11b7c347 [0,2,0,0,0,0|1,0,1]=4 6301 B16R1.1438 CCCCN[C@@H](COC)Cc1ccccc1 adb87a9fa92291e776a147b052acae2d [0,2,0,0,0,0|1,0,1]=4 6302 B16R1.1438 CCCCN[C@H](COC)Cc1ccccc1 14e5f56a229475f78892f93a74be739a [0,2,0,0,0,0|1,0,1]=4 6303 B16R1.1438 CCCN(CCCC#N)Cc1ccccc1 57fa20786b457db7c9be2af682dcf024 [0,2,0,0,0,0|2,0,0]=4 6304 B16R1.1438 COCC(Cc1ccccc1)NCCC#N 6246f20e8fb1ac5fcf7bac641cffdece [0,2,0,0,0,0|0,0,0]=2 6305 B16R1.1438 COCC(Cc1ccccc1)NCCC=O 2090b886ea4f30cc2ca69939969c003b [0,2,0,0,0,0|1,0,1]=4 6306 B16R1.1438 COCC(Cc1ccccc1)NCCCF eeceb45dc6f3d0e5500619d8e3804953 [0,2,0,0,0,0|1,0,1]=4 6307 B16R1.1438 COCC(Cc1ccccc1)NCCCO 0a873177dc8159a7c0179c54b88f2112 [0,2,0,0,0,0|1,0,1]=4 6308 B16R1.1438 COCC(Cc1ccccc1)NCCCS 99c9a55e370a4e4b8c39c380b38925d4 [0,2,0,0,0,0|1,0,1]=4 6309 B16R1.1438 COCC(Cc1ccccc1)NCCSC 9d7e6d8f10d928ebd317ad7a462f74e1 [0,2,0,0,0,0|2,0,0]=4 6310 B16R1.1438 COCCNC(COC)Cc1ccccc1 c366e54983c2ef0262ad599ed2209617 [0,2,0,0,0,0|2,0,0]=4 6311 B16R1.1438 COCCN[C@@H](COC)Cc1ccccc1 184c042a6df607eedbccd7c1c2e9daae [0,2,0,0,0,0|2,0,0]=4 6312 B16R1.1438 COCCN[C@H](CCO)Cc1ccccc1 6e3cc207f70617bc26e409e14599ffc1 [0,2,0,0,0,0|2,0,0]=4 6313 B16R1.1438 COCCN[C@H](COC)Cc1ccccc1 7126ad4fba3ed3d64e8c46095016ecc0 [0,2,0,0,0,0|2,0,0]=4 6314 B16R1.1438 COC[C@@H](Cc1ccccc1)NCCC#N 057fa50af7c4c2856667b7c88b00a30f [0,2,0,0,0,0|0,0,0]=2 6315 B16R1.1438 COC[C@@H](Cc1ccccc1)NCCC=O f61b3bd8270448022e5f4295ffd6ace3 [0,2,0,0,0,0|1,0,1]=4 6316 B16R1.1438 COC[C@@H](Cc1ccccc1)NCCCF f91234b8f48ff723b07c45e0ad006b78 [0,2,0,0,0,0|1,0,1]=4 6317 B16R1.1438 COC[C@@H](Cc1ccccc1)NCCCO f7bbe72ead74e051ec1babf755a655db [0,2,0,0,0,0|1,0,1]=4 6318 B16R1.1438 COC[C@@H](Cc1ccccc1)NCCCS bce586dcc712dbfb2fa465ea35937127 [0,2,0,0,0,0|1,0,1]=4 6319 B16R1.1438 COC[C@@H](Cc1ccccc1)NCCSC a59c09c701759be5ba929f18c1174ddc [0,2,0,0,0,0|2,0,0]=4 6320 B16R1.1438 COC[C@H](Cc1ccccc1)NCCC#N 69925b42a74220c0c717ca1a5cb72e81 [0,2,0,0,0,0|0,0,0]=2 6321 B16R1.1438 COC[C@H](Cc1ccccc1)NCCC=O efa0cacc4632da0482c109bef0026b00 [0,2,0,0,0,0|1,0,1]=4 6322 B16R1.1438 COC[C@H](Cc1ccccc1)NCCCF 1a00c897f3b99b3a2576ca56fab880c7 [0,2,0,0,0,0|1,0,1]=4 6323 B16R1.1438 COC[C@H](Cc1ccccc1)NCCCO 72307f7f59dd7b2089d11e4fdc479c5c [0,2,0,0,0,0|1,0,1]=4 6324 B16R1.1438 COC[C@H](Cc1ccccc1)NCCCS 0c9fcd2f4f75a8fee0eeb405f97b3c6f [0,2,0,0,0,0|1,0,1]=4 6325 B16R1.1438 COC[C@H](Cc1ccccc1)NCCSC 9d438581f0fd9ea047628d68d75088e6 [0,2,0,0,0,0|2,0,0]=4 6326 B16R1.1438 CSCCN[C@H](CCO)Cc1ccccc1 c683f582c8b9092c4d5356f726e8b4f0 [0,2,0,0,0,0|2,0,0]=4 6327 B16R1.1438 N#CCCCN(CC#N)Cc1ccccc1 6307ac9198d8f23d76ca378a123c330a [0,2,0,0,0,0|2,0,0]=4 6328 B16R1.1438 N#CCCCN(CCCl)Cc1ccccc1 0d6ba085a2030384c352cddba4fda7db [0,2,0,0,0,0|2,0,0]=4 6329 B16R1.1438 N#CCCCN(CCO)Cc1ccccc1 e87b2b426b4d556c56bdab463c0ab5e8 [0,2,0,0,0,0|2,0,0]=4 6330 B16R1.1438 N#CCCN[C@H](CCO)Cc1ccccc1 1b9c38b90a4f617eb7db0b174c4b21b1 [0,2,0,0,0,0|0,0,0]=2 6331 B16R1.1438 O=CCCN[C@H](CCO)Cc1ccccc1 46f196f95855606835181228b0b30848 [0,2,0,0,0,0|1,0,1]=4 6332 B16R1.1438 OCCCN[C@H](CCO)Cc1ccccc1 fa60947c717d08cd0d6161fad1f6c572 [0,2,0,0,0,0|1,0,1]=4 6333 B16R1.1438 OCC[C@H](Cc1ccccc1)NCCCF bb35737d40db958f14724320f9afa626 [0,2,0,0,0,0|1,0,1]=4 6334 B16R1.1759 C#CCCNC(Cc1ccccc1)C(=O)N d05ca71abf22bad30ddd679d0c9f2b78 [0,2,0,0,0,0|1,0,1]=4 6335 B16R1.1759 C#CCCNC(Cc1ccccc1)C(=O)O ea7459d534b247d16d5e62789ec6ab3e [0,2,0,0,0,0|1,0,1]=4 6336 B16R1.1759 C#CCCNC(Cc1ccccc1)C(C)C 2eee35a9b93adabdb5a8ccd4af09951f [0,2,0,0,0,0|1,0,0]=3 6337 B16R1.1759 C#CCCN[C@@H](Cc1ccccc1)C(=O)N 114f98b6aefcea2072773ab6dcafc7f7 [0,2,0,0,0,0|1,0,1]=4 6338 B16R1.1759 C#CCCN[C@@H](Cc1ccccc1)C(=O)O 66b098c6a7aae7b88bb8899f1edbf44d [0,2,0,0,0,0|1,0,1]=4 6339 B16R1.1759 C#CCCN[C@H](Cc1ccccc1)C(=O)N 36f22e41a5fdb6818139b9758ab920ea [0,2,0,0,0,0|1,0,1]=4 6340 B16R1.1759 C#CCCN[C@H](Cc1ccccc1)C(=O)O e9c3ccf834f6c505cd2d0e5978db3a60 [0,2,0,0,0,0|1,0,1]=4 6341 B16R1.1759 C=CCCNC(Cc1ccccc1)C(C)C 6d89f08410d238413575bde98ea08a9d [0,2,0,0,0,0|1,0,1]=4 6342 B16R1.1759 CC(C)C(Cc1ccccc1)NCCC#N ba47600e8ff2425c1798bee4eae2afd0 [0,2,0,0,0,0|0,0,0]=2 6343 B16R1.1759 CC(C)C(Cc1ccccc1)NCCC=O bf09f635d9ec26be8e145a9edafb47b0 [0,2,0,0,0,0|1,0,1]=4 6344 B16R1.1759 CC(C)C(Cc1ccccc1)NCCCF cc5d7ff002f578a1e6939afa74d40acb [0,2,0,0,0,0|1,0,1]=4 6345 B16R1.1759 CC(C)C(Cc1ccccn1)OCCC#N d19e0d265db896158c3f7f106ebfab86 [0,2,0,0,0,0|2,0,0]=4 6346 B16R1.1759 CC(C)N(CCCC#N)Cc1ccccc1 dd8d94ace93c8baa7ae2c1b6a2a27623 [0,2,0,0,0,0|2,0,0]=4 6347 B16R1.1759 CCCCNC(Cc1ccccc1)C(C)C 901ae764212703b010415682ba559574 [0,2,0,0,0,0|1,0,1]=4 6348 B16R1.1759 CN(C)C(COCC#N)Cc1ccccc1 76e70624da9113bc05cfe0900a75ac2c [0,2,0,0,0,0|2,0,0]=4 6349 B16R1.1759 COCCNC(Cc1ccccc1)C(C)C d3032f600a3612eb118cdc7957b260c9 [0,2,0,0,0,0|2,0,0]=4 6350 B16R1.1759 CSCCNC(Cc1ccccc1)C(C)C 160862c1c3287a59267ff52142756b34 [0,2,0,0,0,0|2,0,0]=4 6351 B16R1.1759 N#CCCNC(Cc1ccccc1)C(=O)N 09b8a716b46c49e6f762046b89e37296 [0,2,0,0,0,0|0,0,1]=3 6352 B16R1.1759 N#CCCNC(Cc1ccccc1)C(=O)O 1dc8a75bf772379ee9004918c7381f4f [0,2,0,0,0,0|0,0,1]=3 6353 B16R1.1759 N#CCCNC(Cc1ccccn1)C(=O)O cabfa5d38f1b3aef63e026a3a9be7fc9 [0,2,0,0,0,0|1,0,1]=4 6354 B16R1.1759 N#CCCNC(Cc1cccnc1)C(=O)O bf1d0dac918c6f2a10066f082ccb75b5 [0,2,0,0,0,0|1,0,1]=4 6355 B16R1.1759 N#CCCNC(Cc1ccncc1)C(=O)O da194098227e52cef3636388d371a341 [0,2,0,0,0,0|1,0,1]=4 6356 B16R1.1759 N#CCCN[C@@H](Cc1ccccc1)C(=O)N 74e7c935ac31dd8b6df52a56405e1a26 [0,2,0,0,0,0|0,0,1]=3 6357 B16R1.1759 N#CCCN[C@@H](Cc1ccccc1)C(=O)O 0ecaeb5419d489a54daaf089d9eebf46 [0,2,0,0,0,0|0,0,1]=3 6358 B16R1.1759 N#CCCN[C@@H](Cc1ccccn1)C(=O)O 47745e3e0d6472b447099ea59eb2224d [0,2,0,0,0,0|1,0,1]=4 6359 B16R1.1759 N#CCCN[C@@H](Cc1cccnc1)C(=O)O ef03cf3a3dd2fdcfd59e52812b57a401 [0,2,0,0,0,0|1,0,1]=4 6360 B16R1.1759 N#CCCN[C@@H](Cc1ccncc1)C(=O)O 48041b30b432dbab605ad4f888ebeb5f [0,2,0,0,0,0|1,0,1]=4 6361 B16R1.1759 N#CCCN[C@H](Cc1ccccc1)C(=O)N aba30dd90018b6fc6fed82febf3284ef [0,2,0,0,0,0|0,0,1]=3 6362 B16R1.1759 N#CCCN[C@H](Cc1ccccc1)C(=O)O ff923ba60fac3aceab2c1a2f5b172811 [0,2,0,0,0,0|0,0,1]=3 6363 B16R1.1759 N#CCCN[C@H](Cc1ccccn1)C(=O)O cb7979b690932bf6abe567b345e8c36e [0,2,0,0,0,0|1,0,1]=4 6364 B16R1.1759 N#CCCN[C@H](Cc1cccnc1)C(=O)O 8937b5daed119e774c053d12b9aa5419 [0,2,0,0,0,0|1,0,1]=4 6365 B16R1.1759 N#CCCN[C@H](Cc1ccncc1)C(=O)O 726ce9828d437427a46b1a11e2941a4c [0,2,0,0,0,0|1,0,1]=4 6366 B16R1.1759 N#CCCOC(Cc1ccccc1)C(=O)O 6aa106b5b792d1b0ffc31d7bd598b714 [0,2,0,0,0,0|1,0,1]=4 6367 B16R1.1759 N#CCCO[C@@H](Cc1ccccc1)C(=O)O eba13067dfb8959ffef1c8bcaf3a5f6f [0,2,0,0,0,0|1,0,1]=4 6368 B16R1.1759 N#CCCO[C@H](Cc1ccccc1)C(=O)O e12abfcabdce7345566ce3a291c44496 [0,2,0,0,0,0|1,0,1]=4 6369 B16R1.1759 N#CSCNC(Cc1ccccc1)C(=O)O 4365b86f50a1230304dd2ed95a02b31e [0,2,0,0,0,0|1,0,1]=4 6370 B16R1.1759 N#CSCN[C@@H](Cc1ccccc1)C(=O)O 9dcd0a03e67a07153725a2ea3ec95faa [0,2,0,0,0,0|1,0,1]=4 6371 B16R1.1759 N#CSCN[C@H](Cc1ccccc1)C(=O)O dc824315f1866a21eb230e3b067fa3cf [0,2,0,0,0,0|1,0,1]=4 6372 B16R1.3379 C=C(C)CCNC(CC)Cc1ccccc1 744062e67d1b60aedc782c05d7848e02 [0,2,0,0,0,0|1,0,1]=4 6373 B16R1.3379 C=C(C)CCNC(CO)Cc1ccccc1 369330e314c2f68007424e5937dd3044 [0,2,0,0,0,0|1,0,1]=4 6374 B16R1.3379 C=C(C)CCN[C@@H](CO)Cc1ccccc1 ecbafb85bb605743d4715cf563e380af [0,2,0,0,0,0|1,0,1]=4 6375 B16R1.3379 C=C(C)CCN[C@H](CO)Cc1ccccc1 5b7103f16e2e126cc9baf50a193b222d [0,2,0,0,0,0|1,0,1]=4 6376 B16R1.3379 CC(=O)CCNC(CO)Cc1ccccc1 0953e028df54bce09be646a2a7b83418 [0,2,0,0,0,0|1,0,1]=4 6377 B16R1.3379 CC(=O)CCN[C@@H](CO)Cc1ccccc1 92419c01f9b136a275f9461c4903f5d4 [0,2,0,0,0,0|1,0,1]=4 6378 B16R1.3379 CC(=O)CCN[C@H](CO)Cc1ccccc1 79c1e73b80de2abad260804a5518705a [0,2,0,0,0,0|1,0,1]=4 6379 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 3b5be048e240e1017c744716175290bf [0,2,0,0,0,0|1,0,1]=4 6380 B16R1.3379 CC(C)CCN[C@@H](CO)Cc1ccccc1 3d0f910146dea29cecaadd7e465d2b0c [0,2,0,0,0,0|1,0,1]=4 6381 B16R1.3379 CC(C)CCN[C@H](CO)Cc1ccccc1 863b234bc9eab283a3316e810ea58ce7 [0,2,0,0,0,0|1,0,1]=4 6382 B16R1.3379 CC(O)CCNC(CO)Cc1ccccc1 c3754609fda73c155b99b480805fcaeb [0,2,0,0,0,0|1,0,1]=4 6383 B16R1.3379 CC(O)CCN[C@@H](CO)Cc1ccccc1 5f1335c4a79403bd772049a539dd2a8c [0,2,0,0,0,0|1,0,1]=4 6384 B16R1.3379 CC(O)CCN[C@H](CO)Cc1ccccc1 23d2920aec9b35bf029fac4d243c52a6 [0,2,0,0,0,0|1,0,1]=4 6385 B16R1.3379 CCC(Cc1ccccc1)NCCC(=O)C 4601decde36f362b1fc7f48c7e5b5aed [0,2,0,0,0,0|1,0,1]=4 6386 B16R1.3379 CCC(Cc1ccccc1)NCCC(=O)N 5c50c16435a71f6a7ac5e313eeb76a7d [0,2,0,0,0,0|0,0,2]=4 6387 B16R1.3379 CCC(Cc1ccccc1)NCCC(=O)O c81ff9629938c83137338b88ba01b3dd [0,2,0,0,0,0|1,0,1]=4 6388 B16R1.3379 CCC(Cc1ccccc1)NCCC(C)C 978fa597a252d32ff2a190fb8a7ef33d [0,2,0,0,0,0|1,0,1]=4 6389 B16R1.3379 CCC(Cc1ccccc1)NCCC(C)O b9f07a13d38e25cb81c02f1bef00fc15 [0,2,0,0,0,0|1,0,1]=4 6390 B16R1.3379 CCC(Cc1ccccc1)NCCN(C)C 313ed57b47ba83af11080bfbb9b58b8a [0,2,0,0,0,0|2,0,0]=4 6391 B16R1.3379 CCC(Cc1ccccc1)NCCS(=O)C fbb86b51611b314d0b6e85cc8c817c24 [0,2,0,0,0,0|2,0,0]=4 6392 B16R1.3379 CN(C)CCNC(CO)Cc1ccccc1 e424e3cc3bce056c16cfb481a91fc978 [0,2,0,0,0,0|2,0,0]=4 6393 B16R1.3379 CN(C)CCN[C@@H](CO)Cc1ccccc1 1eac59ca0e390c6afcde5e6968041c6d [0,2,0,0,0,0|2,0,0]=4 6394 B16R1.3379 CN(C)CCN[C@H](CO)Cc1ccccc1 1003ef06d5d8d18d672d790ebb1fb17c [0,2,0,0,0,0|2,0,0]=4 6395 B16R1.3379 CS(=O)CCNC(CO)Cc1ccccc1 f7369d9879862f66abbaf4df1e631d3b [0,2,0,0,0,0|2,0,0]=4 6396 B16R1.3379 CS(=O)CCN[C@@H](CO)Cc1ccccc1 30b75096ee8911f136ee369fe46a67de [0,2,0,0,0,0|2,0,0]=4 6397 B16R1.3379 CS(=O)CCN[C@H](CO)Cc1ccccc1 4d3f4ac5608db90281c89f07f3156283 [0,2,0,0,0,0|2,0,0]=4 6398 B16R1.3379 NC(=O)CCNC(CO)Cc1ccccc1 7969e543f3b47c29ecd1c2204b6368ce [0,2,0,0,0,0|0,0,2]=4 6399 B16R1.3379 NC(=O)CCN[C@@H](CO)Cc1ccccc1 5bae43c98ad451199e9ddbdcb90bee67 [0,2,0,0,0,0|0,0,2]=4 6400 B16R1.3379 NC(=O)CCN[C@H](CO)Cc1ccccc1 92593f540c771853b0c65e5f00684b32 [0,2,0,0,0,0|0,0,2]=4 6401 B16R1.3379 O=C(O)CCNC(CO)Cc1ccccc1 08620cbebe7b4596bf4b7db1a6e1da11 [0,2,0,0,0,0|1,0,1]=4 6402 B16R1.3379 O=C(O)CCN[C@@H](CO)Cc1ccccc1 0715e3a62fbf47bb9ba9c202516833b1 [0,2,0,0,0,0|1,0,1]=4 6403 B16R1.3379 O=C(O)CCN[C@H](CO)Cc1ccccc1 a7fa7289ee0524f0bc248b861ac344d0 [0,2,0,0,0,0|1,0,1]=4 6404 B16R1.3677 C#CCCNC(CO)Cc1ccccc1Br 6d1bb37ab2c5a169f5951ed747110672 [0,2,0,0,0,0|1,0,0]=3 6405 B16R1.3677 C#CCCNC(CO)Cc1ccccc1C b51b9b78f1b53ac2bf86a417a4e9cb70 [0,2,0,0,0,0|1,0,0]=3 6406 B16R1.3677 C#CCCNC(CO)Cc1ccccc1Cl 337d8b848d292dec8b8fcedf3c8e573f [0,2,0,0,0,0|1,0,0]=3 6407 B16R1.3677 C#CCCNC(CO)Cc1ccccc1F 59b999423a3396ce418a3c555bc28158 [0,2,0,0,0,0|1,0,0]=3 6408 B16R1.3677 C#CCCN[C@H](CO)Cc1ccccc1C b2ae9ed06fc7984ec1f3b94b36898394 [0,2,0,0,0,0|1,0,0]=3 6409 B16R1.3677 C#CCCN[C@H](CO)Cc1ccccc1Cl 4477bc5e6ff0f595a94c729979bdf836 [0,2,0,0,0,0|1,0,0]=3 6410 B16R1.3677 C#CCCN[C@H](CO)Cc1ccccc1F 517e84b95dddf80881c35a5c5b52e309 [0,2,0,0,0,0|1,0,0]=3 6411 B16R1.3677 C=CCCNC(CO)Cc1ccccc1Br 5782b3fb46b3750d3da3bb6f96831bc0 [0,2,0,0,0,0|1,0,1]=4 6412 B16R1.3677 C=CCCNC(CO)Cc1ccccc1C 2703d6f1df12cc41733d16bf54ecd4cc [0,2,0,0,0,0|1,0,1]=4 6413 B16R1.3677 C=CCCNC(CO)Cc1ccccc1Cl 345259e8034b3b5d008ea259224da3ca [0,2,0,0,0,0|1,0,1]=4 6414 B16R1.3677 C=CCCNC(CO)Cc1ccccc1F 2a8648a8999005920bebc8f7dc552c41 [0,2,0,0,0,0|1,0,1]=4 6415 B16R1.3677 C=CCCN[C@H](CO)Cc1ccccc1C d00d66e87dc1ebdb4b9cd6a5bd2ef7df [0,2,0,0,0,0|1,0,1]=4 6416 B16R1.3677 C=CCCN[C@H](CO)Cc1ccccc1Cl 42e40dd82a1d1be5e2d924e131f46057 [0,2,0,0,0,0|1,0,1]=4 6417 B16R1.3677 C=CCCN[C@H](CO)Cc1ccccc1F 267237c6c0d41649eb266d47a2a4a043 [0,2,0,0,0,0|1,0,1]=4 6418 B16R1.3677 CCCCNC(CO)Cc1ccccc1C dd975e3a45122a119aa36348dc9ee5be [0,2,0,0,0,0|1,0,1]=4 6419 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl e682d6a161cd85f5da99d3acbef5f54e [0,2,0,0,0,0|1,0,1]=4 6420 B16R1.3677 CCCCNC(CO)Cc1ccccc1F 7c7a67594db56f2e5cb7dc7a435f0d7a [0,2,0,0,0,0|1,0,1]=4 6421 B16R1.3677 CCCCN[C@H](CO)Cc1ccccc1C 8b26ac236f1704efc85f30124ae407c0 [0,2,0,0,0,0|1,0,1]=4 6422 B16R1.3677 CCCCN[C@H](CO)Cc1ccccc1Cl 9877345dc34f5761ef1bb119189aac55 [0,2,0,0,0,0|1,0,1]=4 6423 B16R1.3677 CCCCN[C@H](CO)Cc1ccccc1F ebebd2485dccd141fd5419517dcff93b [0,2,0,0,0,0|1,0,1]=4 6424 B16R1.3677 CCN(CCCC#N)Cc1ccccc1C 474d2343c30bd728b165d1c42bf79ff2 [0,2,0,0,0,0|2,0,0]=4 6425 B16R1.3677 CCN(CCCC#N)Cc1ccccc1F a79aa4b89223d394f8ce89d67448c1fd [0,2,0,0,0,0|2,0,0]=4 6426 B16R1.3677 COCCNC(CO)Cc1ccccc1Br fcf2367075c70b0973d1e817e754d7ce [0,2,0,0,0,0|2,0,0]=4 6427 B16R1.3677 COCCNC(CO)Cc1ccccc1C ab749a9ec633c1d7ebcfb3b49b882368 [0,2,0,0,0,0|2,0,0]=4 6428 B16R1.3677 COCCNC(CO)Cc1ccccc1Cl eaa2d597248d9fc2e7033dec16995d15 [0,2,0,0,0,0|2,0,0]=4 6429 B16R1.3677 COCCNC(CO)Cc1ccccc1F d8050b6dcf7f352be8b09dcdc4665a18 [0,2,0,0,0,0|2,0,0]=4 6430 B16R1.3677 COCCN[C@H](CO)Cc1ccccc1C 9f856f399d3e17939bc80cf6bfa5ff54 [0,2,0,0,0,0|2,0,0]=4 6431 B16R1.3677 COCCN[C@H](CO)Cc1ccccc1Cl 888debeef6cfa14e3349e38c8d9c638d [0,2,0,0,0,0|2,0,0]=4 6432 B16R1.3677 COCCN[C@H](CO)Cc1ccccc1F 9117d17fb2745da1300ef2b200b1719c [0,2,0,0,0,0|2,0,0]=4 6433 B16R1.3677 CSCCNC(CO)Cc1ccccc1Br d1d95ee47e12b5203a029c9025a0ea4a [0,2,0,0,0,0|2,0,0]=4 6434 B16R1.3677 CSCCNC(CO)Cc1ccccc1C f8c01b849c817fba5b886235bfdc64ce [0,2,0,0,0,0|2,0,0]=4 6435 B16R1.3677 CSCCNC(CO)Cc1ccccc1Cl 3e1438a9b1a13a6f1d772ce90f1da119 [0,2,0,0,0,0|2,0,0]=4 6436 B16R1.3677 CSCCNC(CO)Cc1ccccc1F 739be282b0cce525ff776130f590ab05 [0,2,0,0,0,0|2,0,0]=4 6437 B16R1.3677 CSCCN[C@H](CO)Cc1ccccc1C 48a473621e69b3ef3ea4253dede8db2f [0,2,0,0,0,0|2,0,0]=4 6438 B16R1.3677 CSCCN[C@H](CO)Cc1ccccc1Cl bd05327a4811978d0c6a0931864d73aa [0,2,0,0,0,0|2,0,0]=4 6439 B16R1.3677 CSCCN[C@H](CO)Cc1ccccc1F a8b4452acf78be30195a1b85c7b30461 [0,2,0,0,0,0|2,0,0]=4 6440 B16R1.3677 Cc1ccccc1CC(CO)NCCC#N be4015680bbc4695635a8f1f7dc690fe [0,2,0,0,0,0|0,0,0]=2 6441 B16R1.3677 Cc1ccccc1CC(CO)NCCC=O 173fbe54e233ef7d41088466d16725f5 [0,2,0,0,0,0|1,0,1]=4 6442 B16R1.3677 Cc1ccccc1CC(CO)NCCCF 9e64e1cac706d0b2e06d7719dea868a5 [0,2,0,0,0,0|1,0,1]=4 6443 B16R1.3677 Cc1ccccc1CC(CO)NCCCO 08b7bbf40e5fe9adde8d26e56dd7117b [0,2,0,0,0,0|1,0,1]=4 6444 B16R1.3677 Cc1ccccc1CC(CO)NCCCS 3bc57fa74934852a1bb6605a7136d353 [0,2,0,0,0,0|1,0,1]=4 6445 B16R1.3677 Cc1ccccc1C[C@@H](CO)NCCC#N 1ddd9652190231af442a6017444793ff [0,2,0,0,0,0|0,0,0]=2 6446 B16R1.3677 Cc1ccccc1C[C@@H](CO)NCCC=O d29f241a002adb2cce5ed2f5912b68f4 [0,2,0,0,0,0|1,0,1]=4 6447 B16R1.3677 Cc1ccccc1C[C@@H](CO)NCCCF 67fb1f9c59a2c7fb344c1c845d98f4f2 [0,2,0,0,0,0|1,0,1]=4 6448 B16R1.3677 Cc1ccccc1C[C@@H](CO)NCCCO b26b028ba5f49a67655e765f34914fb8 [0,2,0,0,0,0|1,0,1]=4 6449 B16R1.3677 Cc1ccccc1C[C@@H](CO)NCCCS c3bd1db0c14b4968f506c4b7c995a9d7 [0,2,0,0,0,0|1,0,1]=4 6450 B16R1.3677 N#CCCNC(CO)Cc1ccccc1Br 75af8cbaa533ab1d1d9edba227936d15 [0,2,0,0,0,0|0,0,0]=2 6451 B16R1.3677 N#CCCNC(CO)Cc1ccccc1Cl f884501bbca23e5fc4f12d0341a8b038 [0,2,0,0,0,0|0,0,0]=2 6452 B16R1.3677 N#CCCNC(CO)Cc1ccccc1F 1b04b86ea352b83421b4535d6f967659 [0,2,0,0,0,0|0,0,0]=2 6453 B16R1.3677 N#CCCN[C@H](CO)Cc1ccccc1Cl 735947fd65b5ff55a7caab6b1bcdc682 [0,2,0,0,0,0|0,0,0]=2 6454 B16R1.3677 N#CCCN[C@H](CO)Cc1ccccc1F 6461c5f716d488a418cf827ec49414af [0,2,0,0,0,0|0,0,0]=2 6455 B16R1.3677 O=CCCNC(CO)Cc1ccccc1Br 5653bdd95b455f05f740dc5b83e58895 [0,2,0,0,0,0|1,0,1]=4 6456 B16R1.3677 O=CCCNC(CO)Cc1ccccc1Cl 7708f872ae6341aeb362bc8e005fc146 [0,2,0,0,0,0|1,0,1]=4 6457 B16R1.3677 O=CCCNC(CO)Cc1ccccc1F 91dfa1ab9c80c567c12ebc0f88021cc6 [0,2,0,0,0,0|1,0,1]=4 6458 B16R1.3677 O=CCCN[C@H](CO)Cc1ccccc1Cl 8148155da46761896c6c317bf5dcfd00 [0,2,0,0,0,0|1,0,1]=4 6459 B16R1.3677 O=CCCN[C@H](CO)Cc1ccccc1F 0d8d7408049e3c24a7a105f5a962abdc [0,2,0,0,0,0|1,0,1]=4 6460 B16R1.3677 OCC(Cc1ccccc1Cl)NCCCF c7b1e620207b21e7f9946d0d5d6a0805 [0,2,0,0,0,0|1,0,1]=4 6461 B16R1.3677 OCC(Cc1ccccc1Cl)NCCCS d8aa39619d0d2f4d1504d3a12cab17f4 [0,2,0,0,0,0|1,0,1]=4 6462 B16R1.3677 OCC(Cc1ccccc1F)NCCCF 35d525ce5658b285cde29c7515013720 [0,2,0,0,0,0|1,0,1]=4 6463 B16R1.3677 OCC(Cc1ccccc1F)NCCCS 711f662faef0ce2b9c59bf3a4391904e [0,2,0,0,0,0|1,0,1]=4 6464 B16R1.3677 OCCCNC(CO)Cc1ccccc1Br 7145399a29fe82157115e9c6ba5a424e [0,2,0,0,0,0|1,0,1]=4 6465 B16R1.3677 OCCCNC(CO)Cc1ccccc1Cl 40cf24cf51c3474480179e572cbd6e90 [0,2,0,0,0,0|1,0,1]=4 6466 B16R1.3677 OCCCNC(CO)Cc1ccccc1F d84ca6703a520c6399b9b1cb4fbbb2e6 [0,2,0,0,0,0|1,0,1]=4 6467 B16R1.3677 OCCCN[C@H](CO)Cc1ccccc1Cl 8bfd8242e70dbe6043e53b3867eab0d5 [0,2,0,0,0,0|1,0,1]=4 6468 B16R1.3677 OCCCN[C@H](CO)Cc1ccccc1F 4a64c1206bec17cd2c4dea50ebcd51ad [0,2,0,0,0,0|1,0,1]=4 6469 B16R1.3677 OC[C@H](Cc1ccccc1Cl)NCCCF 86b591b5d240dd74485d9113ad567951 [0,2,0,0,0,0|1,0,1]=4 6470 B16R1.3677 OC[C@H](Cc1ccccc1Cl)NCCCS b557af39ed7a4cee9c8da108ad9d4787 [0,2,0,0,0,0|1,0,1]=4 6471 B16R1.3677 OC[C@H](Cc1ccccc1F)NCCCF 5e56f7b7f48306afbc18dfdaf38064e5 [0,2,0,0,0,0|1,0,1]=4 6472 B16R1.3677 OC[C@H](Cc1ccccc1F)NCCCS ed3dd02704bed7fa0ee314b2311898da [0,2,0,0,0,0|1,0,1]=4 6473 B16R1.59031 CC(Cc1ccccc1)NCCC(C)(C)F 51ed1ed2f3d4e99462eb71df13bd9502 [0,2,0,0,0,0|1,0,1]=4 6474 B16R1.59031 CC(Cc1ccccc1)NCCC(F)(F)F ac4ab7ca817aa8ae87755b4162085711 [0,2,0,0,0,0|1,0,1]=4 6475 B16R1.59031 CC(Cc1ccccc1)NCCS(=O)(=O)C 1ef3672a227c4035ab549ce299acc1a9 [0,2,0,0,0,0|2,0,0]=4 6476 B16R1.4818 C#CCCNC(C)(C)Cc1ccccc1F c030af1e9f771338d193534dc614dd94 [0,2,0,0,0,0|1,0,0]=3 6477 B16R1.4818 C=CCCNC(C)(C)Cc1ccccc1Br 2c998a249a731a307bde4370a123c42d [0,2,0,0,0,0|1,0,1]=4 6478 B16R1.4818 C=CCCNC(C)(C)Cc1ccccc1F 73aef86b4839069f89479590fb0f4b7b [0,2,0,0,0,0|1,0,1]=4 6479 B16R1.4818 CC(C)(Cc1ccccc1Br)NCCC=O a1795071675e78f9cd71b191bd7a647b [0,2,0,0,0,0|1,0,1]=4 6480 B16R1.4818 CC(C)(Cc1ccccc1F)NCCC#N 69405d71506471ea89b15e1e0fdbde15 [0,2,0,0,0,0|0,0,0]=2 6481 B16R1.4818 CC(C)(Cc1ccccc1F)NCCC=O fe04f0c69bbcc49f40e9ca6f214b1e57 [0,2,0,0,0,0|1,0,1]=4 6482 B16R1.4818 CC(C)(Cc1ccccc1F)NCCCF 377421461e435e668b13a89476a56d2e [0,2,0,0,0,0|1,0,1]=4 6483 B16R1.4818 CCCCNC(C)(C)Cc1ccccc1F 2c32b4518a8322540345883d0726608e [0,2,0,0,0,0|1,0,1]=4 6484 B16R1.4818 COCCNC(C)(C)Cc1ccccc1Br fc45f09572deed8b37a2d4fdd1911cbe [0,2,0,0,0,0|2,0,0]=4 6485 B16R1.4818 COCCNC(C)(C)Cc1ccccc1F d981d8e74bd80b24499862171f98fb5b [0,2,0,0,0,0|2,0,0]=4 6486 B16R1.4818 CSCCNC(C)(C)Cc1ccccc1F e924fe9d1896037d8e712d3278192bf1 [0,2,0,0,0,0|2,0,0]=4 6487 B16R1.7391 C#CCCN[C@@H](C)Cc1ccccc1OC 8888897ef4e97fbae6d09369ccffab6f [0,2,0,0,0,0|1,0,0]=3 6488 B16R1.7391 C#CCCOC(C)Cc1ccccc1OC 22c799c813a500e4254b87bd4151cf34 [0,2,0,0,0,0|2,0,0]=4 6489 B16R1.7391 C#Cc1ccccc1CC(=O)NCCC#N 796754271116e1473ae1a0e5901ebf6a [0,2,0,0,0,0|1,0,1]=4 6490 B16R1.7391 C=CCCN[C@@H](C)Cc1ccccc1OC 676d0eaeffa4ca00a7c7d378a7336a4a [0,2,0,0,0,0|1,0,1]=4 6491 B16R1.7391 CCCCN[C@@H](C)Cc1ccccc1OC 83d91860ba64a0bfcd81493f67128d44 [0,2,0,0,0,0|1,0,1]=4 6492 B16R1.7391 CCc1ccccc1CC(=O)NCCC#N 0b0a163f6dad88a6c29accc471e72ae4 [0,2,0,0,0,0|1,0,1]=4 6493 B16R1.7391 CN(CCCC#N)Cc1ccccc1C#N 7b8fa34f4e757fc2ffe0d5646a79cfde [0,2,0,0,0,0|2,0,0]=4 6494 B16R1.7391 CN(CCCC#N)Cc1ccccc1CO 16b86fe46013c9595d8eaaab34af962c [0,2,0,0,0,0|2,0,0]=4 6495 B16R1.7391 COCCN[C@@H](C)Cc1ccccc1OC 9696ccd6cfd543df74c4639c01fb3481 [0,2,0,0,0,0|2,0,0]=4 6496 B16R1.7391 COc1ccccc1CC(=O)NCCC#N fbf9141563d52c0f2cb3b3038224865b [0,2,0,0,0,0|1,0,1]=4 6497 B16R1.7391 COc1ccccc1CC(C)OCCC#N 242dc825829684a5ae79bb3c086bc3ac [0,2,0,0,0,0|1,0,0]=3 6498 B16R1.7391 COc1ccccc1CC(C)OCSC#N 4c11121e2a6364e41b4e919c1d31479c [0,2,0,0,0,0|2,0,0]=4 6499 B16R1.7391 COc1ccccc1CN(C)CCCC#N accc6de4d219a58333e27fc2e77a7968 [0,2,0,0,0,0|2,0,0]=4 6500 B16R1.7391 COc1ccccc1C[C@H](C)NCCC#N ecb8020858126102e3794e07200318a5 [0,2,0,0,0,0|0,0,0]=2 6501 B16R1.7391 COc1ccccc1C[C@H](C)NCCC=O e1160a8259a8477143f3c41baf9da12b [0,2,0,0,0,0|1,0,1]=4 6502 B16R1.7391 COc1ccccc1C[C@H](C)NCCCF e2ae693279277e970237dee252cd9256 [0,2,0,0,0,0|1,0,1]=4 6503 B16R1.7391 COc1ccccc1C[C@H](C)NCCCO 9bb3a3f1cd689ea33f321656d4c4a61c [0,2,0,0,0,0|1,0,1]=4 6504 B16R1.7391 COc1ccccc1C[C@H](C)NCCCS 47f1acb9f51f7bbd70c63aa7aa6b6bab [0,2,0,0,0,0|1,0,1]=4 6505 B16R1.7391 COc1ccccc1C[C@H](C)NCCSC b68554853a67eb006d5d5ebd13e2f343 [0,2,0,0,0,0|2,0,0]=4 6506 B16R1.7391 N#CCCNC(=O)Cc1ccccc1C#N 0ccc75581c549c41d9ba5574c9fc2a20 [0,2,0,0,0,0|1,0,1]=4 6507 B16R1.7391 N#CCCNC(=O)Cc1ccccc1C=O 1e125426fff80f66847f5d40b1350245 [0,2,0,0,0,0|1,0,1]=4 6508 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Br)F f69ac08632a8e783aeb284c8f16dc97c [0,2,0,0,0,0|2,0,0]=4 6509 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Cl)Cl 83cd05cb50552731115371ad12c5351f [0,2,0,0,0,0|2,0,0]=4 6510 B16R1.22096 CN(CCCC#N)Cc1c(cccc1Cl)F 387d808c1411b2961972737edf23834a [0,2,0,0,0,0|2,0,0]=4 6511 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)Br 52c7b0d33ff63ce2cc1486b15205eb2b [0,2,0,0,0,0|1,0,1]=4 6512 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)C d9e37649a8af1e95c7211019f2be1d80 [0,2,0,0,0,0|1,0,1]=4 6513 B16R1.22096 Cc1cccc(c1CC(=O)NCCC#N)F 3a005ee7a3e2f399f10f940d2d2b3836 [0,2,0,0,0,0|1,0,1]=4 6514 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Br decce6637eea724352fa6ed6c970adfc [0,2,0,0,0,0|1,0,1]=4 6515 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)Cl 86fa2e9b8ec4504678d02794a2d4d5bd [0,2,0,0,0,0|1,0,1]=4 6516 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)F c56040d4582d1084ea41ebf02e3a5fc7 [0,2,0,0,0,0|1,0,1]=4 6517 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)O c25cf90018f91bc5ebcd17a4e2140c26 [0,2,0,0,0,0|1,0,1]=4 6518 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl d1695bafd5ce043f6590a369c38c4aba [0,2,0,0,0,0|1,0,1]=4 6519 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)F 81381e8de6288bb7c360c7734dd74971 [0,2,0,0,0,0|1,0,1]=4 6520 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F 894f5c06a515091dd64ef2a46a5a88a8 [0,2,0,0,0,0|1,0,1]=4 6521 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1I)Cl 7729eb30df63071305c81718553ebe52 [0,2,0,0,0,0|1,0,1]=4 6522 B14R1.86 CC(CCc1ccco1)NCCC#N e846f5f64a38e4709b02e72cc1415d2d [0,0,1,1,0,0|1,0,1]=4 6523 B14R2.3 C#CCCN1CCc2c1cccc2 604f6fc787cdaf8d3c31dfa6989b959a [1,0,0,1,0,0|1,0,0]=3 6524 B14R2.3 C#CCCN1CCc2c1cccn2 a75fb59f1fdd44a3ebb29f4ea1de00f3 [1,0,0,1,0,0|2,0,0]=4 6525 B14R2.3 C#CCCN1CCc2c1ccnc2 7255ade32cf68d3fc0285a9e962aaf25 [1,0,0,1,0,0|2,0,0]=4 6526 B14R2.3 C#CCCN1CCc2c1cncc2 213aeced89a4b93569c530194e8b0ee7 [1,0,0,1,0,0|2,0,0]=4 6527 B14R2.3 C#CCCN1CCc2c1nccc2 4da0d70a516d066cd6f613e4419b8a65 [1,0,0,1,0,0|2,0,0]=4 6528 B14R2.3 C=CCCN1CCc2c1cccc2 5990c2cb91cc1e2451365f0372438d49 [1,0,0,1,0,0|1,0,1]=4 6529 B14R2.3 COCCN1CCc2c1cccc2 585406c004eef19f9cc48360f934a903 [1,0,0,1,0,0|2,0,0]=4 6530 B14R2.3 CSCCN1CCc2c1cccc2 71e7648b91c86c1a40c2480e0080a6bc [1,0,0,1,0,0|2,0,0]=4 6531 B14R2.3 N#CCCN1CCc2c1cccc2 dfd8ed8363798bc97c861ff0e5cc7bc2 [1,0,0,1,0,0|0,0,0]=2 6532 B14R2.3 N#CCCN1CCc2c1cccn2 72a111feb84afbb0ce33710f0d731fb3 [1,0,0,1,0,0|1,0,0]=3 6533 B14R2.3 N#CCCN1CCc2c1ccnc2 7c5a3e28508a136bf511a2f6e9e6fa61 [1,0,0,1,0,0|1,0,0]=3 6534 B14R2.3 N#CCCN1CCc2c1cncc2 3f68b7e68d9be5b147c2dbe929f18e36 [1,0,0,1,0,0|1,0,0]=3 6535 B14R2.3 N#CCCN1CCc2c1nccc2 1182fbf6c781c29424fb1fc90054936d [1,0,0,1,0,0|1,0,0]=3 6536 B14R2.3 N#CCCN1CCc2c1nccn2 301738c263e222e6f3b722bc2b39499e [1,0,0,1,0,0|2,0,0]=4 6537 B14R2.3 N#CCCN1CCc2c1ncnc2 d1593837b4c5ea3aee16088e4559297d [1,0,0,1,0,0|2,0,0]=4 6538 B14R2.3 N#CCNC1CCc2c1cccc2 6cc0b3cf421b849ceb77328afdb82638 [1,0,0,1,0,0|2,0,0]=4 6539 B14R2.3 N#CCN[C@@H]1CCc2c1cccc2 e562163640a6f8c39f0ce57e68c15bc3 [1,0,0,1,0,0|2,0,0]=4 6540 B14R2.3 N#CCN[C@H]1CCc2c1cccc2 b276a0281bcd442f6eb1a54fd76b86ce [1,0,0,1,0,0|2,0,0]=4 6541 B14R2.3 N#CCOC1CCc2c1cccc2 e9d07fa42f9252893a91f03c112c2067 [1,0,0,1,0,0|2,0,0]=4 6542 B14R2.3 N#CCO[C@@H]1CCc2c1cccc2 b792e1c150bba17c9d9e48aac2874b86 [1,0,0,1,0,0|2,0,0]=4 6543 B14R2.3 N#CCO[C@H]1CCc2c1cccc2 f8b861516af9ab8fce2d8e3135f33145 [1,0,0,1,0,0|2,0,0]=4 6544 B14R2.3 N#CSCN1CCc2c1nccc2 bac5049ac1cdc143c5d995ed4f6a1507 [1,0,0,1,0,0|2,0,0]=4 6545 B14R2.3 O=CCCN1CCc2c1cccc2 4733180b63b4cb43a4677e8b1c004aae [1,0,0,1,0,0|1,0,1]=4 6546 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 ebc392e17bf0478a4c85a27abe79b120 [1,0,0,1,0,0|2,0,0]=4 6547 B14R2.35 N#CCN1CCC1c2ccccc2 2d5c61ca98ef342afc8347c75f8806f0 [1,0,0,1,0,0|2,0,0]=4 6548 B14R2.49 CC1CC1NCCc2ccccc2 686d274d83f1509ad53850556f712805 [1,0,0,1,0,0|1,0,1]=4 6549 B14R2.49 F[C@@H]1C[C@@H]1NCCc2ccccc2 205f17ad4f4f9adaba83ba862c94136c [1,0,0,1,0,0|1,0,1]=4 6550 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 293701d3e2f2a4f21647fa98e9f6d65c [1,0,0,1,0,0|1,0,1]=4 6551 B14R2.49 F[C@H]1C[C@@H]1NCCc2ccccc2 3eb26f0b32b8db3c87fbce3680b57c65 [1,0,0,1,0,0|1,0,1]=4 6552 B14R2.66 C#CCCN1CC1c2ccccc2 f2341c82b2958169c8a271d16e217eed [1,0,0,1,0,0|1,0,0]=3 6553 B14R2.66 C#CCCN1C[C@@H]1c2ccccc2 92cbe399184a02df3f0a24b84b8a86fb [1,0,0,1,0,0|1,0,0]=3 6554 B14R2.66 C=CCCN1CC1c2ccccc2 ad229a804a7e1d8af8a5da1fd0b81271 [1,0,0,1,0,0|1,0,1]=4 6555 B14R2.66 C=CCCN1C[C@@H]1c2ccccc2 548b43f1ff1601f3cc445d238ea5d69a [1,0,0,1,0,0|1,0,1]=4 6556 B14R2.66 CCCCN1CC1c2ccccc2 e13e9c8f7b6ec4d62e096e5df1d0ea81 [1,0,0,1,0,0|1,0,1]=4 6557 B14R2.66 CCCCN1C[C@@H]1c2ccccc2 029423336474a97daf1e15c3136f76fb [1,0,0,1,0,0|1,0,1]=4 6558 B14R2.66 COCCN1CC1c2ccccc2 9bcfd8092b99ea5fb6b17442bd832424 [1,0,0,1,0,0|2,0,0]=4 6559 B14R2.66 COCCN1C[C@@H]1c2ccccc2 4de89ac6c97d2e70cdb6263fc9fde1ea [1,0,0,1,0,0|2,0,0]=4 6560 B14R2.66 CSCCN1CC1c2ccccc2 21a6285384ca42762ce7a36d5fd52082 [1,0,0,1,0,0|2,0,0]=4 6561 B14R2.66 CSCCN1C[C@@H]1c2ccccc2 ec7768bce037d7eff33bfc9689e8621f [1,0,0,1,0,0|2,0,0]=4 6562 B14R2.66 FCCCN1CC1c2ccccc2 a0e9250bfc09c173f2a65686b965567d [1,0,0,1,0,0|1,0,1]=4 6563 B14R2.66 FCCCN1C[C@@H]1c2ccccc2 cba50e28aff0dde22c55ba37fd3554e2 [1,0,0,1,0,0|1,0,1]=4 6564 B14R2.66 N#CCCN1CC1c2ccccc2 a4b1ff5aa32a78cf3ce695ccccb7f68b [1,0,0,1,0,0|0,0,0]=2 6565 B14R2.66 N#CCCN1C[C@@H]1c2ccccc2 961cd0cc9ca6b7b468400bed014f81f8 [1,0,0,1,0,0|0,0,0]=2 6566 B14R2.66 N#CCNC1CC1c2ccccc2 402d7a8b81f37ef087b238084f00fa96 [1,0,0,1,0,0|2,0,0]=4 6567 B14R2.66 N#CCN[C@@H]1C[C@H]1c2ccccc2 ec88faa6003a0765fdb9db1d3610ee36 [1,0,0,1,0,0|2,0,0]=4 6568 B14R2.66 N#CCN[C@H]1C[C@@H]1c2ccccc2 2810b2a09b7646289a7805eb003317b0 [1,0,0,1,0,0|2,0,0]=4 6569 B14R2.66 N#CCOC1CC1c2ccccc2 d01433ba98747c1e4a8c8200a8ff798e [1,0,0,1,0,0|2,0,0]=4 6570 B14R2.66 N#CCO[C@@H]1C[C@H]1c2ccccc2 15afea3d13d9500ca80fe5945ec0d294 [1,0,0,1,0,0|2,0,0]=4 6571 B14R2.66 O=CCCN1CC1c2ccccc2 fea8ab7503b3ff5909dd487a1c3738f7 [1,0,0,1,0,0|1,0,1]=4 6572 B14R2.66 O=CCCN1C[C@@H]1c2ccccc2 ab2994f252a800eed6c7a72beb85dbcf [1,0,0,1,0,0|1,0,1]=4 6573 B14R2.66 OCCCN1CC1c2ccccc2 905cba5db5e9aeca3749c667db2798b0 [1,0,0,1,0,0|1,0,1]=4 6574 B14R2.66 OCCCN1C[C@@H]1c2ccccc2 7cc24ecaf384ac60c59ae9a4c222aac4 [1,0,0,1,0,0|1,0,1]=4 6575 B14R2.66 SCCCN1CC1c2ccccc2 c272ea2c181dfc309c006b1c094ad699 [1,0,0,1,0,0|1,0,1]=4 6576 B14R2.66 SCCCN1C[C@@H]1c2ccccc2 02ba62ca77566259692c383d87b2a29a [1,0,0,1,0,0|1,0,1]=4 6577 B14R2.101 c1ccc(cc1)CCN2CCSC2 2630cb61a487ede3a130c32d2a11f610 [1,0,0,1,0,0|2,0,0]=4 6578 B14R2.3018 c1ccc(cc1)CCNCC2CC2 be4b5b545f67f969706d70b8aee297b2 [1,0,0,1,0,0|1,0,1]=4 6579 B14R2.3019 c1ccc(cc1)CCNC2CCC2 ac1cf2b2c41fd431e171950f9c79ad82 [1,0,0,1,0,0|1,0,1]=4 6580 B14R2.3019 c1ccc(cc1)CCNC2COC2 494274c85e2a7a368af0137e4e40eb87 [1,0,0,1,0,0|2,0,0]=4 6581 B14R2.16538 C#CCCOC1Cc2c1cccc2 0f31860ad9a55eda1560f05fe05406cb [1,0,0,1,0,0|2,0,0]=4 6582 B14R2.16538 C=CCCNC1Cc2c1cccc2 f6e3caf4e32637e7675fea51234de052 [1,0,0,1,0,0|1,0,1]=4 6583 B14R2.16538 N#CCCOC1Cc2c1cccc2 311e0fc7fa045e87a0905e62a867f327 [1,0,0,1,0,0|1,0,0]=3 6584 B14R2.16538 N#CCNCC1Cc2c1cccc2 fe686d652f1ba3f7045a4103ceeb1d6d [1,0,0,1,0,0|2,0,0]=4 6585 B14R2.16538 N#CCOCC1Cc2c1cccc2 05cd01973b9aded06d9e1d5705b37769 [1,0,0,1,0,0|2,0,0]=4 6586 B14R2.16538 N#CSCOC1Cc2c1cccc2 acc9723958258d0826d54f3f9b95be1c [1,0,0,1,0,0|2,0,0]=4 6587 B14R2.16538 OCCCNC1Cc2c1cccc2 51c35a649a9716aba3015b3c7e3a5f9f [1,0,0,1,0,0|1,0,1]=4 6588 B14R2.39 C#CCN1C(C1c2ccccc2)C d78649972d36b52eb869b5ea916ee628 [1,0,0,1,0,0|0,0,1]=3 6589 B14R2.39 C#CCN1[C@@H]([C@@H]1c2ccccc2)C 2f2eacf4f237b303b639730ed1892aa5 [1,0,0,1,0,0|0,0,1]=3 6590 B14R2.39 C=CCN1C(C1c2ccccc2)C 4a229f9e4484f1e663363d4c649c40aa [1,0,0,1,0,0|0,0,2]=4 6591 B14R2.39 C=CCN1[C@@H]([C@@H]1c2ccccc2)C 0b8851d4dae14aeb8ee069021bb29ca5 [1,0,0,1,0,0|0,0,2]=4 6592 B14R2.39 CC1C(N1CC#N)c2ccccc2 f7c400b04c4de5ddc4d17583f9300913 [1,0,0,1,0,0|0,0,0]=2 6593 B14R2.39 CC1C(N1CC=O)c2ccccc2 163499e40915c7d46021f3a160a00315 [1,0,0,1,0,0|1,0,1]=4 6594 B14R2.39 CC1C(N1CCF)c2ccccc2 3f7280ce4d879015ac5637a82afee230 [1,0,0,1,0,0|1,0,0]=3 6595 B14R2.39 CC1C(N1CCO)c2ccccc2 bd868bb57c8d54ede280ab7282e29553 [1,0,0,1,0,0|1,0,0]=3 6596 B14R2.39 CC1C(N1CCS)c2ccccc2 c16cd87723a064b94d49ce1f742624ec [1,0,0,1,0,0|1,0,0]=3 6597 B14R2.39 CCCN1C(C1c2ccccc2)C 4dcec3b181f800e43f281523e76b0bb2 [1,0,0,1,0,0|0,0,1]=3 6598 B14R2.39 CCCN1[C@@H]([C@@H]1c2ccccc2)C 9f098a5c1f548944ce0f82dec604ad70 [1,0,0,1,0,0|0,0,1]=3 6599 B14R2.39 COCN1C(C1c2ccccc2)C d01096f282caf9730948f73b479b35b1 [1,0,0,1,0,0|1,0,1]=4 6600 B14R2.39 COCN1[C@@H]([C@@H]1c2ccccc2)C 16545974ba2aaee054b4e97248fdad81 [1,0,0,1,0,0|1,0,1]=4 6601 B14R2.39 CSCN1C(C1c2ccccc2)C 265424e8fb2c836f23178f159c1d097a [1,0,0,1,0,0|1,0,1]=4 6602 B14R2.39 CSCN1[C@@H]([C@@H]1c2ccccc2)C ccebca0372db0ba6465a27ed7186b3b3 [1,0,0,1,0,0|1,0,1]=4 6603 B14R2.39 C[C@@H]1[C@@H](N1CC#N)c2ccccc2 da966aeba0d00c9f53e30ddb2f35d8b3 [1,0,0,1,0,0|0,0,0]=2 6604 B14R2.39 C[C@@H]1[C@@H](N1CC=O)c2ccccc2 1565d673b8797c50c8140e61b987b635 [1,0,0,1,0,0|1,0,1]=4 6605 B14R2.39 C[C@@H]1[C@@H](N1CCF)c2ccccc2 747df96406e758574117627f00cc1034 [1,0,0,1,0,0|1,0,0]=3 6606 B14R2.39 C[C@@H]1[C@@H](N1CCO)c2ccccc2 57e60f40b85baa15c5436e56678c83e7 [1,0,0,1,0,0|1,0,0]=3 6607 B14R2.39 C[C@@H]1[C@@H](N1CCS)c2ccccc2 c24f3b2450cac012d21229baaf43e6e9 [1,0,0,1,0,0|1,0,0]=3 6608 B14R2.67 C#CCCN1Cc2ccccc2C1 f70ba2d76af1653747899e3df85a5a21 [1,0,0,1,0,0|2,0,0]=4 6609 B14R2.67 C#CCNC1Cc2cccnc2C1 e3a2c3372d1d59a4bbc16adcb5babe1f [1,0,0,1,0,0|1,0,1]=4 6610 B14R2.67 C#CCNC1Cc2ccncc2C1 2e8430c544852c1a236e6da608683ccb [1,0,0,1,0,0|1,0,1]=4 6611 B14R2.67 C#CCOC1Cc2ccccc2C1 c2d1966e64493a35fe2aefa4c6349516 [1,0,0,1,0,0|1,0,1]=4 6612 B14R2.67 CCCNC1Cc2cccnc2C1 3f5ff1cea46b9bab7abc3db4cf50d47b [1,0,0,1,0,0|1,0,1]=4 6613 B14R2.67 CCCNC1Cc2ccncc2C1 a3e3d3008f49d40a4a88177b17de5870 [1,0,0,1,0,0|1,0,1]=4 6614 B14R2.67 CCCOC1Cc2ccccc2C1 d5a58ce47e49ab2122bcc0dfdd4b87ba [1,0,0,1,0,0|1,0,1]=4 6615 B14R2.67 FCCNC1Cc2ccccc2C1 d68c3ee64a3e0904d72d697128958c10 [1,0,0,1,0,0|1,0,0]=3 6616 B14R2.67 FCCNC1Cc2cccnc2C1 9182cd5f84698d6aa6a1798bd588b6f9 [1,0,0,1,0,0|2,0,0]=4 6617 B14R2.67 FCCNC1Cc2ccncc2C1 0c4adde411266e7239b05fdcb1478b98 [1,0,0,1,0,0|2,0,0]=4 6618 B14R2.67 FCCOC1Cc2ccccc2C1 073854d76843b7120c4aefe863c85ff5 [1,0,0,1,0,0|2,0,0]=4 6619 B14R2.67 N#CCCN1Cc2ccccc2C1 9ead9899885f9b1b3a0b01178c7b940f [1,0,0,1,0,0|1,0,0]=3 6620 B14R2.67 N#CCCN1Cc2cccnc2C1 18e0a23a42036aaade51e8f2204cbe93 [1,0,0,1,0,0|2,0,0]=4 6621 B14R2.67 N#CCCN1Cc2ccncc2C1 7b816c3c39d0b1533953524e9e884ee1 [1,0,0,1,0,0|2,0,0]=4 6622 B14R2.67 N#CCNC1Cc2cccnc2C1 562b0de8f21021e2e69af192e54aaa95 [1,0,0,1,0,0|1,0,0]=3 6623 B14R2.67 N#CCNC1Cc2ccncc2C1 08dbe4dd82d60764640b10c7ad4e82fd [1,0,0,1,0,0|1,0,0]=3 6624 B14R2.67 N#CCOC1Cc2ccccc2C1 e63686915667ddc36d4259deb6089d2e [1,0,0,1,0,0|1,0,0]=3 6625 B14R2.67 N#CCOC1Cc2cccnc2C1 0d3a5d2289eb01f6057208ed657c91ec [1,0,0,1,0,0|2,0,0]=4 6626 B14R2.67 N#CNCC1Cc2ccccc2C1 d8158ae3e9b5e9581517dd93f1f674ef [1,0,0,1,0,0|1,0,0]=3 6627 B14R2.67 N#CSCN1Cc2ccccc2C1 ae3b226d02a87583f9cef9a2000ba861 [1,0,0,1,0,0|2,0,0]=4 6628 B14R2.67 OCCNC1Cc2ccccc2C1 ce4950509955a53c6169040d62a8dfa5 [1,0,0,1,0,0|1,0,0]=3 6629 B14R2.67 OCCNC1Cc2cccnc2C1 3ac9c1f46652eb8c3cde7136a01ac579 [1,0,0,1,0,0|2,0,0]=4 6630 B14R2.67 OCCNC1Cc2ccncc2C1 c565f696ed43840e30a89d9e6bcc9ed3 [1,0,0,1,0,0|2,0,0]=4 6631 B14R2.67 SCCNC1Cc2cccnc2C1 f6db63baea61111781b660314f34ec64 [1,0,0,1,0,0|2,0,0]=4 6632 B14R2.67 SCCNC1Cc2ccncc2C1 593605cb9e1b4c1c9d161419e2ac2b64 [1,0,0,1,0,0|2,0,0]=4 6633 B14R2.67 SCCOC1Cc2ccccc2C1 d8d51c947fb56761120cecb6336ee582 [1,0,0,1,0,0|2,0,0]=4 6634 B14R2.90 N#CC1CC(C1)Nc2ccncc2 e60b46b8562e4b77e43f876e3ae638e0 [1,0,0,1,0,0|2,0,0]=4 6635 B14R2.90 N#CC1CC(C1)Oc2ccccn2 e1b0ad1f9ed82fa854d8da3e20a2fdb8 [1,0,0,1,0,0|2,0,0]=4 6636 B14R2.90 N#CC1CN(C1)Cc2ccccc2 225f10490ae5715692ee3a92719b12cb [1,0,0,1,0,0|1,0,0]=3 6637 B14R2.90 N#CC1CN(C1)Cc2ccccn2 8c96a923ad821d0b663cb8ba251cede8 [1,0,0,1,0,0|2,0,0]=4 6638 B14R2.90 N#CC1CN(C1)Cc2cccnc2 f909f2ac64ab1e4af5b19a3b38bec676 [1,0,0,1,0,0|2,0,0]=4 6639 B14R2.517 C#CCN1c2ncccc2CC1C c81bfff429d348b26b56fc43cdcb688e [1,0,0,1,0,0|1,0,1]=4 6640 B14R2.517 C=CCN1c2ccccc2CC1C 68fb8509f09f84dad9acca3541949a55 [1,0,0,1,0,0|0,0,2]=4 6641 B14R2.517 C=CCN1c2ccccc2C[C@@H]1C 847dd877c56eb0bde99c94b08af7dccb [1,0,0,1,0,0|0,0,2]=4 6642 B14R2.517 C=CCN1c2ccccc2C[C@H]1C a450668e607e4b21bd8c1a9c7504932c [1,0,0,1,0,0|0,0,2]=4 6643 B14R2.517 CC1Cc2ccccc2N1CC#N 386087f82c803bf46a70f1daeec739fe [1,0,0,1,0,0|0,0,0]=2 6644 B14R2.517 CC1Cc2ccccc2N1CC=O b5119a20a274992a2f30af5a1814033d [1,0,0,1,0,0|1,0,1]=4 6645 B14R2.517 CC1Cc2ccccc2N1CCF 7259991a9716259499edfae47ad73fed [1,0,0,1,0,0|1,0,0]=3 6646 B14R2.517 CC1Cc2ccccc2N1CCO bda25589eb032d2cfad03240a182492e [1,0,0,1,0,0|1,0,0]=3 6647 B14R2.517 CC1Cc2ccccc2N1CCS 653e4ce39a029b24f7f81c43331df736 [1,0,0,1,0,0|1,0,0]=3 6648 B14R2.517 CC1Cc2cccnc2N1CC#N b141e6060a1c36866b44bfa996f8dde0 [1,0,0,1,0,0|1,0,0]=3 6649 B14R2.517 CC1Cc2cccnc2N1CCF b87966911724f7f351bfaddc32e790ed [1,0,0,1,0,0|2,0,0]=4 6650 B14R2.517 CC1Cc2cccnc2N1CCO e0cf9064bdc2ca8ff69fb6de4cd27512 [1,0,0,1,0,0|2,0,0]=4 6651 B14R2.517 CC1Cc2cccnc2N1CCS fabd6967d5c14c1f86ebc2e950230d3b [1,0,0,1,0,0|2,0,0]=4 6652 B14R2.517 CCCN1c2ccccc2CC1C 966c933bb1cdf1d755c116956f9658f2 [1,0,0,1,0,0|0,0,1]=3 6653 B14R2.517 CCCN1c2ccccc2C[C@@H]1C 884a5063d6e4883bea657ca6db09beb5 [1,0,0,1,0,0|0,0,1]=3 6654 B14R2.517 CCCN1c2ccccc2C[C@H]1C d882c2225d08121c2e9902fed6d77427 [1,0,0,1,0,0|0,0,1]=3 6655 B14R2.517 CCCN1c2ncccc2CC1C a00b91407db0c1cbc581256926ef0409 [1,0,0,1,0,0|1,0,1]=4 6656 B14R2.517 COCN1c2ccccc2CC1C 3264cd35654184f2cc7c0d0699c46953 [1,0,0,1,0,0|1,0,1]=4 6657 B14R2.517 COCN1c2ccccc2C[C@@H]1C 9ea131af82f3748a3bea4bba3bdd4467 [1,0,0,1,0,0|1,0,1]=4 6658 B14R2.517 COCN1c2ccccc2C[C@H]1C a192f330d773f4e3cfac298bb56baef5 [1,0,0,1,0,0|1,0,1]=4 6659 B14R2.517 CSCN1c2ccccc2CC1C 0ee96a69f5f9a71460ef1b23f2e0a7cc [1,0,0,1,0,0|1,0,1]=4 6660 B14R2.517 CSCN1c2ccccc2C[C@@H]1C 4eaa6db081c9d99f062873992bd094b6 [1,0,0,1,0,0|1,0,1]=4 6661 B14R2.517 CSCN1c2ccccc2C[C@H]1C c9da6f1d67ba991f516b80f9c6e4d978 [1,0,0,1,0,0|1,0,1]=4 6662 B14R2.517 C[C@@H]1Cc2ccccc2N1CC#N d785694bd67d36548320c5ce9995ddc0 [1,0,0,1,0,0|0,0,0]=2 6663 B14R2.517 C[C@@H]1Cc2ccccc2N1CC=O 78ef0f75d42c0fe0569029ef84d06dd9 [1,0,0,1,0,0|1,0,1]=4 6664 B14R2.517 C[C@@H]1Cc2ccccc2N1CCF b4f92f105a82c9fc4b3c52d3691421e6 [1,0,0,1,0,0|1,0,0]=3 6665 B14R2.517 C[C@@H]1Cc2ccccc2N1CCO 86e05767697537f1eca3b33217787baa [1,0,0,1,0,0|1,0,0]=3 6666 B14R2.517 C[C@@H]1Cc2ccccc2N1CCS 98b456bc26be288b0265a0ef5509dfee [1,0,0,1,0,0|1,0,0]=3 6667 B14R2.517 C[C@H]1Cc2ccccc2N1CC#N 625410e5ce3725980a7183eb87103286 [1,0,0,1,0,0|0,0,0]=2 6668 B14R2.517 C[C@H]1Cc2ccccc2N1CC=O e0415d2cb8bf0887b2072d2d4fa641b5 [1,0,0,1,0,0|1,0,1]=4 6669 B14R2.517 C[C@H]1Cc2ccccc2N1CCF 247def97670b13c54ea69e3167ffb03e [1,0,0,1,0,0|1,0,0]=3 6670 B14R2.517 C[C@H]1Cc2ccccc2N1CCO c9ee95bc4d48fc947657fb5aa339e384 [1,0,0,1,0,0|1,0,0]=3 6671 B14R2.517 C[C@H]1Cc2ccccc2N1CCS 67fcced966907229139f007d2de26a04 [1,0,0,1,0,0|1,0,0]=3 6672 B14R2.41 N#CCN1CC(C1)c2ccccc2 296117ca93b082cc2e7872e19fb77f2f [0,0,0,1,1,0|2,0,0]=4 6673 B14R2.114 CC(c1ccccc1)N2CCSC2 f06fab00ab9711bc498a021cdc0df97f [0,0,0,1,1,0|2,0,0]=4 6674 B14R2.114 C[C@@H](c1ccccc1)N2CCSC2 21d4bb1e708dabba588fda9d6659062b [0,0,0,1,1,0|2,0,0]=4 6675 B14R2.114 C[C@H](c1ccccc1)N2CCSC2 f05e98a166ec8434a222b5800f7230b4 [0,0,0,1,1,0|2,0,0]=4 6676 B14R2.510 CC1CN(c2c1cccc2)CC#N 0db952f285df9da66496e90835971d0e [0,0,0,1,1,0|2,0,0]=4 6677 B14R2.792 CC(NCC1CC1)c2ccccc2 f52dfce128ec7d77816c9baf8af87ba9 [0,0,0,1,1,0|1,0,1]=4 6678 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 380432f9031a7777d2e3bd196bcc4d31 [0,0,0,1,1,0|1,0,1]=4 6679 B14R2.792 C[C@H](NCC1CC1)c2ccccc2 d75ff72040eb052dd4841b744f1c6cf2 [0,0,0,1,1,0|1,0,1]=4 6680 B14R2.144 N#CCCNC1Cc2cn[nH]c2C1 54f751abcd6e6b2377a56dbe29be3fcc [0,0,0,1,1,0|2,0,0]=4 6681 B16R2.2238 CC(CCc1ccccc1)N2CCSC2 e67237e92c856f5c1c250b8314813afc [0,0,0,1,0,1|2,0,0]=4 6682 B16R2.2238 CC(CNc1ccccc1)N2CCCC2 42b8a0b09cbcd0c176d713632f7f7d3a [0,0,0,1,0,1|1,0,1]=4 6683 B16R2.2238 CC(COc1ccccc1)N2CCSC2 dbeec670940bc41b74dba322d25b9f89 [0,0,0,1,0,1|2,0,0]=4 6684 B16R2.2263 N#CCCCN1C[C@@H]1Cc2ccccc2 9617e17d6cda2f0e3345452b7a826fc5 [0,0,0,1,0,1|2,0,0]=4 6685 B16R2.2270 C#CCCNC1CC(C1)c2ccccc2 16092ac15620a0003a0b70f7a15d0933 [0,0,0,1,0,1|1,0,0]=3 6686 B16R2.2270 C#CCCNC1CN(C1)c2ccccc2 39bb4d8189828a8285cd1fd5ff638573 [0,0,0,1,0,1|1,0,0]=3 6687 B16R2.2270 C#CCCN[C@H]1C[C@@H](C1)c2ccccc2 d37a551c9bbbde0c74947c825c2c3bd8 [0,0,0,1,0,1|1,0,0]=3 6688 B16R2.2270 C#CCCN[C@H]1C[C@H](C1)c2ccccc2 414b9330c6d273318df09b9f2e86959f [0,0,0,1,0,1|1,0,0]=3 6689 B16R2.2270 C#CCCOC1CC(C1)c2ccccc2 4889824633ef8f7b47f6374ac1b6da41 [0,0,0,1,0,1|2,0,0]=4 6690 B16R2.2270 C#CCCOC1CN(C1)c2ccccc2 4df293f50f3d733f65ca7a15b662bde8 [0,0,0,1,0,1|2,0,0]=4 6691 B16R2.2270 C#CCCO[C@H]1C[C@@H](C1)c2ccccc2 561688216182c7d0fd6cff8d7eda2009 [0,0,0,1,0,1|2,0,0]=4 6692 B16R2.2270 C#CCCO[C@H]1C[C@H](C1)c2ccccc2 161253e7f8e67220cde0859d01059527 [0,0,0,1,0,1|2,0,0]=4 6693 B16R2.2270 C=CCCNC1CC(C1)c2ccccc2 a63708820cddd371f8e1af3227a35240 [0,0,0,1,0,1|1,0,1]=4 6694 B16R2.2270 C=CCCNC1CN(C1)c2ccccc2 ec75177f66a743e6fce627c624612c07 [0,0,0,1,0,1|1,0,1]=4 6695 B16R2.2270 C=CCCN[C@H]1C[C@@H](C1)c2ccccc2 6d0b78180ecb271e321c750e4bf8c083 [0,0,0,1,0,1|1,0,1]=4 6696 B16R2.2270 C=CCCN[C@H]1C[C@H](C1)c2ccccc2 4e44d326b9eb4f8d8f52434a3eb24140 [0,0,0,1,0,1|1,0,1]=4 6697 B16R2.2270 CC#CCNC1CC(C1)c2ccccc2 ed0c463134084cde227bf7c6471a83a0 [0,0,0,1,0,1|1,0,1]=4 6698 B16R2.2270 CC#CCN[C@H]1C[C@@H](C1)c2ccccc2 a77cba641b56710d28fb363be301164d [0,0,0,1,0,1|1,0,1]=4 6699 B16R2.2270 CC#CCN[C@H]1C[C@H](C1)c2ccccc2 06eb1c47bb657c57f828df3c79bd6546 [0,0,0,1,0,1|1,0,1]=4 6700 B16R2.2270 CCCCNC1CC(C1)c2ccccc2 d4d5c4fa21f5ed9796a70ccc27e4e581 [0,0,0,1,0,1|1,0,1]=4 6701 B16R2.2270 CCCCNC1CN(C1)c2ccccc2 72e5fa21b62e09ca47b69ed310c3fc02 [0,0,0,1,0,1|1,0,1]=4 6702 B16R2.2270 CCCCN[C@H]1C[C@@H](C1)c2ccccc2 582d36f068cbb1f36272b03fa9d18fc9 [0,0,0,1,0,1|1,0,1]=4 6703 B16R2.2270 CCCCN[C@H]1C[C@H](C1)c2ccccc2 7cbdcf983b1738c1f88e0a1ec8b6cc46 [0,0,0,1,0,1|1,0,1]=4 6704 B16R2.2270 COCCNC1CC(C1)c2ccccc2 c59a4f5e9998ca3a89f1143640244d6c [0,0,0,1,0,1|2,0,0]=4 6705 B16R2.2270 COCCNC1CN(C1)c2ccccc2 464e85041f38f67e35eac5308916d27d [0,0,0,1,0,1|2,0,0]=4 6706 B16R2.2270 COCCN[C@H]1C[C@@H](C1)c2ccccc2 7b9f6220cc192255ece0dc8e3b7ad3bb [0,0,0,1,0,1|2,0,0]=4 6707 B16R2.2270 COCCN[C@H]1C[C@H](C1)c2ccccc2 8af33803532e5d1d698f27592913e820 [0,0,0,1,0,1|2,0,0]=4 6708 B16R2.2270 CSCCNC1CC(C1)c2ccccc2 8aaf5e7f7899de545aca0a386c1fedd4 [0,0,0,1,0,1|2,0,0]=4 6709 B16R2.2270 CSCCNC1CN(C1)c2ccccc2 eb03c7f5b46875f6c450f04cd9a1fdbf [0,0,0,1,0,1|2,0,0]=4 6710 B16R2.2270 CSCCN[C@H]1C[C@@H](C1)c2ccccc2 0f6f42df5fee067f76864c61b55af2ca [0,0,0,1,0,1|2,0,0]=4 6711 B16R2.2270 CSCCN[C@H]1C[C@H](C1)c2ccccc2 824dfb9b1e1e2a5562ca33035ce5efc2 [0,0,0,1,0,1|2,0,0]=4 6712 B16R2.2270 FCCCNC1CC(C1)c2ccccc2 44660373018ef8b61d5d233808607423 [0,0,0,1,0,1|1,0,1]=4 6713 B16R2.2270 FCCCNC1CN(C1)c2ccccc2 b17d5ccb5a1811961b91dc2ff016977e [0,0,0,1,0,1|1,0,1]=4 6714 B16R2.2270 FCCCN[C@H]1C[C@@H](C1)c2ccccc2 0fb76dd0d3a111fe91ed75bf8ada9a8d [0,0,0,1,0,1|1,0,1]=4 6715 B16R2.2270 FCCCN[C@H]1C[C@H](C1)c2ccccc2 a2c00b7a91c52aa438a5e99b301aec4b [0,0,0,1,0,1|1,0,1]=4 6716 B16R2.2270 N#CCCCN1CC(C1)c2ccccc2 ee7e7b37dfbba60e3a128e704347508c [0,0,0,1,0,1|2,0,0]=4 6717 B16R2.2270 N#CCCNC1CC(C1)c2ccccc2 d95d90530f7e127f5e520c54670caed4 [0,0,0,1,0,1|0,0,0]=2 6718 B16R2.2270 N#CCCNC1CN(C1)c2ccccc2 8cad08b605bcf6b941eae76605031aaa [0,0,0,1,0,1|0,0,0]=2 6719 B16R2.2270 N#CCCN[C@H]1C[C@@H](C1)c2ccccc2 7ad04881cfbd37066b458a67d95e9115 [0,0,0,1,0,1|0,0,0]=2 6720 B16R2.2270 N#CCCN[C@H]1C[C@H](C1)c2ccccc2 34e0b33a4f9d8d41f086a83440833dee [0,0,0,1,0,1|0,0,0]=2 6721 B16R2.2270 N#CCCOC1CC(C1)c2ccccc2 306bffbda86cd4d72ddefe7bf96274fa [0,0,0,1,0,1|1,0,0]=3 6722 B16R2.2270 N#CCCOC1CN(C1)c2ccccc2 85a4e8b9e28d14f7d61c9a6f507f73d3 [0,0,0,1,0,1|1,0,0]=3 6723 B16R2.2270 N#CCCO[C@H]1C[C@@H](C1)c2ccccc2 97a75fa4f907a7cf06fceb206ffb3c2f [0,0,0,1,0,1|1,0,0]=3 6724 B16R2.2270 N#CCCO[C@H]1C[C@H](C1)c2ccccc2 4b2400fb8fcfd5b104d285193a0090eb [0,0,0,1,0,1|1,0,0]=3 6725 B16R2.2270 N#CSCNC1CC(C1)c2ccccc2 5c8ebaa03ba297859992c37fc7f7ce12 [0,0,0,1,0,1|1,0,0]=3 6726 B16R2.2270 N#CSCN[C@H]1C[C@@H](C1)c2ccccc2 97e5e32427900e6d97bd28198b83e589 [0,0,0,1,0,1|1,0,0]=3 6727 B16R2.2270 N#CSCN[C@H]1C[C@H](C1)c2ccccc2 aed930a16e525b9b4d70adfa8d5cd532 [0,0,0,1,0,1|1,0,0]=3 6728 B16R2.2270 N#CSCOC1CC(C1)c2ccccc2 e1058b430e320b53005b2c9b2201d0b9 [0,0,0,1,0,1|2,0,0]=4 6729 B16R2.2270 N#CSCOC1CN(C1)c2ccccc2 f86a183b6e6abe965c239ac44da021dd [0,0,0,1,0,1|2,0,0]=4 6730 B16R2.2270 N#CSCO[C@H]1C[C@@H](C1)c2ccccc2 2f40fb7d7520c17cba5ba59dd9eb2777 [0,0,0,1,0,1|2,0,0]=4 6731 B16R2.2270 N#CSCO[C@H]1C[C@H](C1)c2ccccc2 c4d473dc14aaa3ac40d1fc7e44d989fa [0,0,0,1,0,1|2,0,0]=4 6732 B16R2.2270 NOCCNC1CC(C1)c2ccccc2 7f2c1e24f8cdeb3106e408ce56e8d4e6 [0,0,0,1,0,1|1,0,1]=4 6733 B16R2.2270 O=CCCNC1CC(C1)c2ccccc2 d900f941b9119704733ab3325bc8404e [0,0,0,1,0,1|1,0,1]=4 6734 B16R2.2270 O=CCCNC1CN(C1)c2ccccc2 087a6b40a4d029d7528a11e53d5af173 [0,0,0,1,0,1|1,0,1]=4 6735 B16R2.2270 O=CCCN[C@H]1C[C@@H](C1)c2ccccc2 492ff671f84952508a8c43b389005d47 [0,0,0,1,0,1|1,0,1]=4 6736 B16R2.2270 O=CCCN[C@H]1C[C@H](C1)c2ccccc2 11008645e7e3caf366f4b466dbdad0a5 [0,0,0,1,0,1|1,0,1]=4 6737 B16R2.2270 OCCCNC1CC(C1)c2ccccc2 210cc1e6ca837d7a181d4bae6e9e5f7f [0,0,0,1,0,1|1,0,1]=4 6738 B16R2.2270 OCCCN[C@H]1C[C@@H](C1)c2ccccc2 a0b1cc816b964d46e2dde372eea6545f [0,0,0,1,0,1|1,0,1]=4 6739 B16R2.2270 OCCCN[C@H]1C[C@H](C1)c2ccccc2 98451e6d8676343a69e823a1e23c6049 [0,0,0,1,0,1|1,0,1]=4 6740 B16R2.2270 SCCCNC1CC(C1)c2ccccc2 26bbcb2695d434c145351169b460d6ec [0,0,0,1,0,1|1,0,1]=4 6741 B16R2.2270 SCCCNC1CN(C1)c2ccccc2 74351001bacbd6456c8e423622a9740f [0,0,0,1,0,1|1,0,1]=4 6742 B16R2.2270 SCCCN[C@H]1C[C@@H](C1)c2ccccc2 237e0e004a16c9016fb8d002a8c62e0e [0,0,0,1,0,1|1,0,1]=4 6743 B16R2.2270 SCCCN[C@H]1C[C@H](C1)c2ccccc2 ec15a7c87ec5f2a9f1eed913353b9a51 [0,0,0,1,0,1|1,0,1]=4 6744 B16R2.2334 N#CC1CCC(C1)NCc2ccccc2 266ec74bde199027e6de0a3d340f3ee4 [0,0,0,1,0,1|1,0,0]=3 6745 B16R2.2334 N#CC1CCC(C1)NCc2ccccn2 28298633d030f652e09e859a15898dbe [0,0,0,1,0,1|2,0,0]=4 6746 B16R2.2334 N#CC1CCC(C1)NCc2cccnc2 d0ccf75ae21b02017995d256b2876f88 [0,0,0,1,0,1|2,0,0]=4 6747 B16R2.2334 N#CC1CCC(C1)OCc2ccccc2 d38a6e82df4ce9aea2f7c254c7c2351b [0,0,0,1,0,1|1,0,0]=3 6748 B16R2.2334 N#CC1CCC(C1)OCc2ccccn2 2ecc6204ab7ef6e18347017f1e453205 [0,0,0,1,0,1|2,0,0]=4 6749 B16R2.2334 N#CC1CCC(C1)OCc2cccnc2 e0cc05f2e37010bda3b0e4212d2e207e [0,0,0,1,0,1|2,0,0]=4 6750 B16R2.2334 N#CC1CCN(C1)CCc2ccccc2 b615a34c53623c92640459d6fcc44ac7 [0,0,0,1,0,1|2,0,0]=4 6751 B16R2.2334 N#C[C@@H]1CCN(C1)CCc2ccccc2 6df0a322f0bbf7bb6a37b15e31a58073 [0,0,0,1,0,1|2,0,0]=4 6752 B16R2.2334 N#C[C@@H]1CC[C@H](C1)OCc2ccccc2 7d376bac7b9c2639bcd0163ae8a95b8b [0,0,0,1,0,1|1,0,0]=3 6753 B16R2.2334 N#C[C@@H]1CC[C@H](C1)OCc2ccccn2 4749ba1a321167a58add7937b480cddd [0,0,0,1,0,1|2,0,0]=4 6754 B16R2.2334 N#C[C@@H]1CC[C@H](C1)OCc2cccnc2 5b4368f3f392646361a8e5a428ca3ad5 [0,0,0,1,0,1|2,0,0]=4 6755 B16R2.2334 N#C[C@H]1CCN(C1)CCc2ccccc2 c574b2a67a9d01a7ab10044f085f3082 [0,0,0,1,0,1|2,0,0]=4 6756 B16R2.2441 C#CCCNC1CCc2ccccc2C1 1653fb09c9af228a064dfe750c3949aa [0,0,0,1,0,1|1,0,0]=3 6757 B16R2.2441 C#CCCNC1CCc2ccncc2C1 a98d9cd6f4f4ae60e3f7c6729f41bbbc [0,0,0,1,0,1|2,0,0]=4 6758 B16R2.2441 C#CCCNC1CCc2cnccc2C1 c64647a8b8d8a348aa9f61bdefe8f50c [0,0,0,1,0,1|2,0,0]=4 6759 B16R2.2441 C#CCCNC1COc2ccccc2C1 ae3b56152280a682810ce3814a9e01d3 [0,0,0,1,0,1|1,0,0]=3 6760 B16R2.2441 C#CCCN[C@@H]1CCc2ccccc2C1 8366b47cecdcd892ddaaac65c747b1fa [0,0,0,1,0,1|1,0,0]=3 6761 B16R2.2441 C#CCCN[C@@H]1COc2ccccc2C1 c599d7841904a3d5c4234385e43e8d34 [0,0,0,1,0,1|1,0,0]=3 6762 B16R2.2441 C#CCCN[C@H]1CCc2ccccc2C1 a06663e0d4c0ce0e6b5d2c230a23c88d [0,0,0,1,0,1|1,0,0]=3 6763 B16R2.2441 C#CCCN[C@H]1COc2ccccc2C1 642323415d944c9ccfb9e491060f0902 [0,0,0,1,0,1|1,0,0]=3 6764 B16R2.2441 C#CCCOC1CCc2ccccc2C1 1b9a84c8a54edafc063f1f753c2027c6 [0,0,0,1,0,1|2,0,0]=4 6765 B16R2.2441 C#CCCOC1Cc2ccccc2CO1 a15a9694ce54e740905be45e16b40484 [0,0,0,1,0,1|2,0,0]=4 6766 B16R2.2441 C#CCCO[C@@H]1CCc2ccccc2C1 9856c918d3fce4458c1fbeb7bc23e440 [0,0,0,1,0,1|2,0,0]=4 6767 B16R2.2441 C#CCCO[C@H]1CCc2ccccc2C1 030bbf57b1981a47a4a1da6d9ff7756f [0,0,0,1,0,1|2,0,0]=4 6768 B16R2.2441 C=CCCNC1CCc2ccccc2C1 6c57677af71aa1d7a085e513193e981d [0,0,0,1,0,1|1,0,1]=4 6769 B16R2.2441 C=CCCNC1COc2ccccc2C1 b7a3606af5ce2404677eac5d73d3defa [0,0,0,1,0,1|1,0,1]=4 6770 B16R2.2441 C=CCCN[C@@H]1CCc2ccccc2C1 2c019e79e02708e475b33dcf058ac97a [0,0,0,1,0,1|1,0,1]=4 6771 B16R2.2441 C=CCCN[C@@H]1COc2ccccc2C1 6a775d08b23b909f6acebbdfc53f1056 [0,0,0,1,0,1|1,0,1]=4 6772 B16R2.2441 C=CCCN[C@H]1CCc2ccccc2C1 cd011859645bd2ada9a4546ad6ea7e3e [0,0,0,1,0,1|1,0,1]=4 6773 B16R2.2441 C=CCCN[C@H]1COc2ccccc2C1 5770d988d44df00524129a401d57287e [0,0,0,1,0,1|1,0,1]=4 6774 B16R2.2441 CCCCNC1CCc2ccccc2C1 ca11c578937a6fd52b24c4a9dea0d480 [0,0,0,1,0,1|1,0,1]=4 6775 B16R2.2441 CCCCNC1COc2ccccc2C1 9fec672381c5d15bd0568d06ab4f6511 [0,0,0,1,0,1|1,0,1]=4 6776 B16R2.2441 CCCCN[C@@H]1CCc2ccccc2C1 5feba63d5f0949df35d5649da195f491 [0,0,0,1,0,1|1,0,1]=4 6777 B16R2.2441 CCCCN[C@@H]1COc2ccccc2C1 f7c0f17c6392db0fb2e59d783b731f3c [0,0,0,1,0,1|1,0,1]=4 6778 B16R2.2441 CCCCN[C@H]1CCc2ccccc2C1 ce16d300914eb3b572bb94240d50d58b [0,0,0,1,0,1|1,0,1]=4 6779 B16R2.2441 CCCCN[C@H]1COc2ccccc2C1 fd87b42d187a438f8d0c626a43c9c196 [0,0,0,1,0,1|1,0,1]=4 6780 B16R2.2441 COCCNC1CCc2ccccc2C1 5dcb7a274dd3422c75e696acc37f674f [0,0,0,1,0,1|2,0,0]=4 6781 B16R2.2441 COCCNC1COc2ccccc2C1 0fcffdb5fe5ec586b5ccecc07c7d7993 [0,0,0,1,0,1|2,0,0]=4 6782 B16R2.2441 COCCN[C@@H]1CCc2ccccc2C1 94c20037c5ae99762bd6d177c8c312ff [0,0,0,1,0,1|2,0,0]=4 6783 B16R2.2441 COCCN[C@@H]1COc2ccccc2C1 f11e63a458b50aa9f865972cf8aececc [0,0,0,1,0,1|2,0,0]=4 6784 B16R2.2441 COCCN[C@H]1CCc2ccccc2C1 4583f00bf680efc0a911b93de17ee832 [0,0,0,1,0,1|2,0,0]=4 6785 B16R2.2441 COCCN[C@H]1COc2ccccc2C1 a5c9ed6bade7c101cc20ebd3f791606a [0,0,0,1,0,1|2,0,0]=4 6786 B16R2.2441 CSCCNC1CCc2ccccc2C1 0515651456cda618d802ff858dc501df [0,0,0,1,0,1|2,0,0]=4 6787 B16R2.2441 CSCCNC1COc2ccccc2C1 312ff064d6e03fc48467cf5af76184ed [0,0,0,1,0,1|2,0,0]=4 6788 B16R2.2441 CSCCN[C@@H]1CCc2ccccc2C1 b75efa63b25922335aa352549476bd4d [0,0,0,1,0,1|2,0,0]=4 6789 B16R2.2441 CSCCN[C@@H]1COc2ccccc2C1 9292b47f8010daa0d5851d2e0a1afefd [0,0,0,1,0,1|2,0,0]=4 6790 B16R2.2441 CSCCN[C@H]1CCc2ccccc2C1 37ef0049cd15923149032c11c77d2c7e [0,0,0,1,0,1|2,0,0]=4 6791 B16R2.2441 CSCCN[C@H]1COc2ccccc2C1 7fb9cebcca76f47df57d5f714eaac3db [0,0,0,1,0,1|2,0,0]=4 6792 B16R2.2441 FCCCNC1CCc2ccccc2C1 ee653c67fae3603ea2ebca9236875f35 [0,0,0,1,0,1|1,0,1]=4 6793 B16R2.2441 FCCCNC1COc2ccccc2C1 0617f3b9bc7d072ad260618a5a0a3fcd [0,0,0,1,0,1|1,0,1]=4 6794 B16R2.2441 FCCCN[C@@H]1CCc2ccccc2C1 5bece977996fc3441e76cd0c710804e2 [0,0,0,1,0,1|1,0,1]=4 6795 B16R2.2441 FCCCN[C@@H]1COc2ccccc2C1 b07d481fa6a05bc2b730747bc1fa5f81 [0,0,0,1,0,1|1,0,1]=4 6796 B16R2.2441 FCCCN[C@H]1CCc2ccccc2C1 7a7c1c7f531d4db7442e795775fbaf12 [0,0,0,1,0,1|1,0,1]=4 6797 B16R2.2441 FCCCN[C@H]1COc2ccccc2C1 9df9f515327976cb0e04d19dac0af699 [0,0,0,1,0,1|1,0,1]=4 6798 B16R2.2441 N#CCCCN1CCc2ccccc2C1 0faca421d56d1764c897e76dd16cdbc7 [0,0,0,1,0,1|2,0,0]=4 6799 B16R2.2441 N#CCCNC1CCc2ccccc2C1 1f6872ec3eadb448a8882a7a77a30aea [0,0,0,1,0,1|0,0,0]=2 6800 B16R2.2441 N#CCCNC1CCc2ccncc2C1 08335eee0843715370e38fce2132b828 [0,0,0,1,0,1|1,0,0]=3 6801 B16R2.2441 N#CCCNC1CCc2cnccc2C1 85aa4f91d6b5108a8bd8aea6d0f64930 [0,0,0,1,0,1|1,0,0]=3 6802 B16R2.2441 N#CCCNC1CCc2ncncc2C1 945bf131c197d9dad9bf36ea5062df42 [0,0,0,1,0,1|2,0,0]=4 6803 B16R2.2441 N#CCCNC1COc2ccccc2C1 4f804ca415a49f84907960c212f8b64e [0,0,0,1,0,1|0,0,0]=2 6804 B16R2.2441 N#CCCN[C@@H]1CCc2ccccc2C1 38b075aeb24018aad4bfe49f2b1b227d [0,0,0,1,0,1|0,0,0]=2 6805 B16R2.2441 N#CCCN[C@@H]1COc2ccccc2C1 75ef882bb4be8e58cc6a7ffedd9022d9 [0,0,0,1,0,1|0,0,0]=2 6806 B16R2.2441 N#CCCN[C@H]1CCc2ccccc2C1 4ee943f96b7ba5e23a7e0fdb9657c6d5 [0,0,0,1,0,1|0,0,0]=2 6807 B16R2.2441 N#CCCN[C@H]1COc2ccccc2C1 12c86fd68a50bd04925cdc47586eb1f3 [0,0,0,1,0,1|0,0,0]=2 6808 B16R2.2441 N#CCCOC1CCc2ccccc2C1 6689767d2cce53597412928fbcea64cc [0,0,0,1,0,1|1,0,0]=3 6809 B16R2.2441 N#CCCOC1CCc2ccccc2O1 290b1ed48930b28e505fa31589c467af [0,0,0,1,0,1|2,0,0]=4 6810 B16R2.2441 N#CCCOC1CCc2cnccc2C1 d26813d6833f8c7f762427a4f4332fad [0,0,0,1,0,1|2,0,0]=4 6811 B16R2.2441 N#CCCOC1Cc2ccccc2CO1 d72b7b1d7b3f0e3bba9c11c61f04ac80 [0,0,0,1,0,1|1,0,0]=3 6812 B16R2.2441 N#CCCO[C@@H]1CCc2ccccc2C1 608adbe5d174bc08f3501181b3e09ba1 [0,0,0,1,0,1|1,0,0]=3 6813 B16R2.2441 N#CCCO[C@H]1CCc2ccccc2C1 26c884ca86b44832cd1b69236c85491d [0,0,0,1,0,1|1,0,0]=3 6814 B16R2.2441 N#CCNCC1CCc2ccccc2C1 5423050cf0b2456ecb310231370238a3 [0,0,0,1,0,1|2,0,0]=4 6815 B16R2.2441 N#CCNCC1COc2ccccc2C1 95f71673e3778489165423b0c064daf7 [0,0,0,1,0,1|2,0,0]=4 6816 B16R2.2441 N#CCNCC1Cc2ccccc2CO1 63ec78f19dfdd19e372c9f310a35a6f1 [0,0,0,1,0,1|2,0,0]=4 6817 B16R2.2441 N#CCOCC1CCc2ccccc2C1 eb668bffabeb3e31fd1c9d05446e83eb [0,0,0,1,0,1|2,0,0]=4 6818 B16R2.2441 N#CCOCC1COc2ccccc2C1 b6d1b3efa779317a204425ad5076bc32 [0,0,0,1,0,1|2,0,0]=4 6819 B16R2.2441 N#CCOCC1Cc2ccccc2CO1 04b277877f65018c817aea86c4cc6096 [0,0,0,1,0,1|2,0,0]=4 6820 B16R2.2441 N#CSCOC1CCc2ccccc2C1 1363e5c3e11c643ed3cda49f873c7699 [0,0,0,1,0,1|2,0,0]=4 6821 B16R2.2441 N#CSCOC1Cc2ccccc2CO1 4ca46da29a68609e749416f75c8f3c10 [0,0,0,1,0,1|2,0,0]=4 6822 B16R2.2441 N#CSCO[C@@H]1CCc2ccccc2C1 7636c95e0bafcfe912a439b9c5536a37 [0,0,0,1,0,1|2,0,0]=4 6823 B16R2.2441 N#CSCO[C@H]1CCc2ccccc2C1 ca7cbafa954644867d71f9ade21c3c01 [0,0,0,1,0,1|2,0,0]=4 6824 B16R2.2441 O=CCCNC1CCc2ccccc2C1 598039c29c04a9f68ccc3c5c37e864ca [0,0,0,1,0,1|1,0,1]=4 6825 B16R2.2441 O=CCCNC1COc2ccccc2C1 5487e2d6bee23466bd7e89ddd49aa8ac [0,0,0,1,0,1|1,0,1]=4 6826 B16R2.2441 O=CCCN[C@@H]1CCc2ccccc2C1 b01c4722ce4da056544e1d505fcc427f [0,0,0,1,0,1|1,0,1]=4 6827 B16R2.2441 O=CCCN[C@@H]1COc2ccccc2C1 aa24418e5f6c6a85f211faee6181c31b [0,0,0,1,0,1|1,0,1]=4 6828 B16R2.2441 O=CCCN[C@H]1CCc2ccccc2C1 dd49028f2bd58ef03eed9b8d46fa3052 [0,0,0,1,0,1|1,0,1]=4 6829 B16R2.2441 O=CCCN[C@H]1COc2ccccc2C1 45d5ea6da12fb586b583865bc66445a8 [0,0,0,1,0,1|1,0,1]=4 6830 B16R2.2441 OCCCNC1CCc2ccccc2C1 33a3e0c7df4fdeaaf838a7067b7d3d20 [0,0,0,1,0,1|1,0,1]=4 6831 B16R2.2441 OCCCNC1COc2ccccc2C1 1624a02ac6d2cbe67c32c004a89b9dc9 [0,0,0,1,0,1|1,0,1]=4 6832 B16R2.2441 OCCCN[C@@H]1CCc2ccccc2C1 5bd784c06d1b54d101288ce72e04c898 [0,0,0,1,0,1|1,0,1]=4 6833 B16R2.2441 OCCCN[C@@H]1COc2ccccc2C1 e4b23fcbeffd88c136134ce08cbb86d5 [0,0,0,1,0,1|1,0,1]=4 6834 B16R2.2441 OCCCN[C@H]1CCc2ccccc2C1 427c87cacf9ae24b819986d6c4d4422b [0,0,0,1,0,1|1,0,1]=4 6835 B16R2.2441 OCCCN[C@H]1COc2ccccc2C1 3571111dee30f331280413fcdbf5192a [0,0,0,1,0,1|1,0,1]=4 6836 B16R2.2441 SCCCNC1CCc2ccccc2C1 920fd5dbb6c74e51da535037a4105ee5 [0,0,0,1,0,1|1,0,1]=4 6837 B16R2.2441 SCCCNC1COc2ccccc2C1 eac70aef0c7a75b231380e74a080d8a1 [0,0,0,1,0,1|1,0,1]=4 6838 B16R2.2441 SCCCN[C@@H]1CCc2ccccc2C1 0548118b8096441cf52b65412b5fe471 [0,0,0,1,0,1|1,0,1]=4 6839 B16R2.2441 SCCCN[C@@H]1COc2ccccc2C1 bb925bc1c74eb37b774784938bc12776 [0,0,0,1,0,1|1,0,1]=4 6840 B16R2.2441 SCCCN[C@H]1CCc2ccccc2C1 f77666cfaf5a084817d10014a91de62a [0,0,0,1,0,1|1,0,1]=4 6841 B16R2.2441 SCCCN[C@H]1COc2ccccc2C1 8113f9a9ecf407f029681b239c37d407 [0,0,0,1,0,1|1,0,1]=4 6842 B16R2.3193 CC(CCc1ccccc1)NC2CC2C 7997e731483c4d145de5d3d9a8a895a4 [0,0,0,1,0,1|1,0,1]=4 6843 B16R2.3193 CC(CCc1ccccc1)N[C@@H]2C[C@H]2F a8df77f6f385c169a927c2856c1a6f8b [0,0,0,1,0,1|1,0,1]=4 6844 B16R2.3193 CC(CCc1ccccc1)N[C@H]2C[C@@H]2F ad3d344644af8f2fc71b39dd45530f4e [0,0,0,1,0,1|1,0,1]=4 6845 B16R2.3193 CC(CCc1ccccc1)N[C@H]2C[C@H]2F 65dedf0d69b4f59d58ff753b7de0893c [0,0,0,1,0,1|1,0,1]=4 6846 B16R2.3193 CC(COc1ccccc1)NC2CC2C 647a8b4424913d9a1fa882a606c033b2 [0,0,0,1,0,1|1,0,1]=4 6847 B16R2.3193 CC(COc1ccccc1)N[C@@H]2C[C@H]2F 51db63c917285028cdcd0916adf6bcd7 [0,0,0,1,0,1|1,0,1]=4 6848 B16R2.3193 CC(COc1ccccc1)N[C@H]2C[C@@H]2F 148a3cabf919d8f1bd3ad7b9d7b2a669 [0,0,0,1,0,1|1,0,1]=4 6849 B16R2.3193 CC(COc1ccccc1)N[C@H]2C[C@H]2F 22ea1ee1a403e6f6c365b048f7db4b54 [0,0,0,1,0,1|1,0,1]=4 6850 B16R2.3627 N#CCN1CC(C1)OCc2ccccc2 cff1eaccac6754504c88f21fe1aece3d [0,0,0,1,0,1|2,0,0]=4 6851 B16R2.3627 N#CC[C@H]1C[C@@H](C1)OCc2ccccc2 c7a0bea74ba7d03709595efcd1a59560 [0,0,0,1,0,1|1,0,0]=3 6852 B16R2.3627 N#CC[C@H]1C[C@@H](C1)OCc2ccccn2 39483648c0c8682d8782647659797ac5 [0,0,0,1,0,1|2,0,0]=4 6853 B16R2.3627 N#CC[C@H]1C[C@@H](C1)OCc2cccnc2 6b05f357ccac42eef3a1d77d44feadc9 [0,0,0,1,0,1|2,0,0]=4 6854 B16R2.3627 N#CNC1CC(C1)OCc2ccccc2 8c7e0dc5182267e1e9fca749a9755593 [0,0,0,1,0,1|2,0,0]=4 6855 B16R2.4347 C#CCCOC1(CCc2c1cccc2)C f99674c85e69a2c3c558d3b424e7efa3 [0,0,0,1,0,1|2,0,0]=4 6856 B16R2.4347 CC1(CCc2c1cccc2)OCCC#N c2558e886d58804660154c32833c600b [0,0,0,1,0,1|1,0,0]=3 6857 B16R2.30013 C#CCCN1c2ccccc2CCC1C db6fe8143c724a5c8bffdfdb2b161ef3 [0,0,0,1,0,1|1,0,0]=3 6858 B16R2.30013 C#CCCN1c2ccccc2CC[C@@H]1C 03eb8784916f67a0bb8c080adbe51f52 [0,0,0,1,0,1|1,0,0]=3 6859 B16R2.30013 C#CCCN1c2ccccc2CC[C@H]1C d06c04088a35c4e97be8e10e551a0e7f [0,0,0,1,0,1|1,0,0]=3 6860 B16R2.30013 C=CCCN1c2ccccc2CCC1C 0d73cf17239c352027580a88fcb275ff [0,0,0,1,0,1|1,0,1]=4 6861 B16R2.30013 C=CCCN1c2ccccc2CC[C@@H]1C 14fc9677e78642d08df04c99760b79d6 [0,0,0,1,0,1|1,0,1]=4 6862 B16R2.30013 C=CCCN1c2ccccc2CC[C@H]1C bcf09f6851f8ee30865c34c806c81249 [0,0,0,1,0,1|1,0,1]=4 6863 B16R2.30013 C=CCCN1c2ccccc2OCC1C cb781497735a40907c901164626c71db [0,0,0,1,0,1|1,0,1]=4 6864 B16R2.30013 CC1CCc2ccccc2N1CCC#N 64e03d7fd3e74cce3e0d63253aabd0a5 [0,0,0,1,0,1|0,0,0]=2 6865 B16R2.30013 CC1CCc2ccccc2N1CCC=O 31f75207e8a5212a416e177ce6169a9d [0,0,0,1,0,1|1,0,1]=4 6866 B16R2.30013 CC1CCc2ccccc2N1CCCF 0bb2b5afeb96a478dc9eeef5342e4d80 [0,0,0,1,0,1|1,0,1]=4 6867 B16R2.30013 CC1CCc2ccccc2N1CCCO 0fc49d7225a1328dc3930adf0cafefab [0,0,0,1,0,1|1,0,1]=4 6868 B16R2.30013 CC1COc2ccccc2N1CCC#N f00ec017989d6e35f672bd5e2c93e416 [0,0,0,1,0,1|0,0,0]=2 6869 B16R2.30013 CC1COc2ccccc2N1CCC=O 31c69416b6d17d6e53410276306be89e [0,0,0,1,0,1|1,0,1]=4 6870 B16R2.30013 CC1COc2ccccc2N1CCCF 519bbf7fd9d80ddf69b4f99d83991337 [0,0,0,1,0,1|1,0,1]=4 6871 B16R2.30013 CC1COc2ccccc2N1CCCO 009f8775c399b3b4f92d45893c0a7e33 [0,0,0,1,0,1|1,0,1]=4 6872 B16R2.30013 CCCCN1c2ccccc2CCC1C 715eb9b8139c5974358116079604e090 [0,0,0,1,0,1|1,0,1]=4 6873 B16R2.30013 CCCCN1c2ccccc2CC[C@@H]1C e96e2462966a8163fe692df113d4d4ec [0,0,0,1,0,1|1,0,1]=4 6874 B16R2.30013 CCCCN1c2ccccc2CC[C@H]1C d66dfdeff9a0c800f6e7d3a3c331d815 [0,0,0,1,0,1|1,0,1]=4 6875 B16R2.30013 COCCN1c2ccccc2CCC1C 9cbafaefdc6dd153d62cb0a83c7dc538 [0,0,0,1,0,1|2,0,0]=4 6876 B16R2.30013 COCCN1c2ccccc2CC[C@@H]1C 15a1bf2fe7ee3e2d35eaa3954dd8960a [0,0,0,1,0,1|2,0,0]=4 6877 B16R2.30013 COCCN1c2ccccc2CC[C@H]1C 7d25c80d3eb4cfb8ba9d4c1046ce0bf8 [0,0,0,1,0,1|2,0,0]=4 6878 B16R2.30013 COCCN1c2ccccc2OCC1C d6541f40590aee1f465739e0f43a2d63 [0,0,0,1,0,1|2,0,0]=4 6879 B16R2.30013 CSCCN1c2ccccc2CCC1C bec5357a7ecd12f0088a79e4a13cf0dd [0,0,0,1,0,1|2,0,0]=4 6880 B16R2.30013 CSCCN1c2ccccc2CC[C@@H]1C 4f8fc59d97b42092f32a161ddb5f11a9 [0,0,0,1,0,1|2,0,0]=4 6881 B16R2.30013 CSCCN1c2ccccc2CC[C@H]1C 0bb378daaeb7cbdeb9461b7918a866ef [0,0,0,1,0,1|2,0,0]=4 6882 B16R2.30013 CSCCN1c2ccccc2OCC1C b15ed0a11b27a9372322be3ebb9225d6 [0,0,0,1,0,1|2,0,0]=4 6883 B16R2.30013 C[C@@H]1CCc2ccccc2N1CCC#N 3be15994f3811fd7139a0927a91efc28 [0,0,0,1,0,1|0,0,0]=2 6884 B16R2.30013 C[C@@H]1CCc2ccccc2N1CCC=O 817827a74021a3f1d2294ec060f06568 [0,0,0,1,0,1|1,0,1]=4 6885 B16R2.30013 C[C@@H]1CCc2ccccc2N1CCCF 851bd38451a99ff5e550f05a262efa7b [0,0,0,1,0,1|1,0,1]=4 6886 B16R2.30013 C[C@@H]1CCc2ccccc2N1CCCO 3644f979b5aeaf3df7167d08577d8ef7 [0,0,0,1,0,1|1,0,1]=4 6887 B16R2.30013 C[C@H]1CCc2ccccc2N1CCC#N d5d5ba8171551e7c4d72b29d2f8514d8 [0,0,0,1,0,1|0,0,0]=2 6888 B16R2.30013 C[C@H]1CCc2ccccc2N1CCC=O 4b756234a21ed04e02c76796f70898f2 [0,0,0,1,0,1|1,0,1]=4 6889 B16R2.30013 C[C@H]1CCc2ccccc2N1CCCF 5eddb07b733879f39e9bc3aa5383a85b [0,0,0,1,0,1|1,0,1]=4 6890 B16R2.30013 C[C@H]1CCc2ccccc2N1CCCO 0f3a54fb5ddf13fedb983f472bab1d25 [0,0,0,1,0,1|1,0,1]=4 6891 B16R2.43746 N#CCCNC(=O)C1Cc2c1cccc2 9f1a789c2ff13d2fb60ac86d7b9de6d2 [0,0,0,1,0,1|1,0,1]=4 6892 B16R2.44148 CC(COc1ccccc1)NC2CCC2 175d9910f61ba895c922d1b23f280b60 [0,0,0,1,0,1|1,0,1]=4 6893 B16R2.44148 CC(COc1ccccc1)NC2COC2 e11afa35c795a3d792cc8fd00a939011 [0,0,0,1,0,1|2,0,0]=4 6894 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 2593a49efc7cdfdfc5fb361e70b74183 [0,0,0,1,0,1|1,0,1]=4 6895 B16R2.44153 CC(COc1ccccc1)NCC2CC2 85a523e92ac6e253332fef1adc4658d5 [0,0,0,1,0,1|1,0,1]=4 6896 B16R2.44153 C[C@@H](CCc1ccccc1)NCC2CC2 6e7b656bea98b0e8afa1d014edce3bf4 [0,0,0,1,0,1|1,0,1]=4 6897 B16R2.44153 C[C@H](CCc1ccccc1)NCC2CC2 bfb42a4e5905f6c16cf530e16d7af763 [0,0,0,1,0,1|1,0,1]=4 6898 B16R2.23 N#CC1CCCN(C1)Cc2ccccc2 0087a45ad8fcd750361e3058fad36d6e [0,1,0,1,0,0|2,0,0]=4 6899 B16R2.23 N#C[C@@H]1CCCN(C1)Cc2ccccc2 8a75af89883979bb5a000c601ea477a0 [0,1,0,1,0,0|2,0,0]=4 6900 B16R2.88 CC(Cc1ccccc1)N2CCSCC2 a459280b199db826c16b0438df1782c8 [0,1,0,1,0,0|1,0,1]=4 6901 B16R2.92 C#CCN1CCC(C1)Cc2ccccc2 18efcdb9ed6e755731804fed08566420 [0,1,0,1,0,0|2,0,0]=4 6902 B16R2.92 N#CCC1CCN(C1)Cc2ccccc2 afb1b9b78e3279d142b215ad3004b36c [0,1,0,1,0,0|2,0,0]=4 6903 B16R2.92 N#CCN1CCC(C1)Cc2ccccc2 1fce1767a47313303ab66b73487e5ae8 [0,1,0,1,0,0|1,0,0]=3 6904 B16R2.92 N#CCN1CCC(C1)Oc2ccccc2 8adc79af3eb0cbf1fe3e12ec5f1327a7 [0,1,0,1,0,0|2,0,0]=4 6905 B16R2.92 N#CCN1CC[C@@H](C1)Oc2ccccc2 ee84aec7bae329600e51c5e276c6c733 [0,1,0,1,0,0|2,0,0]=4 6906 B16R2.92 N#CCN1CC[C@H](C1)Oc2ccccc2 66700c28dc52ba95ea599f2b540d1656 [0,1,0,1,0,0|2,0,0]=4 6907 B16R2.92 N#CC[C@@H]1CCN(C1)Cc2ccccc2 04db4f7bb24834366530d3a543ff20a6 [0,1,0,1,0,0|2,0,0]=4 6908 B16R2.92 N#CC[C@H]1CCN(C1)Cc2ccccc2 cc4ec0a43ac0dd64403dab5834aa6a90 [0,1,0,1,0,0|2,0,0]=4 6909 B16R2.92 N#CNC1CCN(C1)Cc2ccccc2 f579034671ed24cb739313247ad0c6fe [0,1,0,1,0,0|2,0,0]=4 6910 B16R2.118 C#CCCN1CC(C1)Cc2ccccc2 43188b9294a24bfea0b94f70a28a18b1 [0,1,0,1,0,0|1,0,0]=3 6911 B16R2.118 C#CCCN1CC(C1)Oc2ccccc2 ebf39f984b9ee67f975ce140b6bf0e6f [0,1,0,1,0,0|2,0,0]=4 6912 B16R2.118 C#CCOC1CC(C1)Cc2ccccc2 f34499a24ad36dbac8f675dd44f75240 [0,1,0,1,0,0|2,0,0]=4 6913 B16R2.118 C=CCCN1CC(C1)Cc2ccccc2 ac9652150412b4ac8ebe467e07e721b0 [0,1,0,1,0,0|1,0,1]=4 6914 B16R2.118 CCCCN1CC(C1)Cc2ccccc2 1a28ffabcdcb4d8cd4aaf0689e63f06e [0,1,0,1,0,0|1,0,1]=4 6915 B16R2.118 COCCN1CC(C1)Cc2ccccc2 fe6f052743d227be0d77c3b926fc3aa4 [0,1,0,1,0,0|2,0,0]=4 6916 B16R2.118 CSCCN1CC(C1)Cc2ccccc2 41b5df70cf01a56ccf1ef05afc09c572 [0,1,0,1,0,0|2,0,0]=4 6917 B16R2.118 FCCCN1CC(C1)Cc2ccccc2 2ed99c1d5ca4fd7313846f9aad733c13 [0,1,0,1,0,0|1,0,1]=4 6918 B16R2.118 N#CCCN1CC(C1)Cc2ccccc2 96c0d6dff23ebc1d148b0cca554ff040 [0,1,0,1,0,0|0,0,0]=2 6919 B16R2.118 N#CCCN1CC(C1)Oc2ccccc2 3a1d9fc0d80e075a4b473690b694f907 [0,1,0,1,0,0|1,0,0]=3 6920 B16R2.118 N#CCCN1CC(C1)Oc2ccccn2 8e1b34ed5421e600df216bf8492fcb5f [0,1,0,1,0,0|2,0,0]=4 6921 B16R2.118 N#CCCN1CC(C1)Oc2cccnc2 85cc1de1630a01af5701c883b42c4d0b [0,1,0,1,0,0|2,0,0]=4 6922 B16R2.118 N#CCNC1CN(C1)Cc2ccccc2 992a3638dae3972d411b43953a52dbcb [0,1,0,1,0,0|2,0,0]=4 6923 B16R2.118 N#CCOC1CC(C1)Cc2ccccc2 64fb0dfa508b0ae9fb3c4cdc5493182d [0,1,0,1,0,0|1,0,0]=3 6924 B16R2.118 N#CCOC1CN(C1)Cc2ccccc2 936027702802144a8be3560ef683c386 [0,1,0,1,0,0|2,0,0]=4 6925 B16R2.118 N#CSCN1CC(C1)Oc2ccccc2 677a0c6361b0e598d7ccff5988ee22de [0,1,0,1,0,0|2,0,0]=4 6926 B16R2.118 O=CCCN1CC(C1)Cc2ccccc2 6481f2eb2d2721248cb34e720c8850ac [0,1,0,1,0,0|1,0,1]=4 6927 B16R2.118 SCCCN1CC(C1)Cc2ccccc2 9535be1fd296c7dfefde7197ea83f77b [0,1,0,1,0,0|1,0,1]=4 6928 B16R2.278 CC(Cc1ccccc1)N[C@H]2CNC2=O 296ea08c76ad67049cb6540eb1e62c2c [0,1,0,1,0,0|1,0,1]=4 6929 B16R2.1265 C#CCCCNC1CC1c2ccccc2 23acb56f6cc6f18faa7df01f1c257ddd [0,1,0,1,0,0|1,0,0]=3 6930 B16R2.1265 C#CCCCN[C@@H]1C[C@H]1c2ccccc2 afaede659dc7b48cfd7a7ce524940d65 [0,1,0,1,0,0|1,0,0]=3 6931 B16R2.1265 C#CCCCN[C@H]1C[C@@H]1c2ccccc2 32f13b47d6495386dd5026f252bf61b5 [0,1,0,1,0,0|1,0,0]=3 6932 B16R2.1265 C#CCCCOC1CC1c2ccccc2 01cc57757c03fd704ec8b2244c866ae3 [0,1,0,1,0,0|2,0,0]=4 6933 B16R2.1265 C#CCCCO[C@@H]1C[C@H]1c2ccccc2 ce452d93f88f0fad2216622afff62ef4 [0,1,0,1,0,0|2,0,0]=4 6934 B16R2.1265 C#CCCOCC1CC1c2ccccc2 65d0dd438868775416c9b97e9d43429f [0,1,0,1,0,0|2,0,0]=4 6935 B16R2.1265 C#CCCOC[C@@H]1C[C@H]1c2ccccc2 308092cc996cf71f4d4a53466d30489d [0,1,0,1,0,0|2,0,0]=4 6936 B16R2.1265 C=CCCCNC1CC1c2ccccc2 8e595077024bffddd6b0fef82059fb38 [0,1,0,1,0,0|1,0,1]=4 6937 B16R2.1265 C=CCCCN[C@@H]1C[C@H]1c2ccccc2 393d0109a4de00b89aa13a1150841baf [0,1,0,1,0,0|1,0,1]=4 6938 B16R2.1265 C=CCCCN[C@H]1C[C@@H]1c2ccccc2 31a26ff83441b8e93a582dfe203f21f9 [0,1,0,1,0,0|1,0,1]=4 6939 B16R2.1265 CCCCCNC1CC1c2ccccc2 e76264c9216ae44a5b93736bba586e25 [0,1,0,1,0,0|1,0,1]=4 6940 B16R2.1265 CCCCCN[C@@H]1C[C@H]1c2ccccc2 38c155c708b1c3a31169b241c5d78d5c [0,1,0,1,0,0|1,0,1]=4 6941 B16R2.1265 CCCCCN[C@H]1C[C@@H]1c2ccccc2 14c6d0c512c05b716212ec5151aa52ca [0,1,0,1,0,0|1,0,1]=4 6942 B16R2.1265 CCOCCNC1CC1c2ccccc2 b25b169df543d6f0d665fc3f7eb0b37f [0,1,0,1,0,0|1,0,1]=4 6943 B16R2.1265 CCOCCN[C@@H]1C[C@H]1c2ccccc2 43c99eff565727be603414ae7c6af446 [0,1,0,1,0,0|1,0,1]=4 6944 B16R2.1265 CCOCCN[C@H]1C[C@@H]1c2ccccc2 751b045767ac34df009a02e95508aea6 [0,1,0,1,0,0|1,0,1]=4 6945 B16R2.1265 CCSCCNC1CC1c2ccccc2 732c535ecbc26781ca673623e3814520 [0,1,0,1,0,0|1,0,1]=4 6946 B16R2.1265 CCSCCN[C@@H]1C[C@H]1c2ccccc2 4c244082b16ae475e7db5cb245d967b1 [0,1,0,1,0,0|1,0,1]=4 6947 B16R2.1265 CCSCCN[C@H]1C[C@@H]1c2ccccc2 314dc720e2104baba68dfa938b73a1d3 [0,1,0,1,0,0|1,0,1]=4 6948 B16R2.1265 COCCCNC1CC1c2ccccc2 cd650c39a291d53302c05210bb42b535 [0,1,0,1,0,0|1,0,1]=4 6949 B16R2.1265 COCCCN[C@@H]1C[C@H]1c2ccccc2 47a115d1d9b0193e57168512d7ad6fe3 [0,1,0,1,0,0|1,0,1]=4 6950 B16R2.1265 COCCCN[C@H]1C[C@@H]1c2ccccc2 b369edf4dfb61c70fe3b4aef915107ea [0,1,0,1,0,0|1,0,1]=4 6951 B16R2.1265 CSCCCNC1CC1c2ccccc2 602b69fcfa5e47004a54129a1b163a6f [0,1,0,1,0,0|1,0,1]=4 6952 B16R2.1265 CSCCCN[C@@H]1C[C@H]1c2ccccc2 7a11d6cc24a8a8359eef92c0e30ea043 [0,1,0,1,0,0|1,0,1]=4 6953 B16R2.1265 CSCCCN[C@H]1C[C@@H]1c2ccccc2 491868bad6703a502491fd233f12b57b [0,1,0,1,0,0|1,0,1]=4 6954 B16R2.1265 FCCCCNC1CC1c2ccccc2 41eaaeeda04a857ccf34077205c07685 [0,1,0,1,0,0|1,0,1]=4 6955 B16R2.1265 FCCCCN[C@@H]1C[C@H]1c2ccccc2 35c9b778a4e268c3cecbe180a0825416 [0,1,0,1,0,0|1,0,1]=4 6956 B16R2.1265 FCCCCN[C@H]1C[C@@H]1c2ccccc2 7140d77d497dcd9015e58130b7ceeec9 [0,1,0,1,0,0|1,0,1]=4 6957 B16R2.1265 N#CC=CCNC1CC1c2ccccc2 ec534be4827fbcceda1b3d7b251ca967 [0,1,0,1,0,0|0,0,1]=3 6958 B16R2.1265 N#CC=CCN[C@@H]1C[C@H]1c2ccccc2 76e64648abd24c12cba9b297ec4b6705 [0,1,0,1,0,0|0,0,1]=3 6959 B16R2.1265 N#CC=CCN[C@H]1C[C@@H]1c2ccccc2 bc807521ce2ef4f5c3b69bbd9bd2ced1 [0,1,0,1,0,0|0,0,1]=3 6960 B16R2.1265 N#CC=CCOC1CC1c2ccccc2 e0a50e00567dab4ea241d56376964cd5 [0,1,0,1,0,0|1,0,1]=4 6961 B16R2.1265 N#CC=CCO[C@@H]1C[C@H]1c2ccccc2 23988eccee28591ae92d513d4a25dd1b [0,1,0,1,0,0|1,0,1]=4 6962 B16R2.1265 N#CCCCCN1CC1c2ccccc2 bb8a7a36d604f5f82544e04827cf63f5 [0,1,0,1,0,0|2,0,0]=4 6963 B16R2.1265 N#CCCCCN1C[C@@H]1c2ccccc2 0f43fd5eb3c8958d6ac99630886bea5e [0,1,0,1,0,0|2,0,0]=4 6964 B16R2.1265 N#CCCCNC1CC1c2ccccc2 7c8b64189f530180d76288176dbb2f76 [0,1,0,1,0,0|0,0,0]=2 6965 B16R2.1265 N#CCCCN[C@@H]1C[C@H]1c2ccccc2 4a17e5e7eaebb3f3acd9fcc30884d47c [0,1,0,1,0,0|0,0,0]=2 6966 B16R2.1265 N#CCCCN[C@H]1C[C@@H]1c2ccccc2 80c5dbb9aeb4b02257d06b78291f77cc [0,1,0,1,0,0|0,0,0]=2 6967 B16R2.1265 N#CCCCOC1CC1c2ccccc2 0384047f0fb056953ab5589c2a5e28f7 [0,1,0,1,0,0|1,0,0]=3 6968 B16R2.1265 N#CCCCO[C@@H]1C[C@H]1c2ccccc2 3dcbc651b31231d438608de4786e8311 [0,1,0,1,0,0|1,0,0]=3 6969 B16R2.1265 N#CCCOCC1CC1c2ccccc2 bccff3e6711ce5347ef3fb4a75acd01a [0,1,0,1,0,0|1,0,0]=3 6970 B16R2.1265 N#CCCOCC1CC1c2ccncc2 2442ab56de9ea5c6c4684d2b0d042d14 [0,1,0,1,0,0|2,0,0]=4 6971 B16R2.1265 N#CCCOC[C@@H]1CC1c2ccncc2 40f1cd285706bc83096a2374eaf0c5f7 [0,1,0,1,0,0|2,0,0]=4 6972 B16R2.1265 N#CCCOC[C@@H]1C[C@H]1c2ccccc2 569e0f73646b3f45d2b005379da08fc5 [0,1,0,1,0,0|1,0,0]=3 6973 B16R2.1265 N#CCCOC[C@H]1CC1c2ccncc2 f2183485d2b6fbb0b6904ed26a2ab7b3 [0,1,0,1,0,0|2,0,0]=4 6974 B16R2.1265 N#CCOCCN1CC1c2ccccc2 7cb7f1bf781cd84bce58d79a6f6e2d54 [0,1,0,1,0,0|2,0,0]=4 6975 B16R2.1265 N#CCOCCN1C[C@@H]1c2ccccc2 0a00ada2411da74de79baaea290f2799 [0,1,0,1,0,0|2,0,0]=4 6976 B16R2.1265 N#CSCOCC1CC1c2ccccc2 c9a610b691acc3e42dd6bff28e0e1125 [0,1,0,1,0,0|2,0,0]=4 6977 B16R2.1265 N#CSCOC[C@@H]1C[C@H]1c2ccccc2 d45b4934f55424fe34a0d54c1c779757 [0,1,0,1,0,0|2,0,0]=4 6978 B16R2.1265 O=CCCCNC1CC1c2ccccc2 0fbf98e0533134ff58201990f2477626 [0,1,0,1,0,0|1,0,1]=4 6979 B16R2.1265 O=CCCCN[C@@H]1C[C@H]1c2ccccc2 f1ffcd215120ce70dcacb334ac0265a2 [0,1,0,1,0,0|1,0,1]=4 6980 B16R2.1265 O=CCCCN[C@H]1C[C@@H]1c2ccccc2 96076706e85883438e383aa14ea32f48 [0,1,0,1,0,0|1,0,1]=4 6981 B16R2.1265 OCCCCNC1CC1c2ccccc2 89a89800036b06bc346cd7d944312dad [0,1,0,1,0,0|1,0,1]=4 6982 B16R2.1265 OCCCCN[C@@H]1C[C@H]1c2ccccc2 693bf195edac23fb321944c06e760c53 [0,1,0,1,0,0|1,0,1]=4 6983 B16R2.1265 OCCCCN[C@H]1C[C@@H]1c2ccccc2 ee13317bbe6e5248327b0bd6b1bb9582 [0,1,0,1,0,0|1,0,1]=4 6984 B16R2.2268 C#CCCCN1C(C1c2ccccc2)C 72f118a1b739e136918c0e825d53fd07 [0,1,0,1,0,0|1,0,0]=3 6985 B16R2.2268 C#CCCCN1[C@@H]([C@@H]1c2ccccc2)C f518bb874fa8fdccea12f7b4fad19a1b [0,1,0,1,0,0|1,0,0]=3 6986 B16R2.2268 C=CCCCN1C(C1c2ccccc2)C e39cd633d80177bb326fa3370226597c [0,1,0,1,0,0|1,0,1]=4 6987 B16R2.2268 C=CCCCN1[C@@H]([C@@H]1c2ccccc2)C ed6dfba2cdd687695a57d2d84abc4f03 [0,1,0,1,0,0|1,0,1]=4 6988 B16R2.2268 CC1C(N1CC=CC#N)c2ccccc2 385338d62d9b9a06bfce56c8a04674d1 [0,1,0,1,0,0|0,0,1]=3 6989 B16R2.2268 CC1C(N1CCCC#N)c2ccccc2 a4610edcc9df7a7bb646216f66b253ac [0,1,0,1,0,0|0,0,0]=2 6990 B16R2.2268 CC1C(N1CCCC=O)c2ccccc2 adb8dca750d602a758c2a49dd74d1499 [0,1,0,1,0,0|1,0,1]=4 6991 B16R2.2268 CC1C(N1CCCCF)c2ccccc2 e50c7bceeb388f69b3f0ab394a2e1274 [0,1,0,1,0,0|1,0,1]=4 6992 B16R2.2268 CC1C(N1CCCCO)c2ccccc2 46da0193ef7743d6aa475530a24e6f20 [0,1,0,1,0,0|1,0,1]=4 6993 B16R2.2268 CCC#CCN1C(C1c2ccccc2)C ad4b8b0ab79f851599b470b5645686bc [0,1,0,1,0,0|1,0,1]=4 6994 B16R2.2268 CCC#CCN1[C@@H]([C@@H]1c2ccccc2)C 77df23fc936278e27a79ee6060679dc4 [0,1,0,1,0,0|1,0,1]=4 6995 B16R2.2268 CCCCCN1C(C1c2ccccc2)C 7d0eda085e1437067c0ae254ea55682b [0,1,0,1,0,0|1,0,1]=4 6996 B16R2.2268 CCCCCN1[C@@H]([C@@H]1c2ccccc2)C 9d7d960f0d1b15a31fd2312c7a9547c4 [0,1,0,1,0,0|1,0,1]=4 6997 B16R2.2268 CCOCCN1C(C1c2ccccc2)C dc80f5d688b4cd6d237a3901a6eeaf77 [0,1,0,1,0,0|1,0,1]=4 6998 B16R2.2268 CCOCCN1[C@@H]([C@@H]1c2ccccc2)C 200b2caa7a758dd186547427e05ac607 [0,1,0,1,0,0|1,0,1]=4 6999 B16R2.2268 CCSCCN1C(C1c2ccccc2)C 0c07a4114a3143aa62589b2816459a64 [0,1,0,1,0,0|1,0,1]=4 7000 B16R2.2268 CCSCCN1[C@@H]([C@@H]1c2ccccc2)C 926ecb5ef6dafc02e0097e7ab17a050b [0,1,0,1,0,0|1,0,1]=4 7001 B16R2.2268 COCCCN1C(C1c2ccccc2)C dbec2d5b8dab6a897d03f996026c45cd [0,1,0,1,0,0|1,0,1]=4 7002 B16R2.2268 COCCCN1[C@@H]([C@@H]1c2ccccc2)C abab34d0ebb34e1a96ac24753315385a [0,1,0,1,0,0|1,0,1]=4 7003 B16R2.2268 CSCCCN1C(C1c2ccccc2)C 6e98c13d3ee27e9875732b92daf5cf74 [0,1,0,1,0,0|1,0,1]=4 7004 B16R2.2268 CSCCCN1[C@@H]([C@@H]1c2ccccc2)C dd84e2b5429928560f074dffc711b6cf [0,1,0,1,0,0|1,0,1]=4 7005 B16R2.2268 C[C@@H]1[C@@H](N1CC=CC#N)c2ccccc2 5193dbb06b7f92f2a3ad765b07e12b8e [0,1,0,1,0,0|0,0,1]=3 7006 B16R2.2268 C[C@@H]1[C@@H](N1CCCC#N)c2ccccc2 9a3429a8b274cbd6636c948f2db55191 [0,1,0,1,0,0|0,0,0]=2 7007 B16R2.2268 C[C@@H]1[C@@H](N1CCCC=O)c2ccccc2 195f9bfc7c7a54e2b0c2243e07a24e29 [0,1,0,1,0,0|1,0,1]=4 7008 B16R2.2268 C[C@@H]1[C@@H](N1CCCCF)c2ccccc2 b97e98d10e535e885a722e4b95560183 [0,1,0,1,0,0|1,0,1]=4 7009 B16R2.2268 C[C@@H]1[C@@H](N1CCCCO)c2ccccc2 e92b35da1970434359b8386248b83f15 [0,1,0,1,0,0|1,0,1]=4 7010 B16R2.2875 C#CCCCNC1Cc2cccnc2C1 c056e9d53aeeccb12dc5edf29c72c417 [0,1,0,1,0,0|2,0,0]=4 7011 B16R2.2875 C#CCCCNC1Cc2ccncc2C1 0c4694b6504997e665bb4d383f1ab24c [0,1,0,1,0,0|2,0,0]=4 7012 B16R2.2875 C#CCCCOC1Cc2ccccc2C1 e9c7dba928be00a9c7e993437730e65e [0,1,0,1,0,0|2,0,0]=4 7013 B16R2.2875 C#CCCNCC1Cc2ccccc2C1 ca7ba5e472fa7fe27e60a129c19c754e [0,1,0,1,0,0|1,0,0]=3 7014 B16R2.2875 C#CCCNCC1Cc2ccccc2O1 50ef7e620adcc0d39ada078e62fb0835 [0,1,0,1,0,0|2,0,0]=4 7015 B16R2.2875 C#CCCOCC1Cc2ccccc2C1 9c3381e396893869c9d07942d481ebb3 [0,1,0,1,0,0|2,0,0]=4 7016 B16R2.2875 C=CCCCNC1Cc2ccccc2C1 41ff9f9e9baf24bb062ebb7c7ad04f15 [0,1,0,1,0,0|1,0,1]=4 7017 B16R2.2875 C=CCCNCC1Cc2ccccc2C1 3fad2ca3817a79c537dc8ec24db18025 [0,1,0,1,0,0|1,0,1]=4 7018 B16R2.2875 C=COCCNC1Cc2ccccc2C1 d49282cd2abdc9f86f141d5295f1cc4a [0,1,0,1,0,0|1,0,1]=4 7019 B16R2.2875 CC#CCCOC1Cc2ccccc2C1 c78bde0d92e6010515d8fd9742bab8c2 [0,1,0,1,0,0|2,0,0]=4 7020 B16R2.2875 CC#CCNCC1Cc2ccccc2C1 b9c5db38723fba218b876c96f27f7062 [0,1,0,1,0,0|1,0,1]=4 7021 B16R2.2875 CCCCNCC1Cc2ccccc2C1 6be41ed35b09cdb7663220c27cf8307f [0,1,0,1,0,0|1,0,1]=4 7022 B16R2.2875 COCCNCC1Cc2ccccc2C1 dde66b61e770a95bccd507fb67aa00e6 [0,1,0,1,0,0|2,0,0]=4 7023 B16R2.2875 CSCCNCC1Cc2ccccc2C1 6c7c30101ff60256b123af681f56e1a0 [0,1,0,1,0,0|2,0,0]=4 7024 B16R2.2875 ClCCCNCC1Cc2ccccc2C1 0ea721777d1216b4575dfc1dd7ae35cb [0,1,0,1,0,0|1,0,1]=4 7025 B16R2.2875 FCCCNCC1Cc2ccccc2C1 5397af8a6a6dc67ae32f4f93426f1933 [0,1,0,1,0,0|1,0,1]=4 7026 B16R2.2875 N#CC=CCNC1Cc2cccnc2C1 0bcd5ebce46caf7820780d424543fc62 [0,1,0,1,0,0|1,0,1]=4 7027 B16R2.2875 N#CC=CCNC1Cc2ccncc2C1 244ae0421fa8aebb5fe215c4aa3eb74e [0,1,0,1,0,0|1,0,1]=4 7028 B16R2.2875 N#CC=CCOC1Cc2ccccc2C1 d89b76f8e079bc870519aaddecef3cbe [0,1,0,1,0,0|1,0,1]=4 7029 B16R2.2875 N#CCCCCN1Cc2ccccc2C1 6041b12af682349cda819f89946468da [0,1,0,1,0,0|2,0,0]=4 7030 B16R2.2875 N#CCCCNC1Cc2cccnc2C1 31c933bf81295eab172de31f1f2b25c2 [0,1,0,1,0,0|1,0,0]=3 7031 B16R2.2875 N#CCCCNC1Cc2ccncc2C1 24a487f1a4bb322c63aebd4a84b82043 [0,1,0,1,0,0|1,0,0]=3 7032 B16R2.2875 N#CCCCOC1Cc2ccccc2C1 7751307bb0475ebd561f7e5a908b0444 [0,1,0,1,0,0|1,0,0]=3 7033 B16R2.2875 N#CCCCOC1Cc2cccnc2C1 0d30ce255c6464fbdc4b267f43039d5b [0,1,0,1,0,0|2,0,0]=4 7034 B16R2.2875 N#CCCNCC1Cc2ccccc2C1 8b6dfb19ef7263e2929fe2fd78c5e6f7 [0,1,0,1,0,0|0,0,0]=2 7035 B16R2.2875 N#CCCNCC1Cc2ccccc2O1 d6eae3217a356d42d9c03c711e8156b8 [0,1,0,1,0,0|1,0,0]=3 7036 B16R2.2875 N#CCCOCC1Cc2ccccc2C1 852db014b86b120fb72922aa854ee4ca [0,1,0,1,0,0|1,0,0]=3 7037 B16R2.2875 N#CCCOCC1Cc2ccccc2O1 3cf893cfda4452ece869c85962609076 [0,1,0,1,0,0|2,0,0]=4 7038 B16R2.2875 N#CCNCCN1Cc2ccccc2C1 b370ed63ccc3ed39ff467a1ffbeaeae6 [0,1,0,1,0,0|2,0,0]=4 7039 B16R2.2875 N#CCOCCN1Cc2ccccc2C1 8d15a8a3b95e64a8d81d3dd19ada1a77 [0,1,0,1,0,0|2,0,0]=4 7040 B16R2.2875 N#CSCNCC1Cc2ccccc2C1 c4a1a99b792307d86c7416679b69bf3e [0,1,0,1,0,0|1,0,0]=3 7041 B16R2.2875 N#CSCNCC1Cc2ccccc2O1 f2d4a007624ee099071dce5b3bc3a11e [0,1,0,1,0,0|2,0,0]=4 7042 B16R2.2875 N#CSCOCC1Cc2ccccc2C1 b6253457201bbaaddc74bb56a44d43de [0,1,0,1,0,0|2,0,0]=4 7043 B16R2.2875 NOCCNCC1Cc2ccccc2C1 4ff8c7c687d526f1b1c1fc597a76c24f [0,1,0,1,0,0|1,0,1]=4 7044 B16R2.2875 O=CCCNCC1Cc2ccccc2C1 5fea2b76d25afb1e974bebc7907fff00 [0,1,0,1,0,0|1,0,1]=4 7045 B16R2.2875 OCCCNCC1Cc2ccccc2C1 a6f44da20526e479cd1ec165942113c5 [0,1,0,1,0,0|1,0,1]=4 7046 B16R2.2875 SCCCNCC1Cc2ccccc2C1 bd245d46b23261c0a0f6c5218ea8f70a [0,1,0,1,0,0|1,0,1]=4 7047 B16R2.6335 C#CCCCN1c2ccccc2CC1C e54882be535a3f1c489907ea1a7f953d [0,1,0,1,0,0|1,0,0]=3 7048 B16R2.6335 C#CCCCN1c2ccccc2C[C@@H]1C d37a0fab76d68c68221e5182de012730 [0,1,0,1,0,0|1,0,0]=3 7049 B16R2.6335 C#CCCCN1c2ccccc2C[C@H]1C c63f790a3a5aa12ba0b20ac88ce2c442 [0,1,0,1,0,0|1,0,0]=3 7050 B16R2.6335 C#CCCCN1c2ncccc2CC1C c891654dba5137a724042ab731dd09c6 [0,1,0,1,0,0|2,0,0]=4 7051 B16R2.6335 C#CCCNC1c2ccccc2CC1O a17807eec85653480dd45d1f420daf0e [0,1,0,1,0,0|2,0,0]=4 7052 B16R2.6335 C#CCCN[C@@H]1c2ccccc2C[C@@H]1O 3c56be95627a123d6c779c5bf7b38f3e [0,1,0,1,0,0|2,0,0]=4 7053 B16R2.6335 C#CCCN[C@@H]1c2ccccc2C[C@H]1O aa7d2f317ee8847a47094460170bfb7e [0,1,0,1,0,0|2,0,0]=4 7054 B16R2.6335 C#CCCN[C@H]1c2ccccc2C[C@@H]1O 2b8e8df873e517ff7579517a8f0b8d2d [0,1,0,1,0,0|2,0,0]=4 7055 B16R2.6335 C#CCCN[C@H]1c2ccccc2C[C@H]1O 9ee2d70d1d5067cccc9d75e9533abd63 [0,1,0,1,0,0|2,0,0]=4 7056 B16R2.6335 C=CCCCN1c2ccccc2CC1C 0237c73598774e6c0e3e667a901d25c8 [0,1,0,1,0,0|1,0,1]=4 7057 B16R2.6335 C=CCCCN1c2ccccc2C[C@@H]1C db49ca5b9c411025d665acd6e211355d [0,1,0,1,0,0|1,0,1]=4 7058 B16R2.6335 C=CCCCN1c2ccccc2C[C@H]1C 8958b4ec1dcf239edbc4dd7d83383f68 [0,1,0,1,0,0|1,0,1]=4 7059 B16R2.6335 CC1Cc2ccccc2N1CC=CC#N 0500ed1c7b410677e6f9e6679ce0e7cc [0,1,0,1,0,0|0,0,1]=3 7060 B16R2.6335 CC1Cc2ccccc2N1CCCC#N d51183b75cbb4045fff18aed0d9312e1 [0,1,0,1,0,0|0,0,0]=2 7061 B16R2.6335 CC1Cc2ccccc2N1CCCC=O b511cefe58677cace59f92b3db14f7ce [0,1,0,1,0,0|1,0,1]=4 7062 B16R2.6335 CC1Cc2ccccc2N1CCCCF b4c9bcf5836efdd2cfa4d2a31650d4d9 [0,1,0,1,0,0|1,0,1]=4 7063 B16R2.6335 CC1Cc2ccccc2N1CCCCO 7fd781c2179d58fc50f769c30ba50223 [0,1,0,1,0,0|1,0,1]=4 7064 B16R2.6335 CC1Cc2cccnc2N1CC=CC#N 12028d0e664c7a18291c980eee3d6288 [0,1,0,1,0,0|1,0,1]=4 7065 B16R2.6335 CC1Cc2cccnc2N1CCCC#N 9fb4bb337358faf4a42c2b0bd748d693 [0,1,0,1,0,0|1,0,0]=3 7066 B16R2.6335 CCCCCN1c2ccccc2CC1C f3186928c239fc6ca8c38a70e369c8e7 [0,1,0,1,0,0|1,0,1]=4 7067 B16R2.6335 CCCCCN1c2ccccc2C[C@@H]1C 889a8717fb0e9545a3fd1016136bbdc6 [0,1,0,1,0,0|1,0,1]=4 7068 B16R2.6335 CCCCCN1c2ccccc2C[C@H]1C 05b84fe0a11a5a2d047eb6adb9b764da [0,1,0,1,0,0|1,0,1]=4 7069 B16R2.6335 CCOCCN1c2ccccc2CC1C 3e6df0c1353ad669182f81a58ca5e3ff [0,1,0,1,0,0|1,0,1]=4 7070 B16R2.6335 CCOCCN1c2ccccc2C[C@@H]1C 37e34489c8c8a445005238b10c3c4a46 [0,1,0,1,0,0|1,0,1]=4 7071 B16R2.6335 CCOCCN1c2ccccc2C[C@H]1C 467b62c8ac3856b96d9d51af4feb7813 [0,1,0,1,0,0|1,0,1]=4 7072 B16R2.6335 COCCCN1c2ccccc2CC1C bbdc51e37993e49af6a46b583884f222 [0,1,0,1,0,0|1,0,1]=4 7073 B16R2.6335 COCCCN1c2ccccc2C[C@@H]1C cb2fda5836a99c75c99b775be3722cd6 [0,1,0,1,0,0|1,0,1]=4 7074 B16R2.6335 COCCCN1c2ccccc2C[C@H]1C 7491f4e444eedaf4a1707086b959d416 [0,1,0,1,0,0|1,0,1]=4 7075 B16R2.6335 CSCCCN1c2ccccc2CC1C b642b6de0879a0a3825c77e68e7f1372 [0,1,0,1,0,0|1,0,1]=4 7076 B16R2.6335 CSCCCN1c2ccccc2C[C@@H]1C 8b93b99450ad66baf70bfbe8b97d8a77 [0,1,0,1,0,0|1,0,1]=4 7077 B16R2.6335 CSCCCN1c2ccccc2C[C@H]1C 827b2bf0c534aa46ad99f982b38d7647 [0,1,0,1,0,0|1,0,1]=4 7078 B16R2.6335 C[C@@H]1Cc2ccccc2N1CC=CC#N 8db2023b3c743547252cf9e3cefca5ef [0,1,0,1,0,0|0,0,1]=3 7079 B16R2.6335 C[C@@H]1Cc2ccccc2N1CCCC#N 17f991d8244605f60515c94007352c5d [0,1,0,1,0,0|0,0,0]=2 7080 B16R2.6335 C[C@@H]1Cc2ccccc2N1CCCC=O c8a96a5d45d46505ba647dd2b49ba8bb [0,1,0,1,0,0|1,0,1]=4 7081 B16R2.6335 C[C@@H]1Cc2ccccc2N1CCCCF 0ef0d59ec771aa49ee7a9b1ffd6d6825 [0,1,0,1,0,0|1,0,1]=4 7082 B16R2.6335 C[C@@H]1Cc2ccccc2N1CCCCO a1ac410b7a9623f7c9cbf3674ec5edae [0,1,0,1,0,0|1,0,1]=4 7083 B16R2.6335 C[C@H]1Cc2ccccc2N1CC=CC#N 6bb8a2bbebcadb7df10b49f1358ac17f [0,1,0,1,0,0|0,0,1]=3 7084 B16R2.6335 C[C@H]1Cc2ccccc2N1CCCC#N c4a358f4a1d15af1cdf02a93de27a997 [0,1,0,1,0,0|0,0,0]=2 7085 B16R2.6335 C[C@H]1Cc2ccccc2N1CCCC=O 2badb1b3eed7e38304dabdb8513aeb00 [0,1,0,1,0,0|1,0,1]=4 7086 B16R2.6335 C[C@H]1Cc2ccccc2N1CCCCF bd48309ba95ead8ea48fbbad392a2cdf [0,1,0,1,0,0|1,0,1]=4 7087 B16R2.6335 C[C@H]1Cc2ccccc2N1CCCCO f4c5580e259b3ab80a46eb08674bce3b [0,1,0,1,0,0|1,0,1]=4 7088 B16R2.6335 Cc1oc2ccccc2c1NCCC#N 9d506f6b8dc43d0b58c0844b84366db5 [0,1,0,1,0,0|1,0,1]=4 7089 B16R2.6335 Cn1nc2ccccc2c1NCCC#N 87da82c9f70da2c2bbc98f0d3ee87682 [0,1,0,1,0,0|2,0,0]=4 7090 B16R2.6335 N#CCCNC1c2ccccc2CC1O 2b9ceb6db8967fd108df5d9878153388 [0,1,0,1,0,0|1,0,0]=3 7091 B16R2.6335 N#CCCN[C@@H]1c2ccccc2C[C@@H]1O 95d6815418b814f192049756f9edc55f [0,1,0,1,0,0|1,0,0]=3 7092 B16R2.6335 N#CCCN[C@@H]1c2ccccc2C[C@H]1O a0922080a95ec173550c08b802c409d0 [0,1,0,1,0,0|1,0,0]=3 7093 B16R2.6335 N#CCCN[C@H]1c2ccccc2C[C@@H]1O b557b93dc91ca9bfe8609bc836ea64fd [0,1,0,1,0,0|1,0,0]=3 7094 B16R2.6335 N#CCCN[C@H]1c2ccccc2C[C@H]1O 7b282f5faa3f81df31ebce3f1dd556dd [0,1,0,1,0,0|1,0,0]=3 7095 B16R2.6335 N#CSCNC1c2ccccc2CC1O 5db07cf5d0141d6bcfe8a0b72b4527bc [0,1,0,1,0,0|2,0,0]=4 7096 B16R2.6335 N#CSCN[C@@H]1c2ccccc2C[C@@H]1O 2b4c30218b59174aa22b0c291b2d43a8 [0,1,0,1,0,0|2,0,0]=4 7097 B16R2.6335 N#CSCN[C@@H]1c2ccccc2C[C@H]1O 1d0dc35f3e17fe3447e3f610be9d4eb9 [0,1,0,1,0,0|2,0,0]=4 7098 B16R2.6335 N#CSCN[C@H]1c2ccccc2C[C@@H]1O 2907f5b266b6aafb813b86065bffafe1 [0,1,0,1,0,0|2,0,0]=4 7099 B16R2.6335 N#CSCN[C@H]1c2ccccc2C[C@H]1O e92c7d25f87e2ec6e20d566fdc9f45f0 [0,1,0,1,0,0|2,0,0]=4 7100 B16R2.10948 CC(Cc1ccccc1)NCC2COC2 07ff4bbe45f1bd746017e21ba501039d [0,1,0,1,0,0|1,0,1]=4 7101 B16R2.12202 C#CCCN1CC(Cc2c1cccc2)C cbc862253ad4afa06ee2cb7f928c64a1 [0,1,0,1,0,0|1,0,0]=3 7102 B16R2.12202 C#CCCN1CC(Cc2c1cccc2)O d180c7f412d43db1c8d2b04871b758d7 [0,1,0,1,0,0|2,0,0]=4 7103 B16R2.12202 C#CCCN1CC(Oc2c1cccc2)C ca80c8851c61b9d90d6abecdc8fb7480 [0,1,0,1,0,0|2,0,0]=4 7104 B16R2.12202 C#CCCN1CC(Sc2c1cccc2)C 8caa5b52d838572b2a05ab5e4d367d5f [0,1,0,1,0,0|2,0,0]=4 7105 B16R2.12202 C#CCCN1C[C@@H](Cc2c1cccc2)O 8bb99fd1bd0d2c6b6938bbcb21e77798 [0,1,0,1,0,0|2,0,0]=4 7106 B16R2.12202 C#CCCN1C[C@H](Cc2c1cccc2)O 61d6f0c6ae522ec0ceae1a2298fcb186 [0,1,0,1,0,0|2,0,0]=4 7107 B16R2.12202 C=CCCN1CC(Cc2c1cccc2)C 1344b4eb6e623e5a17b2c4939f76e141 [0,1,0,1,0,0|1,0,1]=4 7108 B16R2.12202 CC1CN(c2ccccc2O1)CCC#N f377c59642e6c502928343558bc920de [0,1,0,1,0,0|1,0,0]=3 7109 B16R2.12202 CC1CN(c2ccccc2S1)CCC#N 2e2af89c2c182c3159461e62d0f4e5b3 [0,1,0,1,0,0|1,0,0]=3 7110 B16R2.12202 CC1CN(c2ncccc2O1)CCC#N 6f2b2515e98d1da3a5e6e6bd28efcf1a [0,1,0,1,0,0|2,0,0]=4 7111 B16R2.12202 CC1Cc2ccccc2N(C1)CCC#N 19e3aa6490450e0cdc3ff6cda397b111 [0,1,0,1,0,0|0,0,0]=2 7112 B16R2.12202 CC1Cc2ccccc2N(C1)CCC=O 5ee5fa18ae9b6431398cba9f55c7552d [0,1,0,1,0,0|1,0,1]=4 7113 B16R2.12202 CC1Cc2ccccc2N(C1)CCCF edfc3aecf2adba63f616a78812738545 [0,1,0,1,0,0|1,0,1]=4 7114 B16R2.12202 CC1Cc2ccccc2N(C1)CCCO dd3d11223617d9cc569b5446986fc6ed [0,1,0,1,0,0|1,0,1]=4 7115 B16R2.12202 CC1Cc2ccccc2N(C1)CCCS ba1b60d3c41f867e507d43c2c53dfb98 [0,1,0,1,0,0|1,0,1]=4 7116 B16R2.12202 CCCCN1CC(Cc2c1cccc2)C 12a66cc5f5596a7545f7caec1db2017c [0,1,0,1,0,0|1,0,1]=4 7117 B16R2.12202 COCCN1CC(Cc2c1cccc2)C 991226a50e7188bf0f9733f2f591ca3d [0,1,0,1,0,0|2,0,0]=4 7118 B16R2.12202 CSCCN1CC(Cc2c1cccc2)C 196dd3d936f77fe8dabde4b0ce6b614c [0,1,0,1,0,0|2,0,0]=4 7119 B16R2.12202 N#CCCN1CC(Cc2c1cccc2)O de6dd5272e1ac78e37b46416c1360112 [0,1,0,1,0,0|1,0,0]=3 7120 B16R2.12202 N#CCCN1C[C@@H](Cc2c1cccc2)O d8b6cea9367b78a7c449c04b754746bd [0,1,0,1,0,0|1,0,0]=3 7121 B16R2.12202 N#CCCN1C[C@H](Cc2c1cccc2)O 34227f28bdf508a77754040fa3205124 [0,1,0,1,0,0|1,0,0]=3 7122 B16R2.28267 CC1CCN(c2ccccc2S1)CC#N b919c85254ba75ef2832464bff7d60cb [0,1,0,1,0,0|2,0,0]=4 7123 B16R2.2265 N#CCCCN1CCC1c2ccccc2 72cafd5bde37344ad601bcacc8255c19 [0,1,0,1,0,0|2,0,0]=4 7124 B16R2.2272 C#CCCNC1Cc2ccccc2C1=O 73458f491f32a6a3159782305e0a1102 [0,1,0,1,0,0|1,0,1]=4 7125 B16R2.2272 C#CCCNC1Cc2ccccc2C1O af6d0ae11a772dff7aa69f4cf0b19691 [0,1,0,1,0,0|1,0,0]=3 7126 B16R2.2272 C#CCCN[C@@H]1Cc2ccccc2[C@@H]1O a8160b5f28536b3abe9c10e72b344d6a [0,1,0,1,0,0|1,0,0]=3 7127 B16R2.2272 C#CCCN[C@H]1Cc2ccccc2[C@@H]1O a116fc917dc21a3d7d70978d58373e83 [0,1,0,1,0,0|1,0,0]=3 7128 B16R2.2272 C=CCCNC1Cc2ccccc2C1O bacf8abe660791a22237b30d13c5310b [0,1,0,1,0,0|1,0,1]=4 7129 B16R2.2272 C=CCCN[C@@H]1Cc2ccccc2[C@@H]1O 4739e6bc745fc29d175a2eb6b841ab0f [0,1,0,1,0,0|1,0,1]=4 7130 B16R2.2272 C=CCCN[C@H]1Cc2ccccc2[C@@H]1O da8c9a0eedd1f31ff68acf7b0e5a5176 [0,1,0,1,0,0|1,0,1]=4 7131 B16R2.2272 CC#CCNC1Cc2ccccc2C1O c8464b7afb51ca06064864fdee2e7b19 [0,1,0,1,0,0|1,0,1]=4 7132 B16R2.2272 CC#CCN[C@@H]1Cc2ccccc2[C@@H]1O f38c3a0c121636abce6b0f8e5f54e894 [0,1,0,1,0,0|1,0,1]=4 7133 B16R2.2272 CC#CCN[C@H]1Cc2ccccc2[C@@H]1O 5b9d065e983451c99dde05a78d679dbb [0,1,0,1,0,0|1,0,1]=4 7134 B16R2.2272 CCCCNC1Cc2ccccc2C1O 83046ac7a5861cf0188381ba125886bb [0,1,0,1,0,0|1,0,1]=4 7135 B16R2.2272 CCCCN[C@@H]1Cc2ccccc2[C@@H]1O b728efc8d15db2867cf021ae1837fbf9 [0,1,0,1,0,0|1,0,1]=4 7136 B16R2.2272 CCCCN[C@H]1Cc2ccccc2[C@@H]1O adcaee303b44bd4a97aa659ceac23cb6 [0,1,0,1,0,0|1,0,1]=4 7137 B16R2.2272 COCCNC1Cc2ccccc2C1O 323b306134fb74a8dae7175111f67e1e [0,1,0,1,0,0|2,0,0]=4 7138 B16R2.2272 COCCN[C@@H]1Cc2ccccc2[C@@H]1O 99dfcc3fca569d41a100af76ecd8f570 [0,1,0,1,0,0|2,0,0]=4 7139 B16R2.2272 COCCN[C@H]1Cc2ccccc2[C@@H]1O fa0b550205163108fe8c15c233a3ce85 [0,1,0,1,0,0|2,0,0]=4 7140 B16R2.2272 CSCCNC1Cc2ccccc2C1O 3f376e9cf60ec5d70b9fa7e1956444a9 [0,1,0,1,0,0|2,0,0]=4 7141 B16R2.2272 CSCCN[C@@H]1Cc2ccccc2[C@@H]1O 345c698149a05e57041b63a45706b877 [0,1,0,1,0,0|2,0,0]=4 7142 B16R2.2272 CSCCN[C@H]1Cc2ccccc2[C@@H]1O ee2cbc9b3a60161f5cacf7946f5d444c [0,1,0,1,0,0|2,0,0]=4 7143 B16R2.2272 C[C@@H]1c2ccccc2CN1CCCC#N a545bbdb89b4c0938a857d39a742f4a2 [0,1,0,1,0,0|2,0,0]=4 7144 B16R2.2272 C[C@@H]1c2cnccc2C[C@@H]1OCCC#N d0c23826b9ca342b24581450544da5cc [0,1,0,1,0,0|2,0,0]=4 7145 B16R2.2272 Cc1c(sc2c1cccc2)NCCC#N c5d5ce69eefedf60bcdbce991671fac9 [0,1,0,1,0,0|1,0,1]=4 7146 B16R2.2272 Cn1c(cc2c1cccc2)NCCC#N d95fdc0b0f3f280f13908e85d9859172 [0,1,0,1,0,0|0,0,2]=4 7147 B16R2.2272 Cn1c(nc2c1cccc2)NCCC#N 4443a7b1c45906549813827e044c5018 [0,1,0,1,0,0|1,0,1]=4 7148 B16R2.2272 N#CCCNC1Cc2ccccc2C1=O 3f5ecd1407943a3d9ab44759a5840b31 [0,1,0,1,0,0|0,0,1]=3 7149 B16R2.2272 N#CCCNC1Cc2ccccc2C1O d520c8deea0c28e63c688833b2f403b3 [0,1,0,1,0,0|0,0,0]=2 7150 B16R2.2272 N#CCCNC1Cc2cccnc2C1=O afcfa79c00b4dab5158d2749d414587c [0,1,0,1,0,0|1,0,1]=4 7151 B16R2.2272 N#CCCN[C@@H]1Cc2ccccc2[C@@H]1O 7cfce88f737bd6c03c26e69d345de5a9 [0,1,0,1,0,0|0,0,0]=2 7152 B16R2.2272 N#CCCN[C@H]1Cc2ccccc2[C@@H]1O 4a6ba94e0e5726c3de2afecbd2a794df [0,1,0,1,0,0|0,0,0]=2 7153 B16R2.2272 N#CSCNC1Cc2ccccc2C1O 77c481dc87017f8efe398335341e5f74 [0,1,0,1,0,0|1,0,0]=3 7154 B16R2.2272 N#CSCN[C@@H]1Cc2ccccc2[C@@H]1O 60a4fa3a1609b108369e6a6403db272e [0,1,0,1,0,0|1,0,0]=3 7155 B16R2.2272 NOCCNC1Cc2ccccc2C1O 7d040351c1a3b2e5ce0ba6988bf1749e [0,1,0,1,0,0|1,0,1]=4 7156 B16R2.2272 NOCCN[C@@H]1Cc2ccccc2[C@@H]1O a299b785cd2978e133a8aea362617178 [0,1,0,1,0,0|1,0,1]=4 7157 B16R2.2272 NOCCN[C@H]1Cc2ccccc2[C@@H]1O e11e17ac0cfb773c6efeaa950ef9c154 [0,1,0,1,0,0|1,0,1]=4 7158 B16R2.2272 O=CCCNC1Cc2ccccc2C1O efd83ef60c7a7d469826ec7406585c3b [0,1,0,1,0,0|1,0,1]=4 7159 B16R2.2272 O=CCCN[C@@H]1Cc2ccccc2[C@@H]1O 7e386c8a5a30ba7b7e02796a7b6da3fb [0,1,0,1,0,0|1,0,1]=4 7160 B16R2.2272 OC1c2ccccc2CC1NCCCCl f031f86fb63b5bf1956f0feb33da14db [0,1,0,1,0,0|1,0,1]=4 7161 B16R2.2272 OC1c2ccccc2CC1NCCCF 91b2bc5857fd3c854ba15fcaf131b010 [0,1,0,1,0,0|1,0,1]=4 7162 B16R2.2272 OC1c2ccccc2CC1NCCCS cfc0434fb96a716849aa2f603a80451e [0,1,0,1,0,0|1,0,1]=4 7163 B16R2.2272 OCCCNC1Cc2ccccc2C1O 5283a27971fc66df477db7a8be426a85 [0,1,0,1,0,0|1,0,1]=4 7164 B16R2.2272 OCCCN[C@@H]1Cc2ccccc2[C@@H]1O 7d42a4bc9c93bc31d605612bffc1737e [0,1,0,1,0,0|1,0,1]=4 7165 B16R2.2272 OCCCN[C@H]1Cc2ccccc2[C@@H]1O 0840b398564633b60f34521ef0ca4975 [0,1,0,1,0,0|1,0,1]=4 7166 B16R2.2272 O[C@H]1c2ccccc2C[C@@H]1NCCCCl f21229a9d468d9c56d0b0d23c2c75dc3 [0,1,0,1,0,0|1,0,1]=4 7167 B16R2.2272 O[C@H]1c2ccccc2C[C@H]1NCCCCl 942cab345eed7a1cef59a6f492da83dc [0,1,0,1,0,0|1,0,1]=4 7168 B16R2.2272 O[C@H]1c2ccccc2C[C@H]1NCCCF 0ccd6e1d179d3005846f3d3bacd7fd0c [0,1,0,1,0,0|1,0,1]=4 7169 B16R2.2272 O[C@H]1c2ccccc2C[C@H]1NCCCS 9285e0d65f161a9590f5ace8c6e74768 [0,1,0,1,0,0|1,0,1]=4 7170 B16R2.3806 CC1CN(CC1c2ccccc2)CC#N 3fb60d7e7e527167f681408e5b61b260 [0,1,0,1,0,0|2,0,0]=4 7171 B16R2.30799 C#CCCN1c2ccccc2C(C1C)C 4d25431ef5adc4ece188a049e981d168 [0,1,0,1,0,0|1,0,0]=3 7172 B16R2.30799 C=CCCN1c2ccccc2C(C1C)C 4a3857fe0eb2f016d7eac652a9766d41 [0,1,0,1,0,0|1,0,1]=4 7173 B16R2.30799 CC1c2ccccc2N(C1C)CCC#N f6a7c07514e1692e02e45ba380d1ab3e [0,1,0,1,0,0|0,0,0]=2 7174 B16R2.30799 CC1c2ccccc2N(C1C)CCC=O 93e7ff73feff45d721ed0a83bf280bf0 [0,1,0,1,0,0|1,0,1]=4 7175 B16R2.30799 CC1c2ccccc2N(C1C)CCCO d36fc1ea44d044b23bc20d09f88a6cdf [0,1,0,1,0,0|1,0,1]=4 7176 B16R2.30799 CC1c2ccccc2N(C1C)CCCS 63ddbd86d16e119c7aa8f9d3470816c8 [0,1,0,1,0,0|1,0,1]=4 7177 B16R2.30799 CCCCN1c2ccccc2C(C1C)C 21d1d84a523e77cb907165c308fe3384 [0,1,0,1,0,0|1,0,1]=4 7178 B16R2.30799 COCCN1c2ccccc2C(C1C)C 4edf58c203fa9972bd7da7d53c2862bf [0,1,0,1,0,0|2,0,0]=4 7179 B16R2.30799 CSCCN1c2ccccc2C(C1C)C bbd27244ca5b1b9e322a39919575c238 [0,1,0,1,0,0|2,0,0]=4 7180 B16R2.20 Cc1ccc(cc1)CN2CCC(C2)C#N 705f72bfd0c77eef38a427c8ec73759c [0,1,0,1,0,0|2,0,0]=4 7181 B16R2.20 Cc1ccc(cc1)CN2CC[C@@H](C2)C#N 578a79384d216f3cca6fcc4346764b48 [0,1,0,1,0,0|2,0,0]=4 7182 B16R2.20 Cc1ccc(cc1)CN2CC[C@H](C2)C#N 733d79adf553dbc90822b79482f263a1 [0,1,0,1,0,0|2,0,0]=4 7183 B16R2.20 N#CC1CCC(C1)Nc2ccc(cc2)S f04bc4585ab6e693817cc600081f9233 [0,1,0,1,0,0|2,0,0]=4 7184 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)Br 5d0124e6110dd5c140412561b7cd53ab [0,1,0,1,0,0|2,0,0]=4 7185 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)Cl 25e4505175a6ea43a31bbdbcfca370da [0,1,0,1,0,0|2,0,0]=4 7186 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)F 293aa37b736f17890da6decf184aa3f7 [0,1,0,1,0,0|2,0,0]=4 7187 B16R2.20 N#CC1CCN(C1)Cc2ccc(cc2)I 66fc535c65f7b461340cf4330ddb2b7f [0,1,0,1,0,0|2,0,0]=4 7188 B16R2.20 N#C[C@@H]1CCN(C1)Cc2ccc(cc2)Br f81fa3de48b97289eb5bf64366dbe264 [0,1,0,1,0,0|2,0,0]=4 7189 B16R2.20 N#C[C@@H]1CCN(C1)Cc2ccc(cc2)Cl 91059a5133201a98f31b1d82624760f5 [0,1,0,1,0,0|2,0,0]=4 7190 B16R2.20 N#C[C@@H]1CCN(C1)Cc2ccc(cc2)F 29e2a321386af164196590c8c99a340c [0,1,0,1,0,0|2,0,0]=4 7191 B16R2.20 N#C[C@@H]1CCN(C1)Cc2ccc(cc2)I 0a886c7411ccb471d0d158b9d4f74522 [0,1,0,1,0,0|2,0,0]=4 7192 B16R2.20 N#C[C@H]1CCN(C1)Cc2ccc(cc2)Br 6455c09ed96e27c26020672aaad229a7 [0,1,0,1,0,0|2,0,0]=4 7193 B16R2.20 N#C[C@H]1CCN(C1)Cc2ccc(cc2)Cl ca3d3478db0ce1cc20b1825c656ef549 [0,1,0,1,0,0|2,0,0]=4 7194 B16R2.20 N#C[C@H]1CCN(C1)Cc2ccc(cc2)F fb1cac06ea470ab299d6f005d3b32742 [0,1,0,1,0,0|2,0,0]=4 7195 B16R2.20 N#C[C@H]1CCN(C1)Cc2ccc(cc2)I 765eb3491fbb912557868c2257c9c73b [0,1,0,1,0,0|2,0,0]=4 7196 B16R2.62 N#CCN1CC(C1)Cc2ccc(cc2)Br e114fc00231b42ef2597f36f03423a02 [0,1,0,1,0,0|2,0,0]=4 7197 B16R2.133 CC(Cc1ccc(cc1)F)N2CCSC2 e781319dc3680e2267ad7723167cf014 [0,1,0,1,0,0|2,0,0]=4 7198 B16R2.532 C#CCCNC1CC1c2ccc(cc2)Br 7d889a3d2731bfbfaa700d94fce6b1c7 [0,1,0,1,0,0|1,0,0]=3 7199 B16R2.532 C#CCCNC1CC1c2ccc(cc2)Cl 3cc30b4e3c3c8bedfd26be76af5923cf [0,1,0,1,0,0|1,0,0]=3 7200 B16R2.532 C#CCCN[C@@H]1C[C@H]1c2ccc(cc2)Br 102a38a8e0596dbfc72f56cbafdf77a8 [0,1,0,1,0,0|1,0,0]=3 7201 B16R2.532 C#CCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl d4f0ee3f8ae79a75ac72128280c9b9c0 [0,1,0,1,0,0|1,0,0]=3 7202 B16R2.532 C#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F a32e17f5dfdcd316105b729acc7c52f6 [0,1,0,1,0,0|1,0,0]=3 7203 B16R2.532 C#CCCN[C@H]1C[C@@H]1c2ccc(cc2)Br 34c6297c7b990ca4b32b9d7787daeb21 [0,1,0,1,0,0|1,0,0]=3 7204 B16R2.532 C#CCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl 91ca48605f4cb55af283fb77c570ab3f [0,1,0,1,0,0|1,0,0]=3 7205 B16R2.532 C#CCCN[C@H]1C[C@@H]1c2ccc(cc2)F db64c1f61a0c8f091fa7269e0789cb03 [0,1,0,1,0,0|1,0,0]=3 7206 B16R2.532 C=CCCNC1CC1c2ccc(cc2)Br ca8df9e231d70e81d41caf51fba1023c [0,1,0,1,0,0|1,0,1]=4 7207 B16R2.532 C=CCCNC1CC1c2ccc(cc2)Cl 2cc47b283d71aa39cdab316b4b37accf [0,1,0,1,0,0|1,0,1]=4 7208 B16R2.532 C=CCCN[C@@H]1C[C@H]1c2ccc(cc2)Br 0e4f7d34a2a0cafd003ba7ee368abb70 [0,1,0,1,0,0|1,0,1]=4 7209 B16R2.532 C=CCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl fd595d8243b1d5f18fbbbcfc8402c631 [0,1,0,1,0,0|1,0,1]=4 7210 B16R2.532 C=CCCN[C@@H]1C[C@H]1c2ccc(cc2)F a7ecfd588314b00aa2df2a8be4e30a1f [0,1,0,1,0,0|1,0,1]=4 7211 B16R2.532 C=CCCN[C@H]1C[C@@H]1c2ccc(cc2)Br 942280f80fb2105eb94e5a2a78ea09d1 [0,1,0,1,0,0|1,0,1]=4 7212 B16R2.532 C=CCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl db0fc7c8f61b254c9022a68125ca8e11 [0,1,0,1,0,0|1,0,1]=4 7213 B16R2.532 C=CCCN[C@H]1C[C@@H]1c2ccc(cc2)F 37dc1c0cf77c7843b6ca20875d9b2ec6 [0,1,0,1,0,0|1,0,1]=4 7214 B16R2.532 CCCCNC1CC1c2ccc(cc2)Br c090547838e669f3158533e58b6eae52 [0,1,0,1,0,0|1,0,1]=4 7215 B16R2.532 CCCCNC1CC1c2ccc(cc2)Cl 65a390f376691a9f4c60ee15af17b48a [0,1,0,1,0,0|1,0,1]=4 7216 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)Br f4281f013279f487c52127fbf0d96c5b [0,1,0,1,0,0|1,0,1]=4 7217 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl f4eaf26d2002c4e3d58bcc79927e6b1e [0,1,0,1,0,0|1,0,1]=4 7218 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F d49babc8527e7ae1fc8bc1106d1f5f4f [0,1,0,1,0,0|1,0,1]=4 7219 B16R2.532 CCCCN[C@H]1C[C@@H]1c2ccc(cc2)Br 594209178462a8de07d758d05a80f06e [0,1,0,1,0,0|1,0,1]=4 7220 B16R2.532 CCCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl b97c9d2db94f3a53efeeb339c06b3abb [0,1,0,1,0,0|1,0,1]=4 7221 B16R2.532 CCCCN[C@H]1C[C@@H]1c2ccc(cc2)F 6b8346c74f2fef9bea54bb4c37ba1ab6 [0,1,0,1,0,0|1,0,1]=4 7222 B16R2.532 COCCNC1CC1c2ccc(cc2)Br 1f7b13fbd6bfd4e65b040f7957c08bbb [0,1,0,1,0,0|2,0,0]=4 7223 B16R2.532 COCCNC1CC1c2ccc(cc2)Cl 39c70b20ce662e3ac59e032f907c19db [0,1,0,1,0,0|2,0,0]=4 7224 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)Br 6bce172119cbbc9b1a32736912933717 [0,1,0,1,0,0|2,0,0]=4 7225 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl fc44b2ac1c8dae55ba205d971618f9d9 [0,1,0,1,0,0|2,0,0]=4 7226 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)F 6bd79c8fdb064c091c9c17dc4ea029c2 [0,1,0,1,0,0|2,0,0]=4 7227 B16R2.532 COCCN[C@H]1C[C@@H]1c2ccc(cc2)Br 83293d8a894e406276f479b2f80aabf1 [0,1,0,1,0,0|2,0,0]=4 7228 B16R2.532 COCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl 89d04afac7400a9046cfe3588d648a3a [0,1,0,1,0,0|2,0,0]=4 7229 B16R2.532 COCCN[C@H]1C[C@@H]1c2ccc(cc2)F 4efcc8d966e7685f8bbeddb378fd27df [0,1,0,1,0,0|2,0,0]=4 7230 B16R2.532 CSCCNC1CC1c2ccc(cc2)Br ad29830edcca1bb43f9c21f3cd164c13 [0,1,0,1,0,0|2,0,0]=4 7231 B16R2.532 CSCCNC1CC1c2ccc(cc2)Cl bab69ecbc20746fce73993cd53bb1549 [0,1,0,1,0,0|2,0,0]=4 7232 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)Br 3d53407a4ce30a3e8f37be4b18ed4137 [0,1,0,1,0,0|2,0,0]=4 7233 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl 413dd62ca2c39151a371cacf169adb3e [0,1,0,1,0,0|2,0,0]=4 7234 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)F d83dc900820cf1dc3814bc5480d81f1c [0,1,0,1,0,0|2,0,0]=4 7235 B16R2.532 CSCCN[C@H]1C[C@@H]1c2ccc(cc2)Br e790500e0ddf0d7c789220c14fb3db64 [0,1,0,1,0,0|2,0,0]=4 7236 B16R2.532 CSCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl e9bfa72d5fa699ca536357eaee26bea1 [0,1,0,1,0,0|2,0,0]=4 7237 B16R2.532 CSCCN[C@H]1C[C@@H]1c2ccc(cc2)F 16eb316d202034aa9d6698b4199ddd01 [0,1,0,1,0,0|2,0,0]=4 7238 B16R2.532 FCCCNC1CC1c2ccc(cc2)Br e0f00ae150d928b044624a3d9995f65c [0,1,0,1,0,0|1,0,1]=4 7239 B16R2.532 FCCCNC1CC1c2ccc(cc2)Cl 6f787c683cbad85781a933c7260f97ff [0,1,0,1,0,0|1,0,1]=4 7240 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)Br e8d3be2c4b0c362e91772c318d9f92ce [0,1,0,1,0,0|1,0,1]=4 7241 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl ecec435699524ade6a69676f75499787 [0,1,0,1,0,0|1,0,1]=4 7242 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 736d5fb8b51a293b475589046bdb8630 [0,1,0,1,0,0|1,0,1]=4 7243 B16R2.532 FCCCN[C@H]1C[C@@H]1c2ccc(cc2)Br c7505bfde616e6d3a284a5953cd3c2c1 [0,1,0,1,0,0|1,0,1]=4 7244 B16R2.532 FCCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl 9b7b53445fd48383a9558862751d7701 [0,1,0,1,0,0|1,0,1]=4 7245 B16R2.532 FCCCN[C@H]1C[C@@H]1c2ccc(cc2)F 3c219e19c979404123b02fc7f37c23c9 [0,1,0,1,0,0|1,0,1]=4 7246 B16R2.532 Fc1ccc(cc1)[C@@H]2C[C@H]2NCCCS 6a5112445bc2a0433b013a76b1defab0 [0,1,0,1,0,0|1,0,1]=4 7247 B16R2.532 Fc1ccc(cc1)[C@H]2C[C@@H]2NCCCS 198cd5ddc1e97f54e800928e02177a17 [0,1,0,1,0,0|1,0,1]=4 7248 B16R2.532 N#CCCCN1CC1c2ccc(cc2)Cl d62aa4b153f0bd268bb27b5ee890676d [0,1,0,1,0,0|2,0,0]=4 7249 B16R2.532 N#CCCNC1CC1c2ccc(cc2)Br 5d51a4e9a5bb317e7b5fccec1c6aa293 [0,1,0,1,0,0|0,0,0]=2 7250 B16R2.532 N#CCCNC1CC1c2ccc(cc2)Cl 893598e3207bb348cf58d8cd2befd9c2 [0,1,0,1,0,0|0,0,0]=2 7251 B16R2.532 N#CCCN[C@@H]1C[C@H]1c2ccc(cc2)Br 19a998e4bf379569568b22b2a7c093f3 [0,1,0,1,0,0|0,0,0]=2 7252 B16R2.532 N#CCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl 5c3f4be168b09ff7c6616bafe368cc3d [0,1,0,1,0,0|0,0,0]=2 7253 B16R2.532 N#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F bebcfe9de623479a7df25c96dddd383c [0,1,0,1,0,0|0,0,0]=2 7254 B16R2.532 N#CCCN[C@H]1C[C@@H]1c2ccc(cc2)Br dea8fcfdbfb853983d47c450d450a080 [0,1,0,1,0,0|0,0,0]=2 7255 B16R2.532 N#CCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl 783dafe97e89e84cdd399929a4e378e6 [0,1,0,1,0,0|0,0,0]=2 7256 B16R2.532 N#CCCN[C@H]1C[C@@H]1c2ccc(cc2)F 1eb8ba086647833106757f0bcfb666fd [0,1,0,1,0,0|0,0,0]=2 7257 B16R2.532 N#CCOC[C@@H]1C[C@H]1c2ccc(cc2)Cl 6088b5ebb950b402f38f2f12704bcd67 [0,1,0,1,0,0|2,0,0]=4 7258 B16R2.532 N#CCOC[C@H]1C[C@@H]1c2ccc(cc2)Cl 3632d22b7a6c546db8b1c0fbaa9e8baf [0,1,0,1,0,0|2,0,0]=4 7259 B16R2.532 N#CSCNC1CC1c2ccc(cc2)Br 5cd938ee74748da54938d35c46e25894 [0,1,0,1,0,0|1,0,0]=3 7260 B16R2.532 N#CSCNC1CC1c2ccc(cc2)Cl a9a86a50a82f800d5b651e7efcaaa44b [0,1,0,1,0,0|1,0,0]=3 7261 B16R2.532 N#CSCN[C@@H]1C[C@H]1c2ccc(cc2)Br cb88208eeaeaf3b9cae981897d53df4d [0,1,0,1,0,0|1,0,0]=3 7262 B16R2.532 N#CSCN[C@@H]1C[C@H]1c2ccc(cc2)Cl 9181825afd9f11327b95e59c4f2df857 [0,1,0,1,0,0|1,0,0]=3 7263 B16R2.532 N#CSCN[C@@H]1C[C@H]1c2ccc(cc2)F d22d8afdf50e088198cec29fb32378a2 [0,1,0,1,0,0|1,0,0]=3 7264 B16R2.532 N#CSCN[C@H]1C[C@@H]1c2ccc(cc2)Br 508bfed2c443f7153c6caa2e4276745b [0,1,0,1,0,0|1,0,0]=3 7265 B16R2.532 N#CSCN[C@H]1C[C@@H]1c2ccc(cc2)Cl fb76161ca798f4302e8538a71653744f [0,1,0,1,0,0|1,0,0]=3 7266 B16R2.532 N#CSCN[C@H]1C[C@@H]1c2ccc(cc2)F 80ec27cd1b5a490003db675e25d4aedb [0,1,0,1,0,0|1,0,0]=3 7267 B16R2.532 O=CCCNC1CC1c2ccc(cc2)Br 36510b3c9b3e42bafaa19f1f79ee519c [0,1,0,1,0,0|1,0,1]=4 7268 B16R2.532 O=CCCNC1CC1c2ccc(cc2)Cl cb11d68592d6c09eddc1e9cc93f67441 [0,1,0,1,0,0|1,0,1]=4 7269 B16R2.532 O=CCCN[C@@H]1C[C@H]1c2ccc(cc2)Br f94ad1489cf212baa6501447adcf3003 [0,1,0,1,0,0|1,0,1]=4 7270 B16R2.532 O=CCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl ce80e5c7c6895f5327a59e2bec38a188 [0,1,0,1,0,0|1,0,1]=4 7271 B16R2.532 O=CCCN[C@@H]1C[C@H]1c2ccc(cc2)F e2fcbbce5ab57d5d56723636e6ebcf7f [0,1,0,1,0,0|1,0,1]=4 7272 B16R2.532 O=CCCN[C@H]1C[C@@H]1c2ccc(cc2)Br c6885db6ac9382c8f9470d5b5b8e9852 [0,1,0,1,0,0|1,0,1]=4 7273 B16R2.532 O=CCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl 29dfc2c1411698121e5ea440c9dd21c0 [0,1,0,1,0,0|1,0,1]=4 7274 B16R2.532 O=CCCN[C@H]1C[C@@H]1c2ccc(cc2)F 0fbab8f5b0ba3bc43edc52e4fee986d2 [0,1,0,1,0,0|1,0,1]=4 7275 B16R2.532 OCCCNC1CC1c2ccc(cc2)Br 8034822110bb194516969acdf43c2b21 [0,1,0,1,0,0|1,0,1]=4 7276 B16R2.532 OCCCNC1CC1c2ccc(cc2)Cl 639089c584068df576389d24dc8a1b11 [0,1,0,1,0,0|1,0,1]=4 7277 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)Br a0efcf60f7fb191a0f3c3e1916c9d49d [0,1,0,1,0,0|1,0,1]=4 7278 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl acd01565f7ffc6d58a382e119514a563 [0,1,0,1,0,0|1,0,1]=4 7279 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 807c1c619f8e1df03ea914d649be514d [0,1,0,1,0,0|1,0,1]=4 7280 B16R2.532 OCCCN[C@H]1C[C@@H]1c2ccc(cc2)Br 7ae58ee108cfc87e8b688be28f014044 [0,1,0,1,0,0|1,0,1]=4 7281 B16R2.532 OCCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl 5e8523c3dbb43b85fe41b90a3593f586 [0,1,0,1,0,0|1,0,1]=4 7282 B16R2.532 OCCCN[C@H]1C[C@@H]1c2ccc(cc2)F dc76ed5f014d18e3f4d11ea1e95fe9c5 [0,1,0,1,0,0|1,0,1]=4 7283 B16R2.532 SCCCNC1CC1c2ccc(cc2)Br a69bd7923a204cb10ed3d0368242f885 [0,1,0,1,0,0|1,0,1]=4 7284 B16R2.532 SCCCNC1CC1c2ccc(cc2)Cl 6721ff8559ddfd673835cd31b9f3ebb0 [0,1,0,1,0,0|1,0,1]=4 7285 B16R2.532 SCCCN[C@@H]1C[C@H]1c2ccc(cc2)Br 2530b3d5f924357ac57f1eba50f84491 [0,1,0,1,0,0|1,0,1]=4 7286 B16R2.532 SCCCN[C@@H]1C[C@H]1c2ccc(cc2)Cl c4774f5d5c42b4a335bb8aaae734e623 [0,1,0,1,0,0|1,0,1]=4 7287 B16R2.532 SCCCN[C@H]1C[C@@H]1c2ccc(cc2)Br 8510402169453c184ebd1c99daaf7019 [0,1,0,1,0,0|1,0,1]=4 7288 B16R2.532 SCCCN[C@H]1C[C@@H]1c2ccc(cc2)Cl 7f5b0c555ecf55e433b9f996147edb5a [0,1,0,1,0,0|1,0,1]=4 7289 B16R2.1136 CC(Cc1ccc(cc1)F)NC2CC2C c81fc31bef7f9a9de6a2228c74af6156 [0,1,0,1,0,0|1,0,1]=4 7290 B16R2.1136 CC(Cc1ccc(cc1)F)N[C@@H]2C[C@H]2F 1bd177b21c97dd237f2d528320bcdf4b [0,1,0,1,0,0|1,0,1]=4 7291 B16R2.1136 CC(Cc1ccc(cc1)F)N[C@H]2C[C@@H]2F 9c89395ff47ffd18ab26e18c96a15af8 [0,1,0,1,0,0|1,0,1]=4 7292 B16R2.1136 CC(Cc1ccc(cc1)F)N[C@H]2C[C@H]2F 024bf00bab08f1191a264de4c485bf64 [0,1,0,1,0,0|1,0,1]=4 7293 B16R2.2435 C#CCCNC1Cc2cc(cnc2C1)Br bb567ef09adcda20b7df6f693892fd03 [0,1,0,1,0,0|2,0,0]=4 7294 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)Br 23c9fba4f6b90b664900a53f952ecd0b [0,1,0,1,0,0|1,0,0]=3 7295 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)Cl 030b18b1cc29e13f2bb8016b4dc83ff4 [0,1,0,1,0,0|1,0,0]=3 7296 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)F 086733abb6e1c6642124b7bc24ca743f [0,1,0,1,0,0|1,0,0]=3 7297 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)I d0925e925322acacb2f3dbefb4747c1a [0,1,0,1,0,0|1,0,0]=3 7298 B16R2.2435 C#CCCOC1Cc2ccc(cc2C1)Br 7810a154a9ed40e80252f0d7932a0a7c [0,1,0,1,0,0|2,0,0]=4 7299 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Br c7d2dd22d4d7c7c8a5a7216660177e79 [0,1,0,1,0,0|1,0,1]=4 7300 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Cl da26adecfd4ea755b43a63077203bfb7 [0,1,0,1,0,0|1,0,1]=4 7301 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)F 26ecd2da0d942d49fde5ba3b036033dd [0,1,0,1,0,0|1,0,1]=4 7302 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)I 899e429288f52759da1271fe8e1c6475 [0,1,0,1,0,0|1,0,1]=4 7303 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Br 166356f7f4c18594bdfe6741aa546eca [0,1,0,1,0,0|1,0,1]=4 7304 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Cl 884e5bdc12da158c817d284dc87a3510 [0,1,0,1,0,0|1,0,1]=4 7305 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)F 88140665f2c2c793262bc52d619d7562 [0,1,0,1,0,0|1,0,1]=4 7306 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)I c89982ec276c7b72db4ca4e7a3beb63c [0,1,0,1,0,0|1,0,1]=4 7307 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br 31b5e1529d8cacd35a13eab69f41a766 [0,1,0,1,0,0|2,0,0]=4 7308 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Cl 3933f4c9fd43ed7bd956a777bdd3d343 [0,1,0,1,0,0|2,0,0]=4 7309 B16R2.2435 COCCNC1Cc2ccc(cc2C1)F 46ec9d48640ef30a7348cfca1ac0447b [0,1,0,1,0,0|2,0,0]=4 7310 B16R2.2435 COCCNC1Cc2ccc(cc2C1)I 9d31790403a990d5b987ea359b07e377 [0,1,0,1,0,0|2,0,0]=4 7311 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br 8f0c45a7421a52a6ba4df347a74aaa38 [0,1,0,1,0,0|2,0,0]=4 7312 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Cl 8d44c2283dbab399c34e0207bb530f60 [0,1,0,1,0,0|2,0,0]=4 7313 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)F 4e2dc0d422693784558e592135822ad1 [0,1,0,1,0,0|2,0,0]=4 7314 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)I 1295e9a7a1816442716abd0a7e827d39 [0,1,0,1,0,0|2,0,0]=4 7315 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Br 5f5c01c5207b02afd4e7c2735f111e36 [0,1,0,1,0,0|1,0,1]=4 7316 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Cl 7c202a52a03dc8ebd46e586a98a442c5 [0,1,0,1,0,0|1,0,1]=4 7317 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)F 157320a783c4cab73090379b7b937765 [0,1,0,1,0,0|1,0,1]=4 7318 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)I 77ed98116fd819a18cda8d5e26e70c72 [0,1,0,1,0,0|1,0,1]=4 7319 B16R2.2435 Fc1ccc2c(c1)CC(C2)NCCCS 01253afcb4359a7dd8bd7aac50d95038 [0,1,0,1,0,0|1,0,1]=4 7320 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)Br 8ac8e186cdb16b8da47024af7627d269 [0,1,0,1,0,0|2,0,0]=4 7321 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)Cl 64daa6bfc10df46dbc9df979106d89c1 [0,1,0,1,0,0|2,0,0]=4 7322 B16R2.2435 N#CCCCN1Cc2ccc(cc2C1)F 15809f4082ec5170d5277b1a54ac6b00 [0,1,0,1,0,0|2,0,0]=4 7323 B16R2.2435 N#CCCNC1Cc2cc(cnc2C1)Br 39fbf2bd7f394152e37972d606f02ea8 [0,1,0,1,0,0|1,0,0]=3 7324 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Br 4c7a313b32c0a2688a7ed5dd02e4f766 [0,1,0,1,0,0|0,0,0]=2 7325 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Cl bb24a369d97f1d73fde6ff23e3c26c10 [0,1,0,1,0,0|0,0,0]=2 7326 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)F 28c94967cde6bb3a11115e450b7eecb8 [0,1,0,1,0,0|0,0,0]=2 7327 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)I 348d6f0111abebf44314c9385428190c [0,1,0,1,0,0|0,0,0]=2 7328 B16R2.2435 N#CCCOC1Cc2ccc(cc2C1)Br d96a7a2d1e19a1ac2f7876923fcbd6af [0,1,0,1,0,0|1,0,0]=3 7329 B16R2.2435 O=CCCNC1Cc2ccc(cc2C1)Br 1f43904af4e46d74d4b8e857b50630d2 [0,1,0,1,0,0|1,0,1]=4 7330 B16R2.2435 O=CCCNC1Cc2ccc(cc2C1)Cl d23280f7d9e90c8d13fc75807326dd1b [0,1,0,1,0,0|1,0,1]=4 7331 B16R2.2435 O=CCCNC1Cc2ccc(cc2C1)F a56bf165b7ced7464dc4b6849001e2a7 [0,1,0,1,0,0|1,0,1]=4 7332 B16R2.2435 O=CCCNC1Cc2ccc(cc2C1)I de46ff2236c0ae92ab6ead112645fb4d [0,1,0,1,0,0|1,0,1]=4 7333 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Br 775fbb1e8cfd71b752b9d807f29b47e7 [0,1,0,1,0,0|1,0,1]=4 7334 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Cl a7300681c1e7404e82fe1a022bea229b [0,1,0,1,0,0|1,0,1]=4 7335 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)F b572c68afc9ed36e3c85d746debc87bd [0,1,0,1,0,0|1,0,1]=4 7336 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)I 1fef0463af3e3815c9b071d1f7cc8491 [0,1,0,1,0,0|1,0,1]=4 7337 B16R2.2435 SCCCNC1Cc2ccc(cc2C1)Br 4b1e78b92c686e5fcb61eaee467eff83 [0,1,0,1,0,0|1,0,1]=4 7338 B16R2.2435 SCCCNC1Cc2ccc(cc2C1)Cl f779531fb153cc35315dd7a6ecd3b7f8 [0,1,0,1,0,0|1,0,1]=4 7339 B16R2.2435 SCCCNC1Cc2ccc(cc2C1)I 412b90a526b0b02e9546f3f4c689100a [0,1,0,1,0,0|1,0,1]=4 7340 B16R2.33345 CC(Cc1ccc(cc1)F)NCC2CC2 67ddb6ce4659edfd38703968b7fe48be [0,1,0,1,0,0|1,0,1]=4 7341 B16R2.33353 CC(Cc1ccc(cc1)F)NC2CCC2 38f3fb57097551a769e36850a98ecca2 [0,1,0,1,0,0|1,0,1]=4 7342 B16R2.33353 CC(Cc1ccc(cc1)F)NC2COC2 b1a3bac53e63c095627fa5da4bed4a1d [0,1,0,1,0,0|2,0,0]=4 7343 B16R2.166026 Cc1ccc2c(c1)C(C(C2)C)NCC#N 762cddc2bb7c8465d5088ae2ecda7041 [0,1,0,1,0,0|2,0,0]=4 7344 B16R2.253 CC(Cc1cccc(c1)F)N2CCSC2 e36ccc5dd3b271e0782814deb39d3f20 [0,1,0,1,0,0|2,0,0]=4 7345 B16R2.2262 C#CCCNC1CC1c2cccc(c2)F ef13f38049956bad43d08041ad3e1d8d [0,1,0,1,0,0|1,0,0]=3 7346 B16R2.2262 C=CCCNC1CC1c2cccc(c2)F 1a1bc9a7b6e7e0bf62353c971f04bbf8 [0,1,0,1,0,0|1,0,1]=4 7347 B16R2.2262 CCCCNC1CC1c2cccc(c2)F 6ff8eb241c799c950a60a77ef403a0ee [0,1,0,1,0,0|1,0,1]=4 7348 B16R2.2262 COCCNC1CC1c2cccc(c2)F a75616b70aece648d57d1c2bd35f0951 [0,1,0,1,0,0|2,0,0]=4 7349 B16R2.2262 CSCCNC1CC1c2cccc(c2)F 748bb22547244b4d2fb7102dbeb8bbe2 [0,1,0,1,0,0|2,0,0]=4 7350 B16R2.2262 FCCCNC1CC1c2cccc(c2)F 2477db09311f89575d525015642ab240 [0,1,0,1,0,0|1,0,1]=4 7351 B16R2.2262 Fc1cccc(c1)C2CC2NCCCS 424dc024b42c85da16b16ee99ad2e5d3 [0,1,0,1,0,0|1,0,1]=4 7352 B16R2.2262 N#CCCNC1CC1c2cccc(c2)F b870f13ccf40a65ff0c4054d4f2c795b [0,1,0,1,0,0|0,0,0]=2 7353 B16R2.2262 N#CCNC[C@@H]1C[C@H]1c2cccc(c2)F 9e38e295c2bcff325296c03bd0ff67a6 [0,1,0,1,0,0|2,0,0]=4 7354 B16R2.2262 O=CCCNC1CC1c2cccc(c2)F 044f03d30e56388758c6dbeb1f2bc525 [0,1,0,1,0,0|1,0,1]=4 7355 B16R2.2262 OCCCNC1CC1c2cccc(c2)F 630121830d486ead5a277be4dfc03e32 [0,1,0,1,0,0|1,0,1]=4 7356 B16R2.2333 Cc1cccc(c1)CN2CCC(C2)C#N 6078a1e43bc94ed25f56962e19d0e539 [0,1,0,1,0,0|2,0,0]=4 7357 B16R2.2333 Cc1cccc(c1)CN2CC[C@@H](C2)C#N ad60825819953179ad47f699ca22686f [0,1,0,1,0,0|2,0,0]=4 7358 B16R2.2333 Cc1cccc(c1)CN2CC[C@H](C2)C#N 55f0c715621941a99a6d02aecfd039e2 [0,1,0,1,0,0|2,0,0]=4 7359 B16R2.2333 Cc1cccc(c1)NC2CCC(C2)C#N 9450d4d9babf8f083e9b3a66ac96fefe [0,1,0,1,0,0|2,0,0]=4 7360 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)Br d21dbe968ddd6acabbcaa0ed06dc4f95 [0,1,0,1,0,0|2,0,0]=4 7361 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)Cl b2b52f03a5309f1902ddf48c6e95d742 [0,1,0,1,0,0|2,0,0]=4 7362 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)F a398550aafda42c4a8737f3f26d92a17 [0,1,0,1,0,0|2,0,0]=4 7363 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)I 7d9622c0d504b45d72c41f481194ee66 [0,1,0,1,0,0|2,0,0]=4 7364 B16R2.2333 N#C[C@@H]1CCN(C1)Cc2cccc(c2)Br 669f4c9cf219344bcda1c3bfa3e42c29 [0,1,0,1,0,0|2,0,0]=4 7365 B16R2.2333 N#C[C@@H]1CCN(C1)Cc2cccc(c2)Cl bdd6d67954fc26c2e385056535090fa5 [0,1,0,1,0,0|2,0,0]=4 7366 B16R2.2333 N#C[C@@H]1CCN(C1)Cc2cccc(c2)F 1ad34518f4e35b56ccfc11e1e2bd666b [0,1,0,1,0,0|2,0,0]=4 7367 B16R2.2333 N#C[C@@H]1CCN(C1)Cc2cccc(c2)I a2feab4271036b0226c170f6eef9a4a3 [0,1,0,1,0,0|2,0,0]=4 7368 B16R2.2333 N#C[C@H]1CCN(C1)Cc2cccc(c2)Br 70557a545fa546f59861736da53ee6ff [0,1,0,1,0,0|2,0,0]=4 7369 B16R2.2333 N#C[C@H]1CCN(C1)Cc2cccc(c2)Cl 40f05a6466c92880dc070198cb1888da [0,1,0,1,0,0|2,0,0]=4 7370 B16R2.2333 N#C[C@H]1CCN(C1)Cc2cccc(c2)F 263765346f3f513d0728ff70f4973bfa [0,1,0,1,0,0|2,0,0]=4 7371 B16R2.2333 N#C[C@H]1CCN(C1)Cc2cccc(c2)I 440cc7fb23d68a74b38bf4e7a9275000 [0,1,0,1,0,0|2,0,0]=4 7372 B16R2.2440 C#CCCNC1Cc2cccc(c2C1)Br 5d959b7aedad18de1d5099b78fb40ab6 [0,1,0,1,0,0|1,0,0]=3 7373 B16R2.2440 C#CCCNC1Cc2cccc(c2C1)F e7658e1dfbd76c65533c853fb7c22b67 [0,1,0,1,0,0|1,0,0]=3 7374 B16R2.2440 C#CCCOC1Cc2cccc(c2C1)Br 04e2b4e99a107616111749ff57776ae3 [0,1,0,1,0,0|2,0,0]=4 7375 B16R2.2440 C=CCCNC1Cc2cccc(c2C1)Br 3f613eba7532112eb9eca26740fc5d93 [0,1,0,1,0,0|1,0,1]=4 7376 B16R2.2440 C=CCCNC1Cc2cccc(c2C1)F 39d1727d688773b58103d7c45c25ff11 [0,1,0,1,0,0|1,0,1]=4 7377 B16R2.2440 CCCCNC1Cc2cccc(c2C1)Br 1afd94dda9e298c729017efc83c63652 [0,1,0,1,0,0|1,0,1]=4 7378 B16R2.2440 CCCCNC1Cc2cccc(c2C1)F ac28486cff6c89693ccb3171df2f7339 [0,1,0,1,0,0|1,0,1]=4 7379 B16R2.2440 COCCNC1Cc2cccc(c2C1)Br dc33872c820a98040f73240c88f3ebba [0,1,0,1,0,0|2,0,0]=4 7380 B16R2.2440 COCCNC1Cc2cccc(c2C1)F d014387fe5e9261a7b9148be26f00adb [0,1,0,1,0,0|2,0,0]=4 7381 B16R2.2440 CSCCNC1Cc2cccc(c2C1)Br 045a95a245eb0cde7687966b3e3793f3 [0,1,0,1,0,0|2,0,0]=4 7382 B16R2.2440 CSCCNC1Cc2cccc(c2C1)F f479fbd299ad5433950df2c1f91cbdd2 [0,1,0,1,0,0|2,0,0]=4 7383 B16R2.2440 FCCCNC1Cc2cccc(c2C1)Br 2856fe9eb4c341e4c6cc64ea4957eb92 [0,1,0,1,0,0|1,0,1]=4 7384 B16R2.2440 FCCCNC1Cc2cccc(c2C1)F 74d07790051a6e1bd63b8a4b0b296f1a [0,1,0,1,0,0|1,0,1]=4 7385 B16R2.2440 Fc1cccc2c1CC(C2)NCCCS 507c1c2a7b9eda798ee00e353d8e3771 [0,1,0,1,0,0|1,0,1]=4 7386 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)Br deb36f9f8f6e351025d676a44e8aa52f [0,1,0,1,0,0|2,0,0]=4 7387 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)Cl 39301c708908108032457c4628da76c0 [0,1,0,1,0,0|2,0,0]=4 7388 B16R2.2440 N#CCCCN1Cc2cccc(c2C1)F eebb1e4cdace17f680594d0214b4d3e1 [0,1,0,1,0,0|2,0,0]=4 7389 B16R2.2440 N#CCCNC1Cc2cccc(c2C1)Br 5ed8639a49ee63aad672f636ddcbd737 [0,1,0,1,0,0|0,0,0]=2 7390 B16R2.2440 N#CCCNC1Cc2cccc(c2C1)F d3e9e0ee99e21e468d31b3ea195c8ba9 [0,1,0,1,0,0|0,0,0]=2 7391 B16R2.2440 N#CCCOC1Cc2cccc(c2C1)Br 21a20caa7fd85cd7b02ca6f534922e0d [0,1,0,1,0,0|1,0,0]=3 7392 B16R2.2440 N#CSCOC1Cc2cccc(c2C1)Br a8bfc8d6f3d4379c7847aa3107e27546 [0,1,0,1,0,0|2,0,0]=4 7393 B16R2.2440 O=CCCNC1Cc2cccc(c2C1)Br 7a42816fc3fc53e0b105cfd91c658619 [0,1,0,1,0,0|1,0,1]=4 7394 B16R2.2440 O=CCCNC1Cc2cccc(c2C1)F 269e748c074d7c84c2cee11f572a4232 [0,1,0,1,0,0|1,0,1]=4 7395 B16R2.2440 OCCCNC1Cc2cccc(c2C1)Br ac7b74a68f1412d49c82633801c76d8e [0,1,0,1,0,0|1,0,1]=4 7396 B16R2.2440 OCCCNC1Cc2cccc(c2C1)F fe5ad1067d1ce9e83bbff70ee3e9eb53 [0,1,0,1,0,0|1,0,1]=4 7397 B16R2.2440 SCCCNC1Cc2cccc(c2C1)Br 9488ffc806c44332b2406f696912ff1a [0,1,0,1,0,0|1,0,1]=4 7398 B16R2.11918 CC(Cc1cccc(c1)F)NC2CC2C 0045efefe5942c833e5de467879aeeff [0,1,0,1,0,0|1,0,1]=4 7399 B16R2.11918 CC(Cc1cccc(c1)F)N[C@@H]2C[C@H]2F c3fa4e18a0034c160fba327be33fca22 [0,1,0,1,0,0|1,0,1]=4 7400 B16R2.11918 CC(Cc1cccc(c1)F)N[C@H]2C[C@@H]2F f5cc75ce48ad2c9faac7f60e185811db [0,1,0,1,0,0|1,0,1]=4 7401 B16R2.11918 CC(Cc1cccc(c1)F)N[C@H]2C[C@H]2F c42a78d57e08a77a3f0f4138ee0c0ba3 [0,1,0,1,0,0|1,0,1]=4 7402 B16R2.31968 C#CCCN1c2ccc(cc2CC1C)Br 3a201f1f3ac924ec5feaee56e5465a26 [0,1,0,1,0,0|1,0,0]=3 7403 B16R2.31968 C#CCCN1c2ccc(cc2CC1C)C 3bcee8bf0347e0b083a288215ab37f5a [0,1,0,1,0,0|1,0,0]=3 7404 B16R2.31968 C#CCCN1c2ccc(cc2CC1C)F 45313bbb4ee0268304316247fc196d5d [0,1,0,1,0,0|1,0,0]=3 7405 B16R2.31968 C#CCCN1c2ccc(cc2C[C@H]1C)Br 355a0456262bdaeaa64c70a6ed808c76 [0,1,0,1,0,0|1,0,0]=3 7406 B16R2.31968 C=CCCN1c2ccc(cc2CC1C)Br c69bf1297927a18c59a8a29b8dd4e72f [0,1,0,1,0,0|1,0,1]=4 7407 B16R2.31968 C=CCCN1c2ccc(cc2CC1C)C 3d3b867899a5225a8b63833fdba01358 [0,1,0,1,0,0|1,0,1]=4 7408 B16R2.31968 C=CCCN1c2ccc(cc2CC1C)F 2e9db39c8c13669882541ddfb2f873ab [0,1,0,1,0,0|1,0,1]=4 7409 B16R2.31968 C=CCCN1c2ccc(cc2C[C@H]1C)Br 44f046a04fde0f9199e19db9349b9684 [0,1,0,1,0,0|1,0,1]=4 7410 B16R2.31968 CC1Cc2cc(ccc2N1CCC#N)Br d3c6bdf9b05344e167ff6618901e37b8 [0,1,0,1,0,0|0,0,0]=2 7411 B16R2.31968 CC1Cc2cc(ccc2N1CCC#N)F d22556f2d41918165484d917835289bc [0,1,0,1,0,0|0,0,0]=2 7412 B16R2.31968 CC1Cc2cc(ccc2N1CCC=O)Br a7a5a1df3d8a11ddf7153367a524cc63 [0,1,0,1,0,0|1,0,1]=4 7413 B16R2.31968 CC1Cc2cc(ccc2N1CCC=O)F ef6507c7392a0f7f45d9a27c1e04db16 [0,1,0,1,0,0|1,0,1]=4 7414 B16R2.31968 CC1Cc2cc(ccc2N1CCCF)Br e06672069e5789a6525f631ded1cdc8a [0,1,0,1,0,0|1,0,1]=4 7415 B16R2.31968 CC1Cc2cc(ccc2N1CCCF)F 809393e1c49b62951d4533cb85faa2b7 [0,1,0,1,0,0|1,0,1]=4 7416 B16R2.31968 CC1Cc2cc(ccc2N1CCCO)Br d1918dca56a7738068bdb0a3b1e2b38e [0,1,0,1,0,0|1,0,1]=4 7417 B16R2.31968 CC1Cc2cc(ccc2N1CCCO)F d1da7d69af992bf79f85b1654bb4b456 [0,1,0,1,0,0|1,0,1]=4 7418 B16R2.31968 CC1Cc2cc(ccc2N1CCCS)Br a3024dc30d93614990809bc0de8ab696 [0,1,0,1,0,0|1,0,1]=4 7419 B16R2.31968 CC1Cc2cc(ccc2N1CCCS)F c88ace19e3e82a40d496f478a1be677a [0,1,0,1,0,0|1,0,1]=4 7420 B16R2.31968 CC1Cc2cc(ccc2N1CSC#N)F f5ecb6089bb7fca45776b9a91cf478ef [0,1,0,1,0,0|1,0,0]=3 7421 B16R2.31968 CCCCN1c2ccc(cc2CC1C)Br 0662166316e24fd42a03f33401f9c4f7 [0,1,0,1,0,0|1,0,1]=4 7422 B16R2.31968 CCCCN1c2ccc(cc2CC1C)C 71086a77618a0ace7cbc895ae655c3ae [0,1,0,1,0,0|1,0,1]=4 7423 B16R2.31968 CCCCN1c2ccc(cc2CC1C)F 3e99071f594c705b3adf20f184ddafe2 [0,1,0,1,0,0|1,0,1]=4 7424 B16R2.31968 CCCCN1c2ccc(cc2C[C@H]1C)Br 7da5315d4c0be0fa30145a3b08c25884 [0,1,0,1,0,0|1,0,1]=4 7425 B16R2.31968 COCCN1c2ccc(cc2CC1C)Br 8210ae2b6897953461ac422e27e70619 [0,1,0,1,0,0|2,0,0]=4 7426 B16R2.31968 COCCN1c2ccc(cc2CC1C)C feeb997d893b86c5a7117118e0a0e3c1 [0,1,0,1,0,0|2,0,0]=4 7427 B16R2.31968 COCCN1c2ccc(cc2CC1C)F 3627777f4697d12aeab5513068e60ca4 [0,1,0,1,0,0|2,0,0]=4 7428 B16R2.31968 COCCN1c2ccc(cc2C[C@H]1C)Br 121869e664c09088947c3c6a4ac04efd [0,1,0,1,0,0|2,0,0]=4 7429 B16R2.31968 CSCCN1c2ccc(cc2CC1C)Br 23e8ab02e461b8873e99792cb524b4b9 [0,1,0,1,0,0|2,0,0]=4 7430 B16R2.31968 CSCCN1c2ccc(cc2CC1C)C aeba650bc70507700bff6938c2f673c5 [0,1,0,1,0,0|2,0,0]=4 7431 B16R2.31968 CSCCN1c2ccc(cc2CC1C)F e60dca9dc0e7b9b691c8b54186b174cf [0,1,0,1,0,0|2,0,0]=4 7432 B16R2.31968 CSCCN1c2ccc(cc2C[C@H]1C)Br 33b071d24c8acfba3c9d84a743df7d45 [0,1,0,1,0,0|2,0,0]=4 7433 B16R2.31968 C[C@@H]1Cc2cc(ccc2N1CCC#N)Br 189652e358785a47bc375f5e1ad2a433 [0,1,0,1,0,0|0,0,0]=2 7434 B16R2.31968 C[C@@H]1Cc2cc(ccc2N1CCC=O)Br 5d18c1b5ff197f70d56dbe2d6682a0b9 [0,1,0,1,0,0|1,0,1]=4 7435 B16R2.31968 C[C@@H]1Cc2cc(ccc2N1CCCF)Br edc56e39e16a9fdcfc4fdcd60be351c7 [0,1,0,1,0,0|1,0,1]=4 7436 B16R2.31968 C[C@@H]1Cc2cc(ccc2N1CCCO)Br f1a22fcf10c597d3e7321b691a5082d1 [0,1,0,1,0,0|1,0,1]=4 7437 B16R2.31968 C[C@@H]1Cc2cc(ccc2N1CCCS)Br 4f51778eac2ecc6d679f6ef9a7fa4dfb [0,1,0,1,0,0|1,0,1]=4 7438 B16R2.31968 Cc1ccc2c(c1)CC(N2CCC#N)C 3121f6e8a866c0b6b554c74afa024de3 [0,1,0,1,0,0|0,0,0]=2 7439 B16R2.31968 Cc1ccc2c(c1)CC(N2CCC=O)C b762e889f6daf39444db4fb14247175f [0,1,0,1,0,0|1,0,1]=4 7440 B16R2.31968 Cc1ccc2c(c1)CC(N2CCCF)C af3dcf221a9747cbbb39ebd94a01b2f7 [0,1,0,1,0,0|1,0,1]=4 7441 B16R2.31968 Cc1ccc2c(c1)CC(N2CCCO)C 979abb8fcd853474213121e670d7c8d7 [0,1,0,1,0,0|1,0,1]=4 7442 B16R2.31968 Cc1ccc2c(c1)CC(N2CCCS)C 8882dec4242a1bb480b4f2db8be39f79 [0,1,0,1,0,0|1,0,1]=4 7443 B16R2.80725 CC(Cc1cccc(c1)F)NC2CCC2 4190e782a98aa30930e75c881c53d692 [0,1,0,1,0,0|1,0,1]=4 7444 B16R2.113313 CC1Cc2cc(ccc2N(C1)CC#N)Br 136ea021cbaf328f21fcc75f1f4bc70e [0,1,0,1,0,0|2,0,0]=4 7445 B16R2.136607 CC(Cc1cccc(c1)F)NCC2CC2 53c083b935916cfacc678a3d1956518c [0,1,0,1,0,0|1,0,1]=4 7446 B16R2.136607 C[C@@H](Cc1cccc(c1)Cl)NCC2CC2 09236a6279fd3e146b606f6dd18172e3 [0,1,0,1,0,0|1,0,1]=4 7447 B16R2.1056 C#CCCN1Cc2ccccc2CC1C cbe0d1b850596480c04eaec91c88072c [0,1,0,1,0,0|1,0,0]=3 7448 B16R2.1056 C#CCCN1Cc2ccccc2C[C@@H]1C 6ed518d2da829ae233accd84b5f09a04 [0,1,0,1,0,0|1,0,0]=3 7449 B16R2.1056 C#CCCN1Cc2ccccc2C[C@H]1C 15c5c147d5d15d54f37fab1fdf7c0478 [0,1,0,1,0,0|1,0,0]=3 7450 B16R2.1056 C=CCCN1Cc2ccccc2CC1C 4adddf41718d4a11cf807d2478f03e98 [0,1,0,1,0,0|1,0,1]=4 7451 B16R2.1056 C=CCCN1Cc2ccccc2C[C@@H]1C 83e9620784af0ce731c50b945199ceb2 [0,1,0,1,0,0|1,0,1]=4 7452 B16R2.1056 C=CCCN1Cc2ccccc2C[C@H]1C 41447e65c14ace60fd57494b35e4a26b [0,1,0,1,0,0|1,0,1]=4 7453 B16R2.1056 CC1Cc2ccccc2CN1CCC#N fbdda16114119832c26ff1e17363f55e [0,1,0,1,0,0|0,0,0]=2 7454 B16R2.1056 CC1Cc2ccccc2CN1CCC=O b0a612654cc772992d8a40019e4274a7 [0,1,0,1,0,0|1,0,1]=4 7455 B16R2.1056 CC1Cc2ccccc2CN1CCCF 3bd66430d3373177d7c45d033ace7806 [0,1,0,1,0,0|1,0,1]=4 7456 B16R2.1056 CC1Cc2ccccc2CN1CCCO 3058bbeaebc8abc778a53f9b329d9c9a [0,1,0,1,0,0|1,0,1]=4 7457 B16R2.1056 CC1Cc2ccccc2CN1CCCS 6febb3f5a4302588554d7650f045ace6 [0,1,0,1,0,0|1,0,1]=4 7458 B16R2.1056 CC1Cc2ccccc2CN1CSC#N 832adc30096d64b01c97451b639f3152 [0,1,0,1,0,0|1,0,0]=3 7459 B16R2.1056 CCCCN1Cc2ccccc2CC1C 6ac6af147df57987a8311fefb2c40fd1 [0,1,0,1,0,0|1,0,1]=4 7460 B16R2.1056 CCCCN1Cc2ccccc2C[C@@H]1C a6f9ebb665696f852a17eda5ee59c79a [0,1,0,1,0,0|1,0,1]=4 7461 B16R2.1056 CCCCN1Cc2ccccc2C[C@H]1C 4695ff68202e9071d79d866229b2a6b5 [0,1,0,1,0,0|1,0,1]=4 7462 B16R2.1056 COCCN1Cc2ccccc2CC1C f4bfe8c9f57424501e7c6520871ac0d7 [0,1,0,1,0,0|2,0,0]=4 7463 B16R2.1056 COCCN1Cc2ccccc2C[C@@H]1C dd8f9a7a63e60c419104c9b0a26f3fc3 [0,1,0,1,0,0|2,0,0]=4 7464 B16R2.1056 COCCN1Cc2ccccc2C[C@H]1C 643787aab2112093859bd37e6f3eda74 [0,1,0,1,0,0|2,0,0]=4 7465 B16R2.1056 CSCCN1Cc2ccccc2CC1C 7dab70ad02c0059d0baa00ee1398ef7b [0,1,0,1,0,0|2,0,0]=4 7466 B16R2.1056 CSCCN1Cc2ccccc2C[C@@H]1C 49761845b6f5342bb8a077c0c3a814f6 [0,1,0,1,0,0|2,0,0]=4 7467 B16R2.1056 CSCCN1Cc2ccccc2C[C@H]1C e22fa54ba97a852bd44ef4233abd1a8f [0,1,0,1,0,0|2,0,0]=4 7468 B16R2.1056 C[C@@H]1Cc2ccccc2CN1CCC#N 5e179dbf45f333f0b9c73c2be5fe28a3 [0,1,0,1,0,0|0,0,0]=2 7469 B16R2.1056 C[C@@H]1Cc2ccccc2CN1CCC=O 20d808ca7e30dcb4517f04a9da7bf11b [0,1,0,1,0,0|1,0,1]=4 7470 B16R2.1056 C[C@@H]1Cc2ccccc2CN1CCCF e492cce6b34e6f9ca820d02732b0b53c [0,1,0,1,0,0|1,0,1]=4 7471 B16R2.1056 C[C@@H]1Cc2ccccc2CN1CCCO d05a12061bd6e39de8a1c5776f7fdebf [0,1,0,1,0,0|1,0,1]=4 7472 B16R2.1056 C[C@@H]1Cc2ccccc2CN1CCCS dc12b687a8499084e327807013a0a816 [0,1,0,1,0,0|1,0,1]=4 7473 B16R2.1056 C[C@@H]1Cc2ccccc2CN1CSC#N 182f33b247b97a7708f8dd939002eb3f [0,1,0,1,0,0|1,0,0]=3 7474 B16R2.1056 C[C@H]1Cc2ccccc2CN1CCC#N 6eb11c3c66c2c8c64137baa5c9becdf4 [0,1,0,1,0,0|0,0,0]=2 7475 B16R2.1056 C[C@H]1Cc2ccccc2CN1CCC=O b6bff2fb6a53216b3e8df456d1fdc9c8 [0,1,0,1,0,0|1,0,1]=4 7476 B16R2.1056 C[C@H]1Cc2ccccc2CN1CCCF 9706d166a5e6396980af852e776b1a6f [0,1,0,1,0,0|1,0,1]=4 7477 B16R2.1056 C[C@H]1Cc2ccccc2CN1CCCO 7fec912a80e39fffb3407b34ed003f96 [0,1,0,1,0,0|1,0,1]=4 7478 B16R2.1056 C[C@H]1Cc2ccccc2CN1CCCS ed8b473e7f0858522e0a604bb81ca1d3 [0,1,0,1,0,0|1,0,1]=4 7479 B16R2.1056 C[C@H]1Cc2ccccc2CN1CSC#N fd5c926b0fc5228c3a74528aea40da67 [0,1,0,1,0,0|1,0,0]=3 7480 B16R2.1895 CCC1CN(C1)C(C)Cc2ccccc2 7acb9ff070414f4f2eb94f593cbe08eb [0,1,0,1,0,0|1,0,1]=4 7481 B16R2.1895 CN(Cc1ccccc1)C2CC(C2)C#N f661951c682027c865149bbf415e3a2a [0,1,0,1,0,0|2,0,0]=4 7482 B16R2.1895 COC1CN(C1)C(C)Cc2ccccc2 6bba23327bf9a944d9553573d224606b [0,1,0,1,0,0|2,0,0]=4 7483 B16R2.1895 CSC1CN(C1)C(C)Cc2ccccc2 84361b342a9970430d95fe4477e6ec32 [0,1,0,1,0,0|2,0,0]=4 7484 B16R2.2114 C#CCCN(C)[C@@H]1C[C@H]1c2ccccc2 0de8f4d930f64d2c7cf32f089384c1f0 [0,1,0,1,0,0|1,0,0]=3 7485 B16R2.2114 C#CCCN(C)[C@H]1C[C@@H]1c2ccccc2 a5c590b664886db55a6cb7827cef3960 [0,1,0,1,0,0|1,0,0]=3 7486 B16R2.2114 C=CCCN(C)[C@@H]1C[C@H]1c2ccccc2 4a08e1729eae75640dca19ed7263d713 [0,1,0,1,0,0|1,0,1]=4 7487 B16R2.2114 C=CCCN(C)[C@H]1C[C@@H]1c2ccccc2 ec638336b71736501072e7111f28dd72 [0,1,0,1,0,0|1,0,1]=4 7488 B16R2.2114 CCCCN(C)[C@@H]1C[C@H]1c2ccccc2 99a510d882684e708bffc2037ba655e8 [0,1,0,1,0,0|1,0,1]=4 7489 B16R2.2114 CCCCN(C)[C@H]1C[C@@H]1c2ccccc2 975f039271626deb5f944af7c2ee9259 [0,1,0,1,0,0|1,0,1]=4 7490 B16R2.2114 CN(CCC#N)[C@@H]1C[C@H]1c2ccccc2 937fc0a6e7435e16fa3305e7dd8d7d67 [0,1,0,1,0,0|0,0,0]=2 7491 B16R2.2114 CN(CCC#N)[C@H]1C[C@@H]1c2ccccc2 e1eab2ce8c8f119fb08bcbc07dc52d85 [0,1,0,1,0,0|0,0,0]=2 7492 B16R2.2114 CN(CCC=O)[C@@H]1C[C@H]1c2ccccc2 bbe23895e3cfd2d424ab1a59fe5880d2 [0,1,0,1,0,0|1,0,1]=4 7493 B16R2.2114 CN(CCC=O)[C@H]1C[C@@H]1c2ccccc2 2acdae1af283a13b7058c8f2219cc9a4 [0,1,0,1,0,0|1,0,1]=4 7494 B16R2.2114 CN(CCCF)[C@@H]1C[C@H]1c2ccccc2 bb64d8dcedde72ddd76117727f5c34e2 [0,1,0,1,0,0|1,0,1]=4 7495 B16R2.2114 CN(CCCF)[C@H]1C[C@@H]1c2ccccc2 c4634c0b1e88b1e528a908ef0ec58b07 [0,1,0,1,0,0|1,0,1]=4 7496 B16R2.2114 CN(CCCO)[C@@H]1C[C@H]1c2ccccc2 f99630c11ce8f664252e6e96984062ff [0,1,0,1,0,0|1,0,1]=4 7497 B16R2.2114 CN(CCCO)[C@H]1C[C@@H]1c2ccccc2 f05da37ffd110c0c6452c769b9edaa4e [0,1,0,1,0,0|1,0,1]=4 7498 B16R2.2114 CN(CCCS)[C@@H]1C[C@H]1c2ccccc2 60de9df5ed094dee831b37b368b630dc [0,1,0,1,0,0|1,0,1]=4 7499 B16R2.2114 CN(CCCS)[C@H]1C[C@@H]1c2ccccc2 1c08f94f98de9dda94cc7d64e0ab9a3b [0,1,0,1,0,0|1,0,1]=4 7500 B16R2.2114 COCCN(C)[C@@H]1C[C@H]1c2ccccc2 9ef1be7817675f13b4168ded400e0da3 [0,1,0,1,0,0|2,0,0]=4 7501 B16R2.2114 COCCN(C)[C@H]1C[C@@H]1c2ccccc2 e9c1ca0113f581df3083913a52e31215 [0,1,0,1,0,0|2,0,0]=4 7502 B16R2.2114 CSCCN(C)[C@@H]1C[C@H]1c2ccccc2 9257523deca9f5c1e694314d25f0e139 [0,1,0,1,0,0|2,0,0]=4 7503 B16R2.2114 CSCCN(C)[C@H]1C[C@@H]1c2ccccc2 113cd1a007629de224ff09aa5ef9f604 [0,1,0,1,0,0|2,0,0]=4 7504 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 874a1889823e06e789802c4a59901ffb [0,1,0,1,0,0|1,0,1]=4 7505 B16R2.2128 CC(CCC#N)N1Cc2ccccc2C1 d4e1d96929db188ec15e17e0f14e2ca4 [0,1,0,1,0,0|2,0,0]=4 7506 B16R2.2128 N#CCCC(=O)N1Cc2ccccc2C1 acb8cdc6160348d0781503405c747c59 [0,1,0,1,0,0|2,0,0]=4 7507 B16R2.2843 CC1CCN(C1)C(C)Cc2ccccc2 efb6587d1df9264c039fc8db02d8e920 [0,1,0,1,0,0|1,0,1]=4 7508 B16R2.725 C#CCC(=O)N1C[C@@H]1Cc2ccccc2 1d0b8e192127a0bbef74d7a5e7506701 [0,1,0,1,0,0|1,0,1]=4 7509 B16R2.725 N#CCC(=O)N1C[C@@H]1Cc2ccccc2 0fd6991d344a50c4d6725beb6dd97901 [0,1,0,1,0,0|0,0,1]=3 7510 B16R2.734 CC(CC#N)NC1Cc2cccnc2C1 b241e39fb21b81eb18c2b2ebfe7640db [0,1,0,1,0,0|1,0,0]=3 7511 B16R2.734 CC(CC#N)NC1Cc2ccncc2C1 52cfff83137c4d088090aecd7198c138 [0,1,0,1,0,0|1,0,0]=3 7512 B16R2.734 CC(CC#N)OC1Cc2ccccc2C1 a4427b7ef548432e521482c49bdd7a71 [0,1,0,1,0,0|1,0,0]=3 7513 B16R2.734 CC(CC#N)OC1Cc2cccnc2C1 a5d9a0e5b44f4988741b2694df980831 [0,1,0,1,0,0|2,0,0]=4 7514 B16R2.734 CN(CC#N)CC1Cc2ccccc2C1 7b43d0aa3d1c85f1ad83e40472028239 [0,1,0,1,0,0|2,0,0]=4 7515 B16R2.734 N#CCC(=O)NC1Cc2cccnc2C1 fdcf2ea595b2531adf24e99bfa50d823 [0,1,0,1,0,0|1,0,1]=4 7516 B16R2.734 N#CCC(=O)NC1Cc2ccncc2C1 6853d32719c832ae3431bea5f844843a [0,1,0,1,0,0|1,0,1]=4 7517 B16R2.734 N#CCC(O)CN1Cc2ccccc2C1 d6ea4d0074804643c51430e7d5ae1930 [0,1,0,1,0,0|2,0,0]=4 7518 B16R2.734 N#CC[C@@H](O)CN1Cc2ccccc2C1 67ed49eb5fb6f02954bf0732c7fd7324 [0,1,0,1,0,0|2,0,0]=4 7519 B16R2.734 N#CC[C@H](O)CN1Cc2ccccc2C1 82bfba605810d064b1289d149cf2dc35 [0,1,0,1,0,0|2,0,0]=4 7520 B16R2.789 CC(CC#N)NC1CC1c2ccccc2 f74f1002df85e7a2f17f8b179bbe2dc7 [0,1,0,1,0,0|0,0,0]=2 7521 B16R2.789 CC(CC#N)N[C@@H]1C[C@H]1c2ccccc2 ea57d998b1c370427cc5dc438450f1da [0,1,0,1,0,0|0,0,0]=2 7522 B16R2.789 CC(CC#N)N[C@H]1C[C@@H]1c2ccccc2 09816977c969cc627ebcc6ad6cfb4175 [0,1,0,1,0,0|0,0,0]=2 7523 B16R2.789 CC(CC#N)OC1CC1c2ccccc2 7c2c13f4302c1cbb2b6a0d5954fa396a [0,1,0,1,0,0|1,0,0]=3 7524 B16R2.789 CC(CC#N)O[C@@H]1C[C@H]1c2ccccc2 e7a9577bed72843694faf115c761ae93 [0,1,0,1,0,0|1,0,0]=3 7525 B16R2.789 CC(CCO)NC1CC1c2ccccc2 2b5d31d642dd6fbea5a57d684fe38ebb [0,1,0,1,0,0|1,0,1]=4 7526 B16R2.789 CC(CCO)N[C@@H]1C[C@H]1c2ccccc2 3609e8e2676dadc4a4b39685372e7b7c [0,1,0,1,0,0|1,0,1]=4 7527 B16R2.789 CC(CCO)N[C@H]1C[C@@H]1c2ccccc2 f32a1c5c7fb48bf762e7d988440ed47a [0,1,0,1,0,0|1,0,1]=4 7528 B16R2.789 CCCC(C)NC1CC1c2ccccc2 528214e83cd737ab60fd8a4bda2841dc [0,1,0,1,0,0|1,0,1]=4 7529 B16R2.789 CCCC(C)N[C@@H]1C[C@H]1c2ccccc2 eefcffea1a0f80f92392c85a7ecec189 [0,1,0,1,0,0|1,0,1]=4 7530 B16R2.789 CCCC(C)N[C@H]1C[C@@H]1c2ccccc2 782b9f2e29aba3accb08101c7076a107 [0,1,0,1,0,0|1,0,1]=4 7531 B16R2.789 COCC(C)NC1CC1c2ccccc2 0d909839095b10510153eb6c9dec0ded [0,1,0,1,0,0|2,0,0]=4 7532 B16R2.789 COCC(C)N[C@@H]1C[C@H]1c2ccccc2 e1eb7391def47fd77a8996817700e50b [0,1,0,1,0,0|2,0,0]=4 7533 B16R2.789 COCC(C)N[C@H]1C[C@@H]1c2ccccc2 b807d6aabf7ca1e1cf25151ccb0359b0 [0,1,0,1,0,0|2,0,0]=4 7534 B16R2.789 N#CCC(O)CN1CC1c2ccccc2 9705973efe1c222616329e70e7cb97c0 [0,1,0,1,0,0|2,0,0]=4 7535 B16R2.789 N#CCC(O)CN1C[C@@H]1c2ccccc2 6907e2218d12d1a431389ebb09c19c55 [0,1,0,1,0,0|2,0,0]=4 7536 B16R2.789 N#CC[C@@H](O)CN1CC1c2ccccc2 a0bfe2a8dbb1ef5ead718d135b414984 [0,1,0,1,0,0|2,0,0]=4 7537 B16R2.789 N#CC[C@@H](O)CN1C[C@@H]1c2ccccc2 24de9df9793dc0ff173cc9eed7105c93 [0,1,0,1,0,0|2,0,0]=4 7538 B16R2.789 N#CC[C@H](O)CN1CC1c2ccccc2 5bc0eb3a6132e81fef762af151453749 [0,1,0,1,0,0|2,0,0]=4 7539 B16R2.789 N#CC[C@H](O)CN1C[C@@H]1c2ccccc2 6bc5533b9184d64ad995f7291c888e28 [0,1,0,1,0,0|2,0,0]=4 7540 B16R2.789 N#CNC(=O)NC1CC1c2ccccc2 e41abedb39c8b27ff2ec6e2cb98a734a [0,1,0,1,0,0|1,0,1]=4 7541 B16R2.789 N#CNC(=O)N[C@@H]1C[C@H]1c2ccccc2 7bc13db411df3196eca5641fdf4503cc [0,1,0,1,0,0|1,0,1]=4 7542 B16R2.789 N#CNC(=O)N[C@H]1C[C@@H]1c2ccccc2 e16e6c4669b5cec0a20ad363b15a687a [0,1,0,1,0,0|1,0,1]=4 7543 B16R2.789 N#CNC(=S)NC1CC1c2ccccc2 a88e69cddc39de5a2034b78c4dc2c7f2 [0,1,0,1,0,0|1,0,1]=4 7544 B16R2.789 N#CNC(=S)N[C@@H]1C[C@H]1c2ccccc2 c8f327967a8d7219cecb0b85441efaf2 [0,1,0,1,0,0|1,0,1]=4 7545 B16R2.789 N#CNC(=S)N[C@H]1C[C@@H]1c2ccccc2 6b1702370993d78cc397842b59b357b3 [0,1,0,1,0,0|1,0,1]=4 7546 B16R2.2374 N#C[C@H]1CN(C[C@H]1F)Cc2ccccc2 8d03e72b26d5bfcf2de35b9644c5a018 [0,1,0,1,0,0|2,0,0]=4 7547 B16R2.11248 N#CCN1CC(C1)(O)Cc2ccccc2 9f9524b0f068144246095ff2fa0017d4 [0,1,0,1,0,0|2,0,0]=4 7548 B16R2.28951 CC(CC#N)N1C(C1c2ccccc2)C 1cee409efb364ccf5cb6a3c479779866 [0,1,0,1,0,0|0,0,0]=2 7549 B16R2.28951 CC(CC#N)N1[C@@H]([C@@H]1c2ccccc2)C 33d237ced8a9ffabc199c4d6632650c0 [0,1,0,1,0,0|0,0,0]=2 7550 B16R2.28951 CC(CCO)N1C(C1c2ccccc2)C 4f5473898eba5913ecc4b435bfdaa8d2 [0,1,0,1,0,0|1,0,1]=4 7551 B16R2.28951 CC(CCO)N1[C@@H]([C@@H]1c2ccccc2)C 74097292dbe177df4348991309ece1cd [0,1,0,1,0,0|1,0,1]=4 7552 B16R2.28951 CC1C(N1C(=O)NC#N)c2ccccc2 8d880a5082950b118472e71bcc5e0a4c [0,1,0,1,0,0|1,0,1]=4 7553 B16R2.28951 CC1C(N1C(=S)NC#N)c2ccccc2 c37d79ce0d5e645632c1cdb0be3defbe [0,1,0,1,0,0|1,0,1]=4 7554 B16R2.28951 CCCC(C)N1C(C1c2ccccc2)C be4bc4389f90ae5122682c26b936f395 [0,1,0,1,0,0|1,0,1]=4 7555 B16R2.28951 CCCC(C)N1[C@@H]([C@@H]1c2ccccc2)C b6ea595ed66cbc4381d7855aa65b4cb3 [0,1,0,1,0,0|1,0,1]=4 7556 B16R2.28951 COCC(C)N1C(C1c2ccccc2)C e60926e30795a22e4173a30356f6f5f8 [0,1,0,1,0,0|2,0,0]=4 7557 B16R2.28951 COCC(C)N1[C@@H]([C@@H]1c2ccccc2)C f5ecbc1f3cfdc25f1ed1ecc78d415468 [0,1,0,1,0,0|2,0,0]=4 7558 B16R2.28951 C[C@@H]1[C@@H](N1C(=O)NC#N)c2ccccc2 e300bb2a776d05587576ec5f42d214f3 [0,1,0,1,0,0|1,0,1]=4 7559 B16R2.28951 C[C@@H]1[C@@H](N1C(=S)NC#N)c2ccccc2 420d81b2f35e210c9e8975a38753247a [0,1,0,1,0,0|1,0,1]=4 7560 B16R2.29842 CC(CC#N)N1c2ccccc2CC1C e6a1300fddc1da37731aacc8efc06808 [0,1,0,1,0,0|0,0,0]=2 7561 B16R2.29842 CC(CC#N)N1c2ccccc2C[C@@H]1C 6bfd75e9905c2355a9d6f9a16b57321f [0,1,0,1,0,0|0,0,0]=2 7562 B16R2.29842 CC(CC#N)N1c2ccccc2C[C@H]1C 6657c9da697193b4f3cbec8d3f83a587 [0,1,0,1,0,0|0,0,0]=2 7563 B16R2.29842 CC(CC#N)N1c2ncccc2CC1C e0a0b3c897a9f230650cbfa6a79bdc0b [0,1,0,1,0,0|1,0,0]=3 7564 B16R2.29842 CC1Cc2ccccc2N1C(=S)NC#N 09c6383dd10d7095b6e95de1a35b60ec [0,1,0,1,0,0|1,0,1]=4 7565 B16R2.29842 CC1Cc2cccnc2N1C(=O)CC#N 4d83f9fb787be0f97aba0a5bbaef60f6 [0,1,0,1,0,0|1,0,1]=4 7566 B16R2.29842 C[C@@H]1Cc2ccccc2N1C(=S)NC#N 8ae9ce271ce597d4a59c2b25cf63d46b [0,1,0,1,0,0|1,0,1]=4 7567 B16R2.29842 C[C@H]1Cc2ccccc2N1C(=S)NC#N 85a64fe24c19e3e8ac48a06cb2aee91d [0,1,0,1,0,0|1,0,1]=4 7568 B16R2.2 N#CC1CCN(CC1)Cc2ccccc2 ff8a32da4a2d7998dceb9cdfc52ca995 [0,1,0,1,0,0|2,0,0]=4 7569 B16R2.1164 C=C(C#N)CN1C[C@@H]1Cc2ccccc2 905dc0354e5123d39accd692af89b374 [0,1,0,1,0,0|0,0,1]=3 7570 B16R2.1164 CC(CO)CN1C[C@@H]1Cc2ccccc2 167115b7ed848443326793756dfc216b [0,1,0,1,0,0|1,0,1]=4 7571 B16R2.1164 COC(C)CN1C[C@@H]1Cc2ccccc2 76ce12f67bf8f8584808ae7d76491a1b [0,1,0,1,0,0|2,0,0]=4 7572 B16R2.1164 CO[C@@H](C)CN1C[C@@H]1Cc2ccccc2 4ef0a9aaa11e304abd01e3049eb62b9f [0,1,0,1,0,0|2,0,0]=4 7573 B16R2.1164 CO[C@H](C)CN1C[C@@H]1Cc2ccccc2 bb437d56ee8d28e501aaa88c33666288 [0,1,0,1,0,0|2,0,0]=4 7574 B16R2.1164 C[C@@H](CO)CN1C[C@@H]1Cc2ccccc2 f31984aa99f9c72470fc0ca75761377e [0,1,0,1,0,0|1,0,1]=4 7575 B16R2.1164 C[C@H](CO)CN1C[C@@H]1Cc2ccccc2 9a0ddc59b14cfaa4039edf260b52a021 [0,1,0,1,0,0|1,0,1]=4 7576 B16R2.1164 OCC(O)CN1C[C@@H]1Cc2ccccc2 c2dc05ed8dc3b4a3bc517c2828ee0f58 [0,1,0,1,0,0|1,0,1]=4 7577 B16R2.1167 C=C(C#N)CN1C(C1c2ccccc2)C ffc999c5b263ba5bec8b3c1b97d9e181 [0,1,0,1,0,0|0,0,1]=3 7578 B16R2.1167 C=C(C#N)CN1[C@@H]([C@@H]1c2ccccc2)C f4ed0bcf3892c6f4b0aecee900b4c125 [0,1,0,1,0,0|0,0,1]=3 7579 B16R2.1167 CC(C#N)CN1C(C1c2ccccc2)C 488e83bb4b94fbd5cd2dedf2ce01b8a6 [0,1,0,1,0,0|0,0,0]=2 7580 B16R2.1167 CC(C#N)CN1[C@@H]([C@@H]1c2ccccc2)C 3b0385c6e595f11afae6bdb89f836e9b [0,1,0,1,0,0|0,0,0]=2 7581 B16R2.1167 CC(CO)CN1C(C1c2ccccc2)C 9b681770c1592c4e83f0d63adc9f3736 [0,1,0,1,0,0|1,0,1]=4 7582 B16R2.1167 CC(CO)CN1[C@@H]([C@@H]1c2ccccc2)C d3d98f463e465e4db63b2af86c7526c2 [0,1,0,1,0,0|1,0,1]=4 7583 B16R2.1167 CC1C(N1CC(O)CF)c2ccccc2 ea15758c69fdb5daa2f615722f37cb8a [0,1,0,1,0,0|1,0,1]=4 7584 B16R2.1167 CC1C(N1CC(O)CO)c2ccccc2 05a68b0a6db24baccf57646807f19c8b [0,1,0,1,0,0|1,0,1]=4 7585 B16R2.1167 CC1C(N1C[C@@H](C)CO)c2ccccc2 b5d6d2b19281cc8ac4d104b028f46f27 [0,1,0,1,0,0|1,0,1]=4 7586 B16R2.1167 CC1C(N1C[C@@H](O)CO)c2ccccc2 51844ab0fd81778d72521777ba4e8854 [0,1,0,1,0,0|1,0,1]=4 7587 B16R2.1167 CC1C(N1C[C@H](C)CO)c2ccccc2 31a3cd735bb10db53e9d895475084598 [0,1,0,1,0,0|1,0,1]=4 7588 B16R2.1167 CC1C(N1C[C@H](O)CO)c2ccccc2 7cd35687a897df7473d150dadbd4cdc6 [0,1,0,1,0,0|1,0,1]=4 7589 B16R2.1167 CCC(C)CN1C(C1c2ccccc2)C eb93a1753dd5a4e27cb99aee6db2f873 [0,1,0,1,0,0|1,0,1]=4 7590 B16R2.1167 CCC(C)CN1[C@@H]([C@@H]1c2ccccc2)C db0147b085ffd10ce963a97bb2e99360 [0,1,0,1,0,0|1,0,1]=4 7591 B16R2.1167 CCC(O)CN1C(C1c2ccccc2)C 20a2413fc7ec47ba52bcd8d81915d0fc [0,1,0,1,0,0|1,0,1]=4 7592 B16R2.1167 CCC(O)CN1[C@@H]([C@@H]1c2ccccc2)C a6e07bcf8f0fc79f7b224dea3a1a69e9 [0,1,0,1,0,0|1,0,1]=4 7593 B16R2.1167 CC[C@@H](C)CN1C(C1c2ccccc2)C e3b27be3a9071174a8f8873e992cab02 [0,1,0,1,0,0|1,0,1]=4 7594 B16R2.1167 CC[C@@H](C)CN1[C@@H]([C@@H]1c2ccccc2)C 328e543ba233a7e98b8bcddc85bb6eb8 [0,1,0,1,0,0|1,0,1]=4 7595 B16R2.1167 CC[C@H](C)CN1C(C1c2ccccc2)C ec5486490e02b22ea405fa051438e1ba [0,1,0,1,0,0|1,0,1]=4 7596 B16R2.1167 CC[C@H](C)CN1[C@@H]([C@@H]1c2ccccc2)C dc1eb5c3d5df27b6a7e605c1ae775a0c [0,1,0,1,0,0|1,0,1]=4 7597 B16R2.1167 COC(C)CN1C(C1c2ccccc2)C 440b3b6d896aa9aff0c3a73408f56b68 [0,1,0,1,0,0|2,0,0]=4 7598 B16R2.1167 COC(C)CN1[C@@H]([C@@H]1c2ccccc2)C 495137e50cd702a58ebc21f7f2e14773 [0,1,0,1,0,0|2,0,0]=4 7599 B16R2.1167 CO[C@@H](C)CN1C(C1c2ccccc2)C 421a10255e0b1b16daf8fb80298cf9a9 [0,1,0,1,0,0|2,0,0]=4 7600 B16R2.1167 CO[C@@H](C)CN1[C@@H]([C@@H]1c2ccccc2)C 4d19c941065c785fea094702ebf3812c [0,1,0,1,0,0|2,0,0]=4 7601 B16R2.1167 CO[C@H](C)CN1C(C1c2ccccc2)C 2b0fd23715f1faec5e24ec0f191f2cb4 [0,1,0,1,0,0|2,0,0]=4 7602 B16R2.1167 CO[C@H](C)CN1[C@@H]([C@@H]1c2ccccc2)C 04453be2b665fdcee4a835175a5515c6 [0,1,0,1,0,0|2,0,0]=4 7603 B16R2.1167 C[C@@H](CO)CN1[C@@H]([C@@H]1c2ccccc2)C fb6909f61480540532ee34472a91c7bc [0,1,0,1,0,0|1,0,1]=4 7604 B16R2.1167 C[C@@H]1[C@@H](N1CC(O)CF)c2ccccc2 4e8368ab7a1f944bb2b4938de939f1e7 [0,1,0,1,0,0|1,0,1]=4 7605 B16R2.1167 C[C@@H]1[C@@H](N1CC(O)CO)c2ccccc2 9c115eaf5f6c8c52586b69a69b453597 [0,1,0,1,0,0|1,0,1]=4 7606 B16R2.1167 C[C@@H]1[C@@H](N1C[C@@H](O)CO)c2ccccc2 8ac34d91d40a1870d51f9b3dd10788ac [0,1,0,1,0,0|1,0,1]=4 7607 B16R2.1167 C[C@@H]1[C@@H](N1C[C@H](O)CO)c2ccccc2 9b2fb8d39f1ef8cca10815f31683f338 [0,1,0,1,0,0|1,0,1]=4 7608 B16R2.1167 C[C@H](CO)CN1[C@@H]([C@@H]1c2ccccc2)C d3a2daf24cd50c8d10af4fee48ea95a9 [0,1,0,1,0,0|1,0,1]=4 7609 B16R2.1173 C=C(C#N)CNC1CC1c2ccccc2 a1249250b866d02e1c4319b626d34495 [0,1,0,1,0,0|0,0,1]=3 7610 B16R2.1173 C=C(C#N)CN[C@@H]1C[C@H]1c2ccccc2 8a081d8ffce9657e5e1a02d93b77de7b [0,1,0,1,0,0|0,0,1]=3 7611 B16R2.1173 C=C(C#N)CN[C@H]1C[C@@H]1c2ccccc2 9cdd154b251efe0e56e48087a08e07a7 [0,1,0,1,0,0|0,0,1]=3 7612 B16R2.1173 C=C(C#N)COC1CC1c2ccccc2 1416d8641ef4bde9f2873baeeb463589 [0,1,0,1,0,0|1,0,1]=4 7613 B16R2.1173 C=C(C#N)CO[C@@H]1C[C@H]1c2ccccc2 ddb505f005ea3e571caf5c8a3758cc5b [0,1,0,1,0,0|1,0,1]=4 7614 B16R2.1173 CC(C#N)CNC1CC1c2ccccc2 ccdf20bfffe8b258db08ea58eebd132a [0,1,0,1,0,0|0,0,0]=2 7615 B16R2.1173 CC(C#N)CN[C@@H]1C[C@H]1c2ccccc2 43c2bd5d5820af0d01301f51b7407456 [0,1,0,1,0,0|0,0,0]=2 7616 B16R2.1173 CC(C#N)CN[C@H]1C[C@@H]1c2ccccc2 f4ec15ca0e1706ae0eb946c0384282ff [0,1,0,1,0,0|0,0,0]=2 7617 B16R2.1173 CC(C#N)COC1CC1c2ccccc2 bca5b9678c4f4a9a837f71406a7803c1 [0,1,0,1,0,0|1,0,0]=3 7618 B16R2.1173 CC(C#N)CO[C@@H]1C[C@H]1c2ccccc2 c4b60b3ce27b69eaf379fbf3a78449bf [0,1,0,1,0,0|1,0,0]=3 7619 B16R2.1173 CC(CO)CNC1CC1c2ccccc2 3867898b130bc89d5e694ab1e000ffc6 [0,1,0,1,0,0|1,0,1]=4 7620 B16R2.1173 CC(CO)CN[C@@H]1C[C@H]1c2ccccc2 6396fd5077b8b1cae431f8909676adab [0,1,0,1,0,0|1,0,1]=4 7621 B16R2.1173 CC(CO)CN[C@H]1C[C@@H]1c2ccccc2 a5b6f0bf023c46fe53469a373d133160 [0,1,0,1,0,0|1,0,1]=4 7622 B16R2.1173 CCC(C)CNC1CC1c2ccccc2 4bf021de736e27305a955b4f5d55da6a [0,1,0,1,0,0|1,0,1]=4 7623 B16R2.1173 CCC(C)CN[C@@H]1C[C@H]1c2ccccc2 4877412d12ec2f4ef1aa9c68f28387cc [0,1,0,1,0,0|1,0,1]=4 7624 B16R2.1173 CCC(C)CN[C@H]1C[C@@H]1c2ccccc2 5a444434fffed7ed3da71e4e8a1c08ce [0,1,0,1,0,0|1,0,1]=4 7625 B16R2.1173 CCC(O)CNC1CC1c2ccccc2 8f2fccde0470eae2ac88862602eb0c1c [0,1,0,1,0,0|1,0,1]=4 7626 B16R2.1173 CCC(O)CN[C@@H]1C[C@H]1c2ccccc2 9700053f007e0485cc78c27587a9e608 [0,1,0,1,0,0|1,0,1]=4 7627 B16R2.1173 CCC(O)CN[C@H]1C[C@@H]1c2ccccc2 6382f196c888ba0de01cf2026bfe0692 [0,1,0,1,0,0|1,0,1]=4 7628 B16R2.1173 CC[C@@H](C)CNC1CC1c2ccccc2 447abc92fe834310beb548107d1f0795 [0,1,0,1,0,0|1,0,1]=4 7629 B16R2.1173 CC[C@@H](C)CN[C@@H]1C[C@H]1c2ccccc2 4fbf193dbfc2062dd7436a0473671492 [0,1,0,1,0,0|1,0,1]=4 7630 B16R2.1173 CC[C@@H](C)CN[C@H]1C[C@@H]1c2ccccc2 91b3072f2dc7bfd3a49cbe5b1e385a16 [0,1,0,1,0,0|1,0,1]=4 7631 B16R2.1173 CC[C@H](C)CNC1CC1c2ccccc2 0f10582bba4fa2656807e4ca742f856c [0,1,0,1,0,0|1,0,1]=4 7632 B16R2.1173 CC[C@H](C)CN[C@@H]1C[C@H]1c2ccccc2 36738133de026485a1060611506bf107 [0,1,0,1,0,0|1,0,1]=4 7633 B16R2.1173 CC[C@H](C)CN[C@H]1C[C@@H]1c2ccccc2 2344c5f210f12be80494ccacccaa9efd [0,1,0,1,0,0|1,0,1]=4 7634 B16R2.1173 COC(C)CNC1CC1c2ccccc2 4151297d77cb6281ab8f759bde173e42 [0,1,0,1,0,0|2,0,0]=4 7635 B16R2.1173 COC(C)CN[C@@H]1C[C@H]1c2ccccc2 393dfd4018901f369282f53326818abf [0,1,0,1,0,0|2,0,0]=4 7636 B16R2.1173 COC(C)CN[C@H]1C[C@@H]1c2ccccc2 0a2f4824118c9f3a70047d0d6d6d37d1 [0,1,0,1,0,0|2,0,0]=4 7637 B16R2.1173 CO[C@@H](C)CNC1CC1c2ccccc2 cde5cf918b56f7411f9cc3d3e4958879 [0,1,0,1,0,0|2,0,0]=4 7638 B16R2.1173 CO[C@@H](C)CN[C@@H]1C[C@H]1c2ccccc2 fead214dffdeb076ac8f799f0821275f [0,1,0,1,0,0|2,0,0]=4 7639 B16R2.1173 CO[C@@H](C)CN[C@H]1C[C@@H]1c2ccccc2 427eabf6c74149a0174cf7cdc4a3c902 [0,1,0,1,0,0|2,0,0]=4 7640 B16R2.1173 CO[C@H](C)CNC1CC1c2ccccc2 df82805a741c2e5e654c5c0d5c11a737 [0,1,0,1,0,0|2,0,0]=4 7641 B16R2.1173 CO[C@H](C)CN[C@@H]1C[C@H]1c2ccccc2 ced767266890eb2c40b5c3b0b110502f [0,1,0,1,0,0|2,0,0]=4 7642 B16R2.1173 CO[C@H](C)CN[C@H]1C[C@@H]1c2ccccc2 005182da4fcfab61f658e5e1718a6371 [0,1,0,1,0,0|2,0,0]=4 7643 B16R2.1173 C[C@@H](CO)CNC1CC1c2ccccc2 b50f911ffb30bb00fb9a9bbf53664d18 [0,1,0,1,0,0|1,0,1]=4 7644 B16R2.1173 C[C@@H](CO)CN[C@@H]1C[C@H]1c2ccccc2 8d797fb62bb6a068769e0d239857086b [0,1,0,1,0,0|1,0,1]=4 7645 B16R2.1173 C[C@@H](CO)CN[C@H]1C[C@@H]1c2ccccc2 eea7d8f863f55ece79b14639ab6a6e50 [0,1,0,1,0,0|1,0,1]=4 7646 B16R2.1173 C[C@H](CO)CNC1CC1c2ccccc2 0d0d0bb3fa07ed13ec82e52d8e8a45cb [0,1,0,1,0,0|1,0,1]=4 7647 B16R2.1173 C[C@H](CO)CN[C@@H]1C[C@H]1c2ccccc2 ac0549363fd51b47ae84b9a422fcd7b4 [0,1,0,1,0,0|1,0,1]=4 7648 B16R2.1173 C[C@H](CO)CN[C@H]1C[C@@H]1c2ccccc2 298a54566880de622ea975ce24915bae [0,1,0,1,0,0|1,0,1]=4 7649 B16R2.1173 OC(CF)CNC1CC1c2ccccc2 929dbfb10951554326a89e7435ce72a2 [0,1,0,1,0,0|1,0,1]=4 7650 B16R2.1173 OC(CF)CN[C@@H]1C[C@H]1c2ccccc2 a84fe31886518e490249dd6e71903df5 [0,1,0,1,0,0|1,0,1]=4 7651 B16R2.1173 OC(CF)CN[C@H]1C[C@@H]1c2ccccc2 cdedf44bb40dbe8d24edb05c6ea1b20c [0,1,0,1,0,0|1,0,1]=4 7652 B16R2.1173 OCC(O)CNC1CC1c2ccccc2 040c5d33bd147138fe367cbb628876f1 [0,1,0,1,0,0|1,0,1]=4 7653 B16R2.1173 OCC(O)CN[C@@H]1C[C@H]1c2ccccc2 1dbc574fcfc84a339afa2641231961e9 [0,1,0,1,0,0|1,0,1]=4 7654 B16R2.1173 OCC(O)CN[C@H]1C[C@@H]1c2ccccc2 da49e5aea8b0054904ee01b70ed28926 [0,1,0,1,0,0|1,0,1]=4 7655 B16R2.1173 OC[C@@H](O)CNC1CC1c2ccccc2 1bfff4eb18c895560a33bc049afeea12 [0,1,0,1,0,0|1,0,1]=4 7656 B16R2.1173 OC[C@@H](O)CN[C@@H]1C[C@H]1c2ccccc2 174220fff8579f8fcc6290d3670b526f [0,1,0,1,0,0|1,0,1]=4 7657 B16R2.1173 OC[C@@H](O)CN[C@H]1C[C@@H]1c2ccccc2 9ff11c7c9814dfe3d76dca89f597f330 [0,1,0,1,0,0|1,0,1]=4 7658 B16R2.1173 OC[C@H](O)CNC1CC1c2ccccc2 a70a95c8807a8c21f7d95da187721077 [0,1,0,1,0,0|1,0,1]=4 7659 B16R2.1173 OC[C@H](O)CN[C@@H]1C[C@H]1c2ccccc2 8fdf8dbf96f17af8b2bc79c7e40e48ec [0,1,0,1,0,0|1,0,1]=4 7660 B16R2.1173 OC[C@H](O)CN[C@H]1C[C@@H]1c2ccccc2 ac988d24d7a1d1e3f63269d0adafbaae [0,1,0,1,0,0|1,0,1]=4 7661 B16R2.1181 C=C(C#N)CNC1Cc2cccnc2C1 87adeb138246fde47679f1f1d6b5a0a8 [0,1,0,1,0,0|1,0,1]=4 7662 B16R2.1181 C=C(C#N)CNC1Cc2ccncc2C1 377da9542e676005c11df922e8539e22 [0,1,0,1,0,0|1,0,1]=4 7663 B16R2.1181 C=C(C#N)COC1Cc2ccccc2C1 a4479840956b8cc1fbc47545f9061a56 [0,1,0,1,0,0|1,0,1]=4 7664 B16R2.1181 C=CC(O)CNC1Cc2ccccc2C1 488c12103b6852288d06c22190b3a28b [0,1,0,1,0,0|1,0,1]=4 7665 B16R2.1181 CC(C#N)CNC1Cc2cccnc2C1 66051b810a829d9b7e0a613952b74f69 [0,1,0,1,0,0|1,0,0]=3 7666 B16R2.1181 CC(C#N)CNC1Cc2ccncc2C1 d0acebad23425b5a48abde8d34fc2b28 [0,1,0,1,0,0|1,0,0]=3 7667 B16R2.1181 CC(C#N)COC1Cc2ccccc2C1 3db6062696049d3b090cd2dd28287e10 [0,1,0,1,0,0|1,0,0]=3 7668 B16R2.1181 CC(C#N)COC1Cc2cccnc2C1 bbc42cfb02b7292e5b99815deabc4797 [0,1,0,1,0,0|2,0,0]=4 7669 B16R2.1181 CC(C#N)NCC1Cc2ccccc2C1 3467de928d235e867452200c1bcf89f3 [0,1,0,1,0,0|2,0,0]=4 7670 B16R2.1181 OCC(F)CNC1Cc2ccccc2C1 c998e52a27b1471e2dc566dbf8f02ec8 [0,1,0,1,0,0|1,0,1]=4 7671 B16R2.1181 OC[C@@H](F)CNC1Cc2ccccc2C1 5f5bfd59dc9195fdae7da97d55e0948c [0,1,0,1,0,0|1,0,1]=4 7672 B16R2.1181 OC[C@H](F)CNC1Cc2ccccc2C1 382aa0d9b25d93b37ecfcf7dea27ec49 [0,1,0,1,0,0|1,0,1]=4 7673 B16R2.33562 C=C(C#N)CN1c2ccccc2CC1C e7526669c5ece777c09506d35325d005 [0,1,0,1,0,0|0,0,1]=3 7674 B16R2.33562 C=C(C#N)CN1c2ccccc2C[C@@H]1C ddef6df4b8ae5bf6661c16a7f9bca861 [0,1,0,1,0,0|0,0,1]=3 7675 B16R2.33562 C=C(C#N)CN1c2ccccc2C[C@H]1C 81aa6cab2f56fb9b4165227194de9a23 [0,1,0,1,0,0|0,0,1]=3 7676 B16R2.33562 C=C(C#N)CN1c2ncccc2CC1C 53fd994619e33be1a7f7c605c67cfe86 [0,1,0,1,0,0|1,0,1]=4 7677 B16R2.33562 CC(C#N)CN1c2ccccc2CC1C 33865bb344c5325d946e81ffa0272749 [0,1,0,1,0,0|0,0,0]=2 7678 B16R2.33562 CC(C#N)CN1c2ccccc2C[C@@H]1C efa701f7269ecaed161d506d50af7a5c [0,1,0,1,0,0|0,0,0]=2 7679 B16R2.33562 CC(C#N)CN1c2ccccc2C[C@H]1C 3266a8942af158cfca2376ace55d9162 [0,1,0,1,0,0|0,0,0]=2 7680 B16R2.33562 CC(C#N)CN1c2ncccc2CC1C 753b220169eddc589187c35ab4a25a8e [0,1,0,1,0,0|1,0,0]=3 7681 B16R2.33562 CC(CO)CN1c2ccccc2CC1C f8fdd3a1e2a3b13fc8eb2ca10c49840d [0,1,0,1,0,0|1,0,1]=4 7682 B16R2.33562 CC(CO)CN1c2ccccc2C[C@@H]1C 61aa0cd89578cc0251fd8ce14c079cb7 [0,1,0,1,0,0|1,0,1]=4 7683 B16R2.33562 CC(CO)CN1c2ccccc2C[C@H]1C 06aec8fbc9d2e38d0d052d57e24d2a31 [0,1,0,1,0,0|1,0,1]=4 7684 B16R2.33562 CC1Cc2ccccc2N1CC(O)CF 45971f2a4f9d0df3f3890ef2f612e8d6 [0,1,0,1,0,0|1,0,1]=4 7685 B16R2.33562 CC1Cc2ccccc2N1CC(O)CO a090868507d2e2411a0e2afe81f61e60 [0,1,0,1,0,0|1,0,1]=4 7686 B16R2.33562 CC1Cc2ccccc2N1C[C@@H](C)CO 71197d82fae1e4f32f2e4b98d324b52e [0,1,0,1,0,0|1,0,1]=4 7687 B16R2.33562 CC1Cc2ccccc2N1C[C@@H](O)CO b3818b50a4499e6958d028281875e94c [0,1,0,1,0,0|1,0,1]=4 7688 B16R2.33562 CC1Cc2ccccc2N1C[C@H](C)CO f67c7b8aba4307f013e3af5f80445333 [0,1,0,1,0,0|1,0,1]=4 7689 B16R2.33562 CC1Cc2ccccc2N1C[C@H](O)CO f19ebbf2cb63ca9981c678ee086d3170 [0,1,0,1,0,0|1,0,1]=4 7690 B16R2.33562 CCC(C)CN1c2ccccc2CC1C 65ce7c1a5c6a7090dc46be2e101fce89 [0,1,0,1,0,0|1,0,1]=4 7691 B16R2.33562 CCC(C)CN1c2ccccc2C[C@@H]1C 2bfcba2d3a2e1112e765755aa0f3262c [0,1,0,1,0,0|1,0,1]=4 7692 B16R2.33562 CCC(C)CN1c2ccccc2C[C@H]1C f0af4773b1fd803c0d13b6f26b71c2b2 [0,1,0,1,0,0|1,0,1]=4 7693 B16R2.33562 CC[C@H](C)CN1c2ccccc2CC1C 3e0fb68bade95a43a531b50229d04fc9 [0,1,0,1,0,0|1,0,1]=4 7694 B16R2.33562 CC[C@H](C)CN1c2ccccc2C[C@@H]1C 566c5b58bd99dd0aebfc2584648ee9dd [0,1,0,1,0,0|1,0,1]=4 7695 B16R2.33562 CC[C@H](C)CN1c2ccccc2C[C@H]1C 96bc3efea28f13cdaac293f29180a342 [0,1,0,1,0,0|1,0,1]=4 7696 B16R2.33562 COC(C)CN1c2ccccc2CC1C ba7641e7380d10333af2cb4ea2f19a51 [0,1,0,1,0,0|2,0,0]=4 7697 B16R2.33562 COC(C)CN1c2ccccc2C[C@@H]1C ab8e5f980419a258ce9237daa500598e [0,1,0,1,0,0|2,0,0]=4 7698 B16R2.33562 COC(C)CN1c2ccccc2C[C@H]1C 239ae3fbdd4eaf2f4a331c847d2debcb [0,1,0,1,0,0|2,0,0]=4 7699 B16R2.33562 CO[C@@H](C)CN1c2ccccc2CC1C 09a698b800507f9edafa11123ec1694a [0,1,0,1,0,0|2,0,0]=4 7700 B16R2.33562 CO[C@@H](C)CN1c2ccccc2C[C@@H]1C a5f910188101d61f3cc2677e01e12f80 [0,1,0,1,0,0|2,0,0]=4 7701 B16R2.33562 CO[C@@H](C)CN1c2ccccc2C[C@H]1C 7a9b2e69f106900621d0ae874c664fa9 [0,1,0,1,0,0|2,0,0]=4 7702 B16R2.33562 CO[C@H](C)CN1c2ccccc2CC1C 1788e6baf398e3271bce0881d0bc5df6 [0,1,0,1,0,0|2,0,0]=4 7703 B16R2.33562 CO[C@H](C)CN1c2ccccc2C[C@@H]1C 6a02abc0ee5bb8591422b32df63d087c [0,1,0,1,0,0|2,0,0]=4 7704 B16R2.33562 CO[C@H](C)CN1c2ccccc2C[C@H]1C 7a7f9999407d09a4f853ae3feaeef213 [0,1,0,1,0,0|2,0,0]=4 7705 B16R2.33562 C[C@@H](CO)CN1c2ccccc2C[C@@H]1C f9151c7c6a0551e45f796ea34cdd8057 [0,1,0,1,0,0|1,0,1]=4 7706 B16R2.33562 C[C@@H](CO)CN1c2ccccc2C[C@H]1C 8c9b29ce4a7aa59e1cbc4371991f5cd9 [0,1,0,1,0,0|1,0,1]=4 7707 B16R2.33562 C[C@@H]1Cc2ccccc2N1CC(O)CF c6abde81d52ca9730a412f9dab7cee34 [0,1,0,1,0,0|1,0,1]=4 7708 B16R2.33562 C[C@@H]1Cc2ccccc2N1CC(O)CO 90a845e028e9838adbd84cbfc41f9df3 [0,1,0,1,0,0|1,0,1]=4 7709 B16R2.33562 C[C@@H]1Cc2ccccc2N1C[C@@H](O)CO e34cb4708795297f0465878faf95d333 [0,1,0,1,0,0|1,0,1]=4 7710 B16R2.33562 C[C@@H]1Cc2ccccc2N1C[C@H](O)CO a13c2afb74d9ccc55e1350df23883553 [0,1,0,1,0,0|1,0,1]=4 7711 B16R2.33562 C[C@H](CO)CN1c2ccccc2C[C@@H]1C af0163ca03f27bd7bbaf28e80fe21129 [0,1,0,1,0,0|1,0,1]=4 7712 B16R2.33562 C[C@H](CO)CN1c2ccccc2C[C@H]1C f8f9bb5d974cbdaaddbdde8c7166ce1e [0,1,0,1,0,0|1,0,1]=4 7713 B16R2.33562 C[C@H]1Cc2ccccc2N1CC(O)CF a61a29e104be86f6858692fc35a51e2b [0,1,0,1,0,0|1,0,1]=4 7714 B16R2.33562 C[C@H]1Cc2ccccc2N1CC(O)CO dc63ceeabde75bd1cb818e1509547681 [0,1,0,1,0,0|1,0,1]=4 7715 B16R2.33562 C[C@H]1Cc2ccccc2N1C[C@@H](O)CO f0df0e25d9e022d6c960d345f11445d0 [0,1,0,1,0,0|1,0,1]=4 7716 B16R2.33562 C[C@H]1Cc2ccccc2N1C[C@H](O)CO e67c0d96cfe19a1349030f4b23401b09 [0,1,0,1,0,0|1,0,1]=4 7717 B16R2.101 OC[C@H](Cc1ccccc1)N2CCSC2 594919d72aed09a4e25af6c61e97f183 [0,1,0,1,0,0|2,0,0]=4 7718 B16R2.112 C#CCCN1c2ccccc2CC1CO 510a843269125e0445cccc7f102164f0 [0,1,0,1,0,0|1,0,0]=3 7719 B16R2.112 C#CCCN1c2ccccc2C[C@@H]1CO f03390aa288588201aa514b1dac16726 [0,1,0,1,0,0|1,0,0]=3 7720 B16R2.112 C#CCCN1c2ccccc2C[C@H]1CO b28b141d1a294ca48b28d20c7b5150c9 [0,1,0,1,0,0|1,0,0]=3 7721 B16R2.112 C=CCCN1c2ccccc2CC1CO 144b55479fc4898bc0a721c77365bcab [0,1,0,1,0,0|1,0,1]=4 7722 B16R2.112 C=CCCN1c2ccccc2C[C@@H]1CO 25d52dddd915e324a1ae0d5727662410 [0,1,0,1,0,0|1,0,1]=4 7723 B16R2.112 C=CCCN1c2ccccc2C[C@H]1CO e68a5ac62778ddf1e81331dcbd84f5c1 [0,1,0,1,0,0|1,0,1]=4 7724 B16R2.112 CCCCN1c2ccccc2CC1CO 094f754f36704fcc4a27f0e59a1b8ec5 [0,1,0,1,0,0|1,0,1]=4 7725 B16R2.112 CCCCN1c2ccccc2C[C@@H]1CO 285b634eed83c070d24fa448974dfaac [0,1,0,1,0,0|1,0,1]=4 7726 B16R2.112 CCCCN1c2ccccc2C[C@H]1CO 3aaa5c9ddd6d128eb149fd74307a864e [0,1,0,1,0,0|1,0,1]=4 7727 B16R2.112 COCCN1c2ccccc2CC1CO e02849e5dfbec8ab71f112fbc1f852e6 [0,1,0,1,0,0|2,0,0]=4 7728 B16R2.112 COCCN1c2ccccc2C[C@@H]1CO 63b02370ddc85f93916858d9d6fc5e3a [0,1,0,1,0,0|2,0,0]=4 7729 B16R2.112 COCCN1c2ccccc2C[C@H]1CO 79cc0b7c1607357c23bdae25686e50f5 [0,1,0,1,0,0|2,0,0]=4 7730 B16R2.112 CSCCN1c2ccccc2CC1CO 06f266cca33e06ae4f53f711d937d6e8 [0,1,0,1,0,0|2,0,0]=4 7731 B16R2.112 CSCCN1c2ccccc2C[C@@H]1CO 1693f2531c71c3aa691360058f51425a [0,1,0,1,0,0|2,0,0]=4 7732 B16R2.112 CSCCN1c2ccccc2C[C@H]1CO 9cf6440ced5033afe37d09e51c758528 [0,1,0,1,0,0|2,0,0]=4 7733 B16R2.112 N#CCCN1c2ccccc2CC1CO 7dfcad6c1f7b58287f42cfc38071e922 [0,1,0,1,0,0|0,0,0]=2 7734 B16R2.112 N#CCCN1c2ccccc2C[C@@H]1CO 1ea7d8447df40d93cd34111f119249b6 [0,1,0,1,0,0|0,0,0]=2 7735 B16R2.112 N#CCCN1c2ccccc2C[C@H]1CO 3e66bcef946cdc7687ca003681a43253 [0,1,0,1,0,0|0,0,0]=2 7736 B16R2.112 N#CCN[C@H]1c2ccccc2C[C@H]1CO 17d8ed7fffc22ace77b2a179f5b8d1ea [0,1,0,1,0,0|2,0,0]=4 7737 B16R2.112 O=CCCN1c2ccccc2CC1CO 897d187ef495a4c0c83735e225376d7a [0,1,0,1,0,0|1,0,1]=4 7738 B16R2.112 O=CCCN1c2ccccc2C[C@@H]1CO 6a9554d4a0cfd8d10cc21f4727c23222 [0,1,0,1,0,0|1,0,1]=4 7739 B16R2.112 O=CCCN1c2ccccc2C[C@H]1CO b168dc1799010ebd18319be80cf56202 [0,1,0,1,0,0|1,0,1]=4 7740 B16R2.112 OCC1Cc2ccccc2N1CCCF 8afc77cfa62f118812296c3b3d9747ac [0,1,0,1,0,0|1,0,1]=4 7741 B16R2.112 OCC1Cc2ccccc2N1CCCS a046ba798381a03a42d23c07925549aa [0,1,0,1,0,0|1,0,1]=4 7742 B16R2.112 OCCCN1c2ccccc2CC1CO 98e35b728eadd5cff15e13e5beec5442 [0,1,0,1,0,0|1,0,1]=4 7743 B16R2.112 OCCCN1c2ccccc2C[C@@H]1CO f46e44ed074a722a79ac79d38898b85b [0,1,0,1,0,0|1,0,1]=4 7744 B16R2.112 OCCCN1c2ccccc2C[C@H]1CO 591e35b5dabcd64e75b82eda4635c201 [0,1,0,1,0,0|1,0,1]=4 7745 B16R2.112 OC[C@@H]1Cc2ccccc2N1CCCF aea8f9e25291f2cbc9b73f3594696745 [0,1,0,1,0,0|1,0,1]=4 7746 B16R2.112 OC[C@@H]1Cc2ccccc2N1CCCS 4360969cd6099df9d0e367aad4f2ed89 [0,1,0,1,0,0|1,0,1]=4 7747 B16R2.112 OC[C@H]1Cc2ccccc2N1CCCF bdb719dd9f0599d59cfb3a91ebe0f5e8 [0,1,0,1,0,0|1,0,1]=4 7748 B16R2.112 OC[C@H]1Cc2ccccc2N1CCCS f968529c235c70625cfe19642ace3111 [0,1,0,1,0,0|1,0,1]=4 7749 B16R2.676 CCC(Cc1ccccc1)NCC2CC2 cbc24acd436c3f87d0cc008bb18b64c8 [0,1,0,1,0,0|1,0,1]=4 7750 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 52bfc8194bdfd677a3ea706428635a09 [0,1,0,1,0,0|1,0,1]=4 7751 B16R2.676 OC[C@@H](Cc1ccccc1)NCC2CC2 6ba8a0d48f453581a6dd422f02c47175 [0,1,0,1,0,0|1,0,1]=4 7752 B16R2.676 OC[C@H](Cc1ccccc1)NCC2CC2 b892ff0ea086224f6d26dfb803d483f7 [0,1,0,1,0,0|1,0,1]=4 7753 B16R2.2107 C#CCCNC1(CC1)Cc2ccccc2 f5d8cb24f0275483552fc213eaf75779 [0,1,0,1,0,0|1,0,0]=3 7754 B16R2.2107 C=CCCNC1(CC1)Cc2ccccc2 4a20670c6ada2c85742ae53bc5b334f6 [0,1,0,1,0,0|1,0,1]=4 7755 B16R2.2107 CCCCNC1(CC1)Cc2ccccc2 1a7db3ef69d2b168840ef03d17ce6082 [0,1,0,1,0,0|1,0,1]=4 7756 B16R2.2107 COCCNC1(CC1)Cc2ccccc2 d82a31cbd43e6a6a4add6c6bbda8f7a6 [0,1,0,1,0,0|2,0,0]=4 7757 B16R2.2107 CSCCNC1(CC1)Cc2ccccc2 c6dc4a9c55c5c66dd48816c13d14c636 [0,1,0,1,0,0|2,0,0]=4 7758 B16R2.2107 FCCCNC1(CC1)Cc2ccccc2 ac68ea0682e8567014907e435be1c12d [0,1,0,1,0,0|1,0,1]=4 7759 B16R2.2107 N#CCCNC1(CC1)Cc2ccccc2 2a986c6ce22bfb61617813763d0dedbf [0,1,0,1,0,0|0,0,0]=2 7760 B16R2.2107 O=CCCNC1(CC1)Cc2ccccc2 0bb9dd9cc84fce079cbc4c845a3ecead [0,1,0,1,0,0|1,0,1]=4 7761 B16R2.2107 OCCCNC1(CC1)Cc2ccccc2 227f450e7ebee07d39af0bb9a196f8e7 [0,1,0,1,0,0|1,0,1]=4 7762 B16R2.2107 SCCCNC1(CC1)Cc2ccccc2 54ee6e9a84779a0354ded701b69c4748 [0,1,0,1,0,0|1,0,1]=4 7763 B16R2.29082 CCC(Cc1ccccc1)NC2CCC2 85384be16fb1a57c80c51b1de1778c01 [0,1,0,1,0,0|1,0,1]=4 7764 B16R2.51757 N#CCN1CC(Cc2c1cccc2)CO 0bdd330a2ee3b11b699f2651117aa076 [0,1,0,1,0,0|2,0,0]=4 7765 B16R2.492 CS(=O)CCNC1Cc2ccccc2C1 a4519cb20571653e063ba2d45b5bb99f [0,1,0,1,0,0|2,0,0]=4 7766 B16R2.492 FC(F)CCNC1Cc2ccccc2C1 cd02c7b54ad9b00005fc35f3d4512770 [0,1,0,1,0,0|1,0,1]=4 7767 B16R2.1326 CC(=O)CCN1C[C@@H]1Cc2ccccc2 eb9d151a4b7379df4488aa2b63501c8e [0,1,0,1,0,0|1,0,1]=4 7768 B16R2.1326 CC(C)CCN1C[C@@H]1Cc2ccccc2 d20860e1e130644ef2c7199df50c469f [0,1,0,1,0,0|1,0,1]=4 7769 B16R2.1326 CS(=O)CCN1C[C@@H]1Cc2ccccc2 499f2f8b2d32102a2689f36985f02c45 [0,1,0,1,0,0|2,0,0]=4 7770 B16R2.1326 NC(=O)CCN1C[C@@H]1Cc2ccccc2 f5ec366125859ca8a5c27d52dbb654c2 [0,1,0,1,0,0|0,0,2]=4 7771 B16R2.1330 C=C(C)CCNC1CC1c2ccccc2 ffcc8df2b64a7f46140817ee1e788390 [0,1,0,1,0,0|1,0,1]=4 7772 B16R2.1330 C=C(C)CCN[C@@H]1C[C@H]1c2ccccc2 84396adbe067a0734631e18b7dd9f912 [0,1,0,1,0,0|1,0,1]=4 7773 B16R2.1330 C=C(C)CCN[C@H]1C[C@@H]1c2ccccc2 e06cd7a9294d18a05b9e1a1f8935bdca [0,1,0,1,0,0|1,0,1]=4 7774 B16R2.1330 CC(=O)CCNC1CC1c2ccccc2 44809aa245702c2542fef942356fdfa3 [0,1,0,1,0,0|1,0,1]=4 7775 B16R2.1330 CC(=O)CCN[C@@H]1C[C@H]1c2ccccc2 1bcf028ef3967fda3bf58f31cc5a41a9 [0,1,0,1,0,0|1,0,1]=4 7776 B16R2.1330 CC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 9706561b4e4b13be5ad873e946ffcd82 [0,1,0,1,0,0|1,0,1]=4 7777 B16R2.1330 CC(C)CCNC1CC1c2ccccc2 c705604088505d372aec4ad660da01e6 [0,1,0,1,0,0|1,0,1]=4 7778 B16R2.1330 CC(C)CCN[C@@H]1C[C@H]1c2ccccc2 19b15acab5d2440334f2e6fe2fe3bf12 [0,1,0,1,0,0|1,0,1]=4 7779 B16R2.1330 CC(C)CCN[C@H]1C[C@@H]1c2ccccc2 29881fd07b10423734a4deaba4e21d82 [0,1,0,1,0,0|1,0,1]=4 7780 B16R2.1330 CC(O)CCNC1CC1c2ccccc2 602189ad1cf49c9a1a64d7b063553054 [0,1,0,1,0,0|1,0,1]=4 7781 B16R2.1330 CC(O)CCN[C@@H]1C[C@H]1c2ccccc2 ba60124a6e6809286a702f153be3f70b [0,1,0,1,0,0|1,0,1]=4 7782 B16R2.1330 CC(O)CCN[C@H]1C[C@@H]1c2ccccc2 216cc9570cf4814f9523f8368ebb9362 [0,1,0,1,0,0|1,0,1]=4 7783 B16R2.1330 CN(C)CCNC1CC1c2ccccc2 2a282dbcaae2af9a13de668e6b7e1546 [0,1,0,1,0,0|2,0,0]=4 7784 B16R2.1330 CN(C)CCN[C@@H]1C[C@H]1c2ccccc2 04505984b4e0185081f6991722bd727d [0,1,0,1,0,0|2,0,0]=4 7785 B16R2.1330 CN(C)CCN[C@H]1C[C@@H]1c2ccccc2 ddb136ff351adfaa7f8c44ade927e3e6 [0,1,0,1,0,0|2,0,0]=4 7786 B16R2.1330 CS(=O)CCNC1CC1c2ccccc2 7959f0d5217bf74c896d773bffbac4b8 [0,1,0,1,0,0|2,0,0]=4 7787 B16R2.1330 CS(=O)CCN[C@@H]1C[C@H]1c2ccccc2 450c3a2415da01849a2c5e74c08eb1e3 [0,1,0,1,0,0|2,0,0]=4 7788 B16R2.1330 CS(=O)CCN[C@H]1C[C@@H]1c2ccccc2 84ecc288d52bb71ca883714c7177409b [0,1,0,1,0,0|2,0,0]=4 7789 B16R2.1330 NC(=O)CCNC1CC1c2ccccc2 629d2c6d2ea9b48d6d1e95c3d8035b5f [0,1,0,1,0,0|0,0,2]=4 7790 B16R2.1330 NC(=O)CCN[C@@H]1C[C@H]1c2ccccc2 2ea68e7b2fdf70765a2092a886e8afa1 [0,1,0,1,0,0|0,0,2]=4 7791 B16R2.1330 NC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 3cc4d0977a68d18e1e9e4dd5fe512a61 [0,1,0,1,0,0|0,0,2]=4 7792 B16R2.1330 O=C(O)CCNC1CC1c2ccccc2 3d1ae1f80f62e0038b2c399bbc6bb87b [0,1,0,1,0,0|1,0,1]=4 7793 B16R2.1330 O=C(O)CCN[C@@H]1C[C@H]1c2ccccc2 2dc98bc969e43c197477e46255034837 [0,1,0,1,0,0|1,0,1]=4 7794 B16R2.1330 O=C(O)CCN[C@H]1C[C@@H]1c2ccccc2 16a6834daaa52209c5fe3be265b1eb66 [0,1,0,1,0,0|1,0,1]=4 7795 B16R2.4003 C=C(C)CCN1c2ccccc2CC1C 6414eb4de5244ff389221a8e547d29d1 [0,1,0,1,0,0|1,0,1]=4 7796 B16R2.4003 C=C(C)CCN1c2ccccc2C[C@@H]1C d2716a261eaaba12aef1e803d2436f71 [0,1,0,1,0,0|1,0,1]=4 7797 B16R2.4003 C=C(C)CCN1c2ccccc2C[C@H]1C 359ac244853691d2a8a6b1430300d1e3 [0,1,0,1,0,0|1,0,1]=4 7798 B16R2.4003 CC(=O)CCN1c2ccccc2CC1C 0e52646f59b9e679844d7dc3ac98899e [0,1,0,1,0,0|1,0,1]=4 7799 B16R2.4003 CC(=O)CCN1c2ccccc2C[C@@H]1C dbdecdf3eb4ad5644f564b8858e28b82 [0,1,0,1,0,0|1,0,1]=4 7800 B16R2.4003 CC(=O)CCN1c2ccccc2C[C@H]1C b7bcb684562343d7c2a3b258c6be5bd2 [0,1,0,1,0,0|1,0,1]=4 7801 B16R2.4003 CC(C)CCN1c2ccccc2CC1C c8945a47fa81dad816009af58f2d8f3c [0,1,0,1,0,0|1,0,1]=4 7802 B16R2.4003 CC(C)CCN1c2ccccc2C[C@@H]1C 85e5882eaf28c9421e6baa8fd932819e [0,1,0,1,0,0|1,0,1]=4 7803 B16R2.4003 CC(C)CCN1c2ccccc2C[C@H]1C 887584f7514219d79ccdaf7adbd4cf28 [0,1,0,1,0,0|1,0,1]=4 7804 B16R2.4003 CC(O)CCN1c2ccccc2CC1C 600983c0f8497472875ca134fd166f6e [0,1,0,1,0,0|1,0,1]=4 7805 B16R2.4003 CC(O)CCN1c2ccccc2C[C@@H]1C b77c04f5f10428d200e82f89d096870f [0,1,0,1,0,0|1,0,1]=4 7806 B16R2.4003 CC(O)CCN1c2ccccc2C[C@H]1C 73850f7f507952d383feb3a859ffbb35 [0,1,0,1,0,0|1,0,1]=4 7807 B16R2.4003 CC1Cc2ccccc2N1CCC(=O)N 85b96002a076d9ef75821e22c7edca14 [0,1,0,1,0,0|0,0,2]=4 7808 B16R2.4003 C[C@@H]1Cc2ccccc2N1CCC(=O)N 3c1f453e2296bc734bfd5f8af014e96d [0,1,0,1,0,0|0,0,2]=4 7809 B16R2.4003 C[C@H]1Cc2ccccc2N1CCC(=O)N 0f05e41b51d9cf01879b2e8fd6f5c2d5 [0,1,0,1,0,0|0,0,2]=4 7810 B16R2.12338 C=C(C)CCN1C(C1c2ccccc2)C 633ad0d856cb3c53f92a65d5a7d65711 [0,1,0,1,0,0|1,0,1]=4 7811 B16R2.12338 C=C(C)CCN1[C@@H]([C@@H]1c2ccccc2)C 5794bdcdd1b2352c40d9b59d43e79875 [0,1,0,1,0,0|1,0,1]=4 7812 B16R2.12338 CC(=O)CCN1C(C1c2ccccc2)C 288ba1bfcee61aab2ac8b19f396f9d23 [0,1,0,1,0,0|1,0,1]=4 7813 B16R2.12338 CC(=O)CCN1[C@@H]([C@@H]1c2ccccc2)C fe2b44677b879280a7613b46a105e10c [0,1,0,1,0,0|1,0,1]=4 7814 B16R2.12338 CC(C)CCN1C(C1c2ccccc2)C 26ccbf70d170e1a55a50772b82925ca6 [0,1,0,1,0,0|1,0,1]=4 7815 B16R2.12338 CC(C)CCN1[C@@H]([C@@H]1c2ccccc2)C 786afbebaa77e6d4fe50e59199e939fc [0,1,0,1,0,0|1,0,1]=4 7816 B16R2.12338 CC(O)CCN1C(C1c2ccccc2)C 9f20d4057315f58cc855ade3b654ae38 [0,1,0,1,0,0|1,0,1]=4 7817 B16R2.12338 CC(O)CCN1[C@@H]([C@@H]1c2ccccc2)C fcaa67f1d664b0880874f06b4b931d70 [0,1,0,1,0,0|1,0,1]=4 7818 B16R2.12338 CC1C(N1CCC(=O)N)c2ccccc2 23d11a5c0f59f9dede6c157102dfc310 [0,1,0,1,0,0|0,0,2]=4 7819 B16R2.12338 CC1C(N1CCC(=O)O)c2ccccc2 7181a31a06d91e7e74b5a86cebc6244d [0,1,0,1,0,0|1,0,1]=4 7820 B16R2.12338 CC1C(N1CCN(C)C)c2ccccc2 370a89ce95c1b3b6be6ce2d124b64ffe [0,1,0,1,0,0|2,0,0]=4 7821 B16R2.12338 CC1C(N1CCS(=O)C)c2ccccc2 5d2032951f22cf6487829ca7c87e970e [0,1,0,1,0,0|2,0,0]=4 7822 B16R2.12338 C[C@@H]1[C@@H](N1CCC(=O)N)c2ccccc2 c71faf808c105f2c1fd1818473468003 [0,1,0,1,0,0|0,0,2]=4 7823 B16R2.12338 C[C@@H]1[C@@H](N1CCC(=O)O)c2ccccc2 8424c2b74be3dca8bc15fccb4e0ab162 [0,1,0,1,0,0|1,0,1]=4 7824 B16R2.12338 C[C@@H]1[C@@H](N1CCN(C)C)c2ccccc2 8cc89b3140ce80456673bb78b90709bd [0,1,0,1,0,0|2,0,0]=4 7825 B16R2.12338 C[C@@H]1[C@@H](N1CCS(=O)C)c2ccccc2 0d92267ddaf5de5dacea2a7e17816cc6 [0,1,0,1,0,0|2,0,0]=4 7826 B16R2.2109 C#CCCNC1(Cc2ccccc2C1)C 2094dc23ec53b1284106eff42403bb20 [0,1,0,1,0,0|1,0,0]=3 7827 B16R2.2109 C=CCCNC1(Cc2ccccc2C1)C 6cefc2e8e45e8ba563ceb2c7ddc5a266 [0,1,0,1,0,0|1,0,1]=4 7828 B16R2.2109 CC1(Cc2ccccc2C1)NCCC#N 9dfb9b56bb265aa69d7dbd45cd694bfc [0,1,0,1,0,0|0,0,0]=2 7829 B16R2.2109 CC1(Cc2ccccc2C1)NCCC=O 51e054ce5a5c7b926f65188ccf66e1ab [0,1,0,1,0,0|1,0,1]=4 7830 B16R2.2109 CC1(Cc2ccccc2C1)NCCCF e5ed0cd066d62e1c777a45a78b3fc2b1 [0,1,0,1,0,0|1,0,1]=4 7831 B16R2.2109 CC1(Cc2ccccc2C1)NCCCO c1f91899afd28bc8e148465580d5b8ff [0,1,0,1,0,0|1,0,1]=4 7832 B16R2.2109 CC1(Cc2ccccc2C1)NCCCS 92292a27921c9b1f5fde8dbbe62ad28a [0,1,0,1,0,0|1,0,1]=4 7833 B16R2.2109 CCCCNC1(Cc2ccccc2C1)C 4c27390e298a60bede9fb0209eddd2b6 [0,1,0,1,0,0|1,0,1]=4 7834 B16R2.2109 COCCNC1(Cc2ccccc2C1)C bc1c3e50eb1a8843023faeaa55c37930 [0,1,0,1,0,0|2,0,0]=4 7835 B16R2.2109 CSCCNC1(Cc2ccccc2C1)C fdad41d9fd396be22f1f7749a837ca9c [0,1,0,1,0,0|2,0,0]=4 7836 B16R2.2363 Cc1ccccc1CN2CCC(C2)C#N 221e7c0de3068127e6dea56b0fa4a8b5 [0,1,0,1,0,0|2,0,0]=4 7837 B16R2.2363 Cc1ccccc1CN2CC[C@@H](C2)C#N ac9b3cb1c001356ec824900c63368c5a [0,1,0,1,0,0|2,0,0]=4 7838 B16R2.2363 Cc1ccccc1CN2CC[C@H](C2)C#N 731a7e5849362c0fa9ccc80da0af2ae2 [0,1,0,1,0,0|2,0,0]=4 7839 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Br 34a4996ac49a0fb51d383ac0c72d9a43 [0,1,0,1,0,0|2,0,0]=4 7840 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2Cl 211964c23c08492127d2f662bc5128c5 [0,1,0,1,0,0|2,0,0]=4 7841 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2F 6640432dc42c56ba081bd28470f6badf [0,1,0,1,0,0|2,0,0]=4 7842 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2I 0bc1047cf36b1d14fe7e1583077c8637 [0,1,0,1,0,0|2,0,0]=4 7843 B16R2.2363 N#C[C@@H]1CCN(C1)Cc2ccccc2Br 578c03e29a8b201aac17deaf3f28a439 [0,1,0,1,0,0|2,0,0]=4 7844 B16R2.2363 N#C[C@@H]1CCN(C1)Cc2ccccc2Cl c0b71265ece324ca27b0ba3cb63d499a [0,1,0,1,0,0|2,0,0]=4 7845 B16R2.2363 N#C[C@@H]1CCN(C1)Cc2ccccc2F a9e6bf7d1800272f39764cfa10923e17 [0,1,0,1,0,0|2,0,0]=4 7846 B16R2.2363 N#C[C@@H]1CCN(C1)Cc2ccccc2I 0b861f3410623990399db17b8cc3bdef [0,1,0,1,0,0|2,0,0]=4 7847 B16R2.2363 N#C[C@H]1CCN(C1)Cc2ccccc2Br 58e95f619189ead546dff01eafe2d721 [0,1,0,1,0,0|2,0,0]=4 7848 B16R2.2363 N#C[C@H]1CCN(C1)Cc2ccccc2Cl 5274ace8fce8911fed582ea95e72964f [0,1,0,1,0,0|2,0,0]=4 7849 B16R2.2363 N#C[C@H]1CCN(C1)Cc2ccccc2F ea95408a561e929937a47d09af16aae7 [0,1,0,1,0,0|2,0,0]=4 7850 B16R2.2363 N#C[C@H]1CCN(C1)Cc2ccccc2I c35dd8ae0c458b2d05c37ad4ab9d7dda [0,1,0,1,0,0|2,0,0]=4 7851 B16R2.31971 C#CCCN1c2nccc(c2C[C@@H]1C)I 01c706f2996bd0dfa82f45e91cdbfb36 [0,1,0,1,0,0|2,0,0]=4 7852 B16R2.31971 C#CCCN1c2nccc(c2C[C@H]1C)I 40ee814200e555fc0ad25595cebf8afb [0,1,0,1,0,0|2,0,0]=4 7853 B16R2.31971 C[C@@H]1Cc2c(ccnc2N1CCC#N)I 82bc4b897d88032336a047a57dd53dee [0,1,0,1,0,0|1,0,0]=3 7854 B16R2.31971 C[C@@H]1Cc2c(ccnc2N1CSC#N)I 62d49f454555e9411e636ed4ff832bff [0,1,0,1,0,0|2,0,0]=4 7855 B16R2.31971 C[C@H]1Cc2c(ccnc2N1CCC#N)I 1450cd12703da7528d8b708f3c8865c3 [0,1,0,1,0,0|1,0,0]=3 7856 B16R2.31971 C[C@H]1Cc2c(ccnc2N1CSC#N)I c0d85d0a16862f655eb57c52ba6f543d [0,1,0,1,0,0|2,0,0]=4 7857 B16R2.889 CC1(Cc2ccccc2C1OCC#N)C 30b8d5455e71c30c96108be82875ed59 [0,1,0,1,0,0|2,0,0]=4 7858 B16R2.30042 CC1([C@@H]([C@H]1c2ccccc2)NCC#N)C 303c0775034081877780d37d8fab3c23 [0,1,0,1,0,0|2,0,0]=4 7859 B16R3.5925 c1ccc2c(c1)CC(C2)N3CCSC3 31f3ad5996717bc789c6291edbfd0bee [0,0,0,2,0,0|2,0,0]=4 7860 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CC3 ef622dc062b43df6183d6043b37a6d48 [0,0,0,2,0,0|1,0,1]=4 7861 B16R3.5267 CC1C(N1C2COC2)c3ccccc3 4becbcfe415da2cdada9e0987dae8ced [0,0,0,2,0,0|2,0,0]=4 7862 B16R3.5267 C[C@@H]1[C@@H](N1C2COC2)c3ccccc3 dceaa06b8b2271784bd9a67a0d4dfd20 [0,0,0,2,0,0|2,0,0]=4 7863 B16R3.5268 CC1C(N1CC2CC2)c3ccccc3 df0b0aa88489c76513adc44a189941d4 [0,0,0,2,0,0|1,0,1]=4 7864 B16R3.5268 C[C@@H]1[C@@H](N1CC2CC2)c3ccccc3 6332a2dafb8c7ef74954da5be1f4a817 [0,0,0,2,0,0|1,0,1]=4 7865 B16R3.14531 CC1CC1NC2Cc3ccccc3C2 ae514fd8113aa50d7171552c3568e05e [0,0,0,2,0,0|1,0,1]=4 7866 B16R3.14531 F[C@@H]1C[C@@H]1NC2Cc3ccccc3C2 417125e1d6cd04f144cafb672a038c73 [0,0,0,2,0,0|1,0,1]=4 7867 B16R3.14531 F[C@@H]1C[C@H]1NC2Cc3ccccc3C2 5ba8e6e01033df911e038aea40871b83 [0,0,0,2,0,0|1,0,1]=4 7868 B16R3.14531 F[C@H]1C[C@@H]1NC2Cc3ccccc3C2 7d296a70627acc6460268bb5dbc8473d [0,0,0,2,0,0|1,0,1]=4 7869 B16R3.1790 c1ccc(cc1)C2CC2NCC3CC3 10df5ed4411ca996fc913bee429114aa [0,0,0,2,0,0|1,0,1]=4 7870 B16R3.1790 c1ccc(cc1)[C@@H]2C[C@H]2NCC3CC3 45e34d26910a15d816a5f9e8d142c0f0 [0,0,0,2,0,0|1,0,1]=4 7871 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CC3 48112106197377cea360f0eb3810cd60 [0,0,0,2,0,0|1,0,1]=4 7872 B16R3.3519 CC1Cc2ccccc2N1CC3CC3 e4524cb3cd08256b5447f442ee2cff8c [0,0,0,2,0,0|1,0,1]=4 7873 B16R3.3519 C[C@@H]1Cc2ccccc2N1CC3CC3 be800f5dc9f04cf9a32aa276e0709bfb [0,0,0,2,0,0|1,0,1]=4 7874 B16R3.3519 C[C@H]1Cc2ccccc2N1CC3CC3 5ae9f6b28cf8c5ae3226b88dd245bd70 [0,0,0,2,0,0|1,0,1]=4 7875 B16R3.3490 CC1Cc2ccccc2N1C3CCC3 448063e37b54288a5106851d46dc671f [0,0,0,2,0,0|1,0,1]=4 7876 B16R3.3490 C[C@@H]1Cc2ccccc2N1C3CCC3 d44776110b8f8539700cd4bd90f46eb5 [0,0,0,2,0,0|1,0,1]=4 7877 B16R3.3490 C[C@H]1Cc2ccccc2N1C3CCC3 e3237424823f8669e5caaf76f163c12a [0,0,0,2,0,0|1,0,1]=4 7878 B12R1.37 C#CCCNCCc1ccc[nH]1 2b13b87a041b5c17532a96c14f9cbd77 [1,0,0,0,1,0|2,0,0]=4 7879 B12R1.37 C#CCCNCCc1ccco1 5d043b1d9adbfd833454105cfc5976d6 [1,0,0,0,1,0|2,0,0]=4 7880 B12R1.37 C#CCCNCCc1cccs1 264836fc5d86d99c397c5366c87e266b [1,0,0,0,1,0|2,0,0]=4 7881 B12R1.37 C#CCCNCCc1ccsc1 3d2599f54660a1eb344e8887b8f85694 [1,0,0,0,1,0|2,0,0]=4 7882 B12R1.37 C#CCCNCCn1cccc1 fcbcceab4db5673ee8393c47f105f7a3 [1,0,0,0,1,0|2,0,0]=4 7883 B12R1.37 N#CCCNCCc1c[nH]cn1 1dbd407722a05484a245f1f2301833b0 [1,0,0,0,1,0|2,0,0]=4 7884 B12R1.37 N#CCCNCCc1cc[nH]n1 eb383fb1f883b4866daa6b6c7f4687f2 [1,0,0,0,1,0|2,0,0]=4 7885 B12R1.37 N#CCCNCCc1ccc[nH]1 9adb06a85ec2cbebd0ea341fef38fc45 [1,0,0,0,1,0|1,0,0]=3 7886 B12R1.37 N#CCCNCCc1ccco1 1283577b53d1a9f77475f3d912f7a657 [1,0,0,0,1,0|1,0,0]=3 7887 B12R1.37 N#CCCNCCc1cccs1 18b9b0fdf11186168b6156ff9271af9b [1,0,0,0,1,0|1,0,0]=3 7888 B12R1.37 N#CCCNCCc1ccsc1 45ca2935405d3f50b2cbfdfbf04684f1 [1,0,0,0,1,0|1,0,0]=3 7889 B12R1.37 N#CCCNCCc1cn[nH]c1 86cec40f60597f1d0116f4467f0908dc [1,0,0,0,1,0|2,0,0]=4 7890 B12R1.37 N#CCCNCCc1cnoc1 d827268b191a4e62f641b4825c823769 [1,0,0,0,1,0|2,0,0]=4 7891 B12R1.37 N#CCCNCCc1cscn1 f6f8b9eea5253268241dea201e63b130 [1,0,0,0,1,0|2,0,0]=4 7892 B12R1.37 N#CCCNCCc1ncc[nH]1 79a4d420838e136d07da8768e03c85e3 [1,0,0,0,1,0|2,0,0]=4 7893 B12R1.37 N#CCCNCCc1nccs1 5ad2c35c95f31073f4b01b89e067c548 [1,0,0,0,1,0|2,0,0]=4 7894 B12R1.37 N#CCCNCCn1cccc1 5fc6c72928011737d10dd10b5bc07591 [1,0,0,0,1,0|1,0,0]=3 7895 B12R1.37 N#CCCNCCn1cccn1 a3141ce36819c6395219b7e92f64a2d0 [1,0,0,0,1,0|2,0,0]=4 7896 B12R1.37 N#CCCNCCn1ccnc1 ee9abf47eed2e80b0dfdb4d15102b8fa [1,0,0,0,1,0|2,0,0]=4 7897 B12R1.37 N#CCCOCCc1ccc[nH]1 f81371ea4bc021e7a7c01889a768ec89 [1,0,0,0,1,0|2,0,0]=4 7898 B12R1.37 N#CCCOCCc1ccco1 57a76ef83a231636fda9fc8d6e1363c7 [1,0,0,0,1,0|2,0,0]=4 7899 B12R1.37 N#CCCOCCc1cccs1 d6ef09085096487ed47cd101ea419de0 [1,0,0,0,1,0|2,0,0]=4 7900 B12R1.37 N#CCCOCCc1ccoc1 645c108e122eac0830d55222f8ce8899 [1,0,0,0,1,0|2,0,0]=4 7901 B12R1.37 N#CCCOCCc1ccsc1 87a85ac039a0ef689fd83342eae3d017 [1,0,0,0,1,0|2,0,0]=4 7902 B12R1.37 N#CCCOCCn1cccc1 5a2c0ac55df11af9aa8243cad4f8a054 [1,0,0,0,1,0|2,0,0]=4 7903 B12R1.37 N#CSCNCCc1ccc[nH]1 cb0e42cd34a707df2b53d64bf9a58e85 [1,0,0,0,1,0|2,0,0]=4 7904 B12R1.37 N#CSCNCCc1ccco1 e4988fdffee09f4b5633a93bf6b307a4 [1,0,0,0,1,0|2,0,0]=4 7905 B12R1.37 N#CSCNCCc1ccsc1 92d9b35994eaa75f0838226ee84ff0fc [1,0,0,0,1,0|2,0,0]=4 7906 B12R1.37 N#CSCNCCn1cccc1 ff2cee8084812a42fc58d680c078924a [1,0,0,0,1,0|2,0,0]=4 7907 B12R1.30 C#CCCN(C)c1ccccc1 26c0497305b10abd73ca8cb441cc00c7 [1,0,0,0,1,0|2,0,0]=4 7908 B12R1.30 C#CCNC(C)c1ccccc1 8ed5828c2e258c30367c2a46a0344f1e [1,0,0,0,1,0|0,0,1]=3 7909 B12R1.30 C#CCNC(C)c1ccccn1 4298989a128b5a6841bac7e23a0354aa [1,0,0,0,1,0|1,0,1]=4 7910 B12R1.30 C#CCNC(C)c1cccnc1 6ebe0dd03d736579935a567552ceea44 [1,0,0,0,1,0|1,0,1]=4 7911 B12R1.30 C#CCNC(C)c1ccncc1 104668a9ea4f40854c97edbd8d393f60 [1,0,0,0,1,0|1,0,1]=4 7912 B12R1.30 C#CCN[C@@H](C)c1ccccc1 c2e57a43b39094fb9cc8c5d89eda2aec [1,0,0,0,1,0|0,0,1]=3 7913 B12R1.30 C#CCN[C@@H](C)c1ccccn1 341a7b97c54032ef6cc5876956ea059f [1,0,0,0,1,0|1,0,1]=4 7914 B12R1.30 C#CCN[C@@H](C)c1cccnc1 8f573fe768361e3d7c0a88b9dea1ffc9 [1,0,0,0,1,0|1,0,1]=4 7915 B12R1.30 C#CCN[C@@H](C)c1ccncc1 c319a4179f5e36f7701e5fb020357b77 [1,0,0,0,1,0|1,0,1]=4 7916 B12R1.30 C#CCN[C@H](C)c1ccccc1 0027d86dcd1350148f8559798567d252 [1,0,0,0,1,0|0,0,1]=3 7917 B12R1.30 C#CCN[C@H](C)c1ccccn1 6dc8aa600cebb97d8f32894292c6e305 [1,0,0,0,1,0|1,0,1]=4 7918 B12R1.30 C#CCN[C@H](C)c1cccnc1 2610035a3d9c472ce43c3e6cfb235316 [1,0,0,0,1,0|1,0,1]=4 7919 B12R1.30 C#CCN[C@H](C)c1ccncc1 4828225d1ab8b3f66ed7eeeced04658f [1,0,0,0,1,0|1,0,1]=4 7920 B12R1.30 C#CCOC(C)c1ccccc1 29a457d91187748bd9fba937b2dce22a [1,0,0,0,1,0|1,0,1]=4 7921 B12R1.30 C#CCO[C@@H](C)c1ccccc1 a17750258d0bbb03a82d71c12a4ef66f [1,0,0,0,1,0|1,0,1]=4 7922 B12R1.30 C#CCO[C@H](C)c1ccccc1 daa23676a75f018b9eb1a615337c3d8a [1,0,0,0,1,0|1,0,1]=4 7923 B12R1.30 C=CCNC(C)c1ccccc1 fa2a8c61f42c61d4674c5e223d49122c [1,0,0,0,1,0|0,0,2]=4 7924 B12R1.30 C=CCN[C@@H](C)c1ccccc1 600f83b5cdc08e60e339b69a1a0c1bbe [1,0,0,0,1,0|0,0,2]=4 7925 B12R1.30 C=CCN[C@H](C)c1ccccc1 d607bf8a84d857931725e26673643b18 [1,0,0,0,1,0|0,0,2]=4 7926 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [1,0,0,0,1,0|1,0,0]=3 7927 B12R1.30 CC(NCC#N)c1ccccc1 85ca8869c6ae0debccfd66d74dfbe1ee [1,0,0,0,1,0|0,0,0]=2 7928 B12R1.30 CC(NCC#N)c1ccccn1 a9ec91ed37d65c2c6da5622288d0690e [1,0,0,0,1,0|1,0,0]=3 7929 B12R1.30 CC(NCC#N)c1cccnc1 0278633e99d6f7c425c410780262bfe6 [1,0,0,0,1,0|1,0,0]=3 7930 B12R1.30 CC(NCC#N)c1cccnn1 1016477863fdc058e2a43cf0f16aebf0 [1,0,0,0,1,0|2,0,0]=4 7931 B12R1.30 CC(NCC#N)c1ccncc1 7d4240ca51090bf562a18cef3eb5e5d2 [1,0,0,0,1,0|1,0,0]=3 7932 B12R1.30 CC(NCC#N)c1ccncn1 7339bfde0ba92406c1854e75b5e793df [1,0,0,0,1,0|2,0,0]=4 7933 B12R1.30 CC(NCC#N)c1ccnnc1 76c5996dc5ab6b45ba0efafe78a56b5a [1,0,0,0,1,0|2,0,0]=4 7934 B12R1.30 CC(NCC#N)c1cnccn1 b19a481e31a115255e86cbec4e6d71cf [1,0,0,0,1,0|2,0,0]=4 7935 B12R1.30 CC(NCC#N)c1cncnc1 f7eb476354c9d5a83f8b4dde2a1fc742 [1,0,0,0,1,0|2,0,0]=4 7936 B12R1.30 CC(NCC#N)c1ncccn1 c2f2b082fcf1f4897a50d0cef3bcaef0 [1,0,0,0,1,0|2,0,0]=4 7937 B12R1.30 CC(NCC=O)c1ccccc1 d9b90894b15660347d656ab520d55286 [1,0,0,0,1,0|1,0,1]=4 7938 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [1,0,0,0,1,0|1,0,0]=3 7939 B12R1.30 CC(NCCF)c1ccccn1 e4b3c22db6493feb1d8ba5ab52abe2b7 [1,0,0,0,1,0|2,0,0]=4 7940 B12R1.30 CC(NCCF)c1cccnc1 98453ca856fdce67138eff6b8a58632f [1,0,0,0,1,0|2,0,0]=4 7941 B12R1.30 CC(NCCF)c1ccncc1 d00a6ddb58ca2888baf35eb5f7d83ab7 [1,0,0,0,1,0|2,0,0]=4 7942 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [1,0,0,0,1,0|1,0,0]=3 7943 B12R1.30 CC(NCCO)c1ccccn1 1f2512975bc0cda2de4ebeb90f7dc4c3 [1,0,0,0,1,0|2,0,0]=4 7944 B12R1.30 CC(NCCO)c1cccnc1 835f2191033f26e623aa2f33664ce4a3 [1,0,0,0,1,0|2,0,0]=4 7945 B12R1.30 CC(NCCO)c1ccncc1 406a87a9f7a46ead1517264ef12a0a00 [1,0,0,0,1,0|2,0,0]=4 7946 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [1,0,0,0,1,0|1,0,0]=3 7947 B12R1.30 CC(NCCS)c1ccccn1 bc977812ec4257d304ab2ebe4f44b33d [1,0,0,0,1,0|2,0,0]=4 7948 B12R1.30 CC(NCCS)c1cccnc1 b6e72c7d872edae9d7608a5511e2393b [1,0,0,0,1,0|2,0,0]=4 7949 B12R1.30 CC(NCCS)c1ccncc1 7849a27ddacacf00980844a9b4c95f39 [1,0,0,0,1,0|2,0,0]=4 7950 B12R1.30 CC(OCC#N)c1ccccc1 1ec1dc9da1f2b2c8e841a4b7ee7f537f [1,0,0,0,1,0|1,0,0]=3 7951 B12R1.30 CC(OCC#N)c1ccccn1 55103d5613a0834edea244d4f43155f8 [1,0,0,0,1,0|2,0,0]=4 7952 B12R1.30 CC(OCC#N)c1cccnc1 132525ba6ce124699bcb8c3f526324a2 [1,0,0,0,1,0|2,0,0]=4 7953 B12R1.30 CC(OCC#N)c1ccncc1 3dd1c3ca3acf0d086b40cb16ef5f1f73 [1,0,0,0,1,0|2,0,0]=4 7954 B12R1.30 CC(OCCF)c1ccccc1 296004c8a3c297153de64ff701a708ab [1,0,0,0,1,0|2,0,0]=4 7955 B12R1.30 CC(OCCS)c1ccccc1 8a2d25daddbc7e25b5ea41349af0bdcf [1,0,0,0,1,0|2,0,0]=4 7956 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [1,0,0,0,1,0|0,0,1]=3 7957 B12R1.30 CCCNC(C)c1ccccn1 cc14fd04410800b4bd6435a8ddd3bb22 [1,0,0,0,1,0|1,0,1]=4 7958 B12R1.30 CCCNC(C)c1cccnc1 ad711bb62eeb1aee43dc7dd8f93d36ef [1,0,0,0,1,0|1,0,1]=4 7959 B12R1.30 CCCNC(C)c1ccncc1 5bbf0ec17de63181b9f984c6ee459099 [1,0,0,0,1,0|1,0,1]=4 7960 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [1,0,0,0,1,0|0,0,1]=3 7961 B12R1.30 CCCN[C@@H](C)c1ccccn1 03c5378eb87bcbab461643e14036da7b [1,0,0,0,1,0|1,0,1]=4 7962 B12R1.30 CCCN[C@@H](C)c1cccnc1 ebfd88cd08246c9c4c8dd5665a36e4de [1,0,0,0,1,0|1,0,1]=4 7963 B12R1.30 CCCN[C@@H](C)c1ccncc1 247a85b98e9473b8ba80ebe1aa76666d [1,0,0,0,1,0|1,0,1]=4 7964 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [1,0,0,0,1,0|0,0,1]=3 7965 B12R1.30 CCCN[C@H](C)c1ccccn1 b254cf125be5ff667ba0c27b98f7399e [1,0,0,0,1,0|1,0,1]=4 7966 B12R1.30 CCCN[C@H](C)c1cccnc1 336ef7d0edfb76e914cc3e6724738449 [1,0,0,0,1,0|1,0,1]=4 7967 B12R1.30 CCCN[C@H](C)c1ccncc1 c38d0e044de489d76af7664dba013771 [1,0,0,0,1,0|1,0,1]=4 7968 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [1,0,0,0,1,0|1,0,1]=4 7969 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [1,0,0,0,1,0|1,0,1]=4 7970 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [1,0,0,0,1,0|1,0,1]=4 7971 B12R1.30 CN(CCC#N)c1ccccc1 23b443fbe6fd49c306bece79b166b6d1 [1,0,0,0,1,0|1,0,0]=3 7972 B12R1.30 CN(CCC#N)c1ccccn1 214304c8c0bceaa3bcfd1e0a98b7ad1d [1,0,0,0,1,0|2,0,0]=4 7973 B12R1.30 CN(CCC#N)c1cccnc1 23eb92c6cbdd4b8f47cb4b449a659b15 [1,0,0,0,1,0|2,0,0]=4 7974 B12R1.30 CN(CCC#N)c1ccncc1 671d9ff99ba46b43d2dd3b91d2eb3262 [1,0,0,0,1,0|2,0,0]=4 7975 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [1,0,0,0,1,0|1,0,1]=4 7976 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [1,0,0,0,1,0|1,0,1]=4 7977 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [1,0,0,0,1,0|1,0,1]=4 7978 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [1,0,0,0,1,0|1,0,1]=4 7979 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [1,0,0,0,1,0|1,0,1]=4 7980 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [1,0,0,0,1,0|1,0,1]=4 7981 B12R1.30 C[C@@H](NCC#N)c1ccccc1 79a0e920b4d897eb15d12e8b6b71cbe9 [1,0,0,0,1,0|0,0,0]=2 7982 B12R1.30 C[C@@H](NCC#N)c1ccccn1 31e3a4f8ecfc4a47f723a987c48020d8 [1,0,0,0,1,0|1,0,0]=3 7983 B12R1.30 C[C@@H](NCC#N)c1cccnc1 b0aa1f85c57c967de6e4fdb728385c10 [1,0,0,0,1,0|1,0,0]=3 7984 B12R1.30 C[C@@H](NCC#N)c1ccncc1 02535e0fa22f1c5ec78721c5f33befa0 [1,0,0,0,1,0|1,0,0]=3 7985 B12R1.30 C[C@@H](NCC#N)c1cncnc1 11f478438cb286392dbadeb2f9228ee6 [1,0,0,0,1,0|2,0,0]=4 7986 B12R1.30 C[C@@H](NCC=O)c1ccccc1 de3c0d8a847d9265ee59861806469e38 [1,0,0,0,1,0|1,0,1]=4 7987 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [1,0,0,0,1,0|1,0,0]=3 7988 B12R1.30 C[C@@H](NCCF)c1ccccn1 154a8f5306674b5b4fb86554624d8f02 [1,0,0,0,1,0|2,0,0]=4 7989 B12R1.30 C[C@@H](NCCF)c1cccnc1 12f73e5e559ab85e5122e1a81e53b390 [1,0,0,0,1,0|2,0,0]=4 7990 B12R1.30 C[C@@H](NCCF)c1ccncc1 f4597ee5de5808cd0436c64921b79837 [1,0,0,0,1,0|2,0,0]=4 7991 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [1,0,0,0,1,0|1,0,0]=3 7992 B12R1.30 C[C@@H](NCCO)c1ccccn1 0a16ea94a018ff0b30ce209917ed1b9a [1,0,0,0,1,0|2,0,0]=4 7993 B12R1.30 C[C@@H](NCCO)c1cccnc1 b66a1d2b51096a933fc11fef30758fa0 [1,0,0,0,1,0|2,0,0]=4 7994 B12R1.30 C[C@@H](NCCO)c1ccncc1 0c6f3025e3de9b3aae5ed17757ac9746 [1,0,0,0,1,0|2,0,0]=4 7995 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [1,0,0,0,1,0|1,0,0]=3 7996 B12R1.30 C[C@@H](NCCS)c1ccccn1 3c328d281ac093addd2e4f5b2a08326f [1,0,0,0,1,0|2,0,0]=4 7997 B12R1.30 C[C@@H](NCCS)c1cccnc1 cdf27954c484f85825d6a106da8327f4 [1,0,0,0,1,0|2,0,0]=4 7998 B12R1.30 C[C@@H](NCCS)c1ccncc1 564280d12a7e5487659e2ce4d5b8772c [1,0,0,0,1,0|2,0,0]=4 7999 B12R1.30 C[C@@H](OCC#N)c1ccccc1 b7bf8cbcee7c14c575bc4d4a84868d53 [1,0,0,0,1,0|1,0,0]=3 8000 B12R1.30 C[C@@H](OCC#N)c1ccccn1 5f86adacac72585b16715679bc57ed2b [1,0,0,0,1,0|2,0,0]=4 8001 B12R1.30 C[C@@H](OCC#N)c1cccnc1 c28f0920953fb6afab433614112fd422 [1,0,0,0,1,0|2,0,0]=4 8002 B12R1.30 C[C@@H](OCC#N)c1ccncc1 62783f915f03b8155cc0ca26afbcde5c [1,0,0,0,1,0|2,0,0]=4 8003 B12R1.30 C[C@@H](OCCF)c1ccccc1 203a44e775c1adfe6a43ad6321e3d4aa [1,0,0,0,1,0|2,0,0]=4 8004 B12R1.30 C[C@@H](OCCS)c1ccccc1 831161e77b199edd57098275b43b0190 [1,0,0,0,1,0|2,0,0]=4 8005 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [1,0,0,0,1,0|1,0,0]=3 8006 B12R1.30 C[C@H](NCC#N)c1ccccc1 04ab453e311f4e57bddb16b9d73b093d [1,0,0,0,1,0|0,0,0]=2 8007 B12R1.30 C[C@H](NCC#N)c1ccccn1 bc5da37c07a0a8a477c4b315b4b99aed [1,0,0,0,1,0|1,0,0]=3 8008 B12R1.30 C[C@H](NCC#N)c1cccnc1 e7f17e5e9f316ee1aa635650165778ec [1,0,0,0,1,0|1,0,0]=3 8009 B12R1.30 C[C@H](NCC#N)c1ccncc1 c3325c6d18c04b7047f0f8ccb8e404bd [1,0,0,0,1,0|1,0,0]=3 8010 B12R1.30 C[C@H](NCC#N)c1cncnc1 442433b6bd9fb95a7b1f523e51a6e8d5 [1,0,0,0,1,0|2,0,0]=4 8011 B12R1.30 C[C@H](NCC=O)c1ccccc1 a3dc214a4fba86b355b0ede6b011be4e [1,0,0,0,1,0|1,0,1]=4 8012 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [1,0,0,0,1,0|1,0,0]=3 8013 B12R1.30 C[C@H](NCCF)c1ccccn1 f1507c4498e0ea85ccdeaef26b852927 [1,0,0,0,1,0|2,0,0]=4 8014 B12R1.30 C[C@H](NCCF)c1cccnc1 a8765c66d7cc17b491f189e0f6d31357 [1,0,0,0,1,0|2,0,0]=4 8015 B12R1.30 C[C@H](NCCF)c1ccncc1 818b9216bea5b63acbbe621c04908250 [1,0,0,0,1,0|2,0,0]=4 8016 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [1,0,0,0,1,0|1,0,0]=3 8017 B12R1.30 C[C@H](NCCO)c1ccccn1 c2fd11dd9f27b634fcee9eaeb69b256c [1,0,0,0,1,0|2,0,0]=4 8018 B12R1.30 C[C@H](NCCO)c1cccnc1 5061f6c061f5b5de0c552bc3e5115a0f [1,0,0,0,1,0|2,0,0]=4 8019 B12R1.30 C[C@H](NCCO)c1ccncc1 83f16c2381f34da6933a2e2726904426 [1,0,0,0,1,0|2,0,0]=4 8020 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [1,0,0,0,1,0|1,0,0]=3 8021 B12R1.30 C[C@H](NCCS)c1ccccn1 f4973bc66b9f31efb5fdc29911ab6563 [1,0,0,0,1,0|2,0,0]=4 8022 B12R1.30 C[C@H](NCCS)c1cccnc1 6cbc88044740d67f6693a909702392fa [1,0,0,0,1,0|2,0,0]=4 8023 B12R1.30 C[C@H](NCCS)c1ccncc1 be1bb3fedabbd57cd88d469223ee956b [1,0,0,0,1,0|2,0,0]=4 8024 B12R1.30 C[C@H](OCC#N)c1ccccc1 dec9f32ff56faa2d18e3e3c1709f800a [1,0,0,0,1,0|1,0,0]=3 8025 B12R1.30 C[C@H](OCC#N)c1ccccn1 e55e2c0a657d5b5f258de98653eef85d [1,0,0,0,1,0|2,0,0]=4 8026 B12R1.30 C[C@H](OCC#N)c1cccnc1 2c18bfb7f2602df76595cda4a7a02890 [1,0,0,0,1,0|2,0,0]=4 8027 B12R1.30 C[C@H](OCC#N)c1ccncc1 261721f19ec80042cecc8169126e00a2 [1,0,0,0,1,0|2,0,0]=4 8028 B12R1.30 C[C@H](OCCF)c1ccccc1 c0748435be7f607898a504b3471e7402 [1,0,0,0,1,0|2,0,0]=4 8029 B12R1.30 C[C@H](OCCS)c1ccccc1 37922141bea6d1cffd84b12460e94096 [1,0,0,0,1,0|2,0,0]=4 8030 B12R1.30 N#CCNC(=O)c1ccccc1 fc4b219e64be81c56d6d3aeb9506ed05 [1,0,0,0,1,0|1,0,1]=4 8031 B12R1.30 N#CNCC(O)c1ccccc1 9720d365060a0fcf7ba83a373e380727 [1,0,0,0,1,0|2,0,0]=4 8032 B12R1.53 C#CCNC(C)Cc1ccc[nH]1 ce5b2f795979c6671799ef3dbd34acbb [1,0,0,0,1,0|1,0,1]=4 8033 B12R1.53 C#CCNC(C)Cc1ccco1 433b638c337faae618fdeac3897cbd0b [1,0,0,0,1,0|1,0,1]=4 8034 B12R1.53 C#CCNC(C)Cc1ccsc1 ea77e9ca7b86300de7ce4b0c01bb16db [1,0,0,0,1,0|1,0,1]=4 8035 B12R1.53 CC(CCC#N)Nc1ccsc1 4a2c058fe4d586eaf9251dd679256dd5 [1,0,0,0,1,0|2,0,0]=4 8036 B12R1.53 CC(CCC#N)Oc1ccco1 d623acc6e047c52536c5cd382cbc70d4 [1,0,0,0,1,0|2,0,0]=4 8037 B12R1.53 CC(CCC#N)Oc1ccsc1 f6d187589db5b2cc6c3dc350ed42e042 [1,0,0,0,1,0|2,0,0]=4 8038 B12R1.53 CC(Cc1c[nH]cn1)NCC#N 9c99f7c408cd198b8cbd43e448cf0ebd [1,0,0,0,1,0|2,0,0]=4 8039 B12R1.53 CC(Cc1ccc[nH]1)NCC#N 5b86a25570440af5d7c90a2ea26e84f8 [1,0,0,0,1,0|1,0,0]=3 8040 B12R1.53 CC(Cc1ccc[nH]1)NCCF cab2f0b19f837d2380ed7a0bab1eae3f [1,0,0,0,1,0|2,0,0]=4 8041 B12R1.53 CC(Cc1ccc[nH]1)NCCO 3e658b807cfdd234dbc3dd3b6c3f46be [1,0,0,0,1,0|2,0,0]=4 8042 B12R1.53 CC(Cc1ccc[nH]1)NCCS 9872816c639a3c271f00871151b488c2 [1,0,0,0,1,0|2,0,0]=4 8043 B12R1.53 CC(Cc1ccco1)NCC#N 871c7f151cadc917c74e0fad65752804 [1,0,0,0,1,0|1,0,0]=3 8044 B12R1.53 CC(Cc1ccco1)NCCF a7a4c1bacf779219afd85edeecc6067e [1,0,0,0,1,0|2,0,0]=4 8045 B12R1.53 CC(Cc1ccco1)NCCO ba7afd753e3c07f4e5236ead2d660ca4 [1,0,0,0,1,0|2,0,0]=4 8046 B12R1.53 CC(Cc1ccco1)NCCS fd26cbe7cd59c3f16d3f2b8a19200a99 [1,0,0,0,1,0|2,0,0]=4 8047 B12R1.53 CC(Cc1ccco1)OCC#N 010ef1191c6d0d3fa48606b91005f7f7 [1,0,0,0,1,0|2,0,0]=4 8048 B12R1.53 CC(Cc1ccsc1)NCC#N 2455d2e6ab6523c4be3123362f63386f [1,0,0,0,1,0|1,0,0]=3 8049 B12R1.53 CC(Cc1ccsc1)NCCF d0cfa031e66cac4c50d438e3ac544daa [1,0,0,0,1,0|2,0,0]=4 8050 B12R1.53 CC(Cc1ccsc1)NCCO b69a3b04c92517f1d0fd00875d4cd39f [1,0,0,0,1,0|2,0,0]=4 8051 B12R1.53 CC(Cc1ccsc1)NCCS 70b3bf814397604c1be80c58125a9434 [1,0,0,0,1,0|2,0,0]=4 8052 B12R1.53 CC(Cc1ccsc1)OCC#N 46896e2b1e76d6b595a7baf337c6ce53 [1,0,0,0,1,0|2,0,0]=4 8053 B12R1.53 CC(Cn1cccn1)NCC#N c498d6756337fb2ef5c8ff8af3dddfb7 [1,0,0,0,1,0|2,0,0]=4 8054 B12R1.53 CCCNC(C)Cc1ccc[nH]1 ba30c089bd90d4da4c44c6170ec71c9d [1,0,0,0,1,0|1,0,1]=4 8055 B12R1.53 CCCNC(C)Cc1ccco1 8f557baca30ddaed8ed297f9992e166c [1,0,0,0,1,0|1,0,1]=4 8056 B12R1.53 CCCNC(C)Cc1ccsc1 fd308adacd82fd767acec410a845ad54 [1,0,0,0,1,0|1,0,1]=4 8057 B12R1.53 CN(CCC#N)Cc1ccc[nH]1 7c7d9987f2da4995ffa64db60f9e96f8 [1,0,0,0,1,0|2,0,0]=4 8058 B12R1.53 CN(CCC#N)Cc1ccco1 b93aa3c88a2b1b80c18132197855729a [1,0,0,0,1,0|2,0,0]=4 8059 B12R1.53 CN(CCC#N)Cc1cccs1 2b27f90934b333521c0133834dc7bf4e [1,0,0,0,1,0|2,0,0]=4 8060 B12R1.53 CN(CCC#N)Cc1ccoc1 193f11c4e2d30d6392af93f630e194c5 [1,0,0,0,1,0|2,0,0]=4 8061 B12R1.53 CN(CCC#N)Cc1ccsc1 47542a3c08334c6d3d6337170743aa6c [1,0,0,0,1,0|2,0,0]=4 8062 B12R1.53 C[C@@H](Cc1c[nH]cn1)NCC#N 202be314fe68d8787b5fa4c87fd389b2 [1,0,0,0,1,0|2,0,0]=4 8063 B12R1.53 C[C@H](Cc1c[nH]cn1)NCC#N f3e9af195aec6057f0ddb24ad34f3e3a [1,0,0,0,1,0|2,0,0]=4 8064 B12R1.35 C#CCCNC(C)c1ccco1 d7b9721c637e01b9e29a226bb3553398 [0,0,0,0,2,0|2,0,0]=4 8065 B12R1.35 C#CCCNC(C)c1cccs1 40ee737f1369f5eb6e50ea29f681c4a4 [0,0,0,0,2,0|2,0,0]=4 8066 B12R1.35 C#CCCNC(C)c1ccoc1 e7cc20dfe20aa0eda17137537fc3ffea [0,0,0,0,2,0|2,0,0]=4 8067 B12R1.35 C#CCCNC(C)c1ccsc1 974af9b35b576c6362b2abe8e5b8ca3a [0,0,0,0,2,0|2,0,0]=4 8068 B12R1.35 C#CCCN[C@@H](C)c1cccs1 ce7f0fcf1d84d7efc3b91c59c53061a1 [0,0,0,0,2,0|2,0,0]=4 8069 B12R1.35 C#CCCN[C@@H](C)c1ccoc1 05965c23e2751ab9ef09eefeb91678de [0,0,0,0,2,0|2,0,0]=4 8070 B12R1.35 C#CCCN[C@@H](C)c1ccsc1 a39421eb7390e52a0db43d85d7be5d19 [0,0,0,0,2,0|2,0,0]=4 8071 B12R1.35 C#CCCN[C@H](C)c1ccco1 7f8bb92b439fd4b8b5c1c4a2510e2fdd [0,0,0,0,2,0|2,0,0]=4 8072 B12R1.35 C#CCCN[C@H](C)c1cccs1 c101b9c0479ef512b364edde95704fc9 [0,0,0,0,2,0|2,0,0]=4 8073 B12R1.35 CC(NCCC#N)c1cc[nH]n1 394b1a02bf57c1e62db789ac3c72b508 [0,0,0,0,2,0|2,0,0]=4 8074 B12R1.35 CC(NCCC#N)c1ccco1 d39390ac644893d2eb410abbf4697cce [0,0,0,0,2,0|1,0,0]=3 8075 B12R1.35 CC(NCCC#N)c1cccs1 7770cc19f3072886bebf5afd3c0febaf [0,0,0,0,2,0|1,0,0]=3 8076 B12R1.35 CC(NCCC#N)c1ccoc1 965cd3ef8e29b4d8c4e92e43fcd00de5 [0,0,0,0,2,0|1,0,0]=3 8077 B12R1.35 CC(NCCC#N)c1ccon1 01e1ca96a8d615e8f25dbf2974d814a8 [0,0,0,0,2,0|2,0,0]=4 8078 B12R1.35 CC(NCCC#N)c1ccsc1 2bbbff67f3529f199eb2f099123c8dd3 [0,0,0,0,2,0|1,0,0]=3 8079 B12R1.35 CC(NCCC#N)c1cn[nH]c1 baff61794bc4ca02c8e6a714e03f3e87 [0,0,0,0,2,0|2,0,0]=4 8080 B12R1.35 CC(NCCC#N)c1cncs1 6309433b104eabf275bad68480e20564 [0,0,0,0,2,0|2,0,0]=4 8081 B12R1.35 CC(NCCC#N)c1cscn1 9e884e43488d23ae1fe04a1e4bfd44af [0,0,0,0,2,0|2,0,0]=4 8082 B12R1.35 CC(NCCC#N)c1ncco1 fbfa8dcb1a070fed9c1b5f7a4e2ab500 [0,0,0,0,2,0|2,0,0]=4 8083 B12R1.35 CC(NCCC#N)c1nccs1 4c1a505b64b8809977103faacab3797f [0,0,0,0,2,0|2,0,0]=4 8084 B12R1.35 CC(NCSC#N)c1ccoc1 21a867bd09b31ccd502632623a0fd08d [0,0,0,0,2,0|2,0,0]=4 8085 B12R1.35 CC(NCSC#N)c1ccsc1 72aea68ad857d3563383ac752cbba146 [0,0,0,0,2,0|2,0,0]=4 8086 B12R1.35 CC(OCCC#N)c1ccco1 df7bd3e73a067ac2459ad206435bc973 [0,0,0,0,2,0|2,0,0]=4 8087 B12R1.35 CC(OCCC#N)c1cccs1 ba2994744417086b18c4f0205b29b214 [0,0,0,0,2,0|2,0,0]=4 8088 B12R1.35 CC(OCCC#N)c1ccoc1 b7c5f2c292115d6b3a40963c94f43097 [0,0,0,0,2,0|2,0,0]=4 8089 B12R1.35 CC(OCCC#N)c1ccsc1 a816fcff70614d4de9460891c04e3a73 [0,0,0,0,2,0|2,0,0]=4 8090 B12R1.35 C[C@@H](NCCC#N)c1ccco1 c1353f8d3a9271239e2adcfc585a5b2b [0,0,0,0,2,0|1,0,0]=3 8091 B12R1.35 C[C@@H](NCCC#N)c1cccs1 9fff4c583d2532fffdd0db3da32c8a4e [0,0,0,0,2,0|1,0,0]=3 8092 B12R1.35 C[C@@H](OCCC#N)c1ccco1 9c8cad31784cf95f8ff02677a5dae6b7 [0,0,0,0,2,0|2,0,0]=4 8093 B12R1.35 C[C@@H](OCCC#N)c1cccs1 39fc5bf0d98b7434967589c384722a74 [0,0,0,0,2,0|2,0,0]=4 8094 B12R1.35 C[C@H](NCCC#N)c1cccs1 6df67f2ebf35914ff11e40bd62fd58ad [0,0,0,0,2,0|1,0,0]=3 8095 B12R1.35 C[C@H](NCCC#N)c1ccoc1 756040b08be23c85d3e664f94595b5af [0,0,0,0,2,0|1,0,0]=3 8096 B12R1.35 C[C@H](NCCC#N)c1ccsc1 5bad80692594931c109ed6c6b55aa386 [0,0,0,0,2,0|1,0,0]=3 8097 B12R1.35 C[C@H](NCCC#N)c1cncs1 cfe2cf91de36b9b31e511f19ecf46c12 [0,0,0,0,2,0|2,0,0]=4 8098 B12R1.35 C[C@H](NCCC#N)c1nccs1 4a6872c01dfe1058e854ed165ed53252 [0,0,0,0,2,0|2,0,0]=4 8099 B12R1.35 C[C@H](NCSC#N)c1ccoc1 c9ce718da05938650e1b5d932a251576 [0,0,0,0,2,0|2,0,0]=4 8100 B12R1.35 C[C@H](NCSC#N)c1ccsc1 39c6b7f62aed6b509fd098d356740c9e [0,0,0,0,2,0|2,0,0]=4 8101 B12R1.35 C[C@H](OCCC#N)c1cccs1 5bc771ea4af472fcb9bebcffd1a30fc6 [0,0,0,0,2,0|2,0,0]=4 8102 B16R1.1694 C#CCCNC(C)CCCc1ccccc1 365de1d3045c133db598ad4d352601f4 [0,0,0,0,0,2|1,0,0]=3 8103 B16R1.1694 C#CCCNC(C)COCc1ccccc1 afd7c5d6bfc67fa4caf08cd01682ac83 [0,0,0,0,0,2|1,0,0]=3 8104 B16R1.1694 C#CCCN[C@@H](C)COCc1ccccc1 880e725bd07a3b5f3d0e957117cfbe09 [0,0,0,0,0,2|1,0,0]=3 8105 B16R1.1694 C#CCCOC(C)COCc1ccccc1 d652641bb23ab38f88759b4b484c9a83 [0,0,0,0,0,2|2,0,0]=4 8106 B16R1.1694 C#CCCO[C@@H](C)COCc1ccccc1 f69e6ab366c7ec7a24fdd3bf08e3bd6f [0,0,0,0,0,2|2,0,0]=4 8107 B16R1.1694 C#CCCO[C@H](C)COCc1ccccc1 d825612393a65b6319d85d0e7c50dd09 [0,0,0,0,0,2|2,0,0]=4 8108 B16R1.1694 C=CCCNC(C)CCCc1ccccc1 a9c5315352a764f435c089883b696c15 [0,0,0,0,0,2|1,0,1]=4 8109 B16R1.1694 C=CCCNC(C)COCc1ccccc1 e856d49a6fa9f2c82aaf5baf3b1a6496 [0,0,0,0,0,2|1,0,1]=4 8110 B16R1.1694 C=CCCN[C@@H](C)COCc1ccccc1 011140fb3f6aa2c5c5acd4f98d1051d2 [0,0,0,0,0,2|1,0,1]=4 8111 B16R1.1694 C=CCCN[C@H](C)COCc1ccccc1 f0b8b7294676936ec7607e814aa2d8d1 [0,0,0,0,0,2|1,0,1]=4 8112 B16R1.1694 CC(CCCc1ccccc1)NCCC#N 8f6fa03569226f8cce68737801d3d867 [0,0,0,0,0,2|0,0,0]=2 8113 B16R1.1694 CC(CCCc1ccccc1)NCCC=O c026c43531fa58b594199342f0131354 [0,0,0,0,0,2|1,0,1]=4 8114 B16R1.1694 CC(CCCc1ccccc1)NCCCF ef98c9b387c11f1550002894b0d9101c [0,0,0,0,0,2|1,0,1]=4 8115 B16R1.1694 CC(CCCc1ccccc1)NCCCO 236acf5b7933f95bf30145e39a49b76e [0,0,0,0,0,2|1,0,1]=4 8116 B16R1.1694 CC(CCCc1ccccc1)NCCCS d3d36eae27f51a9a38d5d29c56a24b4c [0,0,0,0,0,2|1,0,1]=4 8117 B16R1.1694 CC(CCCc1cccnc1)OCCC#N 65794294f851339818002f0a5cae331e [0,0,0,0,0,2|2,0,0]=4 8118 B16R1.1694 CC(CNCC#N)COCc1ccccc1 3ba8563311de05961fa9ae376f29efc4 [0,0,0,0,0,2|2,0,0]=4 8119 B16R1.1694 CC(COCC#N)COCc1ccccc1 d6360aa2d4aee9e745b05019fc334a36 [0,0,0,0,0,2|2,0,0]=4 8120 B16R1.1694 CC(COCc1ccccc1)NCCC#N 38fc9ff679baa04a4e4dfa8eaf4a2aeb [0,0,0,0,0,2|0,0,0]=2 8121 B16R1.1694 CC(COCc1ccccc1)NCCC=O ef9616ca9bdde4194c7eb06aabb0d456 [0,0,0,0,0,2|1,0,1]=4 8122 B16R1.1694 CC(COCc1ccccc1)NCCCCl d2bec5e83837b7fac64c0aa92cd4725a [0,0,0,0,0,2|1,0,1]=4 8123 B16R1.1694 CC(COCc1ccccc1)NCCCF e894e79f8aac92515b5f6edad9a5ac51 [0,0,0,0,0,2|1,0,1]=4 8124 B16R1.1694 CC(COCc1ccccc1)NCCCO 736d588eb9812f5058e53841d57517eb [0,0,0,0,0,2|1,0,1]=4 8125 B16R1.1694 CC(COCc1ccccc1)NCCCS 58e6da83db5b5022d9350b6f94e1382b [0,0,0,0,0,2|1,0,1]=4 8126 B16R1.1694 CC(COCc1ccccc1)OCCC#N 1f3d5ef64a3c1072c2d5dcd569fe8eb9 [0,0,0,0,0,2|1,0,0]=3 8127 B16R1.1694 CC(COCc1ccccc1)OCSC#N d763b3130259bbf9c34341a9fa2b04b1 [0,0,0,0,0,2|2,0,0]=4 8128 B16R1.1694 CCCCNC(C)CCCc1ccccc1 0d774c3ef0408ec30d3c6e6e2fcd59f7 [0,0,0,0,0,2|1,0,1]=4 8129 B16R1.1694 CCCCNC(C)COCc1ccccc1 98d07bd32e138c657dc99049af783abf [0,0,0,0,0,2|1,0,1]=4 8130 B16R1.1694 CCCCN[C@@H](C)COCc1ccccc1 b4eff946e94be638ae3856feca32a8ce [0,0,0,0,0,2|1,0,1]=4 8131 B16R1.1694 CN(C/C=C/c1ccccc1)CCCC#N 8b5c1f39247d597f8d326a38b20461d6 [0,0,0,0,0,2|2,0,0]=4 8132 B16R1.1694 CN(CCCC#N)CCOc1ccccc1 063740d94a51eb9794357a64fe80c635 [0,0,0,0,0,2|2,0,0]=4 8133 B16R1.1694 COCCNC(C)CCCc1ccccc1 99aadb54165d7032d665e94022f56769 [0,0,0,0,0,2|2,0,0]=4 8134 B16R1.1694 COCCNC(C)COCc1ccccc1 9ace0ffbfe8591fa59f6f7cba769b43e [0,0,0,0,0,2|2,0,0]=4 8135 B16R1.1694 COCCN[C@@H](C)COCc1ccccc1 a172270b6b6131737a396c1de38dc963 [0,0,0,0,0,2|2,0,0]=4 8136 B16R1.1694 CSCCNC(C)CCCc1ccccc1 125051407740159ff5e3928c2519f57b [0,0,0,0,0,2|2,0,0]=4 8137 B16R1.1694 CSCCNC(C)COCc1ccccc1 4556d5a0fa31bf3056d46274f08bc814 [0,0,0,0,0,2|2,0,0]=4 8138 B16R1.1694 CSCCN[C@@H](C)COCc1ccccc1 fe305834d08d2c02cb9271cdfa955625 [0,0,0,0,0,2|2,0,0]=4 8139 B16R1.1694 C[C@@H](COCc1ccccc1)NCCC#N 095730128766c258dde160344eecd537 [0,0,0,0,0,2|0,0,0]=2 8140 B16R1.1694 C[C@@H](COCc1ccccc1)NCCC=O 049cc3ecc12b71b680ac3ef40134f0b8 [0,0,0,0,0,2|1,0,1]=4 8141 B16R1.1694 C[C@@H](COCc1ccccc1)NCCCF 0091e667b1540cb683d5ba7ad5a9c1bf [0,0,0,0,0,2|1,0,1]=4 8142 B16R1.1694 C[C@@H](COCc1ccccc1)NCCCO 4526d9e48bea4954f6c5d8eb21d9b8c0 [0,0,0,0,0,2|1,0,1]=4 8143 B16R1.1694 C[C@@H](COCc1ccccc1)NCCCS ec7e0b99226d04297840a03a844e9f0f [0,0,0,0,0,2|1,0,1]=4 8144 B16R1.1694 C[C@@H](COCc1ccccc1)OCCC#N b8d33b1d4aa5a0a2c76a50131881b770 [0,0,0,0,0,2|1,0,0]=3 8145 B16R1.1694 C[C@@H](COCc1ccccc1)OCSC#N 3ec3f6c810f9ef7f9e896397021a3610 [0,0,0,0,0,2|2,0,0]=4 8146 B16R1.1694 C[C@H](COCc1ccccc1)NCCCCl 20c69dca986e5beafe0b71c50dfa64cc [0,0,0,0,0,2|1,0,1]=4 8147 B16R1.1694 C[C@H](COCc1ccccc1)OCCC#N 8095697772267b7c627bff5934da96cf [0,0,0,0,0,2|1,0,0]=3 8148 B16R1.1694 C[C@H](COCc1ccccc1)OCSC#N 32df15ec8726202b883029e8df92684e [0,0,0,0,0,2|2,0,0]=4 8149 B16R1.1694 N#CCCNC(=O)/C=C/Cc1ccccc1 20525b5fc96095e323113c251aea4549 [0,0,0,0,0,2|1,0,1]=4 8150 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 fd9138f1d050030feda3f0fc9df38843 [0,0,0,0,0,2|1,0,1]=4 8151 B16R1.1694 N#CCCNC(=O)CC=Cc1ccccc1 835b070273ea612f22cb05ae533c959b [0,0,0,0,0,2|1,0,1]=4 8152 B16R1.1694 N#CCCNC(=O)CCCc1ccccc1 73c9d581519f898b0f71c38ed307d31c [0,0,0,0,0,2|1,0,1]=4 8153 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 28ba415c58280ec4baa1eaccc9890bd0 [0,0,0,0,0,2|1,0,1]=4 8154 B16R1.1694 N#CCCNC(=O)CCSc1ccccc1 113fca086dc8525e7076210c9483b660 [0,0,0,0,0,2|1,0,1]=4 8155 B16R1.1694 N#CCCNC(=O)CNCc1ccccc1 49dfa748c135341eb9d0a27b0247ab5a [0,0,0,0,0,2|1,0,1]=4 8156 B16R1.1694 N#CCCNC(=O)COCc1ccccc1 721e4f6601d5a920192ef092a5a09710 [0,0,0,0,0,2|1,0,1]=4 8157 B16R1.1694 N#CCCNC(=O)CSCc1ccccc1 e056661f6725185453ee308ea2cae77b [0,0,0,0,0,2|1,0,1]=4 8158 B16R1.1694 N#CCCNC(=O)NCCc1ccccc1 2c9311f19cd5aa1d006abcc992dc8bcd [0,0,0,0,0,2|1,0,1]=4 8159 B16R1.1694 N#CCCNC(=S)NCCc1ccccc1 1c0d0872ea3849bd08c3d6fc16fae963 [0,0,0,0,0,2|1,0,1]=4