0 B13R2.10 Cc1cc(on1)c2ccccc2 8aa0d052c9e30fcd44c374e36bf93612 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.10 Cc1ccc(o1)c2ccccc2 4fcff6ba21693662fadcf2b756a10be4 [0,0,0,0,0,0|1,0,3]=4 2 B13R2.10 Cc1cnc(o1)c2ccccc2 8be3dfddb880dcb9f44d2ed553f1e2bf [0,0,0,0,0,0|1,0,3]=4 3 B13R2.10 Cc1coc(c1)c2ccccc2 54c39e2e17614b64e0e91f8d08357a5f [0,0,0,0,0,0|1,0,3]=4 4 B13R2.10 Cc1coc(n1)c2ccccc2 ae62d0a7a03ddcad3951e8f063376e25 [0,0,0,0,0,0|1,0,3]=4 5 B13R2.10 Cc1ncc(o1)c2ccccc2 985733a4b804c9a5227f4d50087af44a [0,0,0,0,0,0|2,0,2]=4 6 B13R2.10 Cc1nnc(o1)c2ccccc2 92a516d60d6164c27ce0f67a28d224d9 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.10 Cc1noc(n1)c2ccccc2 02b7093a9dc3219517391e3c24642e52 [0,0,0,0,0,0|2,0,2]=4 8 B14R2.8 CCN1CCC(C1)c2ccccc2 606e44703daaee4bdef4e99638b65314 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.8 CCN1CC[C@@H](C1)c2ccccc2 37c93a7a994535b2f71d11cf85fd6214 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.8 CCN1CC[C@H](C1)c2ccccc2 4da1ac37bacd62311a7b31bb9681d50d [0,1,0,0,0,0|3,0,0]=4 11 B14R2.8 FCN1CCC(C1)c2ccccc2 ae3055e0778e5ea792a4d1eb161c12fc [0,1,0,0,0,0|3,0,0]=4 12 B14R2.8 FCN1CC[C@@H](C1)c2ccccc2 03702a4b1e156bda2eb6372c98bc176b [0,1,0,0,0,0|3,0,0]=4 13 B14R2.8 FCN1CC[C@H](C1)c2ccccc2 e0b78ad02db786d89ced33f1e6ac1f4b [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8 OCN1CCC(C1)c2ccccc2 18386c30e8d58ead0d8d6f697b2ed046 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.8 OCN1CC[C@@H](C1)c2ccccc2 d271bff166d793aa45d9dcbc0c7bb865 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8 OCN1CC[C@H](C1)c2ccccc2 7473c4e81f1ef15a974aec0cb3ed6d5c [0,1,0,0,0,0|3,0,0]=4 17 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,0,1,0,0,0|1,0,1]=3 18 B12R1.3 C#CC(OCC)c1ccccn1 170918ff09a3c87415cb6c1fc061e643 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.3 C#CC(OCC)c1ccncc1 cdbf8744c43aef348457409185486eae [0,0,1,0,0,0|2,0,1]=4 20 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,0,1,0,0,0|1,0,1]=3 22 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,0,1,0,0,0|1,0,1]=3 24 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,0,1,0,0,0|2,0,1]=4 25 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,0,1,0,0,0|2,0,1]=4 26 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,0,1,0,0,0|1,0,1]=3 27 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,0,1,0,0,0|2,0,1]=4 29 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,0,1,0,0,0|3,0,0]=4 32 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,0,1,0,0,0|2,0,0]=3 33 B12R1.3 CCCN(CC)c1ccccc1 5ea19e4bc735ea7f3069a2089b17f98f [0,0,1,0,0,0|3,0,0]=4 34 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.3 CCNC(CC)c1ccccn1 d1e9b5de2ccb0e4722c0772533316408 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.3 CCNC(CC)c1cccnc1 183e03f7f6827f9f25dce9a8d81e707c [0,0,1,0,0,0|3,0,0]=4 38 B12R1.3 CCNC(CC)c1ccncc1 677ee2285d647e3f30ca8e6c526afe68 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,0,1,0,0,0|3,0,0]=4 40 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,0,1,0,0,0|2,0,0]=3 41 B12R1.3 CCN[C@@H](CC)c1ccccn1 c2e742d207a0e06763cd9384a5387e76 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.3 CCN[C@@H](CC)c1ccncc1 ec2d00a048bef655edcca69146cce022 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,0,1,0,0,0|3,0,0]=4 44 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,0,1,0,0,0|2,0,0]=3 46 B12R1.3 CCN[C@H](CC)c1ccccn1 2dbd84955b60e7af57981642eed8719d [0,0,1,0,0,0|3,0,0]=4 47 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,0,1,0,0,0|3,0,0]=4 48 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,0,1,0,0,0|2,0,0]=3 49 B12R1.3 CCOC(C#N)c1cccnc1 3523c3ce9970c59f6dd43d4c2635e7bb [0,0,1,0,0,0|3,0,0]=4 50 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,0,1,0,0,0|1,0,0]=2 51 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,0,1,0,0,0|2,0,0]=3 52 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,0,1,0,0,0|1,0,0]=2 54 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,0,1,0,0,0|1,0,0]=2 55 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,0,1,0,0,0|2,0,0]=3 56 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,0,1,0,0,0|3,0,0]=4 57 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,0,1,0,0,0|2,0,0]=3 59 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,0,1,0,0,0|3,0,0]=4 61 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,0,1,0,0,0|2,0,0]=3 62 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,0,1,0,0,0|3,0,0]=4 63 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,0,1,0,0,0|3,0,0]=4 64 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,0,1,0,0,0|3,0,0]=4 66 B12R1.27 C#CC(C)NCc1ccccc1 0c823c8410acc72523ada4697880703b [0,0,1,0,0,0|2,0,1]=4 67 B12R1.27 C#CC(C)OCc1ccccc1 f6359202a87cde289007d81369eaa165 [0,0,1,0,0,0|1,0,1]=3 68 B12R1.27 C#CC(C)OCc1ccccn1 903ee5413328087e012403be2a6f9a74 [0,0,1,0,0,0|2,0,1]=4 69 B12R1.27 C#CC(C)OCc1cccnc1 27bc712e2a2f5b54ccb587c26321c64b [0,0,1,0,0,0|2,0,1]=4 70 B12R1.27 C#C[C@@H](C)NCc1ccccc1 51fd06b5dc99f337c53516eb04becf75 [0,0,1,0,0,0|2,0,1]=4 71 B12R1.27 C#C[C@@H](C)OCc1ccccc1 5a1f683c3ddc74682e7065902596ab4b [0,0,1,0,0,0|1,0,1]=3 72 B12R1.27 C#C[C@@H](C)OCc1ccccn1 04d0f33658cd73c944a5f8ac187b6720 [0,0,1,0,0,0|2,0,1]=4 73 B12R1.27 C#C[C@@H](C)OCc1cccnc1 31f57c38c83a01a7e153c545431ffed8 [0,0,1,0,0,0|2,0,1]=4 74 B12R1.27 C#C[C@H](C)NCc1ccccc1 5c0b47a0f6d5613da204666041aaf216 [0,0,1,0,0,0|2,0,1]=4 75 B12R1.27 C#C[C@H](C)OCc1ccccc1 760d62af860bc17bf4194987b15f5245 [0,0,1,0,0,0|1,0,1]=3 76 B12R1.27 C#C[C@H](C)OCc1ccccn1 194393544ea69e88ea521cbd4a133ce5 [0,0,1,0,0,0|2,0,1]=4 77 B12R1.27 C#C[C@H](C)OCc1cccnc1 0a831b0ff4f14fb1e4243b0eac6fb036 [0,0,1,0,0,0|2,0,1]=4 78 B12R1.27 C=CC(C)NCc1ccccc1 a2d84df39e96bf4d63bb9a0f31cf21bd [0,0,1,0,0,0|2,0,1]=4 79 B12R1.27 C=CC(C)OCc1ccccc1 5eba3aa739773a1c08ab0c58859512d1 [0,0,1,0,0,0|1,0,1]=3 80 B12R1.27 C=CC(C)OCc1ccccn1 bbdfd69ebb8ab53913fa15d4b2825809 [0,0,1,0,0,0|2,0,1]=4 81 B12R1.27 C=CC(C)OCc1cccnc1 0e2ae91440488b0d8d3e25a4e88da374 [0,0,1,0,0,0|2,0,1]=4 82 B12R1.27 C=CC(C)OCc1ccncc1 e24f5025453a289dfa949961b31f46dd [0,0,1,0,0,0|2,0,1]=4 83 B12R1.27 C=C[C@H](C)OCc1ccccc1 723c5fd60a5c4ba97fa272fb1c420579 [0,0,1,0,0,0|1,0,1]=3 84 B12R1.27 C=C[C@H](C)OCc1ccccn1 9eb6fc20ae0d5afdfad18379d27f9f8b [0,0,1,0,0,0|2,0,1]=4 85 B12R1.27 C=C[C@H](C)OCc1cccnc1 06e7b3e5ebf7969bdca7cd59c31810f0 [0,0,1,0,0,0|2,0,1]=4 86 B12R1.27 CC(C#N)NCc1ccccc1 a297cbe65f4070e0226da02d61e71151 [0,0,1,0,0,0|2,0,1]=4 87 B12R1.27 CC(C=O)NCc1ccccc1 52acbe8f861a146c2fae15c546c154ce [0,0,1,0,0,0|1,0,2]=4 88 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [0,0,1,0,0,0|0,0,2]=3 89 B12R1.27 CC(C=O)OCc1ccccn1 1cd8eadb46df6e59cb4a04a39c1e77c7 [0,0,1,0,0,0|1,0,2]=4 90 B12R1.27 CC(C=O)OCc1cccnc1 51ede6b99e44af095a1dfaa30f3ea80e [0,0,1,0,0,0|1,0,2]=4 91 B12R1.27 CC(C=O)OCc1ccncc1 82db9291823d6d4efb135b517d9dc049 [0,0,1,0,0,0|1,0,2]=4 92 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [0,0,1,0,0,0|1,0,0]=2 93 B12R1.27 CC(CF)OCc1ccccn1 0d7b7c864206636c9235d181d09d6b15 [0,0,1,0,0,0|2,0,0]=3 94 B12R1.27 CC(CF)OCc1cccnc1 dcd165da872903498dbd39f6392c4596 [0,0,1,0,0,0|2,0,0]=3 95 B12R1.27 CC(CF)OCc1cccnn1 2c6b5889e411e9f53b3bd7e4e48410da [0,0,1,0,0,0|3,0,0]=4 96 B12R1.27 CC(CF)OCc1ccncn1 7eb50aaf117aa7f61d2941f6dd6c4fce [0,0,1,0,0,0|3,0,0]=4 97 B12R1.27 CC(CF)OCc1cncnc1 b8fd096cbc6c93ca7d0bf968668f45d4 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.27 CC(CF)OCc1ncccn1 efeafcf08dded6fb6ac0d0bf6fb697f6 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [0,0,1,0,0,0|2,0,0]=3 100 B12R1.27 CC(CO)CNc1ccccn1 9228158f05cdce3bcf2332746a0d5a23 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.27 CC(CO)CNc1cccnc1 801122522d7c4cbfe437832579f981bf [0,0,1,0,0,0|3,0,0]=4 102 B12R1.27 CC(CO)CNc1ccncc1 40e833cdc1404a8681b4db576acfe323 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [0,0,1,0,0,0|1,0,0]=2 104 B12R1.27 CC(CO)NCc1ccccn1 dc606027ab1cf21842521e3cd6aab041 [0,0,1,0,0,0|2,0,0]=3 105 B12R1.27 CC(CO)NCc1cccnc1 80adcdefa26a29e6989696dff2f189ce [0,0,1,0,0,0|2,0,0]=3 106 B12R1.27 CC(CO)NCc1cccnn1 c0ae66a6706b4b09ae7fbfdd61df0b00 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.27 CC(CO)NCc1ccncc1 9672e7a66b4b38bfe57c10026c0328a2 [0,0,1,0,0,0|2,0,0]=3 108 B12R1.27 CC(CO)NCc1ccncn1 eeb32be9623ececc3cd1b1108d4a73d9 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.27 CC(CO)NCc1ccnnc1 b000a1f808d028c5c52000e71e5aa2bc [0,0,1,0,0,0|3,0,0]=4 110 B12R1.27 CC(CO)NCc1cnccn1 c4d9086c3d359aa0fead8d59b651d860 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.27 CC(CO)NCc1cncnc1 4baf132c2cabed4f1213cc5f82034422 [0,0,1,0,0,0|3,0,0]=4 112 B12R1.27 CC(CO)NCc1ncccn1 837e97a48ad085370e6b0d812fd567c5 [0,0,1,0,0,0|3,0,0]=4 113 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [0,0,1,0,0,0|0,1,0]=2 114 B12R1.27 CC(CS)OCc1ccccn1 d5c25dfa8bcef5c73ff7d0ae8229ced9 [0,0,1,0,0,0|1,1,0]=3 115 B12R1.27 CC(CS)OCc1cccnc1 c6dbc5eba4423fac160580b226332d7c [0,0,1,0,0,0|1,1,0]=3 116 B12R1.27 CC(CS)OCc1cccnn1 a0872fdb6d741d866e92a6ca3a80681f [0,0,1,0,0,0|2,1,0]=4 117 B12R1.27 CC(CS)OCc1ccncn1 6bc0b1ad4d781f68d45af34f251458c6 [0,0,1,0,0,0|2,1,0]=4 118 B12R1.27 CC(CS)OCc1cncnc1 9b9e3a5e726b1263c15615ccb674f86d [0,0,1,0,0,0|2,1,0]=4 119 B12R1.27 CC(CS)OCc1ncccn1 ae0239a16957c280a40779b5f9f2f28f [0,0,1,0,0,0|2,1,0]=4 120 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [0,0,1,0,0,0|3,0,0]=4 121 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [0,0,1,0,0,0|2,0,0]=3 122 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [0,0,1,0,0,0|3,0,0]=4 125 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [0,0,1,0,0,0|1,0,0]=2 126 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [0,0,1,0,0,0|2,0,0]=3 127 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.27 CCC(C)OCc1cccnn1 931286049d3813ef6a988d4bb07d95ff [0,0,1,0,0,0|3,0,0]=4 129 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [0,0,1,0,0,0|2,0,0]=3 130 B12R1.27 CCC(C)OCc1ccncn1 e6dd96fe0be9c443333ddd94f3b52c38 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.27 CCC(C)OCc1ccnnc1 6a16e1bd70177a493b3b9c8dbfb1e9da [0,0,1,0,0,0|3,0,0]=4 132 B12R1.27 CCC(C)OCc1cnccn1 989f83298573eea5a35c1e5bc64dd4aa [0,0,1,0,0,0|3,0,0]=4 133 B12R1.27 CCC(C)OCc1cncnc1 2ea00c80b231a702b7043d7784076322 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.27 CCC(C)OCc1ncccn1 38a703d49d9020f50edd3359d9d3a942 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [0,0,1,0,0,0|2,0,0]=3 138 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [0,0,1,0,0,0|3,0,0]=4 140 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [0,0,1,0,0,0|1,0,0]=2 141 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [0,0,1,0,0,0|2,0,0]=3 142 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [0,0,1,0,0,0|2,0,0]=3 143 B12R1.27 CC[C@@H](C)OCc1cccnn1 2fac72deb935cb1047377c76377e9d51 [0,0,1,0,0,0|3,0,0]=4 144 B12R1.27 CC[C@@H](C)OCc1ccncn1 6836f2a86da52782b28754e4db4a7845 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.27 CC[C@@H](C)OCc1cncnc1 bcc96b1e54394299fc88f0441148dce2 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.27 CC[C@@H](C)OCc1ncccn1 0a03468190ed42b08f9cfae2cfb173a4 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [0,0,1,0,0,0|3,0,0]=4 148 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [0,0,1,0,0,0|2,0,0]=3 149 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [0,0,1,0,0,0|3,0,0]=4 150 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [0,0,1,0,0,0|1,0,0]=2 152 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [0,0,1,0,0,0|2,0,0]=3 153 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [0,0,1,0,0,0|2,0,0]=3 154 B12R1.27 CC[C@H](C)OCc1cccnn1 140744aee80ca8123abb7507b4305d28 [0,0,1,0,0,0|3,0,0]=4 155 B12R1.27 CC[C@H](C)OCc1ccncn1 35f3c9d29295bb910146093a6786c4b1 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.27 CC[C@H](C)OCc1cncnc1 13b1c6e0aa4db96427c863609dca197b [0,0,1,0,0,0|3,0,0]=4 157 B12R1.27 CC[C@H](C)OCc1ncccn1 181b6f3316ad03af0956648dba459c7a [0,0,1,0,0,0|3,0,0]=4 158 B12R1.27 CN(CF)CCc1ccccc1 af958a660e6bf737d02c2dfab1bc467d [0,0,1,0,0,0|3,0,0]=4 159 B12R1.27 CN(CO)CCc1ccccc1 c9a67cdf713e4c874ec2d63ed5e8590a [0,0,1,0,0,0|2,0,0]=3 160 B12R1.27 CN(CO)CCc1ccccn1 aa0d4ac6d05fc927494412ee9fe9c7cc [0,0,1,0,0,0|3,0,0]=4 161 B12R1.27 CN(CO)CCc1cccnc1 b13669a1ddf1ac46ef1460e055843b9e [0,0,1,0,0,0|3,0,0]=4 162 B12R1.27 CN(CO)CCc1ccncc1 d571b134ccefa2efaeb2d36d2248e45c [0,0,1,0,0,0|3,0,0]=4 163 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [0,0,1,0,0,0|2,0,0]=3 164 B12R1.27 C[C@@H](CO)CNc1ccccn1 af016b84d95f1080f07ef6f02d15824a [0,0,1,0,0,0|3,0,0]=4 165 B12R1.27 C[C@@H](CO)CNc1cccnc1 6052f0c67d4cdd3f80ceffbd11480331 [0,0,1,0,0,0|3,0,0]=4 166 B12R1.27 C[C@@H](CO)CNc1ccncc1 f14674535a69f3232455d568e370ba78 [0,0,1,0,0,0|3,0,0]=4 167 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [0,0,1,0,0,0|1,0,0]=2 168 B12R1.27 C[C@@H](CO)NCc1ccccn1 24b346e5ac8cec24f6566fe18f21e557 [0,0,1,0,0,0|2,0,0]=3 169 B12R1.27 C[C@@H](CO)NCc1cccnc1 c05978b6b00adbcee4f88cca44b079ed [0,0,1,0,0,0|2,0,0]=3 170 B12R1.27 C[C@@H](CO)NCc1cccnn1 05a1dc5c207ae3eee6144f6e1c657205 [0,0,1,0,0,0|3,0,0]=4 171 B12R1.27 C[C@@H](CO)NCc1ccncc1 5b07b762d221cbddc1d819cacc34979c [0,0,1,0,0,0|2,0,0]=3 172 B12R1.27 C[C@@H](CO)NCc1ccncn1 f6ff3ba88bfe69e87216c2a7058d07f8 [0,0,1,0,0,0|3,0,0]=4 173 B12R1.27 C[C@@H](CO)NCc1ccnnc1 602b58db0892c99d23481e8ecf4bc7eb [0,0,1,0,0,0|3,0,0]=4 174 B12R1.27 C[C@@H](CO)NCc1cnccn1 848c1433beb181bd59c54d3b96b16fa8 [0,0,1,0,0,0|3,0,0]=4 175 B12R1.27 C[C@@H](CO)NCc1cncnc1 7062307e6488c38c00784838f500b75b [0,0,1,0,0,0|3,0,0]=4 176 B12R1.27 C[C@@H](CO)NCc1ncccn1 18b98af25da2c21ca4e52167d59e15d7 [0,0,1,0,0,0|3,0,0]=4 177 B12R1.27 C[C@H](C=O)NCc1ccccc1 645b627cd889138b5240bcb1ce686b72 [0,0,1,0,0,0|1,0,2]=4 178 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [0,0,1,0,0,0|0,0,2]=3 179 B12R1.27 C[C@H](C=O)OCc1ccccn1 77e036a149c9b895f58a4f79f65d470f [0,0,1,0,0,0|1,0,2]=4 180 B12R1.27 C[C@H](C=O)OCc1cccnc1 56d6eb81a4dd63eb667314ef58479328 [0,0,1,0,0,0|1,0,2]=4 181 B12R1.27 C[C@H](C=O)OCc1ccncc1 4516527db7ccfbd7ba68d2eb1b2efd9c [0,0,1,0,0,0|1,0,2]=4 182 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [0,0,1,0,0,0|2,0,0]=3 183 B12R1.27 C[C@H](CO)CNc1ccccn1 e822e956d48a344afeb617359365dcfb [0,0,1,0,0,0|3,0,0]=4 184 B12R1.27 C[C@H](CO)CNc1cccnc1 27ef93a68bfc032deefa13733949bda2 [0,0,1,0,0,0|3,0,0]=4 185 B12R1.27 C[C@H](CO)CNc1ccncc1 4fd9d26d176ae9102178ddd2e18bcf70 [0,0,1,0,0,0|3,0,0]=4 186 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [0,0,1,0,0,0|1,0,0]=2 187 B12R1.27 C[C@H](CO)NCc1ccccn1 f876cbcb18ab33a44cd48067a6e0c620 [0,0,1,0,0,0|2,0,0]=3 188 B12R1.27 C[C@H](CO)NCc1cccnc1 21544267eb570ab70ec823c251a550b0 [0,0,1,0,0,0|2,0,0]=3 189 B12R1.27 C[C@H](CO)NCc1cccnn1 1a2bd735b97b66ca6ea47e333ae5c2c6 [0,0,1,0,0,0|3,0,0]=4 190 B12R1.27 C[C@H](CO)NCc1ccncc1 7dbeacc2c2607a95fa1f0ce20b03a078 [0,0,1,0,0,0|2,0,0]=3 191 B12R1.27 C[C@H](CO)NCc1ccncn1 c32e0f5fede4f5050d0aa02b72ffe485 [0,0,1,0,0,0|3,0,0]=4 192 B12R1.27 C[C@H](CO)NCc1ccnnc1 74241780e18870a69ac7c87826b5a58a [0,0,1,0,0,0|3,0,0]=4 193 B12R1.27 C[C@H](CO)NCc1cnccn1 aa92059eda1f440fdfb5e1dbb18875a2 [0,0,1,0,0,0|3,0,0]=4 194 B12R1.27 C[C@H](CO)NCc1cncnc1 8e45c1650fb11b8b52cada27361a54d9 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.27 C[C@H](CO)NCc1ncccn1 0f954e7651a99fa27d25d1118270587f [0,0,1,0,0,0|3,0,0]=4 196 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [0,0,1,0,0,0|0,1,0]=2 197 B12R1.27 C[C@H](CS)OCc1ccccn1 bfa2f3c46950c58e36e3009f57740457 [0,0,1,0,0,0|1,1,0]=3 198 B12R1.27 C[C@H](CS)OCc1cccnc1 ac5d95777938b777033779188a5a5b0a [0,0,1,0,0,0|1,1,0]=3 199 B12R1.27 C[C@H](CS)OCc1cccnn1 ed596dc0487d88f9c4050fab00936dd6 [0,0,1,0,0,0|2,1,0]=4 200 B12R1.27 C[C@H](CS)OCc1ccncn1 bcfae6bd9da7a561bbca62d1ea19c5d1 [0,0,1,0,0,0|2,1,0]=4 201 B12R1.27 C[C@H](CS)OCc1cncnc1 27466e64ef4bd3a766e0a36ea2722f43 [0,0,1,0,0,0|2,1,0]=4 202 B12R1.27 C[C@H](CS)OCc1ncccn1 58841d38a292b01728562b6a0e3ba5a4 [0,0,1,0,0,0|2,1,0]=4 203 B12R1.27 O=C(CO)NCc1ccccc1 f4f787a5214848c6970058ebdb73c876 [0,0,1,0,0,0|2,0,1]=4 204 B12R1.27 OCC(F)CNc1ccccc1 12f6637854cd5607d7beeb33d98c9d66 [0,0,1,0,0,0|3,0,0]=4 205 B12R1.27 OCC(O)CNc1ccccc1 2c98ea52c81c0230088b12196d6eb24a [0,0,1,0,0,0|3,0,0]=4 206 B12R1.27 OC[C@@H](F)CNc1ccccc1 df0a72159854bbc7d14ee531e659ec9c [0,0,1,0,0,0|3,0,0]=4 207 B12R1.27 OC[C@@H](O)CNc1ccccc1 d5ed593b781b051c17ac5c0f665c9b28 [0,0,1,0,0,0|3,0,0]=4 208 B12R1.27 OC[C@H](F)CNc1ccccc1 9734eac13b001b84d3ee28ab012b0276 [0,0,1,0,0,0|3,0,0]=4 209 B12R1.27 OC[C@H](O)CNc1ccccc1 4df6835ea35fcadc1546d95d2a23469d [0,0,1,0,0,0|3,0,0]=4 210 B12R1.30 C#CCOC(C)c1ccccc1 29a457d91187748bd9fba937b2dce22a [0,0,1,0,0,0|1,0,2]=4 211 B12R1.30 C#CCO[C@@H](C)c1ccccc1 a17750258d0bbb03a82d71c12a4ef66f [0,0,1,0,0,0|1,0,2]=4 212 B12R1.30 C#CCO[C@H](C)c1ccccc1 daa23676a75f018b9eb1a615337c3d8a [0,0,1,0,0,0|1,0,2]=4 213 B12R1.30 C=CCOC(C)c1ccccc1 8044d3406b23fdabe4ad5833cf2a8d4b [0,0,1,0,0,0|1,0,2]=4 214 B12R1.30 C=CCO[C@@H](C)c1ccccc1 a727c5edd06769bc0527d3d68934d138 [0,0,1,0,0,0|1,0,2]=4 215 B12R1.30 C=CCO[C@H](C)c1ccccc1 ff3f82ad85551dde7fcd068107420df1 [0,0,1,0,0,0|1,0,2]=4 216 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [0,0,1,0,0,0|3,0,0]=4 217 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [0,0,1,0,0,0|3,0,0]=4 219 B12R1.30 CC(OCC#N)c1ccccc1 1ec1dc9da1f2b2c8e841a4b7ee7f537f [0,0,1,0,0,0|2,0,1]=4 220 B12R1.30 CC(OCC=O)c1ccccc1 5c4b88cbd6ba661cea0ad67f126d3e82 [0,0,1,0,0,0|2,0,1]=4 221 B12R1.30 CC(OCCF)c1ccccc1 296004c8a3c297153de64ff701a708ab [0,0,1,0,0,0|2,0,0]=3 222 B12R1.30 CC(OCCF)c1ccccn1 1e34d1fd3e0ec6ea60da54fdaef9c85f [0,0,1,0,0,0|3,0,0]=4 223 B12R1.30 CC(OCCF)c1cccnc1 98746f7ef16d61be172e1b4730ee6c59 [0,0,1,0,0,0|3,0,0]=4 224 B12R1.30 CC(OCCF)c1ccncc1 2fd99a52aa1b5385b3d4e118d8f00646 [0,0,1,0,0,0|3,0,0]=4 225 B12R1.30 CC(OCCS)c1ccccc1 8a2d25daddbc7e25b5ea41349af0bdcf [0,0,1,0,0,0|2,0,0]=3 226 B12R1.30 CC(OCCS)c1ccccn1 6fa6a7898d0d08fa2306db1213a20785 [0,0,1,0,0,0|3,0,0]=4 227 B12R1.30 CC(OCCS)c1cccnc1 f4e3b8480b601c42b0835714b4b72018 [0,0,1,0,0,0|3,0,0]=4 228 B12R1.30 CC(OCCS)c1ccncc1 85b5e549ddd47782d9dcd4ed95346b84 [0,0,1,0,0,0|3,0,0]=4 229 B12R1.30 CCCCN(C)c1ccccc1 5138c426816999d109cc4a6b536acc57 [0,0,1,0,0,0|3,0,0]=4 230 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,0,1,0,0,0|1,0,2]=4 231 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,0,1,0,0,0|2,0,0]=3 232 B12R1.30 CCCNC(C)c1ccccn1 cc14fd04410800b4bd6435a8ddd3bb22 [0,0,1,0,0,0|3,0,0]=4 233 B12R1.30 CCCNC(C)c1cccnc1 ad711bb62eeb1aee43dc7dd8f93d36ef [0,0,1,0,0,0|3,0,0]=4 234 B12R1.30 CCCNC(C)c1ccncc1 5bbf0ec17de63181b9f984c6ee459099 [0,0,1,0,0,0|3,0,0]=4 235 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,0,1,0,0,0|2,0,0]=3 236 B12R1.30 CCCN[C@@H](C)c1ccccn1 03c5378eb87bcbab461643e14036da7b [0,0,1,0,0,0|3,0,0]=4 237 B12R1.30 CCCN[C@@H](C)c1cccnc1 ebfd88cd08246c9c4c8dd5665a36e4de [0,0,1,0,0,0|3,0,0]=4 238 B12R1.30 CCCN[C@@H](C)c1ccncc1 247a85b98e9473b8ba80ebe1aa76666d [0,0,1,0,0,0|3,0,0]=4 239 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,0,1,0,0,0|2,0,0]=3 240 B12R1.30 CCCN[C@H](C)c1ccccn1 b254cf125be5ff667ba0c27b98f7399e [0,0,1,0,0,0|3,0,0]=4 241 B12R1.30 CCCN[C@H](C)c1cccnc1 336ef7d0edfb76e914cc3e6724738449 [0,0,1,0,0,0|3,0,0]=4 242 B12R1.30 CCCN[C@H](C)c1ccncc1 c38d0e044de489d76af7664dba013771 [0,0,1,0,0,0|3,0,0]=4 243 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [0,0,1,0,0,0|1,0,0]=2 244 B12R1.30 CCCOC(C)c1ccccn1 b39d3fe2e04295201526414ffb8b346f [0,0,1,0,0,0|2,0,0]=3 245 B12R1.30 CCCOC(C)c1cccnc1 b4a5c4f0d8d2d6a3dec1c8ec47f4f20f [0,0,1,0,0,0|2,0,0]=3 246 B12R1.30 CCCOC(C)c1cccnn1 dbc29eb8155416655d21726e180a271c [0,0,1,0,0,0|3,0,0]=4 247 B12R1.30 CCCOC(C)c1ccncc1 23b85e46df5ec55325d031745f8d75b2 [0,0,1,0,0,0|2,0,0]=3 248 B12R1.30 CCCOC(C)c1cnccn1 4299c6c51693e9ffa4917243495f6064 [0,0,1,0,0,0|3,0,0]=4 249 B12R1.30 CCCOC(C)c1ncccn1 fb06000019c7617767b94335fe2c0dce [0,0,1,0,0,0|3,0,0]=4 250 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [0,0,1,0,0,0|1,0,0]=2 251 B12R1.30 CCCO[C@@H](C)c1ccccn1 180a656c513628a596211eb51193e51c [0,0,1,0,0,0|2,0,0]=3 252 B12R1.30 CCCO[C@@H](C)c1cccnc1 a6442581c5df29535d93cb8f5fa5694f [0,0,1,0,0,0|2,0,0]=3 253 B12R1.30 CCCO[C@@H](C)c1ccncc1 f346339788fa1f3b54ec1b08208e6598 [0,0,1,0,0,0|2,0,0]=3 254 B12R1.30 CCCO[C@@H](C)c1ccncn1 3eb8112858fffed2c75f8ad0fdf97d61 [0,0,1,0,0,0|3,0,0]=4 255 B12R1.30 CCCO[C@@H](C)c1cnccn1 d510915090cb0263183ec6af29fdbf7d [0,0,1,0,0,0|3,0,0]=4 256 B12R1.30 CCCO[C@@H](C)c1ncccn1 1040378add10d12bd4a753b845a4b1df [0,0,1,0,0,0|3,0,0]=4 257 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [0,0,1,0,0,0|1,0,0]=2 258 B12R1.30 CCCO[C@H](C)c1ccccn1 59ae42f1d2cbb8cb8fe36530c47f41d1 [0,0,1,0,0,0|2,0,0]=3 259 B12R1.30 CCCO[C@H](C)c1cccnc1 fec7058011aa3e2c96cfd1d3b525aa6e [0,0,1,0,0,0|2,0,0]=3 260 B12R1.30 CCCO[C@H](C)c1cccnn1 5367bf5d4aa77dfd47ea27bfcee6ea8c [0,0,1,0,0,0|3,0,0]=4 261 B12R1.30 CCCO[C@H](C)c1ccncc1 cb8ccc8bc89fedd96f0e6231288da52e [0,0,1,0,0,0|2,0,0]=3 262 B12R1.30 CCCO[C@H](C)c1cnccn1 df70c13c08be6c0da83a94b74bf03245 [0,0,1,0,0,0|3,0,0]=4 263 B12R1.30 CCCO[C@H](C)c1ncccn1 5ac02d395e6aecd416cc185f1c3ee11f [0,0,1,0,0,0|3,0,0]=4 264 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,0,1,0,0,0|3,0,0]=4 265 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [0,0,1,0,0,0|2,0,0]=3 266 B12R1.30 CCNCC(O)c1ccccn1 6b1c434bb8a1b8b261ec43b19c8a9bde [0,0,1,0,0,0|3,0,0]=4 267 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [0,0,1,0,0,0|3,0,0]=4 268 B12R1.30 CCNCC(O)c1ccncc1 3f7210030fe9a0f2bae5b80e88f85abe [0,0,1,0,0,0|3,0,0]=4 269 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,0,1,0,0,0|3,0,0]=4 270 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [0,0,1,0,0,0|2,0,0]=3 271 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,0,1,0,0,0|3,0,0]=4 272 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [0,0,1,0,0,0|2,0,0]=3 273 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,0,1,0,0,0|3,0,0]=4 274 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,0,1,0,0,0|3,0,0]=4 275 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,0,1,0,0,0|3,0,0]=4 276 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,0,1,0,0,0|3,0,0]=4 277 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,0,1,0,0,0|3,0,0]=4 278 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,0,1,0,0,0|3,0,0]=4 279 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [0,0,1,0,0,0|2,0,0]=3 280 B12R1.30 COCOC(C)c1ccccn1 96e3f8673063db846b1328064926b8e5 [0,0,1,0,0,0|3,0,0]=4 281 B12R1.30 COCOC(C)c1cccnc1 643684e61fedf53617fedae92fa75424 [0,0,1,0,0,0|3,0,0]=4 282 B12R1.30 COCOC(C)c1ccncc1 e713cf3a963edba7c0b8cf8e46dda145 [0,0,1,0,0,0|3,0,0]=4 283 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [0,0,1,0,0,0|2,0,0]=3 284 B12R1.30 COCO[C@@H](C)c1ccccn1 2377670b88698f2edbc70d4e18de68ac [0,0,1,0,0,0|3,0,0]=4 285 B12R1.30 COCO[C@@H](C)c1cccnc1 17fd6c5b51edf6fabed3ef2792222607 [0,0,1,0,0,0|3,0,0]=4 286 B12R1.30 COCO[C@@H](C)c1ccncc1 1238319c035b42c93f1000c64c766fa2 [0,0,1,0,0,0|3,0,0]=4 287 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [0,0,1,0,0,0|2,0,0]=3 288 B12R1.30 COCO[C@H](C)c1ccccn1 458a21f21c67e992b19f7c56288b02ea [0,0,1,0,0,0|3,0,0]=4 289 B12R1.30 COCO[C@H](C)c1cccnc1 34e6426da9f6f855e9b1fb3a0535c51c [0,0,1,0,0,0|3,0,0]=4 290 B12R1.30 COCO[C@H](C)c1ccncc1 c5dbb60f43a9a1932fd8194dbc2609ff [0,0,1,0,0,0|3,0,0]=4 291 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [0,0,1,0,0,0|3,0,0]=4 292 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [0,0,1,0,0,0|3,0,0]=4 293 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [0,0,1,0,0,0|3,0,0]=4 294 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [0,0,1,0,0,0|2,0,0]=3 295 B12R1.30 CSCOC(C)c1ccccn1 3962a04da2204a1cf7830ac87133888a [0,0,1,0,0,0|3,0,0]=4 296 B12R1.30 CSCOC(C)c1cccnc1 506088ce45beb9c36ff46608da654d32 [0,0,1,0,0,0|3,0,0]=4 297 B12R1.30 CSCOC(C)c1ccncc1 7ce593b87d9d6445cabbd9c7e4a9cecc [0,0,1,0,0,0|3,0,0]=4 298 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [0,0,1,0,0,0|2,0,0]=3 299 B12R1.30 CSCO[C@@H](C)c1ccccn1 e9e6ffeb6ad8c32ddf7c2cb22d9b25ee [0,0,1,0,0,0|3,0,0]=4 300 B12R1.30 CSCO[C@@H](C)c1cccnc1 6799e68b88695adbe9845652e8cf13f8 [0,0,1,0,0,0|3,0,0]=4 301 B12R1.30 CSCO[C@@H](C)c1ccncc1 3e71fd0162eefef395d929c84a37af2d [0,0,1,0,0,0|3,0,0]=4 302 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [0,0,1,0,0,0|2,0,0]=3 303 B12R1.30 CSCO[C@H](C)c1ccccn1 0ecacf74edbb4be90693870fe439bf49 [0,0,1,0,0,0|3,0,0]=4 304 B12R1.30 CSCO[C@H](C)c1cccnc1 730885ff2e1d3d49743ef910d1431b30 [0,0,1,0,0,0|3,0,0]=4 305 B12R1.30 CSCO[C@H](C)c1ccncc1 ffb348d899af6643c368889d3ed9e037 [0,0,1,0,0,0|3,0,0]=4 306 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [0,0,1,0,0,0|3,0,0]=4 307 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [0,0,1,0,0,0|3,0,0]=4 308 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [0,0,1,0,0,0|3,0,0]=4 309 B12R1.30 C[C@@H](OCC#N)c1ccccc1 b7bf8cbcee7c14c575bc4d4a84868d53 [0,0,1,0,0,0|2,0,1]=4 310 B12R1.30 C[C@@H](OCC=O)c1ccccc1 2ac21f5d0549ec288424cc0d2265d67c [0,0,1,0,0,0|2,0,1]=4 311 B12R1.30 C[C@@H](OCCF)c1ccccc1 203a44e775c1adfe6a43ad6321e3d4aa [0,0,1,0,0,0|2,0,0]=3 312 B12R1.30 C[C@@H](OCCF)c1ccccn1 306dcb258e36cc782fdcf000c106db6f [0,0,1,0,0,0|3,0,0]=4 313 B12R1.30 C[C@@H](OCCF)c1cccnc1 6a3742b6aeb10bfd8630f9322804c184 [0,0,1,0,0,0|3,0,0]=4 314 B12R1.30 C[C@@H](OCCF)c1ccncc1 9ca8f057b584d7865baf30c9804c1471 [0,0,1,0,0,0|3,0,0]=4 315 B12R1.30 C[C@@H](OCCS)c1ccccc1 831161e77b199edd57098275b43b0190 [0,0,1,0,0,0|2,0,0]=3 316 B12R1.30 C[C@@H](OCCS)c1ccccn1 00966c93f3a32971e22b816f853a389e [0,0,1,0,0,0|3,0,0]=4 317 B12R1.30 C[C@@H](OCCS)c1cccnc1 d6da99f8c2b9434d3cc09ce712188144 [0,0,1,0,0,0|3,0,0]=4 318 B12R1.30 C[C@@H](OCCS)c1ccncc1 8b78a7064bd055cef5a899538bcf5919 [0,0,1,0,0,0|3,0,0]=4 319 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [0,0,1,0,0,0|3,0,0]=4 320 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [0,0,1,0,0,0|3,0,0]=4 321 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [0,0,1,0,0,0|3,0,0]=4 322 B12R1.30 C[C@H](OCC#N)c1ccccc1 dec9f32ff56faa2d18e3e3c1709f800a [0,0,1,0,0,0|2,0,1]=4 323 B12R1.30 C[C@H](OCC=O)c1ccccc1 00d569f48b2d6afec7a482be4dffe552 [0,0,1,0,0,0|2,0,1]=4 324 B12R1.30 C[C@H](OCCF)c1ccccc1 c0748435be7f607898a504b3471e7402 [0,0,1,0,0,0|2,0,0]=3 325 B12R1.30 C[C@H](OCCF)c1ccccn1 eb41a7ae9bfefe79c79492164ee8d675 [0,0,1,0,0,0|3,0,0]=4 326 B12R1.30 C[C@H](OCCF)c1cccnc1 56b5df1d6daccd65bac8f52b25674d64 [0,0,1,0,0,0|3,0,0]=4 327 B12R1.30 C[C@H](OCCF)c1ccncc1 3c1b0c9b96f911a2c92d45ec8c7e7146 [0,0,1,0,0,0|3,0,0]=4 328 B12R1.30 C[C@H](OCCS)c1ccccc1 37922141bea6d1cffd84b12460e94096 [0,0,1,0,0,0|2,0,0]=3 329 B12R1.30 C[C@H](OCCS)c1ccccn1 065ed8aaf45ef6ab5be60abd14e2bec7 [0,0,1,0,0,0|3,0,0]=4 330 B12R1.30 C[C@H](OCCS)c1cccnc1 5d1eb8a0b2f3130d914871e9f0d962e5 [0,0,1,0,0,0|3,0,0]=4 331 B12R1.30 C[C@H](OCCS)c1ccncc1 78167650c274e1c0818cb36619849a6d [0,0,1,0,0,0|3,0,0]=4 332 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [0,0,1,0,0,0|3,0,0]=4 333 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [0,0,1,0,0,0|3,0,0]=4 334 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [0,0,1,0,0,0|3,0,0]=4 335 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [0,0,1,0,0,0|3,0,0]=4 336 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [0,0,1,0,0,0|3,0,0]=4 337 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [0,0,1,0,0,0|3,0,0]=4 338 B12R1.107 CC(C)CN(C)c1ccccc1 95fef0ba310b862ee7742e989aa00371 [0,0,1,0,0,0|3,0,0]=4 339 B12R1.107 CC(C)NC(C)c1ccccn1 7a8a49744ff2dc697705e105a4d29b31 [0,0,1,0,0,0|3,0,0]=4 340 B12R1.107 CC(C)NC(C)c1cccnc1 f83045cb9bb475cbbd0d72c753be3dbb [0,0,1,0,0,0|3,0,0]=4 341 B12R1.107 CC(C)NC(C)c1ccncc1 4565af1a01c9e3a5c5433e3411958097 [0,0,1,0,0,0|3,0,0]=4 342 B12R1.107 CC(C)N[C@@H](C)c1ccccn1 5a8182a5c2834a1b8d14a1d525ca73eb [0,0,1,0,0,0|3,0,0]=4 343 B12R1.107 CC(C)N[C@@H](C)c1cccnc1 bba252309d650ecc30069f3dddd1b105 [0,0,1,0,0,0|3,0,0]=4 344 B12R1.107 CC(C)N[C@@H](C)c1ccncc1 775d0cb56d3dd6bc4738e2685aee9f6a [0,0,1,0,0,0|3,0,0]=4 345 B12R1.107 CC(C)N[C@H](C)c1ccccn1 8a594a7c5da3e31c163d1068dcac9471 [0,0,1,0,0,0|3,0,0]=4 346 B12R1.107 CC(C)N[C@H](C)c1cccnc1 ce94c3a37523dd9db9b3b4f768ea9506 [0,0,1,0,0,0|3,0,0]=4 347 B12R1.107 CC(C)N[C@H](C)c1ccncc1 a8f7ac5675fa91c5d895f344e2b2bc66 [0,0,1,0,0,0|3,0,0]=4 348 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [0,0,1,0,0,0|1,0,0]=2 349 B12R1.107 CC(C)OC(C)c1ccccn1 e36bdb169f8c2820d6238217cf2c0c9b [0,0,1,0,0,0|2,0,0]=3 350 B12R1.107 CC(C)OC(C)c1cccnc1 a720356d264ae2e2bd94268a34af0246 [0,0,1,0,0,0|2,0,0]=3 351 B12R1.107 CC(C)OC(C)c1cccnn1 b9a675cb0413e62ea73a2fc61b472f4c [0,0,1,0,0,0|3,0,0]=4 352 B12R1.107 CC(C)OC(C)c1ccncc1 dff8cce62d02c112ddba22a89b06b30b [0,0,1,0,0,0|2,0,0]=3 353 B12R1.107 CC(C)OC(C)c1cnccn1 49dbbb014eb1d6d6604592a692551887 [0,0,1,0,0,0|3,0,0]=4 354 B12R1.107 CC(C)OC(C)c1ncccn1 b23cbc3cd3127cb04e9d3cc352ec230e [0,0,1,0,0,0|3,0,0]=4 355 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [0,0,1,0,0,0|1,0,0]=2 356 B12R1.107 CC(C)O[C@@H](C)c1ccccn1 6a258a3944fb55be34cbeaa329643f08 [0,0,1,0,0,0|2,0,0]=3 357 B12R1.107 CC(C)O[C@@H](C)c1cccnc1 e078965ffd7282aede11459af9dd81de [0,0,1,0,0,0|2,0,0]=3 358 B12R1.107 CC(C)O[C@@H](C)c1ccncc1 a72003c25fd185808d9c1b428a24fd38 [0,0,1,0,0,0|2,0,0]=3 359 B12R1.107 CC(C)O[C@@H](C)c1ccncn1 bed54438b6203db69d9a1a5ad07b2058 [0,0,1,0,0,0|3,0,0]=4 360 B12R1.107 CC(C)O[C@@H](C)c1cnccn1 009a5e07c5407526fe204e5b95c47bc3 [0,0,1,0,0,0|3,0,0]=4 361 B12R1.107 CC(C)O[C@@H](C)c1ncccn1 56e13dc95b010111c031baa3ea76a9e4 [0,0,1,0,0,0|3,0,0]=4 362 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [0,0,1,0,0,0|1,0,0]=2 363 B12R1.107 CC(C)O[C@H](C)c1ccccn1 328ee8bf306075f10d7c4472fab39f5c [0,0,1,0,0,0|2,0,0]=3 364 B12R1.107 CC(C)O[C@H](C)c1cccnc1 8b46fac7478602a39d5771164fd44ea8 [0,0,1,0,0,0|2,0,0]=3 365 B12R1.107 CC(C)O[C@H](C)c1cccnn1 258869d92b5c7432895492f62b948e1d [0,0,1,0,0,0|3,0,0]=4 366 B12R1.107 CC(C)O[C@H](C)c1ccncc1 0ca354191167bd77b68c3f542b91cfff [0,0,1,0,0,0|2,0,0]=3 367 B12R1.107 CC(C)O[C@H](C)c1cnccn1 9a9e1989e4a9739b76eb56e3ea916435 [0,0,1,0,0,0|3,0,0]=4 368 B12R1.107 CC(C)O[C@H](C)c1ncccn1 b27fe86b2e773326c121cfd8807cedb9 [0,0,1,0,0,0|3,0,0]=4 369 B12R1.252 C=C(Br)COCc1ccccc1 03171f9a997e7b5e8cadd59a879b8b6c [0,0,1,0,0,0|1,0,2]=4 370 B12R1.252 C=C(C)CNCc1ccccc1 5d90204cfd05ab0918bdacf95677a05b [0,0,1,0,0,0|2,0,1]=4 371 B12R1.252 C=C(C)COCc1ccccc1 f4499d14dd2f7bb4726f716f15e929df [0,0,1,0,0,0|1,0,1]=3 372 B12R1.252 C=C(C)COCc1ccccn1 6969eb42119ffe7768529c61d80d21e6 [0,0,1,0,0,0|2,0,1]=4 373 B12R1.252 C=C(C)COCc1cccnc1 b1309dd5e0e34a6f1f94f4da7e73dca6 [0,0,1,0,0,0|2,0,1]=4 374 B12R1.252 C=C(C)COCc1ccncc1 59009e1728de50bbf4f23e46b346867c [0,0,1,0,0,0|2,0,1]=4 375 B12R1.252 C=C(Cl)COCc1ccccc1 8ea87585e2ec6fc9c83af9159d3e33eb [0,0,1,0,0,0|1,0,2]=4 376 B12R1.252 C=C(F)COCc1ccccc1 0270311e0993ffc2a11a2318afb6410f [0,0,1,0,0,0|1,0,2]=4 377 B12R1.252 C=C(I)COCc1ccccc1 516dafeab05685e2cd864f8688136ad5 [0,0,1,0,0,0|1,0,2]=4 378 B12R1.252 CC(=O)CNCc1ccccc1 5e4599c3af112643425e1a35238a896f [0,0,1,0,0,0|1,0,2]=4 379 B12R1.252 CC(=O)COCc1ccccc1 18daaa7c0d669a182de591929c861cbe [0,0,1,0,0,0|0,0,2]=3 380 B12R1.252 CC(=O)COCc1ccccn1 f8ed3ffb815bee7f1737eacfe042d64f [0,0,1,0,0,0|1,0,2]=4 381 B12R1.252 CC(=O)COCc1cccnc1 36638c01e0a61511be9d007508b97b48 [0,0,1,0,0,0|1,0,2]=4 382 B12R1.252 CC(C)CCNc1ccccc1 a9665cd268e7b4518a4ee939be46ff28 [0,0,1,0,0,0|3,0,0]=4 383 B12R1.252 CC(C)CNCc1ccccc1 c48ab8ad76cb980676fd518bfed01255 [0,0,1,0,0,0|2,0,0]=3 384 B12R1.252 CC(C)CNCc1ccccn1 6d7ebb6c45d12163344e2670abad50d7 [0,0,1,0,0,0|3,0,0]=4 385 B12R1.252 CC(C)CNCc1cccnc1 317cc81cae733d174c088ce8c918791e [0,0,1,0,0,0|3,0,0]=4 386 B12R1.252 CC(C)CNCc1ccncc1 e68ace07204ad5f64fa8daf124fe226c [0,0,1,0,0,0|3,0,0]=4 387 B12R1.252 CC(C)COCc1ccccc1 5769ac6c29ea9be863f0068a3148d1e9 [0,0,1,0,0,0|1,0,0]=2 388 B12R1.252 CC(C)COCc1ccccn1 41f471be8d0443a395a59a6edd4b2170 [0,0,1,0,0,0|2,0,0]=3 389 B12R1.252 CC(C)COCc1cccnc1 e949ee90c476dd3afee631c02891b751 [0,0,1,0,0,0|2,0,0]=3 390 B12R1.252 CC(C)COCc1cccnn1 bcec46c8daa86302f285ba1f41a4db4d [0,0,1,0,0,0|3,0,0]=4 391 B12R1.252 CC(C)COCc1ccncc1 243716518cbf836169ff83c6e87d1a68 [0,0,1,0,0,0|2,0,0]=3 392 B12R1.252 CC(C)COCc1ccncn1 504e9144090fa54e034f83efb4a8bc6c [0,0,1,0,0,0|3,0,0]=4 393 B12R1.252 CC(C)COCc1ccnnc1 ff5d3e92e07d7c89d2f784ea78b2a712 [0,0,1,0,0,0|3,0,0]=4 394 B12R1.252 CC(C)COCc1cnccn1 54d1f572f89be35af98ac5c6d0a00bd4 [0,0,1,0,0,0|3,0,0]=4 395 B12R1.252 CC(C)COCc1cncnc1 82d59111480f34498710471232a2f8e6 [0,0,1,0,0,0|3,0,0]=4 396 B12R1.252 CC(C)COCc1ncccn1 33688b887bd33e4027684b65bbdc620c [0,0,1,0,0,0|3,0,0]=4 397 B12R1.252 CC(C)NCCc1ccccc1 800f62166be48d31d0f1f8e8246a3d11 [0,0,1,0,0,0|3,0,0]=4 398 B12R1.252 CC(C)OCCc1ccccc1 cd2036e50db53ec52d80c5b70290b19c [0,0,1,0,0,0|3,0,0]=4 399 B12R1.252 CC(F)COCc1ccccc1 ceaaa348669e5aa8cbad2a4c64558f8e [0,0,1,0,0,0|1,0,0]=2 400 B12R1.252 CC(F)COCc1ccccn1 476695497df80cb7c084184b5b43d035 [0,0,1,0,0,0|2,0,0]=3 401 B12R1.252 CC(F)COCc1cccnc1 c074e95bfd5d6d05bfe23c42186cba2a [0,0,1,0,0,0|2,0,0]=3 402 B12R1.252 CC(F)COCc1cccnn1 a8676d0003d9a388121c44b40728d121 [0,0,1,0,0,0|3,0,0]=4 403 B12R1.252 CC(F)COCc1ccncn1 e66fcc367d7980f6bc6aae01f6a3dcca [0,0,1,0,0,0|3,0,0]=4 404 B12R1.252 CC(F)COCc1cncnc1 8a1dba7261b289eecc7c37a372cdfe43 [0,0,1,0,0,0|3,0,0]=4 405 B12R1.252 CC(F)COCc1ncccn1 b164a01eba2e6ffed2b68a89c16a263d [0,0,1,0,0,0|3,0,0]=4 406 B12R1.252 CC(O)CCNc1ccccc1 5c6c9358fbd8939fc6c9f54dcb2d3a37 [0,0,1,0,0,0|2,0,0]=3 407 B12R1.252 CC(O)CCNc1ccccn1 97031b4d64979d289ef04acc206d003e [0,0,1,0,0,0|3,0,0]=4 408 B12R1.252 CC(O)CCNc1cccnc1 ddabe466465a030ebf6055c0cc168740 [0,0,1,0,0,0|3,0,0]=4 409 B12R1.252 CC(O)CCNc1ccncc1 c1ccc95455595767ca368700397c2d43 [0,0,1,0,0,0|3,0,0]=4 410 B12R1.252 CC(O)CNCc1ccccc1 19d19f96fb686d7cbd72f5df359e9dd8 [0,0,1,0,0,0|1,0,0]=2 411 B12R1.252 CC(O)CNCc1ccccn1 e28c29c938e18ad1238cd975f89a06a8 [0,0,1,0,0,0|2,0,0]=3 412 B12R1.252 CC(O)CNCc1cccnc1 0379a455e7b583f17fba58d3189059b6 [0,0,1,0,0,0|2,0,0]=3 413 B12R1.252 CC(O)CNCc1cccnn1 ca0f502bcc801933ee5c767e5093148e [0,0,1,0,0,0|3,0,0]=4 414 B12R1.252 CC(O)CNCc1ccncc1 e21fcdc654ebe2a7b579b387cc55b8af [0,0,1,0,0,0|2,0,0]=3 415 B12R1.252 CC(O)CNCc1ccncn1 7a5d78fb681ded42d2d147fe1c55e164 [0,0,1,0,0,0|3,0,0]=4 416 B12R1.252 CC(O)CNCc1ccnnc1 63d088ff8ad7b93fb69e3ad1f2381588 [0,0,1,0,0,0|3,0,0]=4 417 B12R1.252 CC(O)CNCc1cnccn1 c8835bddb9845c918606787997b443d4 [0,0,1,0,0,0|3,0,0]=4 418 B12R1.252 CC(O)CNCc1cncnc1 151206bce7a643e1e4818f076bf8f1d9 [0,0,1,0,0,0|3,0,0]=4 419 B12R1.252 CC(O)CNCc1ncccn1 94e03f4ed43c28d3bc90554d2a7d489e [0,0,1,0,0,0|3,0,0]=4 420 B12R1.252 CC(S)COCc1ccccc1 a2dbb8c27ced04cd31e27a2a08aed095 [0,0,1,0,0,0|0,1,0]=2 421 B12R1.252 CC(S)COCc1ccccn1 a4f3c7b4dcc63c52aaa45bb366b1ace4 [0,0,1,0,0,0|1,1,0]=3 422 B12R1.252 CC(S)COCc1cccnc1 355ce467de5bbf28efe4538348b90e14 [0,0,1,0,0,0|1,1,0]=3 423 B12R1.252 CC(S)COCc1cccnn1 d2ecb2d0e631a99f442e857229dbdd98 [0,0,1,0,0,0|2,1,0]=4 424 B12R1.252 CC(S)COCc1ccncn1 950c30d73f3928e6c48b7ade8fe9fd37 [0,0,1,0,0,0|2,1,0]=4 425 B12R1.252 CC(S)COCc1cncnc1 d68e602e35e59e87317aa2e9eec6f5f4 [0,0,1,0,0,0|2,1,0]=4 426 B12R1.252 CC(S)COCc1ncccn1 f43e202e339061758ab99ff5a34648cc [0,0,1,0,0,0|2,1,0]=4 427 B12R1.252 CN(C)CNCc1ccccc1 0202e986c8da8d9c48034425b18c3dfe [0,0,1,0,0,0|3,0,0]=4 428 B12R1.252 CN(C)COCc1ccccc1 a063060d7f5ce478c07330412cbf8447 [0,0,1,0,0,0|2,0,0]=3 429 B12R1.252 CN(C)COCc1ccccn1 3a10a8f32d4655fe62f905c50c31c2d8 [0,0,1,0,0,0|3,0,0]=4 430 B12R1.252 CN(C)COCc1cccnc1 0f0029a575393373338b79601babfc55 [0,0,1,0,0,0|3,0,0]=4 431 B12R1.252 CN(C)COCc1ccncc1 64013abc6fb1891b992e5cf59135b9d7 [0,0,1,0,0,0|3,0,0]=4 432 B12R1.252 C[C@@H](F)COCc1ccccc1 ba1a50f79e3a1a52d90fe2949f8a3658 [0,0,1,0,0,0|1,0,0]=2 433 B12R1.252 C[C@@H](F)COCc1ccccn1 25305c43f86a522a8b001eca7d58c6e1 [0,0,1,0,0,0|2,0,0]=3 434 B12R1.252 C[C@@H](F)COCc1cccnc1 aed0ead164612a30bbdf73120135ebce [0,0,1,0,0,0|2,0,0]=3 435 B12R1.252 C[C@@H](F)COCc1cccnn1 06cb4b03e5d2138a02ec68b491d736db [0,0,1,0,0,0|3,0,0]=4 436 B12R1.252 C[C@@H](F)COCc1ccncn1 719b49a72c09f7d762d98352aa2ee153 [0,0,1,0,0,0|3,0,0]=4 437 B12R1.252 C[C@@H](F)COCc1cncnc1 6c6b988da2bf934da719d30239039da0 [0,0,1,0,0,0|3,0,0]=4 438 B12R1.252 C[C@@H](F)COCc1ncccn1 0be2c0fc83116bf68d16d48e2175abbd [0,0,1,0,0,0|3,0,0]=4 439 B12R1.252 C[C@@H](O)CCNc1ccccc1 3c324f6ae4acc93f637fccf82ee7ce0d [0,0,1,0,0,0|2,0,0]=3 440 B12R1.252 C[C@@H](O)CCNc1cccnc1 d2f9effd7c499379710e94d2300db828 [0,0,1,0,0,0|3,0,0]=4 441 B12R1.252 C[C@@H](O)CCNc1ccncc1 1357dd9581462a38875d3aa4d1c252b3 [0,0,1,0,0,0|3,0,0]=4 442 B12R1.252 C[C@@H](O)CNCc1ccccc1 6c2312c00225852faacfd748f3e179a9 [0,0,1,0,0,0|1,0,0]=2 443 B12R1.252 C[C@@H](O)CNCc1ccccn1 451f5ffb0f29e3e72e062344afb5a2f0 [0,0,1,0,0,0|2,0,0]=3 444 B12R1.252 C[C@@H](O)CNCc1cccnc1 b84ffcc76f02e485a00f4000a256d608 [0,0,1,0,0,0|2,0,0]=3 445 B12R1.252 C[C@@H](O)CNCc1cccnn1 cd1031e294d6f0d361dd47fa33d49ff3 [0,0,1,0,0,0|3,0,0]=4 446 B12R1.252 C[C@@H](O)CNCc1ccncc1 ae74cf20bb99ef533f01677aac980ef0 [0,0,1,0,0,0|2,0,0]=3 447 B12R1.252 C[C@@H](O)CNCc1ccncn1 736b6f19c1f730535787b4bd97f49fab [0,0,1,0,0,0|3,0,0]=4 448 B12R1.252 C[C@@H](O)CNCc1ccnnc1 a6adabbfe9ec36728297c10c7c100d6e [0,0,1,0,0,0|3,0,0]=4 449 B12R1.252 C[C@@H](O)CNCc1cnccn1 eef2e176f843886c7abc553819e37052 [0,0,1,0,0,0|3,0,0]=4 450 B12R1.252 C[C@@H](O)CNCc1cncnc1 19165fd007380eca62afeda6cfb37644 [0,0,1,0,0,0|3,0,0]=4 451 B12R1.252 C[C@@H](O)CNCc1ncccn1 0624e3b4e312bb88305cee2546fdfafe [0,0,1,0,0,0|3,0,0]=4 452 B12R1.252 C[C@H](F)COCc1ccccc1 bbc793e84de595855390c7dc0e162e4e [0,0,1,0,0,0|1,0,0]=2 453 B12R1.252 C[C@H](F)COCc1ccccn1 1c3e68e8b7d209c95b5abd8e99134585 [0,0,1,0,0,0|2,0,0]=3 454 B12R1.252 C[C@H](F)COCc1cccnc1 0c09d4ffa6c243373fe47064ad603e31 [0,0,1,0,0,0|2,0,0]=3 455 B12R1.252 C[C@H](F)COCc1cccnn1 2be52db7760fdc7844e251123071f59c [0,0,1,0,0,0|3,0,0]=4 456 B12R1.252 C[C@H](F)COCc1ccncn1 7bca4df3c29ccb83ca7218b56534d104 [0,0,1,0,0,0|3,0,0]=4 457 B12R1.252 C[C@H](F)COCc1cncnc1 9eff2fbe069ecca8868c961efa887e39 [0,0,1,0,0,0|3,0,0]=4 458 B12R1.252 C[C@H](F)COCc1ncccn1 7af5a27af441f4087010aeedfc65f0ba [0,0,1,0,0,0|3,0,0]=4 459 B12R1.252 C[C@H](O)CCNc1ccccc1 6e2f4bd6880dfbdf2c0288d2956dbdc6 [0,0,1,0,0,0|2,0,0]=3 460 B12R1.252 C[C@H](O)CCNc1cccnc1 a74a77e227ccf23689573201eeb443f8 [0,0,1,0,0,0|3,0,0]=4 461 B12R1.252 C[C@H](O)CCNc1ccncc1 b387b9f25ac0f7430597235bfa1a1caf [0,0,1,0,0,0|3,0,0]=4 462 B12R1.252 C[C@H](O)CNCc1ccccc1 300dc860ca45284f1e63efe30c8515f8 [0,0,1,0,0,0|1,0,0]=2 463 B12R1.252 C[C@H](O)CNCc1ccccn1 b271f5c0c0f30c343eeedababca7e2eb [0,0,1,0,0,0|2,0,0]=3 464 B12R1.252 C[C@H](O)CNCc1cccnc1 4f2f0e9e68ec9a4c8887410d5a461943 [0,0,1,0,0,0|2,0,0]=3 465 B12R1.252 C[C@H](O)CNCc1cccnn1 30faf4d5d2d2cfc53436874f05fa4323 [0,0,1,0,0,0|3,0,0]=4 466 B12R1.252 C[C@H](O)CNCc1ccncc1 efb723b5ed38065d1ff8f191a8967ccc [0,0,1,0,0,0|2,0,0]=3 467 B12R1.252 C[C@H](O)CNCc1ccncn1 f524766be8fbe3d3ed19bfa5c9a61a28 [0,0,1,0,0,0|3,0,0]=4 468 B12R1.252 C[C@H](O)CNCc1ccnnc1 a7bd5629dc85409dec43db9307521148 [0,0,1,0,0,0|3,0,0]=4 469 B12R1.252 C[C@H](O)CNCc1cnccn1 3fe1c33c64283497dd89455f2ff7b9fd [0,0,1,0,0,0|3,0,0]=4 470 B12R1.252 C[C@H](O)CNCc1cncnc1 43c1e13a89f1e44e47019870762f2938 [0,0,1,0,0,0|3,0,0]=4 471 B12R1.252 C[C@H](O)CNCc1ncccn1 76fcffd630239efd786e389061949a13 [0,0,1,0,0,0|3,0,0]=4 472 B12R1.252 FC(F)CNCc1ccccc1 b372a4b49b84fd81f05ebb43fbf5746e [0,0,1,0,0,0|3,0,0]=4 473 B12R1.252 FC(F)COCc1ccccc1 2df81e9a81e7d6e6e6f5c475fa361af0 [0,0,1,0,0,0|2,0,0]=3 474 B12R1.252 FC(F)COCc1ccccn1 0c03e4bfe601ba3a265a9d65726e12d8 [0,0,1,0,0,0|3,0,0]=4 475 B12R1.252 FC(F)COCc1cccnc1 3532f1ad3bafa18adc371def44f6b40f [0,0,1,0,0,0|3,0,0]=4 476 B12R1.252 FC(F)COCc1ccncc1 a025e7264740e28a91818ddabc8a4228 [0,0,1,0,0,0|3,0,0]=4 477 B12R1.252 NC(=O)COCc1ccccc1 eacdadd1a099559aa1699a209237e0c7 [0,0,1,0,0,0|1,0,2]=4 478 B12R1.252 NC(=S)COCc1ccccc1 397a628005598ffe9bcc09a6e0a362e3 [0,0,1,0,0,0|1,1,1]=4 479 B12R1.252 O=C(O)CNCc1ccccc1 db9e4b752c6e68fd22fb535c2b9167d2 [0,0,1,0,0,0|2,0,1]=4 480 B12R1.252 O=C(O)COCc1ccccc1 a919d4e5b6621fc6b657c329a5a5b2a3 [0,0,1,0,0,0|1,0,1]=3 481 B12R1.252 O=C(O)COCc1ccccn1 23d47dd96051fd1e4e6f2b6ade2c5861 [0,0,1,0,0,0|2,0,1]=4 482 B12R1.252 O=C(O)COCc1cccnc1 f0ccee5ed9ee69c492f291b8d433ec22 [0,0,1,0,0,0|2,0,1]=4 483 B12R1.252 O=C(O)COCc1ccncc1 5c10a3aeb68608515bbdc7a10de9fb73 [0,0,1,0,0,0|2,0,1]=4 484 B12R1.252 O=S(O)COCc1ccccc1 b3f70ea663599ebd17c7712fcc9ee3f6 [0,0,1,0,0,0|2,0,0]=3 485 B12R1.252 O=S(O)COCc1ccccn1 82f7ef930a26c74110028b3fbc96ff09 [0,0,1,0,0,0|3,0,0]=4 486 B12R1.252 O=S(O)COCc1cccnc1 83e3ec94332cb681c92d904cbf5092fb [0,0,1,0,0,0|3,0,0]=4 487 B12R1.252 O=[N+]([O-])COCc1ccccc1 ee8d233480e436ac44b29eeacba4e8fe [0,0,1,0,0,0|2,0,1]=4 488 B14R2.19 CC1CC(CO1)Nc2ccccc2 78e783eda06b36e6eacd96cc48b9e0b8 [0,0,0,0,0,1|3,0,0]=4 489 B14R2.19 CC1CCC(C1)Nc2ccccc2 9bd3526b95035d699e0cc14d0e41e88d [0,0,0,0,0,1|2,0,0]=3 490 B14R2.19 CC1CCC(C1)Nc2cccnc2 362ed1ca3a8a0dd22c21e3e9de2881c6 [0,0,0,0,0,1|3,0,0]=4 491 B14R2.19 CC1CCC(C1)Nc2ccncc2 e0092e2df4ec99c2b5242b23072ac9fd [0,0,0,0,0,1|3,0,0]=4 492 B14R2.19 CC1CCN(C1)Cc2ccccc2 c7b0dfcb055a437774242d8e1e272cb2 [0,0,0,0,0,1|3,0,0]=4 493 B14R2.19 CN1CCC(C1)Nc2ccccc2 2f4a8bc707f5a77df7eef38229114f12 [0,0,0,0,0,1|3,0,0]=4 494 B14R2.19 OC1CCC(C1)Nc2ccccc2 ec5f85daadf598eb5dcb6e96f6403390 [0,0,0,0,0,1|3,0,0]=4 495 B14R2.19 O[C@@H]1CC[C@@H](C1)Nc2ccccc2 a42100827451b43693a7b13c5acda450 [0,0,0,0,0,1|3,0,0]=4 496 B14R2.19 O[C@@H]1CC[C@H](C1)Nc2ccccc2 737e176fa4748188ecbca682ed441577 [0,0,0,0,0,1|3,0,0]=4 497 B14R2.19 O[C@H]1CC[C@@H](C1)Nc2ccccc2 a4c627a490822f6f40bbb5a012889a8c [0,0,0,0,0,1|3,0,0]=4 498 B14R2.19 O[C@H]1CC[C@H](C1)Nc2ccccc2 a229bb8d06bc390cc28a8ba2484b1955 [0,0,0,0,0,1|3,0,0]=4 499 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [1,0,1,0,0,0|1,0,0]=3 500 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [1,0,1,0,0,0|2,0,0]=4 501 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [1,0,1,0,0,0|2,0,0]=4 502 B11R1.16 CC(OCF)c1ccncc1 6bf0979779201a0d2383a11ee6cede62 [1,0,1,0,0,0|2,0,0]=4 503 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [1,0,1,0,0,0|2,0,0]=4 504 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [1,0,1,0,0,0|1,0,0]=3 505 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [1,0,1,0,0,0|2,0,0]=4 506 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [1,0,1,0,0,0|2,0,0]=4 507 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [1,0,1,0,0,0|2,0,0]=4 508 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [1,0,1,0,0,0|1,0,0]=3 509 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [1,0,1,0,0,0|2,0,0]=4 510 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [1,0,1,0,0,0|2,0,0]=4 511 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [1,0,1,0,0,0|2,0,0]=4 512 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [1,0,1,0,0,0|1,0,0]=3 513 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [1,0,1,0,0,0|2,0,0]=4 514 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [1,0,1,0,0,0|2,0,0]=4 515 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [1,0,1,0,0,0|2,0,0]=4 516 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [1,0,1,0,0,0|0,0,0]=2 517 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [1,0,1,0,0,0|1,0,0]=3 518 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [1,0,1,0,0,0|1,0,0]=3 519 B11R1.16 CCOC(C)c1cccnn1 b45ba464b06ee6bdc1c736a50ffd8553 [1,0,1,0,0,0|2,0,0]=4 520 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [1,0,1,0,0,0|1,0,0]=3 521 B11R1.16 CCOC(C)c1cnccn1 c43729a6fd74b4ab221ba3a8754f47ca [1,0,1,0,0,0|2,0,0]=4 522 B11R1.16 CCOC(C)c1ncccn1 1fedda22cfecf8948662f3eef3f690f9 [1,0,1,0,0,0|2,0,0]=4 523 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [1,0,1,0,0,0|0,0,0]=2 524 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [1,0,1,0,0,0|1,0,0]=3 525 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [1,0,1,0,0,0|1,0,0]=3 526 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [1,0,1,0,0,0|1,0,0]=3 527 B11R1.16 CCO[C@@H](C)c1ccncn1 ecda7948a20662ef60b97d1988299e8d [1,0,1,0,0,0|2,0,0]=4 528 B11R1.16 CCO[C@@H](C)c1cnccn1 8a6e3a914bc27167363a585a0aa27251 [1,0,1,0,0,0|2,0,0]=4 529 B11R1.16 CCO[C@@H](C)c1ncccn1 4240750fe2b64fee8772620e302ddfbe [1,0,1,0,0,0|2,0,0]=4 530 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [1,0,1,0,0,0|0,0,0]=2 531 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [1,0,1,0,0,0|1,0,0]=3 532 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [1,0,1,0,0,0|1,0,0]=3 533 B11R1.16 CCO[C@H](C)c1cccnn1 5e113335bfa1da5c764374cee09167f3 [1,0,1,0,0,0|2,0,0]=4 534 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [1,0,1,0,0,0|1,0,0]=3 535 B11R1.16 CCO[C@H](C)c1cnccn1 5d3b5896b879729f1ffbe4449af13432 [1,0,1,0,0,0|2,0,0]=4 536 B11R1.16 CCO[C@H](C)c1ncccn1 f16129f9fc3238ad0c96779a2995a1df [1,0,1,0,0,0|2,0,0]=4 537 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [1,0,1,0,0,0|1,0,0]=3 538 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [1,0,1,0,0,0|2,0,0]=4 539 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [1,0,1,0,0,0|2,0,0]=4 540 B11R1.16 C[C@@H](OCF)c1ccncc1 1ab9725f241037c368e977085ea4a520 [1,0,1,0,0,0|2,0,0]=4 541 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [1,0,1,0,0,0|1,0,0]=3 542 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [1,0,1,0,0,0|2,0,0]=4 543 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [1,0,1,0,0,0|2,0,0]=4 544 B11R1.16 C[C@H](OCF)c1ccncc1 1ba2b2d00b1ff65d044471b9d6a9a89a [1,0,1,0,0,0|2,0,0]=4 545 B11R1.28 BrCCNCc1ccccc1 ac057fc43e8d6ea85181427003cd8239 [1,0,1,0,0,0|2,0,0]=4 546 B11R1.28 C#CCOCc1ccccc1 4aff10236737b564a9b29132113db7f4 [1,0,1,0,0,0|0,0,2]=4 547 B11R1.28 C=CCOCc1ccccc1 38f1b42f9627b73302287ed7d9c08f3f [1,0,1,0,0,0|0,0,2]=4 548 B11R1.28 CCCCNc1ccccc1 178647391839dfbe95aed182d7dc43ba [1,0,1,0,0,0|2,0,0]=4 549 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [1,0,1,0,0,0|1,0,0]=3 550 B11R1.28 CCCNCc1ccccn1 80119cb7f5f54b354b4e2a1110975477 [1,0,1,0,0,0|2,0,0]=4 551 B11R1.28 CCCNCc1cccnc1 bc1eb1c5ec13776685acded27d44c636 [1,0,1,0,0,0|2,0,0]=4 552 B11R1.28 CCCNCc1ccncc1 a4e33f26d038f90cea08a211a6327f1b [1,0,1,0,0,0|2,0,0]=4 553 B11R1.28 CCCOCc1ccccc1 112c1e14e862b8fbffa225764759b8ec [1,0,1,0,0,0|0,0,0]=2 554 B11R1.28 CCCOCc1ccccn1 a2de9c7a7551b2ca6641b10a888e1203 [1,0,1,0,0,0|1,0,0]=3 555 B11R1.28 CCCOCc1cccnc1 02843d33c5a54d2140670eb60a4dfb7b [1,0,1,0,0,0|1,0,0]=3 556 B11R1.28 CCCOCc1cccnn1 b324e54ae74b0a57b2f9b766e3c0e490 [1,0,1,0,0,0|2,0,0]=4 557 B11R1.28 CCCOCc1ccncc1 56ee45f2e5ce25d41ded46b7cfbb89b5 [1,0,1,0,0,0|1,0,0]=3 558 B11R1.28 CCCOCc1ccncn1 c21e413653b185c946f470cd3c989a49 [1,0,1,0,0,0|2,0,0]=4 559 B11R1.28 CCCOCc1ccnnc1 835d98ea225e99027be93ac65a9ecaeb [1,0,1,0,0,0|2,0,0]=4 560 B11R1.28 CCCOCc1cnccn1 2f92d9f2b0d873450f90961d7406570a [1,0,1,0,0,0|2,0,0]=4 561 B11R1.28 CCCOCc1cncnc1 62dd4b6cbce5110705e084fd1f6898a2 [1,0,1,0,0,0|2,0,0]=4 562 B11R1.28 CCCOCc1ncccn1 aded070bc849868bd77e139f41cc86fb [1,0,1,0,0,0|2,0,0]=4 563 B11R1.28 CCNCCc1ccccc1 a4bcdd097e726e04ab2794cdb42f5f71 [1,0,1,0,0,0|2,0,0]=4 564 B11R1.28 CCOCCc1ccccc1 4c8fc52cc53157c0b0cd10959d18f86a [1,0,1,0,0,0|2,0,0]=4 565 B11R1.28 COCNCc1ccccc1 658bb4bb78d053244c07843f6f02f062 [1,0,1,0,0,0|2,0,0]=4 566 B11R1.28 COCOCc1ccccc1 33758b3ae4df68a136cb96076fbeb2ee [1,0,1,0,0,0|1,0,0]=3 567 B11R1.28 COCOCc1ccccn1 c7e2d466f64f2796a0fb099c19cb65e2 [1,0,1,0,0,0|2,0,0]=4 568 B11R1.28 COCOCc1cccnc1 f4d73442b3dd40c1495fadfe4fccda61 [1,0,1,0,0,0|2,0,0]=4 569 B11R1.28 COCOCc1ccncc1 99c1a2805ee24504fc8830c71e80abe6 [1,0,1,0,0,0|2,0,0]=4 570 B11R1.28 CSCNCc1ccccc1 5b3aef5f0ecdedc4b2903ec980e5dc72 [1,0,1,0,0,0|2,0,0]=4 571 B11R1.28 CSCOCc1ccccc1 5941de554d8996d7d45b8f8eee2daf73 [1,0,1,0,0,0|1,0,0]=3 572 B11R1.28 CSCOCc1ccccn1 15e9634e2b7543dc2be21ac6d26f304b [1,0,1,0,0,0|2,0,0]=4 573 B11R1.28 CSCOCc1cccnc1 43f679691f8dba66a7e0f36103db118e [1,0,1,0,0,0|2,0,0]=4 574 B11R1.28 CSCOCc1ccncc1 11cf6b0bd99fe96e04f2abe6d07a06aa [1,0,1,0,0,0|2,0,0]=4 575 B11R1.28 FCCNCc1ccccc1 562ef8707f4288c2162274968d966312 [1,0,1,0,0,0|2,0,0]=4 576 B11R1.28 FCCOCc1ccccc1 d9b83bdc5263ec616987dc5988d5ee5b [1,0,1,0,0,0|1,0,0]=3 577 B11R1.28 FCCOCc1ccccn1 eeb2239e9027d0ce3a24146b5979566a [1,0,1,0,0,0|2,0,0]=4 578 B11R1.28 FCCOCc1cccnc1 e02a816ea65f063a58402293132849f2 [1,0,1,0,0,0|2,0,0]=4 579 B11R1.28 FCCOCc1ccncc1 14445d664118b43034c3d85510da7389 [1,0,1,0,0,0|2,0,0]=4 580 B11R1.28 ICCNCc1ccccc1 697ca1617b546014ae02b06ad2981d8a [1,0,1,0,0,0|2,0,0]=4 581 B11R1.28 N#CCOCc1ccccc1 c6fb0c0fa9f97c70e5fbc997cccd1b4f [1,0,1,0,0,0|1,0,1]=4 582 B11R1.28 O=CCOCc1ccccc1 7bd4c1ac5902422e7c3cafad9115c4f2 [1,0,1,0,0,0|0,0,2]=4 583 B11R1.28 OCCCNc1ccccc1 6f65c15387fc952c20110ea29ef53956 [1,0,1,0,0,0|2,0,0]=4 584 B11R1.28 OCCNCc1ccccc1 6075728aab81556d5096d2980e4afa2d [1,0,1,0,0,0|1,0,0]=3 585 B11R1.28 OCCNCc1ccccn1 aee8d8851b64ae441b47dd7c19255c9b [1,0,1,0,0,0|2,0,0]=4 586 B11R1.28 OCCNCc1cccnc1 882a81680203d781920d7144e525a6cd [1,0,1,0,0,0|2,0,0]=4 587 B11R1.28 OCCNCc1ccncc1 9ecc8a72acff6784c82756ff768b065d [1,0,1,0,0,0|2,0,0]=4 588 B11R1.28 OCNCCc1ccccc1 dba1af705064b03a49f56a10af922b9a [1,0,1,0,0,0|2,0,0]=4 589 B11R1.28 SCCNCc1ccccc1 842b711568e585283783756ca8279842 [1,0,1,0,0,0|1,1,0]=4 590 B11R1.28 SCCOCc1ccccc1 ef1d3bfcf77b316513e3e84b7d85c143 [1,0,1,0,0,0|0,1,0]=3 591 B11R1.28 SCCOCc1ccccn1 922bd68bb819886f081031e9f73951e2 [1,0,1,0,0,0|1,1,0]=4 592 B11R1.28 SCCOCc1cccnc1 c1c52e309e8814a28fb8d713bda79484 [1,0,1,0,0,0|1,1,0]=4 593 B11R1.28 SCCOCc1ccncc1 5a71ae8d634b1ad8f983b65a8abfb1e3 [1,0,1,0,0,0|1,1,0]=4 594 B11R1.91 CC(C)CNc1ccccc1 408d8a64ab70f9eca096d81d546b6049 [1,0,1,0,0,0|2,0,0]=4 595 B11R1.91 CC(C)NCc1ccccc1 60272e3c9303882f29d21331dcab1491 [1,0,1,0,0,0|1,0,0]=3 596 B11R1.91 CC(C)NCc1ccccn1 856545f5d02de0038284fed0716bf52b [1,0,1,0,0,0|2,0,0]=4 597 B11R1.91 CC(C)NCc1cccnc1 f83c1668bc1a0795e6062eecd9dab4fd [1,0,1,0,0,0|2,0,0]=4 598 B11R1.91 CC(C)NCc1ccncc1 6f1dfa66543bb67ac78a3a333bf46a66 [1,0,1,0,0,0|2,0,0]=4 599 B11R1.91 CC(C)OCc1ccccc1 7aa508df1117d05227b589ad5630d192 [1,0,1,0,0,0|0,0,0]=2 600 B11R1.91 CC(C)OCc1ccccn1 0763eb944dcd10bf40a6049a3281f0fa [1,0,1,0,0,0|1,0,0]=3 601 B11R1.91 CC(C)OCc1cccnc1 15bee2bbdfea4851383d51503cc56958 [1,0,1,0,0,0|1,0,0]=3 602 B11R1.91 CC(C)OCc1cccnn1 9e75df7bf42bec5daa46f121cb3b2fee [1,0,1,0,0,0|2,0,0]=4 603 B11R1.91 CC(C)OCc1ccncc1 6b799cfffcfa8445d7523666b8d1a250 [1,0,1,0,0,0|1,0,0]=3 604 B11R1.91 CC(C)OCc1ccncn1 8ca6a7835eff3f310e3286485f2bc8a3 [1,0,1,0,0,0|2,0,0]=4 605 B11R1.91 CC(C)OCc1ccnnc1 9f4405a184896ebf514498f5e77701bf [1,0,1,0,0,0|2,0,0]=4 606 B11R1.91 CC(C)OCc1cnccn1 e68303144f36400499d51e9b07ed6d5f [1,0,1,0,0,0|2,0,0]=4 607 B11R1.91 CC(C)OCc1cncnc1 0b9844eb4d847bf9172813d1bb5440e6 [1,0,1,0,0,0|2,0,0]=4 608 B11R1.91 CC(C)OCc1ncccn1 38d74e076887ffaed244a2918ea05836 [1,0,1,0,0,0|2,0,0]=4 609 B11R1.91 CC(O)CNc1ccccc1 bad1b8ce4c3d0d43f36328d30e7f1e89 [1,0,1,0,0,0|2,0,0]=4 610 B11R1.91 C[C@@H](O)CNc1ccccc1 3364bd989574177eabc4c47575206f02 [1,0,1,0,0,0|2,0,0]=4 611 B11R1.91 C[C@H](O)CNc1ccccc1 72a253baaf381f6699a10e01b0f0ab34 [1,0,1,0,0,0|2,0,0]=4 612 B13R1.1 C#CC(OCC)c1ccc(cc1)C 5529e146080bd4a62299519cb7fc1854 [0,1,1,0,0,0|1,0,1]=4 613 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl b777b376c1c975931e4676e098f0a7d5 [0,1,1,0,0,0|1,0,1]=4 614 B13R1.1 C#CC(OCC)c1ccc(cc1)F 9d3d42ea17795f9189f725b43c1000cf [0,1,1,0,0,0|1,0,1]=4 615 B13R1.1 C=CC(OCC)c1ccc(cc1)Br a9eec5cd12572f04a8cb96a4c8683cac [0,1,1,0,0,0|1,0,1]=4 616 B13R1.1 C=CC(OCC)c1ccc(cc1)C 4da452b1a0998305408e6ed19ee6e82e [0,1,1,0,0,0|1,0,1]=4 617 B13R1.1 C=CC(OCC)c1ccc(cc1)Cl 785008499fca1873e4546dfcce29965f [0,1,1,0,0,0|1,0,1]=4 618 B13R1.1 C=CC(OCC)c1ccc(cc1)F 99efc6806671eeb738211e2f2fc7062b [0,1,1,0,0,0|1,0,1]=4 619 B13R1.1 CCC(OCF)c1ccc(cc1)Br 6ed0716ce2804288a3628dc201108667 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.1 CCC(OCF)c1ccc(cc1)C f018ea3df9daa5e5c4c5c4f5469b248e [0,1,1,0,0,0|2,0,0]=4 621 B13R1.1 CCC(OCF)c1ccc(cc1)Cl 71d4da3cf32fbf7af8174f38f6ea2f36 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.1 CCC(OCF)c1ccc(cc1)F 48c2a6f62e62dd447ff972b9e55c3b91 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.1 CCC(OCF)c1ccc(cc1)I 60992043e07b0d749e6f9dbeaa7e9236 [0,1,1,0,0,0|2,0,0]=4 624 B13R1.1 CCNC(CC)c1ccc(cc1)Br 16bd1bd2c00d890eb6d18a8f9f30f5c3 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.1 CCNC(CC)c1ccc(cc1)C b3ab72cde68758f9b3c9da03e61e928a [0,1,1,0,0,0|2,0,0]=4 626 B13R1.1 CCNC(CC)c1ccc(cc1)Cl d545652b9b7b1da092d98f7ba6d7e92d [0,1,1,0,0,0|2,0,0]=4 627 B13R1.1 CCNC(CC)c1ccc(cc1)F c8d43b615fc82fa75349138957b2bc09 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 543903eb7cade54652ebd161aa6315c0 [0,1,1,0,0,0|2,0,0]=4 629 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 251c7327239f6860b518ca41e935ec12 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)F a2e94a235f5895beccee927e474a7fde [0,1,1,0,0,0|2,0,0]=4 631 B13R1.1 CCN[C@H](CC)c1ccc(cc1)Br 5c919db8ea36d7bcf3cb587c71ec38a6 [0,1,1,0,0,0|2,0,0]=4 632 B13R1.1 CCN[C@H](CC)c1ccc(cc1)Cl de4f023149dc328e70d11c4eff63c261 [0,1,1,0,0,0|2,0,0]=4 633 B13R1.1 CCN[C@H](CC)c1ccc(cc1)F a9bf5f750f8d69d574f3ae3ec9cdec21 [0,1,1,0,0,0|2,0,0]=4 634 B13R1.1 CCOC(CC)c1ccc(cc1)Br f4fe05b72dbbc19392aad196ab548087 [0,1,1,0,0,0|1,0,0]=3 635 B13R1.1 CCOC(CC)c1ccc(cc1)C 854c918b158e6e24a34f5b6db55af151 [0,1,1,0,0,0|1,0,0]=3 636 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 0528673a6c58b56813049e134438b6e6 [0,1,1,0,0,0|1,0,0]=3 637 B13R1.1 CCOC(CC)c1ccc(cc1)F 0ded9bbfad64296012ad229099e3e6f1 [0,1,1,0,0,0|1,0,0]=3 638 B13R1.1 CCOC(CC)c1ccc(cc1)I e79029c150d780c77b74df7cc6f83455 [0,1,1,0,0,0|1,0,0]=3 639 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 28c1a6855d2b639435be220e1b64b364 [0,1,1,0,0,0|2,0,0]=4 640 B13R1.1 CCO[C@@H](CC)c1ccc(cc1)F 6362be18a7429651ca9c279b2ca8ecc2 [0,1,1,0,0,0|1,0,0]=3 641 B13R1.1 CC[C@H](OCF)c1ccc(cc1)F 6062723005cbe62e11d3eaeb56cb9f90 [0,1,1,0,0,0|2,0,0]=4 642 B13R1.2 C#CC(OCC)c1cccc(c1)Br 037ebe8ea32150246283f8fafaf9917f [0,1,1,0,0,0|1,0,1]=4 643 B13R1.2 C#CC(OCC)c1cccc(c1)C bf1fe65f8789562ff66ccb58277d131d [0,1,1,0,0,0|1,0,1]=4 644 B13R1.2 C#CC(OCC)c1cccc(c1)Cl b74c4dc61cf693a676f1a85cc905b5ad [0,1,1,0,0,0|1,0,1]=4 645 B13R1.2 C#CC(OCC)c1cccc(c1)F 12712e33a8e5d23e6bc3dba65174c216 [0,1,1,0,0,0|1,0,1]=4 646 B13R1.2 C=CC(OCC)c1cccc(c1)Cl a65165120c7d20b19c7b0fe496c3b71f [0,1,1,0,0,0|1,0,1]=4 647 B13R1.2 C=CC(OCC)c1cccc(c1)F 2aa2b43dff07844236e43c0661b0f8a2 [0,1,1,0,0,0|1,0,1]=4 648 B13R1.2 CCC(OCF)c1cccc(c1)Br 26be9673cb8847c71527bef5035fc2e2 [0,1,1,0,0,0|2,0,0]=4 649 B13R1.2 CCC(OCF)c1cccc(c1)Cl 39417924a3130d7f82f3f520b7003033 [0,1,1,0,0,0|2,0,0]=4 650 B13R1.2 CCC(OCF)c1cccc(c1)F 42f13ab90ac02dabb0740f40c1ad297b [0,1,1,0,0,0|2,0,0]=4 651 B13R1.2 CCC(OCF)c1cccc(c1)I 548a0ee12f09208529b0b60f37a3d424 [0,1,1,0,0,0|2,0,0]=4 652 B13R1.2 CCNC(CC)c1cccc(c1)Br 7630b6f307d9519abb01abcb25ac6dbf [0,1,1,0,0,0|2,0,0]=4 653 B13R1.2 CCNC(CC)c1cccc(c1)C ef09f60d769257267f5bf8b875c5d77c [0,1,1,0,0,0|2,0,0]=4 654 B13R1.2 CCNC(CC)c1cccc(c1)Cl 5b83f0b69f7e44376edbdc8bc5e5b1b1 [0,1,1,0,0,0|2,0,0]=4 655 B13R1.2 CCNC(CC)c1cccc(c1)F e3f17bad9bc258995bb7af65eaad8073 [0,1,1,0,0,0|2,0,0]=4 656 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 521342c7af63c8e41384c5d9b4658744 [0,1,1,0,0,0|2,0,0]=4 657 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Cl aef9d2fc55db3ea260bd6202fdb31684 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.2 CCN[C@H](CC)c1cccc(c1)Br f902bd0038c268f6a58e38a6e02c3165 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.2 CCN[C@H](CC)c1cccc(c1)C f32a4c1422455f027334c7eabef6d486 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.2 CCN[C@H](CC)c1cccc(c1)Cl 125e6b3f45e5504b090600ca22813ba6 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.2 CCN[C@H](CC)c1cccc(c1)F 8e0bab638cbb7bec5d353564f713f872 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.2 CCOC(CC)c1cccc(c1)Br 68fceb128bfd5ca3125f6e1f7baf552a [0,1,1,0,0,0|1,0,0]=3 663 B13R1.2 CCOC(CC)c1cccc(c1)Cl c90fc2a3b5ef659e5d1d7fb45dcd5b87 [0,1,1,0,0,0|1,0,0]=3 664 B13R1.2 CCOC(CC)c1cccc(c1)F a508846380788000dca270ebc17b6672 [0,1,1,0,0,0|1,0,0]=3 665 B13R1.2 CCOC(CC)c1cccc(c1)I 3eb5001d1e6736af4af0ad1d51a9a664 [0,1,1,0,0,0|1,0,0]=3 666 B13R1.2 CCOC(CC)c1ccnc(c1)Cl 908dfef280dc7611d3d6dd5e854856b7 [0,1,1,0,0,0|2,0,0]=4 667 B13R1.2 CCOC(CC)c1cncc(c1)Cl 9620b26bd0e970f4ce47f6d4ace6dfe9 [0,1,1,0,0,0|2,0,0]=4 668 B13R1.2 CCOC(CC)c1cncc(c1)F 973e0d718b66f0e38523bd4360c85c2e [0,1,1,0,0,0|2,0,0]=4 669 B13R1.26 C#CC(OCCC)c1ccccc1 dcc288e8d190b4f2b3075024bd10290b [0,1,1,0,0,0|1,0,1]=4 670 B13R1.26 C#CC(OCCF)c1ccccc1 c0d69a1b33229c134f61a4086862ab8d [0,1,1,0,0,0|1,0,1]=4 671 B13R1.26 C#CC(OCCS)c1ccccc1 b0339b0abb17b91e22ea9e8de84398d5 [0,1,1,0,0,0|1,0,1]=4 672 B13R1.26 C#CC(OCSC)c1ccccc1 e4a6b44439eb8cacb5a93f84d72da357 [0,1,1,0,0,0|1,0,1]=4 673 B13R1.26 C#CCOC(CC)c1ccccc1 a6fc8f7a1a45ed2ab013e6373801e303 [0,1,1,0,0,0|1,0,1]=4 674 B13R1.26 C#CCO[C@@H](CC)c1ccccc1 d970af0f14e770649c49bb2fc79410dd [0,1,1,0,0,0|1,0,1]=4 675 B13R1.26 C#CCO[C@H](CC)c1ccccc1 95fca75cc64b279f8207a499fdcac2b8 [0,1,1,0,0,0|1,0,1]=4 676 B13R1.26 C#C[C@@H](OCCC)c1ccccc1 1273ce1ca3c01032ab728f040e8552b8 [0,1,1,0,0,0|1,0,1]=4 677 B13R1.26 C#C[C@@H](OCCF)c1ccccc1 83de9cadaa38a7c0a3ea2fc9aa74d42a [0,1,1,0,0,0|1,0,1]=4 678 B13R1.26 C#C[C@@H](OCCS)c1ccccc1 ef0e5c46efb9f9204428ca51ece91afb [0,1,1,0,0,0|1,0,1]=4 679 B13R1.26 C#C[C@@H](OCSC)c1ccccc1 86b34fa387f052529e3975673769eac2 [0,1,1,0,0,0|1,0,1]=4 680 B13R1.26 C#C[C@H](OCCC)c1ccccc1 d74d2dc3bc00f68b8403823299532818 [0,1,1,0,0,0|1,0,1]=4 681 B13R1.26 C#C[C@H](OCCF)c1ccccc1 aaf7399882230e6e76ac8d6f68c7765e [0,1,1,0,0,0|1,0,1]=4 682 B13R1.26 C#C[C@H](OCCS)c1ccccc1 895a192ca82279f0a4af220f340f9572 [0,1,1,0,0,0|1,0,1]=4 683 B13R1.26 C#C[C@H](OCSC)c1ccccc1 9b082c3de728aeec33cdd17a20c77f79 [0,1,1,0,0,0|1,0,1]=4 684 B13R1.26 C=CC(OCCC)c1ccccc1 e2fdf572fe68a7b77d24fc77ef0e2376 [0,1,1,0,0,0|1,0,1]=4 685 B13R1.26 C=CC(OCCF)c1ccccc1 1835cebbaa0db970c2121092794b6605 [0,1,1,0,0,0|1,0,1]=4 686 B13R1.26 C=CC(OCCS)c1ccccc1 6c9b683acb1943cb78050b8625d9afe4 [0,1,1,0,0,0|1,0,1]=4 687 B13R1.26 C=CC(OCOC)c1ccccc1 09ad8e53bcc834634d9d5a3df1c61fe4 [0,1,1,0,0,0|1,0,1]=4 688 B13R1.26 C=CC(OCSC)c1ccccc1 3c6965b6a99176f98e49ae5cf9b26d8e [0,1,1,0,0,0|1,0,1]=4 689 B13R1.26 C=CCOC(CC)c1ccccc1 7de1f62c2680919bccf9455a38cd5487 [0,1,1,0,0,0|1,0,1]=4 690 B13R1.26 C=CCO[C@@H](CC)c1ccccc1 9d203c9d49ee6e95dd5c3a11857451fc [0,1,1,0,0,0|1,0,1]=4 691 B13R1.26 C=CCO[C@H](CC)c1ccccc1 016e2b32220fbf5879a090e68c1fe7b4 [0,1,1,0,0,0|1,0,1]=4 692 B13R1.26 CCC(COCF)c1ccccc1 53e24ac4c9a57eb55f1864138d111827 [0,1,1,0,0,0|2,0,0]=4 693 B13R1.26 CCC(NCCBr)c1ccccc1 a495e817d218dc7813e781deb4c06a23 [0,1,1,0,0,0|2,0,0]=4 694 B13R1.26 CCC(NCCF)c1ccccc1 fb170fdbae56f1668cb23b55fcc42587 [0,1,1,0,0,0|2,0,0]=4 695 B13R1.26 CCC(NCCI)c1ccccc1 41bf0f90427caf46fcc9c623527c33e0 [0,1,1,0,0,0|2,0,0]=4 696 B13R1.26 CCC(NCCO)c1ccccc1 6f6ce25867b2a64da2a726b2cd5981a0 [0,1,1,0,0,0|2,0,0]=4 697 B13R1.26 CCC(NCCS)c1ccccc1 5e498a177f0cd8dee91132089099bb2a [0,1,1,0,0,0|2,0,0]=4 698 B13R1.26 CCC(NCOC)c1ccccc1 60e43859e010152a4c705144601e9e37 [0,1,1,0,0,0|2,0,0]=4 699 B13R1.26 CCC(NCSC)c1ccccc1 43bda086655251f5ebf109c6a7aea714 [0,1,1,0,0,0|2,0,0]=4 700 B13R1.26 CCC(OCC#N)c1ccccc1 bc4d89bf6d161deade8c190c1f9b5fae [0,1,1,0,0,0|1,0,1]=4 701 B13R1.26 CCC(OCC=O)c1ccccc1 22d631f4381eac13072af35245e75c82 [0,1,1,0,0,0|1,0,1]=4 702 B13R1.26 CCC(OCCF)c1ccccc1 5bb9124b9ef37aaf6a1284fe60a908d5 [0,1,1,0,0,0|1,0,0]=3 703 B13R1.26 CCC(OCCS)c1ccccc1 68bf3b4fd79a862466b9d344b2738804 [0,1,1,0,0,0|1,0,0]=3 704 B13R1.26 CCC(OCOC)c1ccccc1 f775411a5055d114a8235f46674da3cc [0,1,1,0,0,0|1,0,0]=3 705 B13R1.26 CCC(OCSC)c1ccccc1 9b96192dd1c6c8870f52b18d100fe29a [0,1,1,0,0,0|1,0,0]=3 706 B13R1.26 CCCNC(CC)c1ccccc1 57b82492286db168151e193d20f7132d [0,1,1,0,0,0|2,0,0]=4 707 B13R1.26 CCCN[C@@H](CC)c1ccccc1 b6f2cf87f587029f64d67b4f4bbd957c [0,1,1,0,0,0|2,0,0]=4 708 B13R1.26 CCCN[C@H](CC)c1ccccc1 b5dfa6c7f63b627d52458b08bd2cf253 [0,1,1,0,0,0|2,0,0]=4 709 B13R1.26 CCCOC(C#N)c1ccccc1 d5acd267bdbb34561413331016f8aa92 [0,1,1,0,0,0|2,0,0]=4 710 B13R1.26 CCCOC(CC)c1ccccc1 386e882a562a78a36cb1f7db4b9582fe [0,1,1,0,0,0|1,0,0]=3 711 B13R1.26 CCCOC(CF)c1ccccc1 778fa439d34b8cf619166518cbc4be13 [0,1,1,0,0,0|2,0,0]=4 712 B13R1.26 CCCO[C@@H](C#N)c1ccccc1 1de7e66b61bda39f65b117aa9042d733 [0,1,1,0,0,0|2,0,0]=4 713 B13R1.26 CCCO[C@@H](CC)c1ccccc1 d141b7596330092af1578ccdeb86f1c9 [0,1,1,0,0,0|1,0,0]=3 714 B13R1.26 CCCO[C@H](CC)c1ccccc1 2d89d74041ebd27623bd5bbb107e0a8b [0,1,1,0,0,0|1,0,0]=3 715 B13R1.26 CCCO[C@H](CF)c1ccccc1 95b4751da110bf096d4694ac905ea12a [0,1,1,0,0,0|2,0,0]=4 716 B13R1.26 CCOCC(C#N)c1ccccc1 b8d6824b68de6c7bd4674c9dd20b24bc [0,1,1,0,0,0|2,0,0]=4 717 B13R1.26 CCOCC(CC)c1ccccc1 bbe4e3553f9e2e9733717aa13f476854 [0,1,1,0,0,0|1,0,0]=3 718 B13R1.26 CCOCC(CC)c1ccccn1 5466e9a0490487ca7280fc5da4a3dcd8 [0,1,1,0,0,0|2,0,0]=4 719 B13R1.26 CCOCC(OC)c1ccccc1 c58305f87ed21f5c0d8dc203586fba37 [0,1,1,0,0,0|0,0,0]=2 720 B13R1.26 CCOC[C@H](OC)c1ccccc1 990c6077184864a7e47e982f06ad42df [0,1,1,0,0,0|0,0,0]=2 721 B13R1.26 CC[C@@H](NCCF)c1ccccc1 e7abb0db27777e6c9d89ffa71ffc8212 [0,1,1,0,0,0|2,0,0]=4 722 B13R1.26 CC[C@@H](NCCO)c1ccccc1 b308386d8bed8dbbab22b47a4331c4c2 [0,1,1,0,0,0|2,0,0]=4 723 B13R1.26 CC[C@@H](NCCS)c1ccccc1 efbcd1e5b3838ae21016feee83c59b4c [0,1,1,0,0,0|2,0,0]=4 724 B13R1.26 CC[C@@H](NCOC)c1ccccc1 918444429aba744416aef0f4b29c200d [0,1,1,0,0,0|2,0,0]=4 725 B13R1.26 CC[C@@H](NCSC)c1ccccc1 97c862d4eda53bbf7299ab22a46a9749 [0,1,1,0,0,0|2,0,0]=4 726 B13R1.26 CC[C@@H](OCC#N)c1ccccc1 f155cafcc94ad4739658b5579e227d33 [0,1,1,0,0,0|1,0,1]=4 727 B13R1.26 CC[C@@H](OCC=O)c1ccccc1 ff4d6fdd39d62cd4dd5fbc1780fcd463 [0,1,1,0,0,0|1,0,1]=4 728 B13R1.26 CC[C@@H](OCCF)c1ccccc1 72c3f45d58b4d36ff1ba570cf30b2c42 [0,1,1,0,0,0|1,0,0]=3 729 B13R1.26 CC[C@@H](OCCS)c1ccccc1 a6b9ad7d342b6e8f61dca8e38762359f [0,1,1,0,0,0|1,0,0]=3 730 B13R1.26 CC[C@@H](OCOC)c1ccccc1 4b633f127bf76346ce097d6ac89ac8fd [0,1,1,0,0,0|1,0,0]=3 731 B13R1.26 CC[C@@H](OCSC)c1ccccc1 8b80790882f9347d156804e1595be36e [0,1,1,0,0,0|1,0,0]=3 732 B13R1.26 CC[C@H](NCCF)c1ccccc1 02383b94df948647add879050375728c [0,1,1,0,0,0|2,0,0]=4 733 B13R1.26 CC[C@H](NCCO)c1ccccc1 bd38bbf59fb08005243376b12639a639 [0,1,1,0,0,0|2,0,0]=4 734 B13R1.26 CC[C@H](NCCS)c1ccccc1 006b8e7ea5bb1bc1c66fd9e1f7b16f22 [0,1,1,0,0,0|2,0,0]=4 735 B13R1.26 CC[C@H](NCOC)c1ccccc1 872d56e21abb248779575e61d0dc78b2 [0,1,1,0,0,0|2,0,0]=4 736 B13R1.26 CC[C@H](NCSC)c1ccccc1 4e4afdd2b51b96a25cc6ac26c27e6843 [0,1,1,0,0,0|2,0,0]=4 737 B13R1.26 CC[C@H](OCC#N)c1ccccc1 4c48e2ae28519fb46eb29d130b4ef908 [0,1,1,0,0,0|1,0,1]=4 738 B13R1.26 CC[C@H](OCC=O)c1ccccc1 151015fabcf1f0f05e31ab274278f1ef [0,1,1,0,0,0|1,0,1]=4 739 B13R1.26 CC[C@H](OCCF)c1ccccc1 da6d683a0fb694a10f2c98bb47edfc99 [0,1,1,0,0,0|1,0,0]=3 740 B13R1.26 CC[C@H](OCCS)c1ccccc1 10b38911a5a30799f51b85b1590e8fc7 [0,1,1,0,0,0|1,0,0]=3 741 B13R1.26 CC[C@H](OCOC)c1ccccc1 2766737079469ae997e70530807e8d85 [0,1,1,0,0,0|1,0,0]=3 742 B13R1.26 CC[C@H](OCSC)c1ccccc1 668ed291c9eafa17e55c61ff024199aa [0,1,1,0,0,0|1,0,0]=3 743 B13R1.26 COC(COCF)c1ccccc1 4c5c2a8d5e9e508297addc9aa9ba622b [0,1,1,0,0,0|1,0,0]=3 744 B13R1.26 COCOC(C#N)c1ccccc1 5077b6c0191f5b3c74475ac127ee21d4 [0,1,1,0,0,0|2,0,0]=4 745 B13R1.26 COCOC(CF)c1ccccc1 8801fb34d98757ebd3c36999d840490e [0,1,1,0,0,0|2,0,0]=4 746 B13R1.26 COCO[C@@H](C#N)c1ccccc1 6fa3f704e532d0f967ed263cff32ebc7 [0,1,1,0,0,0|2,0,0]=4 747 B13R1.26 COCO[C@H](CF)c1ccccc1 17d411770c823149db6cb6c615a4e300 [0,1,1,0,0,0|2,0,0]=4 748 B13R1.26 CO[C@@H](COCF)c1ccccc1 37676f4079ef7f9e9b2a2a18f5ca4f03 [0,1,1,0,0,0|1,0,0]=3 749 B13R1.26 CSCOC(C#N)c1ccccc1 788ab91820fcfedcb9d5917bdfb1262c [0,1,1,0,0,0|2,0,0]=4 750 B13R1.26 CSCOC(CF)c1ccccc1 f5e82a8e77bf56f3695c2bf7f773717f [0,1,1,0,0,0|2,0,0]=4 751 B13R1.26 CSCO[C@@H](C#N)c1ccccc1 869b9ee93de92babab896c00200d5c21 [0,1,1,0,0,0|2,0,0]=4 752 B13R1.26 CSCO[C@H](CF)c1ccccc1 497fafbd85c31d2f9db702e24b309f85 [0,1,1,0,0,0|2,0,0]=4 753 B13R1.26 FCC(OCCS)c1ccccc1 f14128ab74a731ffe2db33f9a17766b0 [0,1,1,0,0,0|2,0,0]=4 754 B13R1.26 FCCOC(CF)c1ccccc1 df9286c85f4065f9a35afcbbea9feeae [0,1,1,0,0,0|2,0,0]=4 755 B13R1.26 FCCO[C@H](CF)c1ccccc1 9957d8d4e96c7f4027257ae5a09c0d92 [0,1,1,0,0,0|2,0,0]=4 756 B13R1.26 FC[C@@H](OCCS)c1ccccc1 4da4cfa247a5fc6e4fcd193056ba2da9 [0,1,1,0,0,0|2,0,0]=4 757 B13R1.26 N#CC(OCCF)c1ccccc1 27240763403a4cdcf3ce004025920d50 [0,1,1,0,0,0|2,0,0]=4 758 B13R1.26 N#CC(OCCS)c1ccccc1 9012617e72972f85a0feb6d172b35e61 [0,1,1,0,0,0|2,0,0]=4 759 B13R1.26 N#C[C@H](OCCF)c1ccccc1 ecb37fae9f9d8f2e98455a3abfb5ff5e [0,1,1,0,0,0|2,0,0]=4 760 B13R1.26 N#C[C@H](OCCS)c1ccccc1 a3ae3faaca5937c5663a8af5ec417a56 [0,1,1,0,0,0|2,0,0]=4 761 B13R1.26 SCCOC(CS)c1ccccc1 477237e5b5d9e36f346c4c759b492e11 [0,1,1,0,0,0|2,0,0]=4 762 B13R1.173 C#CC(OCC)c1ccccc1Cl cae5214e1bb8a240913eeb84bfdf2934 [0,1,1,0,0,0|1,0,1]=4 763 B13R1.173 C#CC(OCC)c1ccccc1F 61a100a713ab76dd0f91c2fcbb9114af [0,1,1,0,0,0|1,0,1]=4 764 B13R1.173 C=CC(OCC)c1ccccc1C 6de4d5603794207235fdb90a8ba16daa [0,1,1,0,0,0|1,0,1]=4 765 B13R1.173 C=CC(OCC)c1ccccc1Cl 4fc46676b348d4226aca410c3302e1e9 [0,1,1,0,0,0|1,0,1]=4 766 B13R1.173 C=CC(OCC)c1ccccc1F 169091a16477bd04c5c3c3f45fb528e5 [0,1,1,0,0,0|1,0,1]=4 767 B13R1.173 CCC(OCF)c1ccccc1Cl 925314a4c04d11a7de8091b831c78656 [0,1,1,0,0,0|2,0,0]=4 768 B13R1.173 CCC(OCF)c1ccccc1F 406d1135e134588c7cc869b8ebc783f4 [0,1,1,0,0,0|2,0,0]=4 769 B13R1.173 CCC(OCF)c1ccccc1I f0432e878dcd9e7e3430c90c58de933b [0,1,1,0,0,0|2,0,0]=4 770 B13R1.173 CCNC(CC)c1ccccc1C fe8f928b003693ea42fb78e520639b15 [0,1,1,0,0,0|2,0,0]=4 771 B13R1.173 CCNC(CC)c1ccccc1Cl cf83a3e41812855299f7c11a4003cbe0 [0,1,1,0,0,0|2,0,0]=4 772 B13R1.173 CCNC(CC)c1ccccc1F f779411eb66dc6fe5b8395e3d3f7a414 [0,1,1,0,0,0|2,0,0]=4 773 B13R1.173 CCN[C@@H](CC)c1ccccc1F 684a298359f7411683c90066ff61c183 [0,1,1,0,0,0|2,0,0]=4 774 B13R1.173 CCOC(CC)c1ccccc1Cl cd63563c2e2d93fcb90d57a538660584 [0,1,1,0,0,0|1,0,0]=3 775 B13R1.173 CCOC(CC)c1ccccc1F 37595bcbf81ada6cd3816c35771011a9 [0,1,1,0,0,0|1,0,0]=3 776 B13R1.173 CCOC(CC)c1ccccc1I c0664ffbdd3ad8a77ae8af77f8a3ad7c [0,1,1,0,0,0|1,0,0]=3 777 B13R1.173 CCOC(CC)c1ccncc1Cl ad3a444f84f44f91e5d5a9e57c7d2f9c [0,1,1,0,0,0|2,0,0]=4 778 B13R1.173 CCOC(CC)c1ccncc1F d30dee34477967364b1bbf277d0b8846 [0,1,1,0,0,0|2,0,0]=4 779 B13R1.398 C#CCC(OCC)c1ccccc1 1dae7551cf566ec05aa7ad0fae0d6bc4 [0,1,1,0,0,0|1,0,1]=4 780 B13R1.398 C=CCC(OCC)c1ccccc1 a4657ed7da3cce6d02fc90b54c66bb6b [0,1,1,0,0,0|1,0,1]=4 781 B13R1.398 CCCC(NCC)c1ccccc1 efc1934e8ac0e9eaf0d234978f9d0c0c [0,1,1,0,0,0|2,0,0]=4 782 B13R1.398 CCCC(NCF)c1ccccc1 f92f626e8295b5e311b8cb02d2079228 [0,1,1,0,0,0|2,0,0]=4 783 B13R1.398 CCCC(NCO)c1ccccc1 41f9fe7dd83c9ad5337ca4e5f7cd941b [0,1,1,0,0,0|2,0,0]=4 784 B13R1.398 CCCC(OCC)c1ccccc1 1cc1a4cc3f334b214c9cb547ca17caa9 [0,1,1,0,0,0|1,0,0]=3 785 B13R1.398 CCCC(OCF)c1ccccc1 7630e368d3b7be22c06f8db98f3a3854 [0,1,1,0,0,0|1,0,0]=3 786 B13R1.398 CCCN(COC)c1ccccc1 735668ff67e4473dd73867339f0275b0 [0,1,1,0,0,0|2,0,0]=4 787 B13R1.398 CCC[C@@H](NCC)c1ccccc1 d3993ac1fe7d1000481f66e09a619792 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.398 CCC[C@@H](NCF)c1ccccc1 3e531e0345907b81bbc914c2562b18e3 [0,1,1,0,0,0|2,0,0]=4 789 B13R1.398 CCC[C@@H](NCO)c1ccccc1 f0244fea9b9d4cbb8c3e2b745ab91f6c [0,1,1,0,0,0|2,0,0]=4 790 B13R1.398 CCC[C@@H](OCC)c1ccccc1 38fac7afa3522c365d281f27829e3da9 [0,1,1,0,0,0|1,0,0]=3 791 B13R1.398 CCC[C@@H](OCF)c1ccccc1 b600c1c84e7df60b30991a558f914901 [0,1,1,0,0,0|1,0,0]=3 792 B13R1.398 CCC[C@H](NCC)c1ccccc1 14f7e6a73494f1a6eea5a519e3fe28e7 [0,1,1,0,0,0|2,0,0]=4 793 B13R1.398 CCC[C@H](NCF)c1ccccc1 4f613701a2917983892fa99d666b7cba [0,1,1,0,0,0|2,0,0]=4 794 B13R1.398 CCC[C@H](NCO)c1ccccc1 7ffa5fe71e790a995fb3fb0ee954c3b9 [0,1,1,0,0,0|2,0,0]=4 795 B13R1.398 CCC[C@H](OCC)c1ccccc1 c3efcc6ce5a488ec88cbb48dde6ce64c [0,1,1,0,0,0|1,0,0]=3 796 B13R1.398 CCC[C@H](OCF)c1ccccc1 9dc7ca1fe8419121f5ca50300ab8a74e [0,1,1,0,0,0|1,0,0]=3 797 B13R1.398 CCNC(CCO)c1ccccc1 f825b938a15b874444b8f237da39bad0 [0,1,1,0,0,0|2,0,0]=4 798 B13R1.398 CCNC(COC)c1ccccc1 0b06c193b0a1efc5d6e1f6faf0767fe1 [0,1,1,0,0,0|1,0,0]=3 799 B13R1.398 CCN[C@@H](CCO)c1ccccc1 1ad509dbf441e9b3489226982640c6e0 [0,1,1,0,0,0|2,0,0]=4 800 B13R1.398 CCN[C@@H](COC)c1ccccc1 768dbfe514aab97f88bb6c78f6b0bf87 [0,1,1,0,0,0|1,0,0]=3 801 B13R1.398 CCN[C@H](CCO)c1ccccc1 c225a2b2b9731b3897e8e04f441056ac [0,1,1,0,0,0|2,0,0]=4 802 B13R1.398 CCN[C@H](COC)c1ccccc1 d202722122e916c8e6e7a31aa145020b [0,1,1,0,0,0|1,0,0]=3 803 B13R1.398 CCOC(CC#N)c1ccccc1 2bbb28c9c7213946a1986d74269d5084 [0,1,1,0,0,0|1,0,1]=4 804 B13R1.398 COCC(NCF)c1ccccc1 423979c9c624b5f3b2ae3cde07803a7c [0,1,1,0,0,0|2,0,0]=4 805 B13R1.398 COCC(NCO)c1ccccc1 2bca9b677601cd5fa537edf151753047 [0,1,1,0,0,0|2,0,0]=4 806 B13R1.398 COC[C@@H](NCF)c1ccccc1 7b6d67951a06df484ce865545c838acb [0,1,1,0,0,0|2,0,0]=4 807 B13R1.398 COC[C@@H](NCO)c1ccccc1 21ba03523a718e551ad2b9dd9bdc3c99 [0,1,1,0,0,0|2,0,0]=4 808 B13R1.398 COC[C@H](NCF)c1ccccc1 e862b758a0f9a71496f3bdfc20e3bad4 [0,1,1,0,0,0|2,0,0]=4 809 B13R1.398 COC[C@H](NCO)c1ccccc1 4a1fbce80583268118d1a3bd73f21590 [0,1,1,0,0,0|2,0,0]=4 810 B13R1.402 C#CC(C)(OCC)c1ccccc1 4fed3d5f01f8f46ebaceef8c85389573 [0,1,1,0,0,0|1,0,1]=4 811 B13R1.402 CCC(C)(OCF)c1ccccc1 48334484c6fd3557a5867a2e676a56a0 [0,1,1,0,0,0|2,0,0]=4 812 B13R1.402 CCOC(C)(C=O)c1ccccc1 98bf4a06a3acb9fdae1b015022e8ee05 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.402 CCOC(C)(CC)c1ccccc1 a053c083e6d29ed7f63232525570fa6e [0,1,1,0,0,0|1,0,0]=3 814 B13R1.402 CCO[C@@](C)(CC)c1ccccc1 2ec6efe95004a9dee46e1161f78ac68a [0,1,1,0,0,0|1,0,0]=3 815 B13R1.402 CCO[C@](C)(CC)c1ccccc1 31c9afdcb58f3616f0e363e2edb559d9 [0,1,1,0,0,0|1,0,0]=3 816 B13R1.402 CC[C@@](C)(OCF)c1ccccc1 24763ce907257ad353511bcd4f3b9389 [0,1,1,0,0,0|2,0,0]=4 817 B13R1.402 CC[C@](C)(OCF)c1ccccc1 2451db777b642eb53e2229ac77e913ad [0,1,1,0,0,0|2,0,0]=4 818 B13R1.405 CC(=O)C(OCF)c1ccccc1 c3d3e521c28656480f76530200b274cc [0,1,1,0,0,0|2,0,0]=4 819 B13R1.405 CCNC(c1ccccc1)C(C)C b59bdf62bf1823d4ac621438087875da [0,1,1,0,0,0|2,0,0]=4 820 B13R1.405 CCNC(c1ccccc1)C(C)O 988d7623da86c7523910834be7c2cbf2 [0,1,1,0,0,0|2,0,0]=4 821 B13R1.405 CCN[C@@H](c1ccccc1)C(C)C 16a72345cfec2784acf07e0d35e5e53e [0,1,1,0,0,0|2,0,0]=4 822 B13R1.405 CCN[C@@H](c1ccccc1)[C@@H](C)O f20ca8406b180490a93f6c7162117bab [0,1,1,0,0,0|2,0,0]=4 823 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 181aa7a59d98b9cd3ee9d00dfa22451a [0,1,1,0,0,0|2,0,0]=4 824 B13R1.405 CCN[C@H](c1ccccc1)[C@H](C)O 6991d7a1243e3ded31841a19ec54220a [0,1,1,0,0,0|2,0,0]=4 825 B13R1.405 CCOC(C(=O)C)c1ccccc1 978b8a065cefe3dd4c48c28bab1ef6f1 [0,1,1,0,0,0|1,0,0]=3 826 B13R1.405 CCOC(C(=O)N)c1ccccc1 4cadd269f5009a12d685dab928c6328d [0,1,1,0,0,0|2,0,0]=4 827 B13R1.405 CCOC(C(=O)O)c1ccccc1 bf2a391e548c65a683a0a45a2b3fdcac [0,1,1,0,0,0|2,0,0]=4 828 B13R1.405 CCOC(c1ccccc1)C(F)F 8da5284f5cca73d650f6889df3a1e49a [0,1,1,0,0,0|2,0,0]=4 829 B13R1.405 CCOC(c1cccnc1)C(C)C f86acb3a30e25400750e314358896b16 [0,1,1,0,0,0|2,0,0]=4 830 B13R1.405 CCO[C@@H](C(=O)N)c1ccccc1 93f6fc7d6947450b6bb9e9e3f4e8d071 [0,1,1,0,0,0|2,0,0]=4 831 B13R1.405 CCO[C@@H](C(=O)O)c1ccccc1 26ff87578b2634a5a13bd7cc5cbb3ff5 [0,1,1,0,0,0|2,0,0]=4 832 B13R1.405 CCO[C@H](C(=O)N)c1ccccc1 a51bdf38f41c41f4f543792d8b6211e5 [0,1,1,0,0,0|2,0,0]=4 833 B13R1.405 CCO[C@H](C(=O)O)c1ccccc1 a9cfff70734151ac3e9919424a3b721c [0,1,1,0,0,0|2,0,0]=4 834 B13R1.713 C#CC(OC(C)C)c1ccccc1 65b6523fa03011b37932b4d97b01b814 [0,1,1,0,0,0|1,0,1]=4 835 B13R1.713 C#C[C@@H](OC(C)C)c1ccccc1 65a79cec3b3d9cd654c66d27198ab0ac [0,1,1,0,0,0|1,0,1]=4 836 B13R1.713 C#C[C@H](OC(C)C)c1ccccc1 68ef7b637ee397331239e908c82abbac [0,1,1,0,0,0|1,0,1]=4 837 B13R1.713 C=CC(OC(C)C)c1ccccc1 4857960945659ab57a7f2afd00cc12a0 [0,1,1,0,0,0|1,0,1]=4 838 B13R1.713 CC(C)OC(C=O)c1ccccc1 355a7c4982edcf5a0ba8a1ae1b147522 [0,1,1,0,0,0|2,0,0]=4 839 B13R1.713 CC(C)OC(CF)c1ccccc1 03ea8247c3bef549e5323aad73c0e9e2 [0,1,1,0,0,0|2,0,0]=4 840 B13R1.713 CC(C)O[C@H](CF)c1ccccc1 43ec51a283e680ab66757e5360eee212 [0,1,1,0,0,0|2,0,0]=4 841 B13R1.713 CCC(NC(C)C)c1ccccc1 678ffab07e2c862b09480e42d5c62f0b [0,1,1,0,0,0|2,0,0]=4 842 B13R1.713 CCC(OC(C)C)c1ccccc1 24bcd37e5706ce8532e06856db5b06fd [0,1,1,0,0,0|1,0,0]=3 843 B13R1.713 CC[C@@H](NC(C)C)c1ccccc1 9588b9e4a1b27c4e5eca895799854d2b [0,1,1,0,0,0|2,0,0]=4 844 B13R1.713 CC[C@@H](OC(C)C)c1ccccc1 9f269c7a31a314929ac7b227fcb61d60 [0,1,1,0,0,0|1,0,0]=3 845 B13R1.713 CC[C@H](NC(C)C)c1ccccc1 99c4bf6e064840cc67e52a3c4d7765f0 [0,1,1,0,0,0|2,0,0]=4 846 B13R1.713 CC[C@H](OC(C)C)c1ccccc1 aec7232310e4a007d528dd1069053632 [0,1,1,0,0,0|1,0,0]=3 847 B13R1.11 C=CC(C)OC(C)c1ccccc1 9d09fffdc7be60a3eed359b27fd06691 [0,1,1,0,0,0|1,0,1]=4 848 B13R1.11 C=CC(C)O[C@@H](C)c1ccccc1 770d524bb667e83af0e777342d670dd2 [0,1,1,0,0,0|1,0,1]=4 849 B13R1.11 C=CC(C)O[C@H](C)c1ccccc1 85b523aa995164e812a7faf46bfb2608 [0,1,1,0,0,0|1,0,1]=4 850 B13R1.11 C=C[C@H](C)OC(C)c1ccccc1 d1dfd21d34cd444f03ec2544048e6598 [0,1,1,0,0,0|1,0,1]=4 851 B13R1.11 C=C[C@H](C)O[C@@H](C)c1ccccc1 a6e21f6785118372d6940fd4b3de0051 [0,1,1,0,0,0|1,0,1]=4 852 B13R1.11 C=C[C@H](C)O[C@H](C)c1ccccc1 0111f133b0d2f2ef298ab2e8a4683610 [0,1,1,0,0,0|1,0,1]=4 853 B13R1.11 CC(C=O)OC(C)c1ccccc1 4ad6644811710976fe44034865844cbb [0,1,1,0,0,0|0,0,2]=4 854 B13R1.11 CC(C=O)O[C@@H](C)c1ccccc1 e3ce2120fac756109349f29e31d3a16e [0,1,1,0,0,0|0,0,2]=4 855 B13R1.11 CC(C=O)O[C@H](C)c1ccccc1 4645553cdb320af33733ef4859fccc0c [0,1,1,0,0,0|0,0,2]=4 856 B13R1.11 CC(CO)CN(C)c1ccccc1 d6b3c8ad65a7f6d9538fbfaa12babefb [0,1,1,0,0,0|2,0,0]=4 857 B13R1.11 CC(CO)NC(=O)c1ccccc1 df750009c3e55e45b197efd3b545a3b5 [0,1,1,0,0,0|1,0,1]=4 858 B13R1.11 CC(CO)NC(C)c1ccccn1 963dc843d15e04a92fc3a281eb2e1d43 [0,1,1,0,0,0|2,0,0]=4 859 B13R1.11 CC(CO)NC(C)c1cccnc1 07e36bc383c33704ee35cb9e78ce2ca7 [0,1,1,0,0,0|2,0,0]=4 860 B13R1.11 CC(CO)NC(C)c1ccncc1 30db6daf73365ba43c8728b422d5d169 [0,1,1,0,0,0|2,0,0]=4 861 B13R1.11 CC(CO)N[C@@H](C)c1ccccn1 4a229c34f1fd9706da678c0242250e33 [0,1,1,0,0,0|2,0,0]=4 862 B13R1.11 CC(CO)N[C@@H](C)c1cccnc1 b797cb10faab05917b1d5e89a8661cc5 [0,1,1,0,0,0|2,0,0]=4 863 B13R1.11 CC(CO)N[C@@H](C)c1ccncc1 e5e7b65b604de90f57580f5ad8d14df0 [0,1,1,0,0,0|2,0,0]=4 864 B13R1.11 CC(CO)N[C@H](C)c1ccccn1 045b12f978c170c034379f00d7afaff4 [0,1,1,0,0,0|2,0,0]=4 865 B13R1.11 CC(CO)N[C@H](C)c1cccnc1 a34610b0d5a7d9a77086149465fbced1 [0,1,1,0,0,0|2,0,0]=4 866 B13R1.11 CC(CO)N[C@H](C)c1ccncc1 43f02e9ea7e5bbce568bdd36854682c5 [0,1,1,0,0,0|2,0,0]=4 867 B13R1.11 CC(N[C@@H](C)CO)c1ccccn1 2f60c66e53808ce91292ba7518984f11 [0,1,1,0,0,0|2,0,0]=4 868 B13R1.11 CC(N[C@@H](C)CO)c1cccnc1 2a973a8bb4020f0d7af4c9d254405e0e [0,1,1,0,0,0|2,0,0]=4 869 B13R1.11 CC(N[C@@H](C)CO)c1ccncc1 b1c8652fe11afdd14368edcbcf116620 [0,1,1,0,0,0|2,0,0]=4 870 B13R1.11 CC(N[C@H](C)CO)c1ccccn1 22965acc8e9aa67970c3b1f0783bf5f7 [0,1,1,0,0,0|2,0,0]=4 871 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 a465aa4987a72fdfa71b4af0ebee3149 [0,1,1,0,0,0|2,0,0]=4 872 B13R1.11 CC(N[C@H](C)CO)c1ccncc1 8e2041647cf7d8ca7af334e29b23eb07 [0,1,1,0,0,0|2,0,0]=4 873 B13R1.11 CC(O[C@H](C)C=O)c1ccccc1 9fc6f9445a6c570fdf8eddfdf1aad36b [0,1,1,0,0,0|0,0,2]=4 874 B13R1.11 CCC(C)OC(C)c1ccccc1 23996e8320585cc0f93c0989f3fb53ed [0,1,1,0,0,0|1,0,0]=3 875 B13R1.11 CCC(C)OC(C)c1ccccn1 950cafcb86fdf11b17caa04898a7b20f [0,1,1,0,0,0|2,0,0]=4 876 B13R1.11 CCC(C)OC(C)c1cccnc1 d287b281bda0acbe8d6a36bc6bb3d0f9 [0,1,1,0,0,0|2,0,0]=4 877 B13R1.11 CCC(C)OC(C)c1ccncc1 50cae2d2cbd4b18983e183d682c33517 [0,1,1,0,0,0|2,0,0]=4 878 B13R1.11 CCC(C)O[C@@H](C)c1ccccc1 a545d3c69554c273a1806cb61b834219 [0,1,1,0,0,0|1,0,0]=3 879 B13R1.11 CCC(C)O[C@@H](C)c1ccccn1 131ce7b73a877c68147476eef823886d [0,1,1,0,0,0|2,0,0]=4 880 B13R1.11 CCC(C)O[C@@H](C)c1cccnc1 c48537db31809afaa539d575804e279a [0,1,1,0,0,0|2,0,0]=4 881 B13R1.11 CCC(C)O[C@@H](C)c1ccncc1 453f86d2da5720b97ecc89ee7381ca36 [0,1,1,0,0,0|2,0,0]=4 882 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 f0a1bee70840c95fe08a6ed0b3477055 [0,1,1,0,0,0|1,0,0]=3 883 B13R1.11 CCC(C)O[C@H](C)c1ccccn1 7a3c864382f535b22e728ce5200ecee2 [0,1,1,0,0,0|2,0,0]=4 884 B13R1.11 CCC(C)O[C@H](C)c1cccnc1 c7d70fe40218da242020d10ce6bac8bf [0,1,1,0,0,0|2,0,0]=4 885 B13R1.11 CCC(C)O[C@H](C)c1ccncc1 f8b07197a88a8dc14f26e07bacdef2b5 [0,1,1,0,0,0|2,0,0]=4 886 B13R1.11 CN(CO)CC(O)c1ccccc1 55c7d0f76d5ec974a482765492db178d [0,1,1,0,0,0|2,0,0]=4 887 B13R1.11 CN(CO)C[C@H](O)c1ccccc1 c6cc3889b9bff3c54b6be7f32b542a6f [0,1,1,0,0,0|2,0,0]=4 888 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 a6c6aa35a6a366f84b5fbac7aca70dac [0,1,1,0,0,0|2,0,0]=4 889 B13R1.11 C[C@@H](CO)NC(=O)c1ccccc1 5ac46a612d039f4f7153f2869e6a4af6 [0,1,1,0,0,0|1,0,1]=4 890 B13R1.11 C[C@@H](CO)N[C@H](C)c1ccccn1 a43159b8efdee8f9ff586e3897dea16f [0,1,1,0,0,0|2,0,0]=4 891 B13R1.11 C[C@@H](CO)N[C@H](C)c1cccnc1 699c8162538cdf2926693fdba937d61c [0,1,1,0,0,0|2,0,0]=4 892 B13R1.11 C[C@@H](CO)N[C@H](C)c1ccncc1 046e668cf586066e65efe412a65a6bef [0,1,1,0,0,0|2,0,0]=4 893 B13R1.11 C[C@H](C=O)O[C@@H](C)c1ccccc1 645e3b7ed725cbd7b3af2b8c0ab6cd34 [0,1,1,0,0,0|0,0,2]=4 894 B13R1.11 C[C@H](C=O)O[C@H](C)c1ccccc1 a94276114d8264bc4ad2237b77ccada1 [0,1,1,0,0,0|0,0,2]=4 895 B13R1.11 C[C@H](CO)CN(C)c1ccccc1 6db868a9ea66ff781e65efd81dca8223 [0,1,1,0,0,0|2,0,0]=4 896 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 1a37ee807e2700436419a9a18680b478 [0,1,1,0,0,0|1,0,1]=4 897 B13R1.11 C[C@H](CO)N[C@@H](C)c1ccccn1 6048e7941b2c42461e4f523bed1c041b [0,1,1,0,0,0|2,0,0]=4 898 B13R1.11 C[C@H](CO)N[C@@H](C)c1cccnc1 f4d82f4d29ec0b05c03f2f58b67cc138 [0,1,1,0,0,0|2,0,0]=4 899 B13R1.11 C[C@H](CO)N[C@@H](C)c1ccncc1 2e7762e3b3620b654ef340f722cc66cf [0,1,1,0,0,0|2,0,0]=4 900 B13R1.11 C[C@H](CO)N[C@H](C)c1ccccn1 fe7d79aa50d4a4756fb1da39327d0bb2 [0,1,1,0,0,0|2,0,0]=4 901 B13R1.11 C[C@H](CO)N[C@H](C)c1cccnc1 38919da6ac8c06556f3c2fd526b2d692 [0,1,1,0,0,0|2,0,0]=4 902 B13R1.11 C[C@H](CO)N[C@H](C)c1ccncc1 03e6b84a4617c662ecd78c2857b498e8 [0,1,1,0,0,0|2,0,0]=4 903 B13R1.11 C[C@H](N[C@@H](C)CO)c1ccccn1 6333bce3cff1eb923db36e801919bf69 [0,1,1,0,0,0|2,0,0]=4 904 B13R1.11 C[C@H](N[C@@H](C)CO)c1cccnc1 a9f6b4865cd242ef062e137f18bb5e9c [0,1,1,0,0,0|2,0,0]=4 905 B13R1.11 C[C@H](N[C@@H](C)CO)c1ccncc1 02b53af044b56f7d8bd9526f91878b87 [0,1,1,0,0,0|2,0,0]=4 906 B13R1.14 C#CC(C)OCc1ccc(cc1)Br f56e957def788883bfff2b38f4b666b1 [0,1,1,0,0,0|1,0,1]=4 907 B13R1.14 C#CC(C)OCc1ccc(cc1)C 651095b262d782f13860642593d50165 [0,1,1,0,0,0|1,0,1]=4 908 B13R1.14 C#CC(C)OCc1ccc(cc1)Cl 4776609bff7084921f5ef1cf9bd3d51c [0,1,1,0,0,0|1,0,1]=4 909 B13R1.14 C#CC(C)OCc1ccc(cc1)F 5a15f5ac4f0d08c6e748b16ad193eaa0 [0,1,1,0,0,0|1,0,1]=4 910 B13R1.14 C#CC(C)OCc1ccc(cc1)I 78b02a44cccae72b648200110205f752 [0,1,1,0,0,0|1,0,1]=4 911 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 9ff882cd8fbf6a81b632a9371ecea21b [0,1,1,0,0,0|1,0,1]=4 912 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 86b04cb5a269aec28352c0b494705b7e [0,1,1,0,0,0|1,0,1]=4 913 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 686c64c73b4257fbd8fc4cb1eeb061c5 [0,1,1,0,0,0|1,0,1]=4 914 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 68e31392763547d4a7e82c49a3b45831 [0,1,1,0,0,0|1,0,1]=4 915 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 9e1fca2aa9248dc85f12de917668f3e2 [0,1,1,0,0,0|1,0,1]=4 916 B13R1.14 C#C[C@H](C)OCc1ccc(cc1)Br 31585e4946be7e778bd142202232e23a [0,1,1,0,0,0|1,0,1]=4 917 B13R1.14 C#C[C@H](C)OCc1ccc(cc1)C a9fa3d6df50675237dfc366ca9bf7c3e [0,1,1,0,0,0|1,0,1]=4 918 B13R1.14 C#C[C@H](C)OCc1ccc(cc1)Cl b1e64d3e69815faedfbc91575d147e8f [0,1,1,0,0,0|1,0,1]=4 919 B13R1.14 C#C[C@H](C)OCc1ccc(cc1)F f851644f4268f6ddc79336828835e00a [0,1,1,0,0,0|1,0,1]=4 920 B13R1.14 C#C[C@H](C)OCc1ccc(cc1)I cfef44664933a54fc7fd360b2deadb5b [0,1,1,0,0,0|1,0,1]=4 921 B13R1.14 C=CC(C)OCc1ccc(cc1)Br 99afee9d0f5e79b7a49c5e1207095eda [0,1,1,0,0,0|1,0,1]=4 922 B13R1.14 C=CC(C)OCc1ccc(cc1)C 7c347db9c52a3100975ba6de47107f96 [0,1,1,0,0,0|1,0,1]=4 923 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl e4005c355195e66d3e2b8020c4df8f04 [0,1,1,0,0,0|1,0,1]=4 924 B13R1.14 C=CC(C)OCc1ccc(cc1)F 91c5d9fa7eb9e934de5fdbbf8b0b077d [0,1,1,0,0,0|1,0,1]=4 925 B13R1.14 C=CC(C)OCc1ccc(cc1)I c424a235a50fc87f5aafb8ed9c876781 [0,1,1,0,0,0|1,0,1]=4 926 B13R1.14 C=CC(C)OCc1ccc(cc1)S 64667f7a8a0e40b527878982308f62a2 [0,1,1,0,0,0|1,0,1]=4 927 B13R1.14 C=C[C@H](C)OCc1ccc(cc1)Br fdf20b73bc5c505a31a82e4784a1e2df [0,1,1,0,0,0|1,0,1]=4 928 B13R1.14 C=C[C@H](C)OCc1ccc(cc1)C 307e438fe3ad120f34cd123998a8960f [0,1,1,0,0,0|1,0,1]=4 929 B13R1.14 C=C[C@H](C)OCc1ccc(cc1)Cl d64cc47dd0e88e71ad3d091586c331a2 [0,1,1,0,0,0|1,0,1]=4 930 B13R1.14 C=C[C@H](C)OCc1ccc(cc1)F a727ef7815257831129eea5c3c9b7894 [0,1,1,0,0,0|1,0,1]=4 931 B13R1.14 C=C[C@H](C)OCc1ccc(cc1)I 74e785c03b8962e831dcc1a32484d6b6 [0,1,1,0,0,0|1,0,1]=4 932 B13R1.14 CC(C=O)OCc1ccc(cc1)Br 252f64aa424bf641021f3af2745f6f1f [0,1,1,0,0,0|0,0,2]=4 933 B13R1.14 CC(C=O)OCc1ccc(cc1)Cl f960f483edd0f6742930aedbc4eca365 [0,1,1,0,0,0|0,0,2]=4 934 B13R1.14 CC(C=O)OCc1ccc(cc1)F c0158bcf511ff8c9f03c62c5ac7b9642 [0,1,1,0,0,0|0,0,2]=4 935 B13R1.14 CC(C=O)OCc1ccc(cc1)I 4d76065ed30f7792f52d4676af3bdfc5 [0,1,1,0,0,0|0,0,2]=4 936 B13R1.14 CC(C=O)OCc1ccc(cc1)S 6023724333d5b82c0432b5dbcbe0d51b [0,1,1,0,0,0|0,0,2]=4 937 B13R1.14 CC(CF)OCc1ccc(cc1)Br 9e6e9f2e235a263555bf0a8f82d59a37 [0,1,1,0,0,0|1,0,0]=3 938 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 1888ba41d87f3ba9caad9939f06c87a2 [0,1,1,0,0,0|1,0,0]=3 939 B13R1.14 CC(CF)OCc1ccc(cc1)F e198d666252e4b4a750733d316dfdbee [0,1,1,0,0,0|1,0,0]=3 940 B13R1.14 CC(CF)OCc1ccc(cc1)I ed9e01367a648a9f04833ff2398d383e [0,1,1,0,0,0|1,0,0]=3 941 B13R1.14 CC(CF)OCc1ccc(cn1)Cl d36eb4fbffb10e8e2d8976aef175bc86 [0,1,1,0,0,0|2,0,0]=4 942 B13R1.14 CC(CF)OCc1ccc(cn1)F aa79b49ed3787d1a8cf1f612911457ec [0,1,1,0,0,0|2,0,0]=4 943 B13R1.14 CC(CF)OCc1ccc(nc1)Br 1a70f1ceb22c11c27a815a2f47c055fd [0,1,1,0,0,0|2,0,0]=4 944 B13R1.14 CC(CF)OCc1ccc(nc1)Cl 3fcc3ec7a891c6c426ee190bb1027a12 [0,1,1,0,0,0|2,0,0]=4 945 B13R1.14 CC(CF)OCc1ccc(nc1)F 14f57180714e57e282c06e8721b10173 [0,1,1,0,0,0|2,0,0]=4 946 B13R1.14 CC(CO)CNc1ccc(cc1)Br 00cbb7715a211e3d62087d41c8112c84 [0,1,1,0,0,0|2,0,0]=4 947 B13R1.14 CC(CO)CNc1ccc(cc1)Cl 5a07531be19cc42055018a20817c76e6 [0,1,1,0,0,0|2,0,0]=4 948 B13R1.14 CC(CO)CNc1ccc(cc1)F eddb2198b3b5d6f9862a8a82a5bbd398 [0,1,1,0,0,0|2,0,0]=4 949 B13R1.14 CC(CO)CNc1ccc(cc1)I fc15793b1cdc135f845361baedbce501 [0,1,1,0,0,0|2,0,0]=4 950 B13R1.14 CC(CO)CNc1ccc(cc1)S b33dfc8c2ed22b127b7878be05b60505 [0,1,1,0,0,0|2,0,0]=4 951 B13R1.14 CC(CO)NCc1ccc(=O)[nH]c1 3d6de713b858ba0bfcfcb99938886b09 [0,1,1,0,0,0|2,0,0]=4 952 B13R1.14 CC(CO)NCc1ccc(cc1)Br 22e7a86c675df40af5f1fa2c66c28ed9 [0,1,1,0,0,0|1,0,0]=3 953 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 8554d7a246628408df256d51c3574343 [0,1,1,0,0,0|1,0,0]=3 954 B13R1.14 CC(CO)NCc1ccc(cc1)F 213a447b3f732c158e14d4759f40f5fd [0,1,1,0,0,0|1,0,0]=3 955 B13R1.14 CC(CO)NCc1ccc(cc1)I 3522d482e44889a8be2796cf86c9a35e [0,1,1,0,0,0|1,0,0]=3 956 B13R1.14 CC(CO)NCc1ccc(cn1)Br c3a0cb54af1ce5d666850b15126f26de [0,1,1,0,0,0|2,0,0]=4 957 B13R1.14 CC(CO)NCc1ccc(cn1)Cl a1ae107be09f06394a9de651333a7df8 [0,1,1,0,0,0|2,0,0]=4 958 B13R1.14 CC(CO)NCc1ccc(cn1)F f5945c215b04d59800d3714923b6e6c9 [0,1,1,0,0,0|2,0,0]=4 959 B13R1.14 CC(CO)NCc1ccc(nc1)Br f16abcb0540f3b6b02bce941d959de2f [0,1,1,0,0,0|2,0,0]=4 960 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 3996197bb2f9f9007d07070f8d9e0431 [0,1,1,0,0,0|2,0,0]=4 961 B13R1.14 CC(CO)NCc1ccc(nc1)F 0a18ad38574c698a08790672fc61334b [0,1,1,0,0,0|2,0,0]=4 962 B13R1.14 CC(CS)OCc1ccc(cc1)Br 57384fcf215e3bc8d6f4795824b49438 [0,1,1,0,0,0|0,1,0]=3 963 B13R1.14 CC(CS)OCc1ccc(cc1)Cl 2aab5473b376559848576b72e7a19ad9 [0,1,1,0,0,0|0,1,0]=3 964 B13R1.14 CC(CS)OCc1ccc(cc1)F c44c3c06afa7bd9e0007e72ea168ffe5 [0,1,1,0,0,0|0,1,0]=3 965 B13R1.14 CC(CS)OCc1ccc(cc1)I 582a0e694a7f4cba005c5b51dc9bbdab [0,1,1,0,0,0|0,1,0]=3 966 B13R1.14 CC(CS)OCc1ccc(cn1)Cl 3c28582e9d7a5d7c3802159d2e1919f0 [0,1,1,0,0,0|1,1,0]=4 967 B13R1.14 CC(CS)OCc1ccc(cn1)F 562aee75b74fcde7edd90989489a6f1f [0,1,1,0,0,0|1,1,0]=4 968 B13R1.14 CC(CS)OCc1ccc(nc1)Br 5f2a459726bb739496ec6f926b513661 [0,1,1,0,0,0|1,1,0]=4 969 B13R1.14 CC(CS)OCc1ccc(nc1)Cl a6fe6e3698ed74472891d6a062936b71 [0,1,1,0,0,0|1,1,0]=4 970 B13R1.14 CC(CS)OCc1ccc(nc1)F 8bf77c086a077e935c9ae315be935c9e [0,1,1,0,0,0|1,1,0]=4 971 B13R1.14 CCC(C)NCc1ccc(cc1)Br 4abe4f89bdf03f770736d5197e7b883b [0,1,1,0,0,0|2,0,0]=4 972 B13R1.14 CCC(C)NCc1ccc(cc1)C f0a4a7074e963254e8f2dc9718ac8faa [0,1,1,0,0,0|2,0,0]=4 973 B13R1.14 CCC(C)NCc1ccc(cc1)Cl e9926af688e6f6abb788f4783a5448f6 [0,1,1,0,0,0|2,0,0]=4 974 B13R1.14 CCC(C)NCc1ccc(cc1)F b97da88900d1e386f77430e387d7fd51 [0,1,1,0,0,0|2,0,0]=4 975 B13R1.14 CCC(C)NCc1ccc(cc1)I f28ea9682d6730c55e4b6b1783bf60da [0,1,1,0,0,0|2,0,0]=4 976 B13R1.14 CCC(C)OCc1cc[n+](cc1)[O-] 9ce6b7ae58a5e949eb688914ebac99f2 [0,1,1,0,0,0|2,0,0]=4 977 B13R1.14 CCC(C)OCc1ccc(cc1)Br c908b2ace910cbc167d0544d6712f6a4 [0,1,1,0,0,0|1,0,0]=3 978 B13R1.14 CCC(C)OCc1ccc(cc1)C 88e39972550558e6f250df35da5c8f51 [0,1,1,0,0,0|1,0,0]=3 979 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 85bfb26d4e95965551c3bf1f664473b8 [0,1,1,0,0,0|1,0,0]=3 980 B13R1.14 CCC(C)OCc1ccc(cc1)F 6a95bdc8f823980b54e4ce2f3815ca72 [0,1,1,0,0,0|1,0,0]=3 981 B13R1.14 CCC(C)OCc1ccc(cc1)I 71389b9036f82c94c2cbc3112dba3565 [0,1,1,0,0,0|1,0,0]=3 982 B13R1.14 CCC(C)OCc1ccc(cc1)S a07d1c91304f65ef652f1327ecfa1c66 [0,1,1,0,0,0|1,0,0]=3 983 B13R1.14 CCC(C)OCc1ccc(cn1)Br 32c4bfba07b4930a7e2533bb894451e6 [0,1,1,0,0,0|2,0,0]=4 984 B13R1.14 CCC(C)OCc1ccc(cn1)C 2ef8789c49abb25ff734756a71e28358 [0,1,1,0,0,0|2,0,0]=4 985 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 0adbc554ecff8859017202dc7ae6d12d [0,1,1,0,0,0|2,0,0]=4 986 B13R1.14 CCC(C)OCc1ccc(cn1)F 12dbacf3112cdd50215f3e470799adaf [0,1,1,0,0,0|2,0,0]=4 987 B13R1.14 CCC(C)OCc1ccc(cn1)I 2f5def68f7efa4ec9867d0a4725f3b6e [0,1,1,0,0,0|2,0,0]=4 988 B13R1.14 CCC(C)OCc1ccc(nc1)Br 2deb7592f1628fb10bd3f29dda425eb6 [0,1,1,0,0,0|2,0,0]=4 989 B13R1.14 CCC(C)OCc1ccc(nc1)C 8d480636c902bd20b79fbc52cc272fa7 [0,1,1,0,0,0|2,0,0]=4 990 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 68e5cb999adfe5913914525f799ae497 [0,1,1,0,0,0|2,0,0]=4 991 B13R1.14 CCC(C)OCc1ccc(nc1)F 2d049a525b6209999dd88f74a8f16d2c [0,1,1,0,0,0|2,0,0]=4 992 B13R1.14 CC[C@@H](C)NCc1ccc(cc1)Br 3ff9d82fa26b0079fa42216a0a66fced [0,1,1,0,0,0|2,0,0]=4 993 B13R1.14 CC[C@@H](C)NCc1ccc(cc1)C 8e49a5ade28c8be4117262a4417c0700 [0,1,1,0,0,0|2,0,0]=4 994 B13R1.14 CC[C@@H](C)NCc1ccc(cc1)Cl dcd7b6bbbb2603492684d3d9edec7111 [0,1,1,0,0,0|2,0,0]=4 995 B13R1.14 CC[C@@H](C)NCc1ccc(cc1)F 03e5451e4ef53bd886bd13e2f0fc01f7 [0,1,1,0,0,0|2,0,0]=4 996 B13R1.14 CC[C@@H](C)NCc1ccc(cc1)I 7ebfc5866429d5e49443c4162a968451 [0,1,1,0,0,0|2,0,0]=4 997 B13R1.14 CC[C@@H](C)OCc1ccc(cc1)Br ab082d26ffcbc0d94f829c18539aea4f [0,1,1,0,0,0|1,0,0]=3 998 B13R1.14 CC[C@@H](C)OCc1ccc(cc1)C f554301de3a543cfe2e7ec6eb67b3fd5 [0,1,1,0,0,0|1,0,0]=3 999 B13R1.14 CC[C@@H](C)OCc1ccc(cc1)Cl 5ad21ff7f014fb224ebed22096a8f243 [0,1,1,0,0,0|1,0,0]=3 1000 B13R1.14 CC[C@@H](C)OCc1ccc(cc1)F bda97487875bbb387e31383a434770a2 [0,1,1,0,0,0|1,0,0]=3 1001 B13R1.14 CC[C@@H](C)OCc1ccc(cc1)I 178305fd0c396a47fed0c143f98a8164 [0,1,1,0,0,0|1,0,0]=3 1002 B13R1.14 CC[C@@H](C)OCc1ccc(cn1)Cl 9cd43f6395caf9c8982d1ee48f48f8a6 [0,1,1,0,0,0|2,0,0]=4 1003 B13R1.14 CC[C@@H](C)OCc1ccc(cn1)F e9cd49c20027fae83f1ca2fc288c78c5 [0,1,1,0,0,0|2,0,0]=4 1004 B13R1.14 CC[C@@H](C)OCc1ccc(nc1)Br dadb35a855ac06113731e4f0fd445191 [0,1,1,0,0,0|2,0,0]=4 1005 B13R1.14 CC[C@@H](C)OCc1ccc(nc1)C 9ef6f391cefd6a7ee144b4cac3eadb77 [0,1,1,0,0,0|2,0,0]=4 1006 B13R1.14 CC[C@@H](C)OCc1ccc(nc1)Cl cc9392ac12546dd3d00025d849307099 [0,1,1,0,0,0|2,0,0]=4 1007 B13R1.14 CC[C@@H](C)OCc1ccc(nc1)F 3e44bb38897ef9920d35c126f9637d38 [0,1,1,0,0,0|2,0,0]=4 1008 B13R1.14 CC[C@H](C)NCc1ccc(cc1)Br 50b1405d61a19588fc9b582c8506e370 [0,1,1,0,0,0|2,0,0]=4 1009 B13R1.14 CC[C@H](C)NCc1ccc(cc1)C b94b58879f72267d9f64001a24bc8656 [0,1,1,0,0,0|2,0,0]=4 1010 B13R1.14 CC[C@H](C)NCc1ccc(cc1)Cl 0ec668095e308a1b1293ad2b3d5d1b84 [0,1,1,0,0,0|2,0,0]=4 1011 B13R1.14 CC[C@H](C)NCc1ccc(cc1)F bba516c1679996d829bb5436a0ea164a [0,1,1,0,0,0|2,0,0]=4 1012 B13R1.14 CC[C@H](C)NCc1ccc(cc1)I b059fc9371ce4b03fde0e74bf63e1514 [0,1,1,0,0,0|2,0,0]=4 1013 B13R1.14 CC[C@H](C)OCc1ccc(cc1)Br e3db62d82d2b63ca8996a3ac79623212 [0,1,1,0,0,0|1,0,0]=3 1014 B13R1.14 CC[C@H](C)OCc1ccc(cc1)C 22bf190577eaa70a4e1ff49663bc4dcd [0,1,1,0,0,0|1,0,0]=3 1015 B13R1.14 CC[C@H](C)OCc1ccc(cc1)Cl 0b82856428cf3abdc9cf68a7d27ea7d1 [0,1,1,0,0,0|1,0,0]=3 1016 B13R1.14 CC[C@H](C)OCc1ccc(cc1)F 9f5f2379e2a552690a12850e384f264f [0,1,1,0,0,0|1,0,0]=3 1017 B13R1.14 CC[C@H](C)OCc1ccc(cc1)I ee6cd1ad70de386f0e5517af59e2473c [0,1,1,0,0,0|1,0,0]=3 1018 B13R1.14 CC[C@H](C)OCc1ccc(cn1)Cl 9fa4d790654e07097707a7f3ae457d75 [0,1,1,0,0,0|2,0,0]=4 1019 B13R1.14 CC[C@H](C)OCc1ccc(cn1)F 5b440f60c96e2d7f4e2c7feff9bd518e [0,1,1,0,0,0|2,0,0]=4 1020 B13R1.14 CC[C@H](C)OCc1ccc(nc1)Br 267e37e73812c3193a4d1ce5fb747c86 [0,1,1,0,0,0|2,0,0]=4 1021 B13R1.14 CC[C@H](C)OCc1ccc(nc1)C ab7abf44ec2b3928bd782dcd941152e0 [0,1,1,0,0,0|2,0,0]=4 1022 B13R1.14 CC[C@H](C)OCc1ccc(nc1)Cl 3f8207d72c7e2197b0f2a4b747e7637e [0,1,1,0,0,0|2,0,0]=4 1023 B13R1.14 CC[C@H](C)OCc1ccc(nc1)F 98abd7baa2044235197ff1ef4fae11d2 [0,1,1,0,0,0|2,0,0]=4 1024 B13R1.14 CN(CO)CCc1ccc(cc1)Br 8174e2fc55bb2c62774ee017d4ce1607 [0,1,1,0,0,0|2,0,0]=4 1025 B13R1.14 CN(CO)CCc1ccc(cc1)Cl e028bc39ff749bd0e1796ad056556166 [0,1,1,0,0,0|2,0,0]=4 1026 B13R1.14 CN(CO)CCc1ccc(cc1)F 4ba29b9781e113bd49733e47e1b39959 [0,1,1,0,0,0|2,0,0]=4 1027 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br c34ae4bb2b245fc722b55d01b9e6d9b8 [0,1,1,0,0,0|2,0,0]=4 1028 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 210afbb7fd1c7055c515d38ccc4da702 [0,1,1,0,0,0|2,0,0]=4 1029 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 88d344053ef36fa673d01c8043ab3ea5 [0,1,1,0,0,0|2,0,0]=4 1030 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 74e5821659af30522f3220a11f19cb55 [0,1,1,0,0,0|2,0,0]=4 1031 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)S 30071a6d702f2b364e5fc8da387f7643 [0,1,1,0,0,0|2,0,0]=4 1032 B13R1.14 C[C@@H](CO)NCc1ccc(=O)[nH]c1 a3521d30018a2c6ae0b7e26f484ffdd5 [0,1,1,0,0,0|2,0,0]=4 1033 B13R1.14 C[C@@H](CO)NCc1ccc(cc1)Br 3e0b9f35fdd704a9b032b9e102b01c89 [0,1,1,0,0,0|1,0,0]=3 1034 B13R1.14 C[C@@H](CO)NCc1ccc(cc1)Cl 335d3a0dbd1e5616146e309fd4dfee98 [0,1,1,0,0,0|1,0,0]=3 1035 B13R1.14 C[C@@H](CO)NCc1ccc(cc1)F 7963189d6c5ffc628cb8eac2c8910326 [0,1,1,0,0,0|1,0,0]=3 1036 B13R1.14 C[C@@H](CO)NCc1ccc(cc1)I 6fd12003fb0b689c44b92190e2cdae2c [0,1,1,0,0,0|1,0,0]=3 1037 B13R1.14 C[C@@H](CO)NCc1ccc(cn1)Br 61bf0258b428b86dfab501219b225e1a [0,1,1,0,0,0|2,0,0]=4 1038 B13R1.14 C[C@@H](CO)NCc1ccc(cn1)Cl 596e4c1f27f1c5ef351d1cb300719468 [0,1,1,0,0,0|2,0,0]=4 1039 B13R1.14 C[C@@H](CO)NCc1ccc(cn1)F 8840506755dd0af60fccb6ae8d134123 [0,1,1,0,0,0|2,0,0]=4 1040 B13R1.14 C[C@@H](CO)NCc1ccc(nc1)Br 810bd36336c9f29f56bb1e720038e0e5 [0,1,1,0,0,0|2,0,0]=4 1041 B13R1.14 C[C@@H](CO)NCc1ccc(nc1)Cl 09a76a6dbef83f7651dfdcdd287a65af [0,1,1,0,0,0|2,0,0]=4 1042 B13R1.14 C[C@@H](CO)NCc1ccc(nc1)F 24625fab627308be1880a72ac1bf4ee6 [0,1,1,0,0,0|2,0,0]=4 1043 B13R1.14 C[C@H](C=O)OCc1ccc(cc1)Br 6c89068d4ac6e505d52508169448f2df [0,1,1,0,0,0|0,0,2]=4 1044 B13R1.14 C[C@H](C=O)OCc1ccc(cc1)Cl 9e90d59466675b4b4885e048fa7a3065 [0,1,1,0,0,0|0,0,2]=4 1045 B13R1.14 C[C@H](C=O)OCc1ccc(cc1)F cec90b5835e53155e2006f86a2b4120a [0,1,1,0,0,0|0,0,2]=4 1046 B13R1.14 C[C@H](C=O)OCc1ccc(cc1)I 597bacd7017006fa6cea6cca73d4da46 [0,1,1,0,0,0|0,0,2]=4 1047 B13R1.14 C[C@H](C=O)OCc1ccc(cc1)S 2513f70af43b6a810e13935c20688eb0 [0,1,1,0,0,0|0,0,2]=4 1048 B13R1.14 C[C@H](CO)CNc1ccc(cc1)Br ecd3d8c22fe07b6983d1f321ff733425 [0,1,1,0,0,0|2,0,0]=4 1049 B13R1.14 C[C@H](CO)CNc1ccc(cc1)Cl acdc4837c581d59960f01e32cd180d9c [0,1,1,0,0,0|2,0,0]=4 1050 B13R1.14 C[C@H](CO)CNc1ccc(cc1)F 9837efa8777fd1043ad113d97e0f40c4 [0,1,1,0,0,0|2,0,0]=4 1051 B13R1.14 C[C@H](CO)CNc1ccc(cc1)I 69038b94843b696e4fab9e1c77a62ef0 [0,1,1,0,0,0|2,0,0]=4 1052 B13R1.14 C[C@H](CO)CNc1ccc(cc1)S 9aeb2960d509592ea8dbaf37791da6e4 [0,1,1,0,0,0|2,0,0]=4 1053 B13R1.14 C[C@H](CO)NCc1ccc(=O)[nH]c1 f4edaf982d06cdd7039d101c836fe5af [0,1,1,0,0,0|2,0,0]=4 1054 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br b5e33c924b255b6e0c6b1808063ca504 [0,1,1,0,0,0|1,0,0]=3 1055 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2dca4bd07f386ac1dec299bafce116de [0,1,1,0,0,0|1,0,0]=3 1056 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F e4c820fa915ccc01628f8a5fcbc44e33 [0,1,1,0,0,0|1,0,0]=3 1057 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I e52c4b0661ce08e54f9378a19e794876 [0,1,1,0,0,0|1,0,0]=3 1058 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 8a7a0c4fd05196bcb017715b649b30e7 [0,1,1,0,0,0|2,0,0]=4 1059 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl aee5fa3087a068720873a433734f70fd [0,1,1,0,0,0|2,0,0]=4 1060 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 7e6cb46552be924b65134904c29f59f3 [0,1,1,0,0,0|2,0,0]=4 1061 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Br 20236cb796cc22f4166a9a7b10b5fdec [0,1,1,0,0,0|2,0,0]=4 1062 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Cl f6a4753f1d00984133dcae9b276a5992 [0,1,1,0,0,0|2,0,0]=4 1063 B13R1.14 C[C@H](CO)NCc1ccc(nc1)F 16b6a0c62891780545ffeb33a16d9645 [0,1,1,0,0,0|2,0,0]=4 1064 B13R1.14 C[C@H](CS)OCc1ccc(cc1)Br 4339f88019ea6c086b3b81ee0ff447b5 [0,1,1,0,0,0|0,1,0]=3 1065 B13R1.14 C[C@H](CS)OCc1ccc(cc1)Cl d495b04650e35dbdb507dfe3e0c61632 [0,1,1,0,0,0|0,1,0]=3 1066 B13R1.14 C[C@H](CS)OCc1ccc(cc1)F 6378831a1cac5037c43b879477bf39fb [0,1,1,0,0,0|0,1,0]=3 1067 B13R1.14 C[C@H](CS)OCc1ccc(cc1)I f05dfbee4cbd0c4780fd46429fbb9a3b [0,1,1,0,0,0|0,1,0]=3 1068 B13R1.14 C[C@H](CS)OCc1ccc(cn1)Cl ca85a01dee4cf5a5624ea7c574001e06 [0,1,1,0,0,0|1,1,0]=4 1069 B13R1.14 C[C@H](CS)OCc1ccc(cn1)F afd00b49ae0cf1e30fd89643706fafe6 [0,1,1,0,0,0|1,1,0]=4 1070 B13R1.14 C[C@H](CS)OCc1ccc(nc1)Br b25d518c440da2f82d7cbf9cfe2b996f [0,1,1,0,0,0|1,1,0]=4 1071 B13R1.14 C[C@H](CS)OCc1ccc(nc1)Cl 9715e5217b4ce0438c92b12c7e0009bc [0,1,1,0,0,0|1,1,0]=4 1072 B13R1.14 C[C@H](CS)OCc1ccc(nc1)F 19e6cbcfc3dad405502ffce0ef4206dc [0,1,1,0,0,0|1,1,0]=4 1073 B13R1.14 Cc1ccc(cc1)CCN(C)CO 43f4946090bf0c6679769c4743ecaab5 [0,1,1,0,0,0|2,0,0]=4 1074 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2ac2e23a96f1fac3724b147c2fea1c4c [0,1,1,0,0,0|1,0,0]=3 1075 B13R1.14 Cc1ccc(cc1)CN[C@@H](C)CO 2683162a250fd51289906af5d12bd5f4 [0,1,1,0,0,0|1,0,0]=3 1076 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 6642e7d6a1a25f9811050f7e887329d2 [0,1,1,0,0,0|1,0,0]=3 1077 B13R1.14 Cc1ccc(cc1)COC(C)C=O 8b4940e2c68c3d8a001a3bba354478d5 [0,1,1,0,0,0|0,0,2]=4 1078 B13R1.14 Cc1ccc(cc1)COC(C)CF fa73f09e58d34afd4d477eed07b90779 [0,1,1,0,0,0|1,0,0]=3 1079 B13R1.14 Cc1ccc(cc1)COC(C)CS dbcb419d75defe6c18893ab782f1f1f0 [0,1,1,0,0,0|0,1,0]=3 1080 B13R1.14 Cc1ccc(cc1)CO[C@H](C)C=O 2b510ef9650f3c7dcec0d649b3aba84a [0,1,1,0,0,0|0,0,2]=4 1081 B13R1.14 Cc1ccc(cc1)CO[C@H](C)CS 8a708c0cf11ef4df765ee85c7dea70a6 [0,1,1,0,0,0|0,1,0]=3 1082 B13R1.14 Cc1ccc(cc1)NCC(C)CO c3d819e97acee10a3170c419c18b306c [0,1,1,0,0,0|2,0,0]=4 1083 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO e48ff431f5d3a9372420a8b447c531fb [0,1,1,0,0,0|2,0,0]=4 1084 B13R1.14 Cc1ccc(cc1)NC[C@H](C)CO e6fd0719444d1937cf69c322b5deeab4 [0,1,1,0,0,0|2,0,0]=4 1085 B13R1.14 Cc1ccc(cn1)CNC(C)CO 053b6597065b96815e36bae53425163e [0,1,1,0,0,0|2,0,0]=4 1086 B13R1.14 Cc1ccc(cn1)CN[C@@H](C)CO b04873e860e8c7facb5e280415214e10 [0,1,1,0,0,0|2,0,0]=4 1087 B13R1.14 Cc1ccc(cn1)CN[C@H](C)CO 512f3a539ba00de70f57eeca29198257 [0,1,1,0,0,0|2,0,0]=4 1088 B13R1.14 Cc1ccc(cn1)COC(C)CF a00b9b080b409d8041a16634e7b301cf [0,1,1,0,0,0|2,0,0]=4 1089 B13R1.14 Cc1ccc(cn1)COC(C)CS 0cd8668ba0ce1d97aa2ffe818ef53c4b [0,1,1,0,0,0|1,1,0]=4 1090 B13R1.14 Cc1ccc(cn1)CO[C@H](C)CS 3b3dea5e0338d97045187540571d1531 [0,1,1,0,0,0|1,1,0]=4 1091 B13R1.14 Cc1ccc(nc1)CNC(C)CO 53a16a9e4fd94289d7110d570b36b42c [0,1,1,0,0,0|2,0,0]=4 1092 B13R1.14 Cc1ccc(nc1)CN[C@@H](C)CO 124441ca7c7b9e5e77c77506883d96d2 [0,1,1,0,0,0|2,0,0]=4 1093 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO c651be5b37a09595a86380cff99209a6 [0,1,1,0,0,0|2,0,0]=4 1094 B13R1.14 Cc1ccc(nc1)COC(C)CF d787c66e01b8557029af7f4b3254c9e4 [0,1,1,0,0,0|2,0,0]=4 1095 B13R1.15 C#CC(C)OCc1cccc(c1)Br c50460886614a56d47711b9e4ecaa3b4 [0,1,1,0,0,0|1,0,1]=4 1096 B13R1.15 C#CC(C)OCc1cccc(c1)C 02c725c4ec0831d557ec9ff8edb1c5b2 [0,1,1,0,0,0|1,0,1]=4 1097 B13R1.15 C#CC(C)OCc1cccc(c1)Cl 09a9607b109b5c4794d8c81c9e477736 [0,1,1,0,0,0|1,0,1]=4 1098 B13R1.15 C#CC(C)OCc1cccc(c1)F e9fd78f91a6a0a0cbe67fd8a8cd3b153 [0,1,1,0,0,0|1,0,1]=4 1099 B13R1.15 C#CC(C)OCc1cccc(c1)I dff6358822a5ce224c9ff04a8c4a8b8c [0,1,1,0,0,0|1,0,1]=4 1100 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 0f4176a57d809fdd89a29522fe1b542d [0,1,1,0,0,0|1,0,1]=4 1101 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C b4cc3df1d47349d181c1dfa418b5ee89 [0,1,1,0,0,0|1,0,1]=4 1102 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 731a88cf75ea061e21a78010d69ee36b [0,1,1,0,0,0|1,0,1]=4 1103 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 5e44327a19102ee8cde183c239459683 [0,1,1,0,0,0|1,0,1]=4 1104 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 80439c69b127cd54d136ce68116342ff [0,1,1,0,0,0|1,0,1]=4 1105 B13R1.15 C#C[C@H](C)OCc1cccc(c1)Br 8df3b863a7b8540fbad8477b08ed1699 [0,1,1,0,0,0|1,0,1]=4 1106 B13R1.15 C#C[C@H](C)OCc1cccc(c1)C eb220e9b22ba520d6b9b513ecb80c207 [0,1,1,0,0,0|1,0,1]=4 1107 B13R1.15 C#C[C@H](C)OCc1cccc(c1)Cl e8ad7176448c0a12061451416626d196 [0,1,1,0,0,0|1,0,1]=4 1108 B13R1.15 C#C[C@H](C)OCc1cccc(c1)F 8c973af4671605ee65419ef96bd54ef2 [0,1,1,0,0,0|1,0,1]=4 1109 B13R1.15 C#C[C@H](C)OCc1cccc(c1)I 7283e56a5d7d35d643d83ce825ae606b [0,1,1,0,0,0|1,0,1]=4 1110 B13R1.15 C=CC(C)OCc1cccc(c1)Br 67fd76f8f82f658d3e1bf8e298a9387d [0,1,1,0,0,0|1,0,1]=4 1111 B13R1.15 C=CC(C)OCc1cccc(c1)C dfca86f05031941dc90ddec9b2a2906c [0,1,1,0,0,0|1,0,1]=4 1112 B13R1.15 C=CC(C)OCc1cccc(c1)Cl 30c86df9750947b007f3dceaad593807 [0,1,1,0,0,0|1,0,1]=4 1113 B13R1.15 C=CC(C)OCc1cccc(c1)F 804728d03805d1312f029f1c830017f8 [0,1,1,0,0,0|1,0,1]=4 1114 B13R1.15 C=CC(C)OCc1cccc(c1)I f62f577090f18a0edebbe37630a699bd [0,1,1,0,0,0|1,0,1]=4 1115 B13R1.15 C=C[C@H](C)OCc1cccc(c1)Br 6a162d43304ed0ade4498f912a301c56 [0,1,1,0,0,0|1,0,1]=4 1116 B13R1.15 C=C[C@H](C)OCc1cccc(c1)C ce0296ece0ef4fcf1645090da8cea58c [0,1,1,0,0,0|1,0,1]=4 1117 B13R1.15 C=C[C@H](C)OCc1cccc(c1)Cl 2f151d6f57db7f810f07b56c7f4ab5bd [0,1,1,0,0,0|1,0,1]=4 1118 B13R1.15 C=C[C@H](C)OCc1cccc(c1)F 26dab6448d46d7b1a30cb5c1bd5d9e11 [0,1,1,0,0,0|1,0,1]=4 1119 B13R1.15 C=C[C@H](C)OCc1cccc(c1)I d575d943d1eebc83435e25e10c5d6fce [0,1,1,0,0,0|1,0,1]=4 1120 B13R1.15 CC(C=O)OCc1cccc(c1)Br 6ad03e7733e6b1d8a0c3194cda497cb8 [0,1,1,0,0,0|0,0,2]=4 1121 B13R1.15 CC(C=O)OCc1cccc(c1)Cl f3378245606a101f3e85251a239e6689 [0,1,1,0,0,0|0,0,2]=4 1122 B13R1.15 CC(C=O)OCc1cccc(c1)F 43ab5621f14f7f35397f2277a1c18f34 [0,1,1,0,0,0|0,0,2]=4 1123 B13R1.15 CC(C=O)OCc1cccc(c1)I 2c58eab211739dfd978013f87a31a341 [0,1,1,0,0,0|0,0,2]=4 1124 B13R1.15 CC(CF)OCc1cc(ccn1)Br 8633ca353fe23dcbaa2cbf9e2cc0d5d6 [0,1,1,0,0,0|2,0,0]=4 1125 B13R1.15 CC(CF)OCc1cc(ccn1)Cl 7d172dc05e4b94d42b41701c2014867b [0,1,1,0,0,0|2,0,0]=4 1126 B13R1.15 CC(CF)OCc1cc[nH]c(=O)c1 5ecf823864778738776ca76fed2cafe0 [0,1,1,0,0,0|2,0,0]=4 1127 B13R1.15 CC(CF)OCc1cccc(c1)Br e4c572b0ecddc19d9a32ee3068540bbb [0,1,1,0,0,0|1,0,0]=3 1128 B13R1.15 CC(CF)OCc1cccc(c1)Cl 946e790aacbcfaf16344585a58e2c2f2 [0,1,1,0,0,0|1,0,0]=3 1129 B13R1.15 CC(CF)OCc1cccc(c1)F 1a360ec869cb36de679bf4021494596c [0,1,1,0,0,0|1,0,0]=3 1130 B13R1.15 CC(CF)OCc1cccc(c1)I 9ff421cc5f5587b731c4faa672c7ab64 [0,1,1,0,0,0|1,0,0]=3 1131 B13R1.15 CC(CF)OCc1cccc(n1)Br e12ded9258d61e014d3158ed6b6e53a5 [0,1,1,0,0,0|2,0,0]=4 1132 B13R1.15 CC(CF)OCc1cccc(n1)Cl e834368e1c45c5839bb71a836ba2fe16 [0,1,1,0,0,0|2,0,0]=4 1133 B13R1.15 CC(CF)OCc1cccc(n1)F 79e2e2bf9997c1084a39b5c6693ce614 [0,1,1,0,0,0|2,0,0]=4 1134 B13R1.15 CC(CF)OCc1ccnc(c1)Br c41d85425eaa3b032b183e26f2ca059d [0,1,1,0,0,0|2,0,0]=4 1135 B13R1.15 CC(CF)OCc1ccnc(c1)Cl f251c27d53a4d69c0da228b5e00dbd9f [0,1,1,0,0,0|2,0,0]=4 1136 B13R1.15 CC(CF)OCc1ccnc(c1)F d77904974613d93d9ccff61950714f5c [0,1,1,0,0,0|2,0,0]=4 1137 B13R1.15 CC(CF)OCc1cncc(c1)Br dfe5931b1adf6c6292152dda3af87eb8 [0,1,1,0,0,0|2,0,0]=4 1138 B13R1.15 CC(CF)OCc1cncc(c1)Cl 6b3624b8013524e0b5ead3f38478eaf1 [0,1,1,0,0,0|2,0,0]=4 1139 B13R1.15 CC(CF)OCc1cncc(c1)F 5394b88f8b436e0a26a356ae019d3946 [0,1,1,0,0,0|2,0,0]=4 1140 B13R1.15 CC(CO)CNc1cccc(c1)Br cda5e64e39fe2ba4fe1fb9f5613d7d6f [0,1,1,0,0,0|2,0,0]=4 1141 B13R1.15 CC(CO)CNc1cccc(c1)Cl 0f27600b38e1ddc2c80f3b3b02920cdc [0,1,1,0,0,0|2,0,0]=4 1142 B13R1.15 CC(CO)CNc1cccc(c1)F 27a80e12613e71d1523c16f2fcc29ff7 [0,1,1,0,0,0|2,0,0]=4 1143 B13R1.15 CC(CO)CNc1cccc(c1)I 4e4ca65db29503f0d913311a3d895ddf [0,1,1,0,0,0|2,0,0]=4 1144 B13R1.15 CC(CO)CNc1cccc(c1)S b34d15daa22ae4affae8a42636897b9a [0,1,1,0,0,0|2,0,0]=4 1145 B13R1.15 CC(CO)NCc1cc(ccn1)Br 865fabb60856bebe215cb935872003e8 [0,1,1,0,0,0|2,0,0]=4 1146 B13R1.15 CC(CO)NCc1cc(ccn1)Cl e94315260f4305814f2a545e11bd207a [0,1,1,0,0,0|2,0,0]=4 1147 B13R1.15 CC(CO)NCc1cc[nH]c(=O)c1 3176c715f0ae4ae959079892e9174b47 [0,1,1,0,0,0|2,0,0]=4 1148 B13R1.15 CC(CO)NCc1ccc[n+](c1)[O-] 3a3b63fb1a93c4922b55a47f17f8bc38 [0,1,1,0,0,0|2,0,0]=4 1149 B13R1.15 CC(CO)NCc1cccc(c1)Br 046476d86d08bc724a35c1c49c3fbb05 [0,1,1,0,0,0|1,0,0]=3 1150 B13R1.15 CC(CO)NCc1cccc(c1)Cl 3b1506bd00691bea28056136d8de6108 [0,1,1,0,0,0|1,0,0]=3 1151 B13R1.15 CC(CO)NCc1cccc(c1)F 3980f84f7761f10409bd9f437fc98f08 [0,1,1,0,0,0|1,0,0]=3 1152 B13R1.15 CC(CO)NCc1cccc(c1)I c8d87f6dd474d7f88ade8f6135b7d4e2 [0,1,1,0,0,0|1,0,0]=3 1153 B13R1.15 CC(CO)NCc1cccc(n1)Br 4e45c0df7ebf4a3d66701bc357f0ee07 [0,1,1,0,0,0|2,0,0]=4 1154 B13R1.15 CC(CO)NCc1cccc(n1)Cl a55e2fb63acf0c058a2901f9b3d95689 [0,1,1,0,0,0|2,0,0]=4 1155 B13R1.15 CC(CO)NCc1cccc(n1)F c459f3a63bd87f6c191649cec1a4fe10 [0,1,1,0,0,0|2,0,0]=4 1156 B13R1.15 CC(CO)NCc1ccnc(c1)Br 6c4c343dc00983c0bc76569ddf9518dc [0,1,1,0,0,0|2,0,0]=4 1157 B13R1.15 CC(CO)NCc1ccnc(c1)Cl 9a0340426faf45e177083a14a63d4cb9 [0,1,1,0,0,0|2,0,0]=4 1158 B13R1.15 CC(CO)NCc1ccnc(c1)F 37a4fcaec8eb058d675d1443c8c39b00 [0,1,1,0,0,0|2,0,0]=4 1159 B13R1.15 CC(CO)NCc1cncc(c1)Br e0fb576649d55ce8e0141417d8b3e1dd [0,1,1,0,0,0|2,0,0]=4 1160 B13R1.15 CC(CO)NCc1cncc(c1)Cl 73e9a77f6e8bacf12402f217bcd20e41 [0,1,1,0,0,0|2,0,0]=4 1161 B13R1.15 CC(CO)NCc1cncc(c1)F 2465fefce56a1467e7ba1589beb4964d [0,1,1,0,0,0|2,0,0]=4 1162 B13R1.15 CC(CS)OCc1cc(ccn1)Br 2248a45d15b7dd74530fd260a3a2ff26 [0,1,1,0,0,0|1,1,0]=4 1163 B13R1.15 CC(CS)OCc1cc(ccn1)Cl ca729745811ce8f9d3bd599248607210 [0,1,1,0,0,0|1,1,0]=4 1164 B13R1.15 CC(CS)OCc1cc[nH]c(=O)c1 c4cc54c9931d2edb8c88241c48493489 [0,1,1,0,0,0|1,1,0]=4 1165 B13R1.15 CC(CS)OCc1cccc(c1)Br b0370fdb34c85c8ad40c8b9a85944c31 [0,1,1,0,0,0|0,1,0]=3 1166 B13R1.15 CC(CS)OCc1cccc(c1)Cl f29beb206796c7fc7868cb3aa803eaf4 [0,1,1,0,0,0|0,1,0]=3 1167 B13R1.15 CC(CS)OCc1cccc(c1)F fc44d6d7c505082e1768187459f1ca53 [0,1,1,0,0,0|0,1,0]=3 1168 B13R1.15 CC(CS)OCc1cccc(c1)I ef709da4f17567d1f31781de2cf6efac [0,1,1,0,0,0|0,1,0]=3 1169 B13R1.15 CC(CS)OCc1cccc(n1)Br 366c0b0163d953a2494502648471d101 [0,1,1,0,0,0|1,1,0]=4 1170 B13R1.15 CC(CS)OCc1cccc(n1)Cl c464860a89dad0fee9797da28745d7fd [0,1,1,0,0,0|1,1,0]=4 1171 B13R1.15 CC(CS)OCc1cccc(n1)F 66c7ba85f751d82ea4db171d51618702 [0,1,1,0,0,0|1,1,0]=4 1172 B13R1.15 CC(CS)OCc1ccnc(c1)Br 92e988bc70ddf5b599a0ac003fb6d27f [0,1,1,0,0,0|1,1,0]=4 1173 B13R1.15 CC(CS)OCc1ccnc(c1)Cl 88d30a43c5d8f97c3267e2d15bfd5d57 [0,1,1,0,0,0|1,1,0]=4 1174 B13R1.15 CC(CS)OCc1ccnc(c1)F 2233c952909028bcda03a70ac1e72a5e [0,1,1,0,0,0|1,1,0]=4 1175 B13R1.15 CC(CS)OCc1cncc(c1)Br ac4d02c00205e1dc75e443f3534cb4d6 [0,1,1,0,0,0|1,1,0]=4 1176 B13R1.15 CC(CS)OCc1cncc(c1)F 3d2bb7004677f29887478b8b03d7994e [0,1,1,0,0,0|1,1,0]=4 1177 B13R1.15 CCC(C)NCc1cccc(c1)Br b7c461b55ca6b583505584280087d4b7 [0,1,1,0,0,0|2,0,0]=4 1178 B13R1.15 CCC(C)NCc1cccc(c1)C ca70dcadd5661a8b1827d668f5a52e30 [0,1,1,0,0,0|2,0,0]=4 1179 B13R1.15 CCC(C)NCc1cccc(c1)Cl a5434aeb7e9c49b4844731e8f0a95be7 [0,1,1,0,0,0|2,0,0]=4 1180 B13R1.15 CCC(C)NCc1cccc(c1)F 7b025b58be34b0656490f345b605ceb0 [0,1,1,0,0,0|2,0,0]=4 1181 B13R1.15 CCC(C)NCc1cccc(c1)I 3daff5ce7c61dfce5266b93a173021e6 [0,1,1,0,0,0|2,0,0]=4 1182 B13R1.15 CCC(C)OCc1cc(ccn1)Br 2e3f598640976d0c4c1cec6eb466008c [0,1,1,0,0,0|2,0,0]=4 1183 B13R1.15 CCC(C)OCc1cc(ccn1)C 0bfb9306c2e2fdac038294fe709e36d0 [0,1,1,0,0,0|2,0,0]=4 1184 B13R1.15 CCC(C)OCc1cc(ccn1)Cl 638b00187b44b7299a104169822180e9 [0,1,1,0,0,0|2,0,0]=4 1185 B13R1.15 CCC(C)OCc1cc(ccn1)F ec77e6a2ca616d15ad2f7a059cee6740 [0,1,1,0,0,0|2,0,0]=4 1186 B13R1.15 CCC(C)OCc1cc(ccn1)I dd4936176f353b28786975b6cc868a79 [0,1,1,0,0,0|2,0,0]=4 1187 B13R1.15 CCC(C)OCc1cc[nH]c(=O)c1 4e11a6ef21722174e5684c70c5a985fb [0,1,1,0,0,0|2,0,0]=4 1188 B13R1.15 CCC(C)OCc1ccc[n+](c1)[O-] 9b2164bb889c4d1745cc36731bf84316 [0,1,1,0,0,0|2,0,0]=4 1189 B13R1.15 CCC(C)OCc1cccc(c1)Br cbd5ed07998e8fd95653091cfb0c0257 [0,1,1,0,0,0|1,0,0]=3 1190 B13R1.15 CCC(C)OCc1cccc(c1)C 251174eb7c4f92c0a92bb1803dbbb77c [0,1,1,0,0,0|1,0,0]=3 1191 B13R1.15 CCC(C)OCc1cccc(c1)Cl 2fd7c987c77cebcb64c63a0ab783a72a [0,1,1,0,0,0|1,0,0]=3 1192 B13R1.15 CCC(C)OCc1cccc(c1)F 110d551a8a6dbe449e858b7fabab179f [0,1,1,0,0,0|1,0,0]=3 1193 B13R1.15 CCC(C)OCc1cccc(c1)I bacc020725e8248c3690baca4b231d8d [0,1,1,0,0,0|1,0,0]=3 1194 B13R1.15 CCC(C)OCc1cccc(n1)Br 50f966eaab338383514bb7b52339ee4b [0,1,1,0,0,0|2,0,0]=4 1195 B13R1.15 CCC(C)OCc1cccc(n1)C 9451bcca5d02c8164cbe70178579cc0c [0,1,1,0,0,0|2,0,0]=4 1196 B13R1.15 CCC(C)OCc1cccc(n1)Cl 1b097c077afa097d2f6350d154bdf80a [0,1,1,0,0,0|2,0,0]=4 1197 B13R1.15 CCC(C)OCc1cccc(n1)F 8273fca781cf6160b0dbeac17cbf85c4 [0,1,1,0,0,0|2,0,0]=4 1198 B13R1.15 CCC(C)OCc1cccc(n1)I 6b4d13eff8b2d6658be81722d728620e [0,1,1,0,0,0|2,0,0]=4 1199 B13R1.15 CCC(C)OCc1ccnc(c1)Br 8e47a066e6a9607387ecee3008b20c52 [0,1,1,0,0,0|2,0,0]=4 1200 B13R1.15 CCC(C)OCc1ccnc(c1)C ad478858b59908fb9fd61f9dde2ca0b1 [0,1,1,0,0,0|2,0,0]=4 1201 B13R1.15 CCC(C)OCc1ccnc(c1)Cl 77fe5ddbf918b7686bf637ef238c73f9 [0,1,1,0,0,0|2,0,0]=4 1202 B13R1.15 CCC(C)OCc1ccnc(c1)F 01f2b08bc3ffc18cc741ae2632be95b5 [0,1,1,0,0,0|2,0,0]=4 1203 B13R1.15 CCC(C)OCc1cncc(c1)Br 03aaae0623057959ff7765a4b61563df [0,1,1,0,0,0|2,0,0]=4 1204 B13R1.15 CCC(C)OCc1cncc(c1)C 8664cda1471390a612d7b8894ecde278 [0,1,1,0,0,0|2,0,0]=4 1205 B13R1.15 CCC(C)OCc1cncc(c1)Cl f30451fa71710bea8aebb651aa397fe6 [0,1,1,0,0,0|2,0,0]=4 1206 B13R1.15 CCC(C)OCc1cncc(c1)F 2c801c075855fe6ee1631f275eed70ea [0,1,1,0,0,0|2,0,0]=4 1207 B13R1.15 CCC(C)OCc1cncc(c1)I 0bdaa801421a75d84ef88969b5e9062e [0,1,1,0,0,0|2,0,0]=4 1208 B13R1.15 CC[C@@H](C)NCc1cccc(c1)Br 8a4f7f5082da4a618683c517a00cd26d [0,1,1,0,0,0|2,0,0]=4 1209 B13R1.15 CC[C@@H](C)NCc1cccc(c1)C 39e297881f7f2803d8ae3320edd7b8c4 [0,1,1,0,0,0|2,0,0]=4 1210 B13R1.15 CC[C@@H](C)NCc1cccc(c1)Cl e95ec56d3c2bf5cd3af14c871ba12ccb [0,1,1,0,0,0|2,0,0]=4 1211 B13R1.15 CC[C@@H](C)NCc1cccc(c1)F 80630c0ae8814d6c1fcbe0ae8bf657d3 [0,1,1,0,0,0|2,0,0]=4 1212 B13R1.15 CC[C@@H](C)NCc1cccc(c1)I a0d83ac75368c1d471ef3d39276226fc [0,1,1,0,0,0|2,0,0]=4 1213 B13R1.15 CC[C@@H](C)OCc1cc(ccn1)Br 3baad78fa7af0828140f5c137dfe028a [0,1,1,0,0,0|2,0,0]=4 1214 B13R1.15 CC[C@@H](C)OCc1cc(ccn1)Cl 0f44550298f905d6ad43196e3b3de9e2 [0,1,1,0,0,0|2,0,0]=4 1215 B13R1.15 CC[C@@H](C)OCc1cc[nH]c(=O)c1 cf3f6def3d49888e560bfdf513310f92 [0,1,1,0,0,0|2,0,0]=4 1216 B13R1.15 CC[C@@H](C)OCc1cccc(c1)Br 53ed52da0a416746b98b97e75865ee7b [0,1,1,0,0,0|1,0,0]=3 1217 B13R1.15 CC[C@@H](C)OCc1cccc(c1)C 00f1b53ba23510fc236a810eb1b30f36 [0,1,1,0,0,0|1,0,0]=3 1218 B13R1.15 CC[C@@H](C)OCc1cccc(c1)Cl d82fd3e2127a9696ea0ff3e171c52d76 [0,1,1,0,0,0|1,0,0]=3 1219 B13R1.15 CC[C@@H](C)OCc1cccc(c1)F d52ee6f4ed2fe56a86fbcf83e1c71875 [0,1,1,0,0,0|1,0,0]=3 1220 B13R1.15 CC[C@@H](C)OCc1cccc(c1)I 1db6b2fd6befa3c9acb56ef1268a8084 [0,1,1,0,0,0|1,0,0]=3 1221 B13R1.15 CC[C@@H](C)OCc1cccc(n1)Br ce52bbd88a49fd18455e260ffa189d00 [0,1,1,0,0,0|2,0,0]=4 1222 B13R1.15 CC[C@@H](C)OCc1cccc(n1)C 0be69b20279cd60b5e1cab8af65ed5cb [0,1,1,0,0,0|2,0,0]=4 1223 B13R1.15 CC[C@@H](C)OCc1cccc(n1)Cl 6cbd6e26bb3e60c2e616e455b2eee3c6 [0,1,1,0,0,0|2,0,0]=4 1224 B13R1.15 CC[C@@H](C)OCc1cccc(n1)F c8a3dd57e59f3df6320b2ff04d78eae6 [0,1,1,0,0,0|2,0,0]=4 1225 B13R1.15 CC[C@@H](C)OCc1ccnc(c1)Br dbdbbf683a08bfd886fe40d7e4feb1cd [0,1,1,0,0,0|2,0,0]=4 1226 B13R1.15 CC[C@@H](C)OCc1ccnc(c1)C 0edc306501cf85ca7ecf7015a9c08248 [0,1,1,0,0,0|2,0,0]=4 1227 B13R1.15 CC[C@@H](C)OCc1ccnc(c1)Cl df41acb174f30a9576e7a741ed1eb19d [0,1,1,0,0,0|2,0,0]=4 1228 B13R1.15 CC[C@@H](C)OCc1ccnc(c1)F 8463bc8d0291fef39a7ae29e5acd3407 [0,1,1,0,0,0|2,0,0]=4 1229 B13R1.15 CC[C@@H](C)OCc1cncc(c1)Br 28c5dc7660d0b68d09242dfb3c61a9f1 [0,1,1,0,0,0|2,0,0]=4 1230 B13R1.15 CC[C@@H](C)OCc1cncc(c1)Cl 6c1ac6b85eff286494df7acfd44ac9dc [0,1,1,0,0,0|2,0,0]=4 1231 B13R1.15 CC[C@@H](C)OCc1cncc(c1)F ef0b6b274240aeffe1077fe903e2ad68 [0,1,1,0,0,0|2,0,0]=4 1232 B13R1.15 CC[C@H](C)NCc1cccc(c1)Br f2280d80e856e6a8199a8994c3655741 [0,1,1,0,0,0|2,0,0]=4 1233 B13R1.15 CC[C@H](C)NCc1cccc(c1)C 4cd9319e5f3aa8dfc02c0b7cf451a158 [0,1,1,0,0,0|2,0,0]=4 1234 B13R1.15 CC[C@H](C)NCc1cccc(c1)Cl 930ff022cb73989af46c37b9c7ab522c [0,1,1,0,0,0|2,0,0]=4 1235 B13R1.15 CC[C@H](C)NCc1cccc(c1)F 7aef4ba1e8a89b4a1fa4c910a6b47493 [0,1,1,0,0,0|2,0,0]=4 1236 B13R1.15 CC[C@H](C)NCc1cccc(c1)I 58093b818a4e2db261733ed1b4033aca [0,1,1,0,0,0|2,0,0]=4 1237 B13R1.15 CC[C@H](C)OCc1cc(ccn1)Br 40e59aaa366e396d2f87dafcb4ea7e48 [0,1,1,0,0,0|2,0,0]=4 1238 B13R1.15 CC[C@H](C)OCc1cc(ccn1)Cl f4e14ec81bce5a239f1ed72a385bcb0a [0,1,1,0,0,0|2,0,0]=4 1239 B13R1.15 CC[C@H](C)OCc1cc[nH]c(=O)c1 0a3570f6fb1c459b274e68a9889a7957 [0,1,1,0,0,0|2,0,0]=4 1240 B13R1.15 CC[C@H](C)OCc1cccc(c1)Br d1adcee1429236c12967737354767f20 [0,1,1,0,0,0|1,0,0]=3 1241 B13R1.15 CC[C@H](C)OCc1cccc(c1)C f451c8bd1726bc1caa20a6708db1d21c [0,1,1,0,0,0|1,0,0]=3 1242 B13R1.15 CC[C@H](C)OCc1cccc(c1)Cl 2ea65e74282d3c5ddc9482904970a558 [0,1,1,0,0,0|1,0,0]=3 1243 B13R1.15 CC[C@H](C)OCc1cccc(c1)F b3710a4d2576129320dd17941d73c286 [0,1,1,0,0,0|1,0,0]=3 1244 B13R1.15 CC[C@H](C)OCc1cccc(c1)I d4c36aa82a2f081c00cc6aa8fd4e3841 [0,1,1,0,0,0|1,0,0]=3 1245 B13R1.15 CC[C@H](C)OCc1cccc(n1)Br 05c9d7d3b497f4462c13c546eb92e0c3 [0,1,1,0,0,0|2,0,0]=4 1246 B13R1.15 CC[C@H](C)OCc1cccc(n1)C 218cbaa4728f8b7045e37efbcbab3e98 [0,1,1,0,0,0|2,0,0]=4 1247 B13R1.15 CC[C@H](C)OCc1cccc(n1)Cl 6008d1c2c566ccf9a45c891a86f39fd5 [0,1,1,0,0,0|2,0,0]=4 1248 B13R1.15 CC[C@H](C)OCc1cccc(n1)F 3fbbf8449ecface3f09c004cb552af53 [0,1,1,0,0,0|2,0,0]=4 1249 B13R1.15 CC[C@H](C)OCc1ccnc(c1)Br 86d42281837c557ff8b6cd40886250af [0,1,1,0,0,0|2,0,0]=4 1250 B13R1.15 CC[C@H](C)OCc1ccnc(c1)C 08cd9d06222f689e4bb4f8c2e0fdc9bb [0,1,1,0,0,0|2,0,0]=4 1251 B13R1.15 CC[C@H](C)OCc1ccnc(c1)Cl 11a41b38f3f0b1130f461ab2297de30f [0,1,1,0,0,0|2,0,0]=4 1252 B13R1.15 CC[C@H](C)OCc1ccnc(c1)F d4242f64b5bbcda52215ceeff9b24fb7 [0,1,1,0,0,0|2,0,0]=4 1253 B13R1.15 CC[C@H](C)OCc1cncc(c1)Br 67888f7fd516b46846c9f5eccdb1da2e [0,1,1,0,0,0|2,0,0]=4 1254 B13R1.15 CC[C@H](C)OCc1cncc(c1)Cl e1e15a2440f2bd48b38c100e6898e81c [0,1,1,0,0,0|2,0,0]=4 1255 B13R1.15 CC[C@H](C)OCc1cncc(c1)F 0eda80529f359d848a9c71cee8dd9792 [0,1,1,0,0,0|2,0,0]=4 1256 B13R1.15 CN(CO)CCc1cccc(c1)Br 160c67c09f0663ff9f59fb7671209f67 [0,1,1,0,0,0|2,0,0]=4 1257 B13R1.15 CN(CO)CCc1cccc(c1)Cl 758febf4a1e71f247fb1db675f39dc48 [0,1,1,0,0,0|2,0,0]=4 1258 B13R1.15 CN(CO)CCc1cccc(c1)F f038ebd582e731c723c3b5c741b3a3d9 [0,1,1,0,0,0|2,0,0]=4 1259 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br f2789893b8e0414fbe589557b01351ad [0,1,1,0,0,0|2,0,0]=4 1260 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 9c6b3e7384f3bc582ac3422e29a60747 [0,1,1,0,0,0|2,0,0]=4 1261 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F b4d5172a5d43582df64811db30975cce [0,1,1,0,0,0|2,0,0]=4 1262 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 3887533137151fd7f1cb41fad1b73efe [0,1,1,0,0,0|2,0,0]=4 1263 B13R1.15 C[C@@H](CO)CNc1cccc(c1)S 4d7dd75df7a79c4ac72ef5e72c2b24ec [0,1,1,0,0,0|2,0,0]=4 1264 B13R1.15 C[C@@H](CO)NCc1cc(ccn1)Br 551bb86205eb77fd686cdd4d9cfc9005 [0,1,1,0,0,0|2,0,0]=4 1265 B13R1.15 C[C@@H](CO)NCc1cc(ccn1)Cl d00b855be4d1c4f37f85ff5be24f4ba1 [0,1,1,0,0,0|2,0,0]=4 1266 B13R1.15 C[C@@H](CO)NCc1cc[nH]c(=O)c1 e6675e31ee01039156791992e6682bee [0,1,1,0,0,0|2,0,0]=4 1267 B13R1.15 C[C@@H](CO)NCc1ccc[n+](c1)[O-] dbcfad95df424c024170a121afa9467c [0,1,1,0,0,0|2,0,0]=4 1268 B13R1.15 C[C@@H](CO)NCc1cccc(c1)Br 8461c62465f6fa5fc4eb75fad446e848 [0,1,1,0,0,0|1,0,0]=3 1269 B13R1.15 C[C@@H](CO)NCc1cccc(c1)Cl 56800286e0a3cccb869ad43fe9b593d4 [0,1,1,0,0,0|1,0,0]=3 1270 B13R1.15 C[C@@H](CO)NCc1cccc(c1)F e0afdbc8c6ea9252e1d59f3ea58e0a5b [0,1,1,0,0,0|1,0,0]=3 1271 B13R1.15 C[C@@H](CO)NCc1cccc(c1)I 228d3ce5db5299164f87278023587297 [0,1,1,0,0,0|1,0,0]=3 1272 B13R1.15 C[C@@H](CO)NCc1cccc(n1)Br d65862400aa73eb730168b9894d9696b [0,1,1,0,0,0|2,0,0]=4 1273 B13R1.15 C[C@@H](CO)NCc1cccc(n1)Cl 9a9b059710b5557e71c4ff1125f236ab [0,1,1,0,0,0|2,0,0]=4 1274 B13R1.15 C[C@@H](CO)NCc1cccc(n1)F 961fcd640397a5e7d8ce55c21f185fad [0,1,1,0,0,0|2,0,0]=4 1275 B13R1.15 C[C@@H](CO)NCc1ccnc(c1)Br dcfebb3ed858d652c77f31d00c63edd5 [0,1,1,0,0,0|2,0,0]=4 1276 B13R1.15 C[C@@H](CO)NCc1ccnc(c1)Cl eb6616f168815dcab1e80454126b5725 [0,1,1,0,0,0|2,0,0]=4 1277 B13R1.15 C[C@@H](CO)NCc1ccnc(c1)F 3cdf87b1adeabb1f6f882fd4df3fac3d [0,1,1,0,0,0|2,0,0]=4 1278 B13R1.15 C[C@@H](CO)NCc1cncc(c1)Br 246beb8db7bb2bc358a63eb4cbdb3466 [0,1,1,0,0,0|2,0,0]=4 1279 B13R1.15 C[C@@H](CO)NCc1cncc(c1)Cl e106d126d1669cd6b185c1a4a571196f [0,1,1,0,0,0|2,0,0]=4 1280 B13R1.15 C[C@@H](CO)NCc1cncc(c1)F ad93b90c147502875088fce476521ee4 [0,1,1,0,0,0|2,0,0]=4 1281 B13R1.15 C[C@H](C=O)OCc1cccc(c1)Br 597babf9a13c1c0d2b471c668619e536 [0,1,1,0,0,0|0,0,2]=4 1282 B13R1.15 C[C@H](C=O)OCc1cccc(c1)Cl e2c192c9e43b90e1dddf7c48ace3650e [0,1,1,0,0,0|0,0,2]=4 1283 B13R1.15 C[C@H](C=O)OCc1cccc(c1)F bd0d13987e489f2e970c873f2e0a50ec [0,1,1,0,0,0|0,0,2]=4 1284 B13R1.15 C[C@H](C=O)OCc1cccc(c1)I 69e37b445f03ac1e3da2c1eb88735839 [0,1,1,0,0,0|0,0,2]=4 1285 B13R1.15 C[C@H](CO)CNc1cccc(c1)Br 12728e3dae7379ba55195bdc8a8469ef [0,1,1,0,0,0|2,0,0]=4 1286 B13R1.15 C[C@H](CO)CNc1cccc(c1)Cl 486c256aee272008c74a0ea61250324b [0,1,1,0,0,0|2,0,0]=4 1287 B13R1.15 C[C@H](CO)CNc1cccc(c1)F c79da380ecb30576fbfb1021b1390ce3 [0,1,1,0,0,0|2,0,0]=4 1288 B13R1.15 C[C@H](CO)CNc1cccc(c1)I 731df43b82a6ec11318d6ef33cf0eeee [0,1,1,0,0,0|2,0,0]=4 1289 B13R1.15 C[C@H](CO)CNc1cccc(c1)S 98118b47c1700579693946a39814afb3 [0,1,1,0,0,0|2,0,0]=4 1290 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 8061d66437caf0fefbb04034f312fa5e [0,1,1,0,0,0|2,0,0]=4 1291 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 923b466d93e23dc5cee0c216442366ed [0,1,1,0,0,0|2,0,0]=4 1292 B13R1.15 C[C@H](CO)NCc1cc[nH]c(=O)c1 03ef4f75fb594c3966662b3f947dbf2d [0,1,1,0,0,0|2,0,0]=4 1293 B13R1.15 C[C@H](CO)NCc1ccc[n+](c1)[O-] e512d8e864ec183e4b33a37f34285cc0 [0,1,1,0,0,0|2,0,0]=4 1294 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 321a0b52358d49c571519ee359aa6177 [0,1,1,0,0,0|1,0,0]=3 1295 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 767e8c04d40366acd856797c922dcdc2 [0,1,1,0,0,0|1,0,0]=3 1296 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 2ec6f0928b14782081483f7ea65a51de [0,1,1,0,0,0|1,0,0]=3 1297 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 4cf64a1f908d297e19afc120603c4d54 [0,1,1,0,0,0|1,0,0]=3 1298 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 4555dca02f62b7da7dd54bae01150cee [0,1,1,0,0,0|2,0,0]=4 1299 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 9e25d7ee2bf9d78d7604ed798075ddc4 [0,1,1,0,0,0|2,0,0]=4 1300 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 9b1c4193a3a7c9c0a54de6d2efa6b70d [0,1,1,0,0,0|2,0,0]=4 1301 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Br 4719f81264e0ef4ecc8bd7e8ee354074 [0,1,1,0,0,0|2,0,0]=4 1302 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Cl 11fe381c5eca63b93c096f8b69d913ee [0,1,1,0,0,0|2,0,0]=4 1303 B13R1.15 C[C@H](CO)NCc1ccnc(c1)F a12cf62fd0c86c1bcd6f1e948429a662 [0,1,1,0,0,0|2,0,0]=4 1304 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 749fd9c0a549fc5efc7b52710baf7567 [0,1,1,0,0,0|2,0,0]=4 1305 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 254a1984592b3d2d827359905190bfa5 [0,1,1,0,0,0|2,0,0]=4 1306 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 36dd213218c15589a9c2ecc2e96aa018 [0,1,1,0,0,0|2,0,0]=4 1307 B13R1.15 C[C@H](CS)OCc1cc(ccn1)Br 588c42671e7277c1e6b0c6e18e5bfbe7 [0,1,1,0,0,0|1,1,0]=4 1308 B13R1.15 C[C@H](CS)OCc1cc(ccn1)Cl 2047ee9124a864c54a0810ea3376ba24 [0,1,1,0,0,0|1,1,0]=4 1309 B13R1.15 C[C@H](CS)OCc1cc[nH]c(=O)c1 37d221dcd2093b147f6ab7ac9465d55d [0,1,1,0,0,0|1,1,0]=4 1310 B13R1.15 C[C@H](CS)OCc1cccc(c1)Br 0afdc7256338e2fa8c71f277b474d5e7 [0,1,1,0,0,0|0,1,0]=3 1311 B13R1.15 C[C@H](CS)OCc1cccc(c1)Cl be1886cf9666899160f48d7c0bc8ee7b [0,1,1,0,0,0|0,1,0]=3 1312 B13R1.15 C[C@H](CS)OCc1cccc(c1)F e70c43d5fc715aadbf5435091e227c6b [0,1,1,0,0,0|0,1,0]=3 1313 B13R1.15 C[C@H](CS)OCc1cccc(c1)I bc7a15e0ffd3ca9385fd5468b0713dee [0,1,1,0,0,0|0,1,0]=3 1314 B13R1.15 C[C@H](CS)OCc1cccc(n1)Br 3868effd344ec9cc6861275c27281af0 [0,1,1,0,0,0|1,1,0]=4 1315 B13R1.15 C[C@H](CS)OCc1cccc(n1)Cl 1a5cef1fd56e76fca51d2ebf2f23ce73 [0,1,1,0,0,0|1,1,0]=4 1316 B13R1.15 C[C@H](CS)OCc1cccc(n1)F 8f8339121fcb202c730d3e76b30e0d4d [0,1,1,0,0,0|1,1,0]=4 1317 B13R1.15 C[C@H](CS)OCc1ccnc(c1)Br 2b304c0361c2f2a606b2970a0616b805 [0,1,1,0,0,0|1,1,0]=4 1318 B13R1.15 C[C@H](CS)OCc1ccnc(c1)Cl 1f12c01ab4574e60b0f2f137d2315eee [0,1,1,0,0,0|1,1,0]=4 1319 B13R1.15 C[C@H](CS)OCc1ccnc(c1)F fa4ddcc56ee4bdd87d5f4cb8b4c6c4af [0,1,1,0,0,0|1,1,0]=4 1320 B13R1.15 C[C@H](CS)OCc1cncc(c1)Br ad4ee4c34a17c44aa7aae20be73bd2f3 [0,1,1,0,0,0|1,1,0]=4 1321 B13R1.15 C[C@H](CS)OCc1cncc(c1)F 0df0f83d00fcd4b9fc05561b9717ccee [0,1,1,0,0,0|1,1,0]=4 1322 B13R1.15 Cc1cc(ccn1)CNC(C)CO e2a0f7668d4b9f71854dc5d5af79b6d6 [0,1,1,0,0,0|2,0,0]=4 1323 B13R1.15 Cc1cc(ccn1)CN[C@@H](C)CO da26b6dac2196b9f143e001b6396927f [0,1,1,0,0,0|2,0,0]=4 1324 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 1f4736d58584da7262cd0d1c7a823027 [0,1,1,0,0,0|2,0,0]=4 1325 B13R1.15 Cc1cc(ccn1)COC(C)CF 87922cb36b1cd77120ee0907ca78b6fa [0,1,1,0,0,0|2,0,0]=4 1326 B13R1.15 Cc1cc(ccn1)COC(C)CS d6c3ba92d71a5e9e274a7d713a0874ae [0,1,1,0,0,0|1,1,0]=4 1327 B13R1.15 Cc1cc(ccn1)CO[C@H](C)CS f5aaf8dbd166a2b93b15c6c25c181b63 [0,1,1,0,0,0|1,1,0]=4 1328 B13R1.15 Cc1cccc(c1)CCN(C)CO bb2049ed9e8f6a7755e1828bdaa63fae [0,1,1,0,0,0|2,0,0]=4 1329 B13R1.15 Cc1cccc(c1)CNC(C)CO 1ce78b6ed3d7b79ca902c12bb7d4d575 [0,1,1,0,0,0|1,0,0]=3 1330 B13R1.15 Cc1cccc(c1)CN[C@@H](C)CO 148ed790db27f855c992916ff759c2b3 [0,1,1,0,0,0|1,0,0]=3 1331 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO cb45f8d268f4d4eef02049dd2fb2a345 [0,1,1,0,0,0|1,0,0]=3 1332 B13R1.15 Cc1cccc(c1)COC(C)C=O 2f38fd7b8e1fea94768c709be4dbd9c8 [0,1,1,0,0,0|0,0,2]=4 1333 B13R1.15 Cc1cccc(c1)COC(C)CF ec1a66b934b9683bee2ba22a1b5573d3 [0,1,1,0,0,0|1,0,0]=3 1334 B13R1.15 Cc1cccc(c1)COC(C)CS eeb2e3efca39abd886c72ebeb5316988 [0,1,1,0,0,0|0,1,0]=3 1335 B13R1.15 Cc1cccc(c1)CO[C@H](C)C=O 090e986c6fc8cfcd20a540f9a4a380cc [0,1,1,0,0,0|0,0,2]=4 1336 B13R1.15 Cc1cccc(c1)CO[C@H](C)CS f47a109e582bb1ce99498f84143c75fd [0,1,1,0,0,0|0,1,0]=3 1337 B13R1.15 Cc1cccc(c1)NCC(C)CO d2f16910449449cc9185e27db58de824 [0,1,1,0,0,0|2,0,0]=4 1338 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 14958b3687c47f61f5ba4dc9b39f39bf [0,1,1,0,0,0|2,0,0]=4 1339 B13R1.15 Cc1cccc(c1)NC[C@H](C)CO 21a1a752c93f01cb1d47076cd1335caa [0,1,1,0,0,0|2,0,0]=4 1340 B13R1.15 Cc1cccc(n1)CNC(C)CO e75aed75e46f211aca8e9dc0e61888a0 [0,1,1,0,0,0|2,0,0]=4 1341 B13R1.15 Cc1cccc(n1)CN[C@@H](C)CO 1a860dc7a53a5d1caffc241b41b7e7e7 [0,1,1,0,0,0|2,0,0]=4 1342 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 76ab132346132e1b7ffe981049c2bfb5 [0,1,1,0,0,0|2,0,0]=4 1343 B13R1.15 Cc1cccc(n1)COC(C)CF a4fd11115a90bf828e0d06bb938edc5e [0,1,1,0,0,0|2,0,0]=4 1344 B13R1.15 Cc1cccc(n1)COC(C)CS 0000ea357988b311f38208a21ad9621f [0,1,1,0,0,0|1,1,0]=4 1345 B13R1.15 Cc1cccc(n1)CO[C@H](C)CS 1f2c2cff62b34d21637c45133ae41f9a [0,1,1,0,0,0|1,1,0]=4 1346 B13R1.15 Cc1ccnc(c1)CNC(C)CO 4c8bcf161e69784e8df3e7573450c0d8 [0,1,1,0,0,0|2,0,0]=4 1347 B13R1.15 Cc1ccnc(c1)CN[C@@H](C)CO 89147416a9fe600da5142533533624b3 [0,1,1,0,0,0|2,0,0]=4 1348 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO a2a437551f1162b25a8a2ac1fa23a498 [0,1,1,0,0,0|2,0,0]=4 1349 B13R1.15 Cc1cncc(c1)CNC(C)CO 40d911df557ce75f2e8ef456a2cb19a1 [0,1,1,0,0,0|2,0,0]=4 1350 B13R1.15 Cc1cncc(c1)CN[C@@H](C)CO 1bd5b9ec0d4015d3ddf94c0d4ea4dd81 [0,1,1,0,0,0|2,0,0]=4 1351 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 4db7969f76bc348c2ea4f478e36010fb [0,1,1,0,0,0|2,0,0]=4 1352 B13R1.42 C#CCC(C)OCc1ccccc1 87e1f5be78cc6b5f9357a2c4c8e68c1c [0,1,1,0,0,0|1,0,0]=3 1353 B13R1.42 C#CCC(C)OCc1ccccn1 a406730106335daff1d0a24c4caa5ebb [0,1,1,0,0,0|2,0,0]=4 1354 B13R1.42 C#CCC(C)OCc1cccnc1 020e72210008f881641d31349ec9184f [0,1,1,0,0,0|2,0,0]=4 1355 B13R1.42 C/C=C/C(C)OCc1ccccc1 c0df3343d05cb0346b99d6dc75eec6e2 [0,1,1,0,0,0|1,0,1]=4 1356 B13R1.42 C=CCC(C)OCc1ccccc1 2d3cf03808e1c94d175430914870d8d5 [0,1,1,0,0,0|1,0,0]=3 1357 B13R1.42 C=CCC(C)OCc1ccccn1 be16601e5cbcb3072b3bda9c5e5564fa [0,1,1,0,0,0|2,0,0]=4 1358 B13R1.42 C=CCC(C)OCc1cccnc1 080cf0cf36107c13745d68f3edda48d7 [0,1,1,0,0,0|2,0,0]=4 1359 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 13456c6ad6b10061e37560137720764d [0,1,1,0,0,0|1,0,0]=3 1360 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 5dfe62c6a7113f8296059c20c63b108a [0,1,1,0,0,0|2,0,0]=4 1361 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 8aa2da2a89c7c42d6472d0d99cdea2af [0,1,1,0,0,0|2,0,0]=4 1362 B13R1.42 C=CC[C@H](C)OCc1ccccc1 f380247baa60496234eede3319a99f4c [0,1,1,0,0,0|1,0,0]=3 1363 B13R1.42 C=CC[C@H](C)OCc1ccccn1 38afd8839e7c1c2a7fa1d19d63845d77 [0,1,1,0,0,0|2,0,0]=4 1364 B13R1.42 C=CC[C@H](C)OCc1cccnc1 8538101d7f9a9f69875727a9f4036e5d [0,1,1,0,0,0|2,0,0]=4 1365 B13R1.42 CC#CC(C)OCc1ccccc1 5f9658e59dc28dcda538895c59689c79 [0,1,1,0,0,0|1,0,1]=4 1366 B13R1.42 CC(CC#N)NCc1ccccc1 8fc7a6046c4b75e3b9dcff3dc71b417a [0,1,1,0,0,0|2,0,0]=4 1367 B13R1.42 CC(CC#N)OCc1ccccc1 f7e39773b16a04fd938abd3ccc58366f [0,1,1,0,0,0|1,0,0]=3 1368 B13R1.42 CC(CC#N)OCc1ccccn1 62700b93b1712051ff697402413b7307 [0,1,1,0,0,0|2,0,0]=4 1369 B13R1.42 CC(CC#N)OCc1cccnc1 dbdabded7241656f4e7fb859e072b75f [0,1,1,0,0,0|2,0,0]=4 1370 B13R1.42 CC(CC#N)OCc1ccncc1 f465673319a195145d77464a912444bf [0,1,1,0,0,0|2,0,0]=4 1371 B13R1.42 CC(CCO)CNc1ccccc1 1cbf2b82d6cb29848f970040e61bb301 [0,1,1,0,0,0|2,0,0]=4 1372 B13R1.42 CC(CCO)NCc1ccccc1 2d704fb14f90482b2a98956731d04e1c [0,1,1,0,0,0|1,0,0]=3 1373 B13R1.42 CC(CCO)NCc1ccccn1 abf48fb665ce2ad89b750447079ee5b5 [0,1,1,0,0,0|2,0,0]=4 1374 B13R1.42 CC(CCO)NCc1cccnc1 edfea8aa4a9667db3c396279c25bbc6d [0,1,1,0,0,0|2,0,0]=4 1375 B13R1.42 CC(CCO)NCc1ccncc1 efffad2ea6a882d94607f6bb735163da [0,1,1,0,0,0|2,0,0]=4 1376 B13R1.42 CC(CCc1ccccc1)NCF a42e5b5f91b83e44d4ea6cb075865f9a [0,1,1,0,0,0|2,0,0]=4 1377 B13R1.42 CC(CCc1ccccc1)NCO 573731d8365bcd386dcb0a75723b31f9 [0,1,1,0,0,0|1,0,0]=3 1378 B13R1.42 CC(CCc1ccccc1)OCF b817527da136da6614558b4fdf8a884a [0,1,1,0,0,0|2,0,0]=4 1379 B13R1.42 CC(COc1ccccc1)NCO a7f9c133fb184909aa86f334d53fc9f7 [0,1,1,0,0,0|2,0,0]=4 1380 B13R1.42 CC=CC(C)OCc1ccccc1 ea94e54106856a108ec09f1a3f6b9d4e [0,1,1,0,0,0|1,0,1]=4 1381 B13R1.42 CCCC(C)NCc1ccccc1 53154217c268f5d0598e4e12f7d298bb [0,1,1,0,0,0|2,0,0]=4 1382 B13R1.42 CCCC(C)OCc1ccccc1 62e10e03a43d42ba7fb192a9435404e6 [0,1,1,0,0,0|1,0,0]=3 1383 B13R1.42 CCCC(C)OCc1ccccn1 40f8e0befb3c172df16b70dd460301bf [0,1,1,0,0,0|2,0,0]=4 1384 B13R1.42 CCCC(C)OCc1cccnc1 765ca82df2a50c714805a125cffa66cc [0,1,1,0,0,0|2,0,0]=4 1385 B13R1.42 CCCC(C)OCc1ccncc1 e5af9595f160bb0f6dbc05eda545a675 [0,1,1,0,0,0|2,0,0]=4 1386 B13R1.42 CCC[C@@H](C)OCc1ccccc1 db98b5f2c49d1e3ddf209846b4784b59 [0,1,1,0,0,0|1,0,0]=3 1387 B13R1.42 CCC[C@@H](C)OCc1ccccn1 bd41dc578e8d2658484f7b46e8b4f85e [0,1,1,0,0,0|2,0,0]=4 1388 B13R1.42 CCC[C@@H](C)OCc1cccnc1 0944196062ba019cdaf80d334fab1ed2 [0,1,1,0,0,0|2,0,0]=4 1389 B13R1.42 CCC[C@H](C)NCc1ccccc1 d8804a42c825fa4b5c431612e37bfcee [0,1,1,0,0,0|2,0,0]=4 1390 B13R1.42 CCC[C@H](C)OCc1ccccc1 8c3ca82fcc39937ab59845512a9cd17f [0,1,1,0,0,0|1,0,0]=3 1391 B13R1.42 CCC[C@H](C)OCc1ccccn1 02380f6eb798b82e0d812ea1d39d39b8 [0,1,1,0,0,0|2,0,0]=4 1392 B13R1.42 CCC[C@H](C)OCc1cccnc1 9b528b0f1eae4b8a214ed42e884e5e0e [0,1,1,0,0,0|2,0,0]=4 1393 B13R1.42 CCNC(C)CCc1ccccc1 3a85d48c04505575d5467bc0bd9af811 [0,1,1,0,0,0|2,0,0]=4 1394 B13R1.42 CCN[C@@H](C)CCc1ccccc1 25cc2dcf1297b4ba66d4746337c79bd1 [0,1,1,0,0,0|2,0,0]=4 1395 B13R1.42 CCN[C@H](C)CCc1ccccc1 77d995264aa903f3deaa67a682fcce7b [0,1,1,0,0,0|2,0,0]=4 1396 B13R1.42 CCOC(C)CCc1ccccc1 23579034bfebccfffc6e55cea5f13e11 [0,1,1,0,0,0|2,0,0]=4 1397 B13R1.42 CCO[C@@H](C)CCc1ccccc1 b70a0a77f96b996d192896970f07f491 [0,1,1,0,0,0|2,0,0]=4 1398 B13R1.42 CCO[C@H](C)CCc1ccccc1 825f854f5bf562ec2e457866b3a4856f [0,1,1,0,0,0|2,0,0]=4 1399 B13R1.42 CN(CCO)CCc1ccccc1 4c669cc510b57787c8bc9fcbecf75376 [0,1,1,0,0,0|2,0,0]=4 1400 B13R1.42 COCC(C)NCc1ccccc1 ab1fcc440d4cc521099d3de2f29d455a [0,1,1,0,0,0|1,0,0]=3 1401 B13R1.42 COCC(C)NCc1ccccn1 fbba32a546af650e758347c492f87417 [0,1,1,0,0,0|2,0,0]=4 1402 B13R1.42 COCC(C)NCc1cccnc1 ec1595a50fb8d97857af4416ceeb6e32 [0,1,1,0,0,0|2,0,0]=4 1403 B13R1.42 COCC(C)NCc1ccncc1 ac3c06115abe6f3766fb4136013d908f [0,1,1,0,0,0|2,0,0]=4 1404 B13R1.42 COCC(C)OCc1ccccc1 11e0f0e823324ee028f381824ac985a0 [0,1,1,0,0,0|0,0,0]=2 1405 B13R1.42 COCC(C)OCc1ccccn1 474b94ea61fc08cf4221858761693ac2 [0,1,1,0,0,0|1,0,0]=3 1406 B13R1.42 COCC(C)OCc1cccnc1 d1e78e71e9f51b4b1bd3dbb5ae395841 [0,1,1,0,0,0|1,0,0]=3 1407 B13R1.42 COCC(C)OCc1cccnn1 68404a12d860dd86cf81a3f520189f8f [0,1,1,0,0,0|2,0,0]=4 1408 B13R1.42 COCC(C)OCc1ccncc1 dfae1dbb2b5681019ceb5acc2b8d99da [0,1,1,0,0,0|1,0,0]=3 1409 B13R1.42 COCC(C)OCc1ccncn1 d82bea67b3914fef36ea1dd42116bcb2 [0,1,1,0,0,0|2,0,0]=4 1410 B13R1.42 COCC(C)OCc1ccnnc1 6970a9815ce53304fa882d5d0a7eae2b [0,1,1,0,0,0|2,0,0]=4 1411 B13R1.42 COCC(C)OCc1cnccn1 586ad135204bb68c0022f61813967695 [0,1,1,0,0,0|2,0,0]=4 1412 B13R1.42 COCC(C)OCc1cncnc1 7185730d9d4c80ce1125d067067d510f [0,1,1,0,0,0|2,0,0]=4 1413 B13R1.42 COCC(C)OCc1ncccn1 669fab2ca72c06196856c1e16992b213 [0,1,1,0,0,0|2,0,0]=4 1414 B13R1.42 COCN(C)CCc1ccccc1 e7d3165b0b61bc462d79ae1576fa1ba9 [0,1,1,0,0,0|2,0,0]=4 1415 B13R1.42 COC[C@@H](C)NCc1ccccc1 466a3931c5e490fb14677f149f8080c5 [0,1,1,0,0,0|1,0,0]=3 1416 B13R1.42 COC[C@@H](C)NCc1ccccn1 390011a03833c1d95593dffb83a8c05f [0,1,1,0,0,0|2,0,0]=4 1417 B13R1.42 COC[C@@H](C)NCc1cccnc1 7cd7e1fa782a8882a54f4e01f7ca6915 [0,1,1,0,0,0|2,0,0]=4 1418 B13R1.42 COC[C@@H](C)OCc1ccccc1 51036b1f3c77dbee4e5edd16b8bd6bcb [0,1,1,0,0,0|0,0,0]=2 1419 B13R1.42 COC[C@@H](C)OCc1ccccn1 3734745c1fd39c4070ed933316bf0752 [0,1,1,0,0,0|1,0,0]=3 1420 B13R1.42 COC[C@@H](C)OCc1cccnc1 5543d573d5dd05f20aa1df573bfb699b [0,1,1,0,0,0|1,0,0]=3 1421 B13R1.42 COC[C@@H](C)OCc1cccnn1 12d8ed0aa5e2e087695f101255be5f5c [0,1,1,0,0,0|2,0,0]=4 1422 B13R1.42 COC[C@@H](C)OCc1ccncn1 4a4be99b1f6ee5c54409d6182657fd02 [0,1,1,0,0,0|2,0,0]=4 1423 B13R1.42 COC[C@@H](C)OCc1cncnc1 ab7b9abf46f08c03bd7670efa72cd206 [0,1,1,0,0,0|2,0,0]=4 1424 B13R1.42 COC[C@@H](C)OCc1ncccn1 78395d565514ce72a17089744f24202a [0,1,1,0,0,0|2,0,0]=4 1425 B13R1.42 COC[C@H](C)NCc1ccccc1 32f825cd017921b7836d59b7e65fd97a [0,1,1,0,0,0|1,0,0]=3 1426 B13R1.42 COC[C@H](C)NCc1ccccn1 fb24f8a64ec9cf1d71f0715db427cbfe [0,1,1,0,0,0|2,0,0]=4 1427 B13R1.42 COC[C@H](C)NCc1cccnc1 baa3905acf3e4c2e3349708966637e04 [0,1,1,0,0,0|2,0,0]=4 1428 B13R1.42 COC[C@H](C)OCc1ccccc1 0e493f712feabde7b5d70b60c172f1a2 [0,1,1,0,0,0|0,0,0]=2 1429 B13R1.42 COC[C@H](C)OCc1ccccn1 a0c87ae3f9ce2d0266f8cf9bddbad11b [0,1,1,0,0,0|1,0,0]=3 1430 B13R1.42 COC[C@H](C)OCc1cccnc1 fe6edc7b496f5c494f4eb9e6907d3a21 [0,1,1,0,0,0|1,0,0]=3 1431 B13R1.42 COC[C@H](C)OCc1cccnn1 924facf8f3a226f659afbd4fe5cfdda2 [0,1,1,0,0,0|2,0,0]=4 1432 B13R1.42 COC[C@H](C)OCc1ccncn1 1d1c6b0b86a044eabccd0c7138505d81 [0,1,1,0,0,0|2,0,0]=4 1433 B13R1.42 COC[C@H](C)OCc1cncnc1 4d281a54fa4c992c64c8d26eb018241c [0,1,1,0,0,0|2,0,0]=4 1434 B13R1.42 COC[C@H](C)OCc1ncccn1 53709b965eff87025eae278333b6c2c6 [0,1,1,0,0,0|2,0,0]=4 1435 B13R1.42 CSCC(C)OCc1ccccc1 c5047fc77e770d5b5eb9f1fcd10f510e [0,1,1,0,0,0|0,1,0]=3 1436 B13R1.42 CSCC(C)OCc1ccccn1 696a35e88b285b9bb56f192116eb1b9e [0,1,1,0,0,0|1,1,0]=4 1437 B13R1.42 CSCC(C)OCc1cccnc1 5761505fc068d1d7faef9ff59acbb857 [0,1,1,0,0,0|1,1,0]=4 1438 B13R1.42 C[C@@H](CC#N)OCc1ccccc1 be24e4f36e686ae691993f20b2046013 [0,1,1,0,0,0|1,0,0]=3 1439 B13R1.42 C[C@@H](CC#N)OCc1ccccn1 3f0a23af7b946d83c6966f17dce6caa5 [0,1,1,0,0,0|2,0,0]=4 1440 B13R1.42 C[C@@H](CC#N)OCc1cccnc1 410c91c427a2c3d74048b5b8be80cb86 [0,1,1,0,0,0|2,0,0]=4 1441 B13R1.42 C[C@@H](CCO)NCc1ccccc1 bc3866dbf49e39f228cb674cbc1bec8b [0,1,1,0,0,0|1,0,0]=3 1442 B13R1.42 C[C@@H](CCO)NCc1ccccn1 709c790ae075267f9ebb731e9c9319ac [0,1,1,0,0,0|2,0,0]=4 1443 B13R1.42 C[C@@H](CCO)NCc1cccnc1 9b064c5ba1620cf6559e78ca676aa5f0 [0,1,1,0,0,0|2,0,0]=4 1444 B13R1.42 C[C@@H](CCc1ccccc1)NCF 141464051b59054dc947b79a37fab287 [0,1,1,0,0,0|2,0,0]=4 1445 B13R1.42 C[C@@H](CCc1ccccc1)NCO 3759c1278ce61f38b6db3ceb186b0f09 [0,1,1,0,0,0|1,0,0]=3 1446 B13R1.42 C[C@@H](CCc1ccccc1)OCF 2d7573a53a25a898551f872deb413ea5 [0,1,1,0,0,0|2,0,0]=4 1447 B13R1.42 C[C@H](CC#N)OCc1ccccc1 862b4d2a5dd7e9fd25f039263754f779 [0,1,1,0,0,0|1,0,0]=3 1448 B13R1.42 C[C@H](CC#N)OCc1ccccn1 79aeb0e1e6f833e42c3a8ffaca1d0dca [0,1,1,0,0,0|2,0,0]=4 1449 B13R1.42 C[C@H](CC#N)OCc1cccnc1 4b48352280b848103cd573accafa6bb6 [0,1,1,0,0,0|2,0,0]=4 1450 B13R1.42 C[C@H](CCO)NCc1ccccc1 8b0dda9ac626523e27cea0e3830dbd74 [0,1,1,0,0,0|1,0,0]=3 1451 B13R1.42 C[C@H](CCO)NCc1ccccn1 ab0361bf5768167e6335736fcf2caf20 [0,1,1,0,0,0|2,0,0]=4 1452 B13R1.42 C[C@H](CCO)NCc1cccnc1 ca1baa55ef3f651ee0c0c9443b6e38f9 [0,1,1,0,0,0|2,0,0]=4 1453 B13R1.42 C[C@H](CCc1ccccc1)NCF 4e263f3ce53cc0768d172f1bde7fa992 [0,1,1,0,0,0|2,0,0]=4 1454 B13R1.42 C[C@H](CCc1ccccc1)NCO 2e4b0b7de21d868ecf19e6198b53feec [0,1,1,0,0,0|1,0,0]=3 1455 B13R1.42 C[C@H](CCc1ccccc1)OCF e1ee46cdd9db3dc0e9789b0183a6b30c [0,1,1,0,0,0|2,0,0]=4 1456 B13R1.135 CC(CO)N(C)Cc1ccccc1 b2040d31f4919def57cebe2f3b9bcf51 [0,1,1,0,0,0|1,0,0]=3 1457 B13R1.135 CC(CO)N(C)Cc1ccccn1 3c9fdef3b4a421e310540f6452a44290 [0,1,1,0,0,0|2,0,0]=4 1458 B13R1.135 CC(CO)N(C)Cc1cccnc1 0a53afdc5ab48deb8aa8d9c1061693fb [0,1,1,0,0,0|2,0,0]=4 1459 B13R1.135 CC(CO)N(C)Cc1ccncc1 2d61c3dc52ebef32b55726d41c6c4db6 [0,1,1,0,0,0|2,0,0]=4 1460 B13R1.135 CCC(C)N(C)Cc1ccccc1 e234f9a3b43c51cdfa21362e0b953970 [0,1,1,0,0,0|2,0,0]=4 1461 B13R1.135 C[C@@H](CO)N(C)Cc1ccccc1 7445e9b044c2ec7fd2309346654ec286 [0,1,1,0,0,0|1,0,0]=3 1462 B13R1.135 C[C@@H](CO)N(C)Cc1ccccn1 4f46919fb1dc121d4c3f6db1ac4a4c0d [0,1,1,0,0,0|2,0,0]=4 1463 B13R1.135 C[C@@H](CO)N(C)Cc1cccnc1 115775c66924a05cbfa999f2bffcd12c [0,1,1,0,0,0|2,0,0]=4 1464 B13R1.135 C[C@@H](CO)N(C)Cc1ccncc1 967bfa5a54a0ddec10fac5ddfcad4483 [0,1,1,0,0,0|2,0,0]=4 1465 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 1735f5f3edda1be34df094fd556d944d [0,1,1,0,0,0|1,0,0]=3 1466 B13R1.135 C[C@H](CO)N(C)Cc1ccccn1 dedda2496208f8fc493dd027a35bd72d [0,1,1,0,0,0|2,0,0]=4 1467 B13R1.135 C[C@H](CO)N(C)Cc1cccnc1 bb5103f43b2d514bbd3860b9f96aced0 [0,1,1,0,0,0|2,0,0]=4 1468 B13R1.135 C[C@H](CO)N(C)Cc1ccncc1 610327b955dbc1f9d324290378b9abfc [0,1,1,0,0,0|2,0,0]=4 1469 B13R1.254 CC(C)(CF)NCc1ccccc1 c69f3949aaaed78f67d0fa1e10da8037 [0,1,1,0,0,0|2,0,0]=4 1470 B13R1.254 CC(C)(CO)CNc1ccccc1 f8b3f5cf042ed0c0c420963fa1f3f799 [0,1,1,0,0,0|2,0,0]=4 1471 B13R1.254 CC(C)(CO)NCc1ccccc1 c0308e124e3e09217037785baaabc17b [0,1,1,0,0,0|1,0,0]=3 1472 B13R1.254 CC(C)(CO)NCc1ccccn1 af01aceb25337d8503159bb791929e4a [0,1,1,0,0,0|2,0,0]=4 1473 B13R1.254 CC(C)(CO)NCc1cccnc1 133c7b0c3adcb7eb2a3bfefeb673f146 [0,1,1,0,0,0|2,0,0]=4 1474 B13R1.254 CCC(C)(C)NCc1ccccc1 c23d315dd1142156bcb929792b807c12 [0,1,1,0,0,0|2,0,0]=4 1475 B13R1.351 CC(=O)C(C)OCc1ccccc1 b0ca707ddcb4e41a094bc5a42ddb650a [0,1,1,0,0,0|0,0,2]=4 1476 B13R1.351 CC(C)C(C)NCc1ccccc1 142313a2f7d26d0887806c5be339fc3b [0,1,1,0,0,0|2,0,0]=4 1477 B13R1.351 CC(C)C(C)OCc1ccccc1 f6ac7c8424cc7462871a98251037e6a5 [0,1,1,0,0,0|1,0,0]=3 1478 B13R1.351 CC(C)C(C)OCc1ccccn1 2328514736ded14da187b787e74f6b1a [0,1,1,0,0,0|2,0,0]=4 1479 B13R1.351 CC(C)C(C)OCc1cccnc1 0cf3c9d9df6412e332c75ac01d7e7553 [0,1,1,0,0,0|2,0,0]=4 1480 B13R1.351 CC(C)C(C)OCc1ccncc1 172ce5e301e1a8b6f4d4996197e9cd97 [0,1,1,0,0,0|2,0,0]=4 1481 B13R1.351 CC(C)[C@@H](C)NCc1ccccc1 a81814a7c9fae523e6253d4ea79b1a0d [0,1,1,0,0,0|2,0,0]=4 1482 B13R1.351 CC(C)[C@@H](C)OCc1ccccc1 cd9f97d96b89e6b31731f37cf8a6c831 [0,1,1,0,0,0|1,0,0]=3 1483 B13R1.351 CC(C)[C@@H](C)OCc1ccccn1 dfbd8c0d50cccda104d0df87d55806c9 [0,1,1,0,0,0|2,0,0]=4 1484 B13R1.351 CC(C)[C@@H](C)OCc1cccnc1 d4dcab00fa7e46dd423d6a6488049cbd [0,1,1,0,0,0|2,0,0]=4 1485 B13R1.351 CC(C)[C@H](C)NCc1ccccc1 339b2cc4ebde21423bffd826744994d1 [0,1,1,0,0,0|2,0,0]=4 1486 B13R1.351 CC(C)[C@H](C)OCc1ccccc1 fa6bc0160f4ea230b00145d0a31dab0f [0,1,1,0,0,0|1,0,0]=3 1487 B13R1.351 CC(C)[C@H](C)OCc1ccccn1 97349a930f22962dbd4cb0034278917b [0,1,1,0,0,0|2,0,0]=4 1488 B13R1.351 CC(C)[C@H](C)OCc1cccnc1 d884849a32a5852a1224d3928f413cd9 [0,1,1,0,0,0|2,0,0]=4 1489 B13R1.351 CC(NCc1ccccc1)C(=O)O 11476306961a413fe1a2a238f81af485 [0,1,1,0,0,0|1,0,1]=4 1490 B13R1.351 CC(O)C(C)NCc1ccccc1 65d85a362199dbb80eda43c8fc3b6643 [0,1,1,0,0,0|1,0,0]=3 1491 B13R1.351 CC(O)C(C)NCc1ccccn1 aad50aa3ef04ecdead624b5c6d189a36 [0,1,1,0,0,0|2,0,0]=4 1492 B13R1.351 CC(O)C(C)NCc1cccnc1 1550eafbd2e564281961404ad8bd28f1 [0,1,1,0,0,0|2,0,0]=4 1493 B13R1.351 CC(OCc1ccccc1)C(=O)N 8303bd087f002671b921f974527b4e9a [0,1,1,0,0,0|0,0,2]=4 1494 B13R1.351 CC(OCc1ccccc1)C(=O)O d0502d867f7c961202064887e47be9f1 [0,1,1,0,0,0|0,0,1]=3 1495 B13R1.351 CC(OCc1ccccc1)C(F)F ba27b787d0a679bda341582afc22985c [0,1,1,0,0,0|1,0,0]=3 1496 B13R1.351 CC(OCc1ccccn1)C(=O)O 842d4a9eef3b92f65769dca559b672cd [0,1,1,0,0,0|1,0,1]=4 1497 B13R1.351 CC(OCc1ccccn1)C(F)F 6fcf1c90d25ee9af102ddf5b0c4dd94b [0,1,1,0,0,0|2,0,0]=4 1498 B13R1.351 CC(OCc1cccnc1)C(=O)O 9d505932b3b2d871262169b53e25f020 [0,1,1,0,0,0|1,0,1]=4 1499 B13R1.351 CC(OCc1cccnc1)C(F)F fd9ccb7ff00754f9b38c8e02e32f5fc6 [0,1,1,0,0,0|2,0,0]=4 1500 B13R1.351 CC(S)C(C)OCc1ccccc1 a2ab11d63ea9ce7d148b484fd9bfd36a [0,1,1,0,0,0|0,1,0]=3 1501 B13R1.351 CC(S)C(C)OCc1ccccn1 5a66941feba12ffd7eaf39598de8e66a [0,1,1,0,0,0|1,1,0]=4 1502 B13R1.351 CC(S)C(C)OCc1cccnc1 0792b6dd2ac2c4351388799215839f63 [0,1,1,0,0,0|1,1,0]=4 1503 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)O ca85d76e84bc8a10de9905be6311207f [0,1,1,0,0,0|1,0,1]=4 1504 B13R1.351 C[C@@H](NCc1ccccc1)C(F)F 3c55e041e58d6bb58470869f1d9bc8ec [0,1,1,0,0,0|2,0,0]=4 1505 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 32c23be07c1a186a615e4f888157b31b [0,1,1,0,0,0|0,0,2]=4 1506 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)O 1a994292d471b705dba00d31459545c2 [0,1,1,0,0,0|0,0,1]=3 1507 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)O 3735c019a10c585159271744fabff41d [0,1,1,0,0,0|1,0,1]=4 1508 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)O 42906cd564e11dd8c3d404465b146752 [0,1,1,0,0,0|1,0,1]=4 1509 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O deadd5c87a755eb31844e7c631b6e140 [0,1,1,0,0,0|1,0,1]=4 1510 B13R1.351 C[C@H](NCc1ccccc1)C(F)F 710e38d430537b52a944f0ae86bf164d [0,1,1,0,0,0|2,0,0]=4 1511 B13R1.351 C[C@H](OCc1ccccc1)C(=O)N 5b0dea0dfa2f1e42d0664ab7c979d979 [0,1,1,0,0,0|0,0,2]=4 1512 B13R1.351 C[C@H](OCc1ccccc1)C(=O)O 60a4714e267885c98c36be49dd428ced [0,1,1,0,0,0|0,0,1]=3 1513 B13R1.351 C[C@H](OCc1ccccn1)C(=O)O 3348c9d17933a96867f4ca7b2cae5268 [0,1,1,0,0,0|1,0,1]=4 1514 B13R1.351 C[C@H](OCc1cccnc1)C(=O)O 1f7943fcac278f0ae7a44aa0d61be10b [0,1,1,0,0,0|1,0,1]=4 1515 B13R1.417 BrCC(CBr)OCc1ccccc1 1b38195fd8528ff11955f4f799bc5ec3 [0,1,1,0,0,0|1,0,0]=3 1516 B13R1.417 BrCC(CBr)OCc1ccccn1 059f98569eb3507bcb8a2076c491e3ac [0,1,1,0,0,0|2,0,0]=4 1517 B13R1.417 BrCC(CBr)OCc1cccnc1 5780c8b0a580936c483fce857dd29834 [0,1,1,0,0,0|2,0,0]=4 1518 B13R1.417 C#CC(CC)OCc1ccccc1 fe34c6cb1fd7685cae88a1aa1b127906 [0,1,1,0,0,0|1,0,1]=4 1519 B13R1.417 C=CC(CC)OCc1ccccc1 fe5beb69f4e8eaca615527027702b7a0 [0,1,1,0,0,0|1,0,1]=4 1520 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 f27e0dd6d5530ac0e95c20b4894b02c2 [0,1,1,0,0,0|1,0,1]=4 1521 B13R1.417 CCC(C#N)OCc1ccccc1 8ae92adfb29fdb17f15d645f3cb4e7b3 [0,1,1,0,0,0|1,0,1]=4 1522 B13R1.417 CCC(C=O)OCc1ccccc1 7e42f954680b0457c90fa3b9a0110dd2 [0,1,1,0,0,0|0,0,2]=4 1523 B13R1.417 CCC(CC)NCc1ccccc1 d33e44be019531a76e706befeb4676ba [0,1,1,0,0,0|2,0,0]=4 1524 B13R1.417 CCC(CC)OCc1ccccc1 f6f2f0325d2e972c2d5203c22b72617f [0,1,1,0,0,0|1,0,0]=3 1525 B13R1.417 CCC(CC)OCc1ccccn1 7f10439b10e0f80d9554bd05fba53e99 [0,1,1,0,0,0|2,0,0]=4 1526 B13R1.417 CCC(CC)OCc1cccnc1 25dbbaa4751778d5857822d48716d506 [0,1,1,0,0,0|2,0,0]=4 1527 B13R1.417 CCC(CC)OCc1ccncc1 c8a5a366bc9a7509b28e2ff6edcce4e2 [0,1,1,0,0,0|2,0,0]=4 1528 B13R1.417 CCC(CO)CNc1ccccc1 8d3946142dcc7cb6f0ee8416f963ee9b [0,1,1,0,0,0|2,0,0]=4 1529 B13R1.417 CCC(CO)NCc1ccccc1 4118611d5798d6436f95bebc393d2001 [0,1,1,0,0,0|1,0,0]=3 1530 B13R1.417 CCC(CO)NCc1ccccn1 54e94bbc8817dd47610a121294f76d79 [0,1,1,0,0,0|2,0,0]=4 1531 B13R1.417 CCC(CO)NCc1cccnc1 87daf970df1f11e16aa28490016d21b2 [0,1,1,0,0,0|2,0,0]=4 1532 B13R1.417 CCC(CO)NCc1ccncc1 da93c861066a753bd470bb2817bdb78d [0,1,1,0,0,0|2,0,0]=4 1533 B13R1.417 CC[C@@H](CO)NCc1ccccc1 e086dd22d9e656a2441c3cffc093f266 [0,1,1,0,0,0|1,0,0]=3 1534 B13R1.417 CC[C@@H](CO)NCc1ccccn1 908d41bd3c16389196c38ee0329caadc [0,1,1,0,0,0|2,0,0]=4 1535 B13R1.417 CC[C@@H](CO)NCc1cccnc1 8ec657ab910ad03507a7eb3171616733 [0,1,1,0,0,0|2,0,0]=4 1536 B13R1.417 CC[C@H](CO)NCc1ccccc1 43a5086c23ee0a5039b6e92e77253605 [0,1,1,0,0,0|1,0,0]=3 1537 B13R1.417 CC[C@H](CO)NCc1ccccn1 6ddc6bc17a0c1ca66d888b4adf2c31f0 [0,1,1,0,0,0|2,0,0]=4 1538 B13R1.417 CC[C@H](CO)NCc1cccnc1 c715ba63f36a6b9ffded74d3624397c6 [0,1,1,0,0,0|2,0,0]=4 1539 B13R1.417 CO[C@@H](CO)CNc1ccccc1 6349790bbcee1e2b7f121249b31683b8 [0,1,1,0,0,0|2,0,0]=4 1540 B13R1.417 ClCC(CBr)OCc1ccccc1 c0bad9be9c8ff7e98778209b4269fd29 [0,1,1,0,0,0|1,0,0]=3 1541 B13R1.417 ClCC(CBr)OCc1ccccn1 bdec501dfae5f898a351d0655235d026 [0,1,1,0,0,0|2,0,0]=4 1542 B13R1.417 ClCC(CBr)OCc1cccnc1 58340296f0f00182b64bf24de6d4a040 [0,1,1,0,0,0|2,0,0]=4 1543 B13R1.417 ClCC(CCl)OCc1ccccc1 a3a3f7c048da61ff4a869340b382f037 [0,1,1,0,0,0|1,0,0]=3 1544 B13R1.417 ClCC(CCl)OCc1ccccn1 0e68cfecb887617438b48ff8fee91ead [0,1,1,0,0,0|2,0,0]=4 1545 B13R1.417 ClCC(CCl)OCc1cccnc1 242490729b690e58b47e4b683a3a63a6 [0,1,1,0,0,0|2,0,0]=4 1546 B13R1.417 ClC[C@@H](CI)OCc1ccccc1 5db731b75f94620247a6c7cc5e4913ab [0,1,1,0,0,0|1,0,0]=3 1547 B13R1.417 ClC[C@@H](CI)OCc1ccccn1 5a608eb60e0256c8dbfdfacfa445506d [0,1,1,0,0,0|2,0,0]=4 1548 B13R1.417 ClC[C@@H](CI)OCc1cccnc1 eebe58e09aa28d9c077ba3aa7a360ca4 [0,1,1,0,0,0|2,0,0]=4 1549 B13R1.417 ClC[C@H](CI)OCc1ccccc1 9c14931d9ddf81ca350991161510329f [0,1,1,0,0,0|1,0,0]=3 1550 B13R1.417 ClC[C@H](CI)OCc1ccccn1 73d710449d7cb0bbe7da5aa0faaad0eb [0,1,1,0,0,0|2,0,0]=4 1551 B13R1.417 ClC[C@H](CI)OCc1cccnc1 08623724e1a3196d6d36398c8181e2f2 [0,1,1,0,0,0|2,0,0]=4 1552 B13R1.417 FCC(CF)OCc1ccccc1 35e0c683e0537d3e468e4ba1e15422cd [0,1,1,0,0,0|1,0,0]=3 1553 B13R1.417 FCC(CF)OCc1ccccn1 6913c8e3833a482f052e54d80f7d0eb5 [0,1,1,0,0,0|2,0,0]=4 1554 B13R1.417 FCC(CF)OCc1cccnc1 eca2084b8ec157edeb95353a661c1f06 [0,1,1,0,0,0|2,0,0]=4 1555 B13R1.417 OCC(CO)CNc1ccccc1 9812978662beae5c3eca0888fbf9753c [0,1,1,0,0,0|2,0,0]=4 1556 B13R1.417 OCC(CO)NCc1ccccc1 c31c2a235adf271b98176fc48a870b8f [0,1,1,0,0,0|1,0,0]=3 1557 B13R1.417 OCC(CO)NCc1ccccn1 362396a9c6ed1d3d88523122a0ae2ced [0,1,1,0,0,0|2,0,0]=4 1558 B13R1.417 OCC(CO)NCc1cccnc1 ffefd293a4ded6814b279310ae9ab866 [0,1,1,0,0,0|2,0,0]=4 1559 B13R1.417 OCC(CO)NCc1ccncc1 5d37a2464793020fb4af581d5593c0c1 [0,1,1,0,0,0|2,0,0]=4 1560 B13R1.417 OCC(CO)OCc1ccccc1 f866196de214b42ddffcb60775444a7a [0,1,1,0,0,0|0,0,0]=2 1561 B13R1.417 OCC(CO)OCc1ccccn1 044e7987af0d6cab292564e1a45ef887 [0,1,1,0,0,0|1,0,0]=3 1562 B13R1.417 OCC(CO)OCc1cccnc1 26ad306203a978d8b7394c05dbbc8e21 [0,1,1,0,0,0|1,0,0]=3 1563 B13R1.417 OCC(CO)OCc1cccnn1 6625a567a012e7dc4e7dd966b7a49949 [0,1,1,0,0,0|2,0,0]=4 1564 B13R1.417 OCC(CO)OCc1ccncc1 20c36bbd5f4199a08814bd42641477f6 [0,1,1,0,0,0|1,0,0]=3 1565 B13R1.417 OCC(CO)OCc1ccncn1 a5c89d0070ca22696b85d6d5cd54ff6d [0,1,1,0,0,0|2,0,0]=4 1566 B13R1.417 OCC(CO)OCc1ccnnc1 41304e7958e46d154ba8b72bc2900598 [0,1,1,0,0,0|2,0,0]=4 1567 B13R1.417 OCC(CO)OCc1cnccn1 2c6a9735645f55b8f516022738e2932c [0,1,1,0,0,0|2,0,0]=4 1568 B13R1.417 OCC(CO)OCc1cncnc1 5351041eb465810059e739334171e2c9 [0,1,1,0,0,0|2,0,0]=4 1569 B13R1.417 OCC(CO)OCc1ncccn1 cf43b97bf7562be3e2a570cb12507118 [0,1,1,0,0,0|2,0,0]=4 1570 B13R1.528 C#CC(C)OCc1ccccc1Cl 072427e6378fae1023d5d59182405c4f [0,1,1,0,0,0|1,0,1]=4 1571 B13R1.528 C#CC(C)OCc1ccccc1F eb7334a5a7b6a2f7bd65cb6245ed0474 [0,1,1,0,0,0|1,0,1]=4 1572 B13R1.528 C#CC(C)OCc1ccccc1I 7cebdd2d4bf8df8c4322084deff481af [0,1,1,0,0,0|1,0,1]=4 1573 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl a4005cd16c93f925f647f04c9b42a97e [0,1,1,0,0,0|1,0,1]=4 1574 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 1d6cb31af691b92d3204f56b8a77cbb4 [0,1,1,0,0,0|1,0,1]=4 1575 B13R1.528 C#C[C@@H](C)OCc1ccccc1I b4cea53f43da7efcfe2fa6510cb47177 [0,1,1,0,0,0|1,0,1]=4 1576 B13R1.528 C#C[C@H](C)OCc1ccccc1Cl 131cf1531ad58df23ac26e0298e7546f [0,1,1,0,0,0|1,0,1]=4 1577 B13R1.528 C#C[C@H](C)OCc1ccccc1F 28d328caac6a359f52da5b9c66edf0a5 [0,1,1,0,0,0|1,0,1]=4 1578 B13R1.528 C#C[C@H](C)OCc1ccccc1I 559deec0129f19295ffaa87b2bb2f20f [0,1,1,0,0,0|1,0,1]=4 1579 B13R1.528 C=CC(C)OCc1ccccc1C 321609cefd0f3800379a63e4e1405021 [0,1,1,0,0,0|1,0,1]=4 1580 B13R1.528 C=CC(C)OCc1ccccc1Cl b04ee458e029134d4cac1a7b28c2630c [0,1,1,0,0,0|1,0,1]=4 1581 B13R1.528 C=CC(C)OCc1ccccc1F df29f84b6e99f9f8f3641c736bf90410 [0,1,1,0,0,0|1,0,1]=4 1582 B13R1.528 C=CC(C)OCc1ccccc1I dc8431dcdc31511e6e663cd3e97aa39d [0,1,1,0,0,0|1,0,1]=4 1583 B13R1.528 C=CC(C)OCc1ccccc1S 93130f1b6af2b0584936badb5ddc5962 [0,1,1,0,0,0|1,0,1]=4 1584 B13R1.528 C=C[C@H](C)OCc1ccccc1C 1b2baa088ee72cd4662bae4e1e8659e3 [0,1,1,0,0,0|1,0,1]=4 1585 B13R1.528 C=C[C@H](C)OCc1ccccc1Cl 11c40292e6b07e6858eadc114036390e [0,1,1,0,0,0|1,0,1]=4 1586 B13R1.528 C=C[C@H](C)OCc1ccccc1F 9023b023baaaa8078bb3d71f692c08a2 [0,1,1,0,0,0|1,0,1]=4 1587 B13R1.528 C=C[C@H](C)OCc1ccccc1I f5b21d47d11504aea209892709dffb4d [0,1,1,0,0,0|1,0,1]=4 1588 B13R1.528 CC(C=O)OCc1ccccc1Cl e51ce74d5a3e35ed3a84da392957d348 [0,1,1,0,0,0|0,0,2]=4 1589 B13R1.528 CC(C=O)OCc1ccccc1F e26121536853319e853f3fc517f6d62e [0,1,1,0,0,0|0,0,2]=4 1590 B13R1.528 CC(C=O)OCc1ccccc1I 416dd777b8b5adcee19ca91a275a7952 [0,1,1,0,0,0|0,0,2]=4 1591 B13R1.528 CC(C=O)OCc1ccccc1S 18992e463999e1623e954ad1ee6206d2 [0,1,1,0,0,0|0,0,2]=4 1592 B13R1.528 CC(CF)OCc1ccccc1Cl cc481467db462d2ec66c00aaa9ab87c9 [0,1,1,0,0,0|1,0,0]=3 1593 B13R1.528 CC(CF)OCc1ccccc1F 95cf589166c0b2dac94c106840db3803 [0,1,1,0,0,0|1,0,0]=3 1594 B13R1.528 CC(CF)OCc1ccccc1I 16bf047dfaf4bb3d27c831cc8d18efb9 [0,1,1,0,0,0|1,0,0]=3 1595 B13R1.528 CC(CF)OCc1cccnc1Br 44175bfeeef181bac955afab90fb4586 [0,1,1,0,0,0|2,0,0]=4 1596 B13R1.528 CC(CF)OCc1cccnc1Cl 01f4866ea3034dc639fda705e85e3f16 [0,1,1,0,0,0|2,0,0]=4 1597 B13R1.528 CC(CF)OCc1cccnc1F cb85a8eb48513d5be99747c91a4c71ad [0,1,1,0,0,0|2,0,0]=4 1598 B13R1.528 CC(CF)OCc1ccncc1Cl 7576f4363995f6e532c2cc37574a993b [0,1,1,0,0,0|2,0,0]=4 1599 B13R1.528 CC(CF)OCc1ccncc1F 0ea8df281b53134f27fd321430456e33 [0,1,1,0,0,0|2,0,0]=4 1600 B13R1.528 CC(CF)OCc1ncccc1Br 52b2faddc82bee1cbf837bad037de569 [0,1,1,0,0,0|2,0,0]=4 1601 B13R1.528 CC(CF)OCc1ncccc1Cl 4c6d3e39423fb245636e2b4ae1af9eca [0,1,1,0,0,0|2,0,0]=4 1602 B13R1.528 CC(CF)OCc1ncccc1F 2efcbea8c3a9480e6d30a75fa8b10011 [0,1,1,0,0,0|2,0,0]=4 1603 B13R1.528 CC(CO)CNc1ccccc1Br 5183f3dd8037b09965bba605113db494 [0,1,1,0,0,0|2,0,0]=4 1604 B13R1.528 CC(CO)CNc1ccccc1Cl 04041f2bc037643d607047fcb0618a66 [0,1,1,0,0,0|2,0,0]=4 1605 B13R1.528 CC(CO)CNc1ccccc1F ac8544206854abcce03fcf7bd4b428d0 [0,1,1,0,0,0|2,0,0]=4 1606 B13R1.528 CC(CO)CNc1ccccc1I ccdc9fccd6e4ad79f2a966beb20bc87f [0,1,1,0,0,0|2,0,0]=4 1607 B13R1.528 CC(CO)CNc1ccccc1S b3442b4e6f43140b83a7875b1153a3c9 [0,1,1,0,0,0|2,0,0]=4 1608 B13R1.528 CC(CO)NCc1cccc[n+]1[O-] fb7d5671bf898da4e4f87f5c30dbea60 [0,1,1,0,0,0|2,0,0]=4 1609 B13R1.528 CC(CO)NCc1ccccc1Br 87f505fc2e9cc51ff8ef7b1566020c78 [0,1,1,0,0,0|1,0,0]=3 1610 B13R1.528 CC(CO)NCc1ccccc1Cl 1fa68ea12feac5a20f497a13121b7ee5 [0,1,1,0,0,0|1,0,0]=3 1611 B13R1.528 CC(CO)NCc1ccccc1F 3bd233c8fdd1e4e31293b88bab53b091 [0,1,1,0,0,0|1,0,0]=3 1612 B13R1.528 CC(CO)NCc1ccccc1I 79b52a5f5a85e83bf421ab9234a61b90 [0,1,1,0,0,0|1,0,0]=3 1613 B13R1.528 CC(CO)NCc1cccnc1Br d07e724dbca0eb2f7ac9f995b94d7a9e [0,1,1,0,0,0|2,0,0]=4 1614 B13R1.528 CC(CO)NCc1cccnc1Cl efb3387f40bf12fd86111efe0c873a91 [0,1,1,0,0,0|2,0,0]=4 1615 B13R1.528 CC(CO)NCc1cccnc1F 8f9a64e5b3248aa22b35e842820bb564 [0,1,1,0,0,0|2,0,0]=4 1616 B13R1.528 CC(CO)NCc1ccncc1Br b8be78fd499979cbab2af8f2dd4e0a9f [0,1,1,0,0,0|2,0,0]=4 1617 B13R1.528 CC(CO)NCc1ccncc1Cl ca612bbab99990b5b6b15570c6174226 [0,1,1,0,0,0|2,0,0]=4 1618 B13R1.528 CC(CO)NCc1ccncc1F 843dbeb316a5fe3bad94580b92b9e5bd [0,1,1,0,0,0|2,0,0]=4 1619 B13R1.528 CC(CO)NCc1ncccc1Br 3a6f0c45fe35abec1bf9ab78d20367c5 [0,1,1,0,0,0|2,0,0]=4 1620 B13R1.528 CC(CO)NCc1ncccc1Cl 726616abccf71af24475fcbcc753ee5a [0,1,1,0,0,0|2,0,0]=4 1621 B13R1.528 CC(CO)NCc1ncccc1F 6e922b41aaf3bd868f9718ecdcc2b65e [0,1,1,0,0,0|2,0,0]=4 1622 B13R1.528 CC(CS)OCc1ccccc1Cl 63f0aaf68c5f549c0b111fed3bbfdd6a [0,1,1,0,0,0|0,1,0]=3 1623 B13R1.528 CC(CS)OCc1ccccc1F 3006e8e0b6e6143b33f3ffb695a06271 [0,1,1,0,0,0|0,1,0]=3 1624 B13R1.528 CC(CS)OCc1ccccc1I 109c2e0a0472fa618292626277a2ab31 [0,1,1,0,0,0|0,1,0]=3 1625 B13R1.528 CC(CS)OCc1cccnc1Br 28474b3a869e2a0b89ca66f02252bea5 [0,1,1,0,0,0|1,1,0]=4 1626 B13R1.528 CC(CS)OCc1cccnc1Cl 73f95d2a7ea0b728c72a34a4ac6f4e93 [0,1,1,0,0,0|1,1,0]=4 1627 B13R1.528 CC(CS)OCc1cccnc1F 8d65903899096baa12983f40f9f69890 [0,1,1,0,0,0|1,1,0]=4 1628 B13R1.528 CC(CS)OCc1ccncc1Cl 6d83cb102c98306849cd461fefd2620c [0,1,1,0,0,0|1,1,0]=4 1629 B13R1.528 CC(CS)OCc1ncccc1Br 3d01ae66d28895aec9e042af0bb93549 [0,1,1,0,0,0|1,1,0]=4 1630 B13R1.528 CC(CS)OCc1ncccc1Cl 60a1ea54d6211595f3051e97bea3aeb1 [0,1,1,0,0,0|1,1,0]=4 1631 B13R1.528 CC(CS)OCc1ncccc1F 568fd877550ea1c26c8a43116f128cd7 [0,1,1,0,0,0|1,1,0]=4 1632 B13R1.528 CCC(C)NCc1ccccc1Cl e9f35ce50377c5d8f6fb7804e87ec8c4 [0,1,1,0,0,0|2,0,0]=4 1633 B13R1.528 CCC(C)NCc1ccccc1F 930234aa3b6099e6be59aee1e440d196 [0,1,1,0,0,0|2,0,0]=4 1634 B13R1.528 CCC(C)NCc1ccccc1I 6201fa911018c083778b247086b8cc5f [0,1,1,0,0,0|2,0,0]=4 1635 B13R1.528 CCC(C)OCc1ccc[nH]c1=O db55396d2e77031c09fb5ecdbc35e35d [0,1,1,0,0,0|2,0,0]=4 1636 B13R1.528 CCC(C)OCc1ccccc1Cl 273213ea0efd020f897b42ae4be5bc56 [0,1,1,0,0,0|1,0,0]=3 1637 B13R1.528 CCC(C)OCc1ccccc1F 746aaa2e244d53eded998e467512094c [0,1,1,0,0,0|1,0,0]=3 1638 B13R1.528 CCC(C)OCc1ccccc1I 790eb01b9b2d503f78e3fe029b15e20b [0,1,1,0,0,0|1,0,0]=3 1639 B13R1.528 CCC(C)OCc1cccnc1Br 77d9b888db009a42dc057c7bd6070f04 [0,1,1,0,0,0|2,0,0]=4 1640 B13R1.528 CCC(C)OCc1cccnc1C bea825f7e16065a0425ed5b13a58662e [0,1,1,0,0,0|2,0,0]=4 1641 B13R1.528 CCC(C)OCc1cccnc1Cl 7bbcc4af4898331f58f09c814eaee09d [0,1,1,0,0,0|2,0,0]=4 1642 B13R1.528 CCC(C)OCc1cccnc1F 2d77587f826c3d36255f1dc004ec87fa [0,1,1,0,0,0|2,0,0]=4 1643 B13R1.528 CCC(C)OCc1ccncc1Br 9020e5a50c6e8a1a6393f36fd02b59cd [0,1,1,0,0,0|2,0,0]=4 1644 B13R1.528 CCC(C)OCc1ccncc1C 0e1cbf562e9e06b4176ef7d710ae3bcb [0,1,1,0,0,0|2,0,0]=4 1645 B13R1.528 CCC(C)OCc1ccncc1Cl e339261933368684698e2614a920b3a6 [0,1,1,0,0,0|2,0,0]=4 1646 B13R1.528 CCC(C)OCc1ccncc1F 0d037bf1a726482140d244f15c5c90f7 [0,1,1,0,0,0|2,0,0]=4 1647 B13R1.528 CCC(C)OCc1ccncc1I e50c72ccef0e1c6964328a7971a8a597 [0,1,1,0,0,0|2,0,0]=4 1648 B13R1.528 CCC(C)OCc1cnccc1Br d87ab56f085b51d088aa09910c75720b [0,1,1,0,0,0|2,0,0]=4 1649 B13R1.528 CCC(C)OCc1cnccc1C b255162a7d028d7d390c5deec2dc4509 [0,1,1,0,0,0|2,0,0]=4 1650 B13R1.528 CCC(C)OCc1cnccc1Cl 3b0f5ff6699e0f5b95a560abdfa3ab98 [0,1,1,0,0,0|2,0,0]=4 1651 B13R1.528 CCC(C)OCc1cnccc1F d97c7313fb6362fde6f94e97da4892be [0,1,1,0,0,0|2,0,0]=4 1652 B13R1.528 CCC(C)OCc1ncccc1Br cec1ec43a5b8850f0aecefd7ab9f572a [0,1,1,0,0,0|2,0,0]=4 1653 B13R1.528 CCC(C)OCc1ncccc1C 2238d06c4643fccc923396fb85afca27 [0,1,1,0,0,0|2,0,0]=4 1654 B13R1.528 CCC(C)OCc1ncccc1Cl 7b9d8da8c278df411427224ac52ef3b3 [0,1,1,0,0,0|2,0,0]=4 1655 B13R1.528 CCC(C)OCc1ncccc1F a4694e3e1084a8bb6c0b8863d089b280 [0,1,1,0,0,0|2,0,0]=4 1656 B13R1.528 CC[C@@H](C)NCc1ccccc1Cl 0c017ba2bb15145809dccb9d2970b923 [0,1,1,0,0,0|2,0,0]=4 1657 B13R1.528 CC[C@@H](C)NCc1ccccc1F 8420fe95780578d950e2c44d89987299 [0,1,1,0,0,0|2,0,0]=4 1658 B13R1.528 CC[C@@H](C)NCc1ccccc1I f6dc7c4d85d6fe4d33d147c028ef9142 [0,1,1,0,0,0|2,0,0]=4 1659 B13R1.528 CC[C@@H](C)OCc1ccccc1Cl 5be53b86e01b2b097f1b2400c7677048 [0,1,1,0,0,0|1,0,0]=3 1660 B13R1.528 CC[C@@H](C)OCc1ccccc1F 2a58101c18e478e509b77ff748280dad [0,1,1,0,0,0|1,0,0]=3 1661 B13R1.528 CC[C@@H](C)OCc1ccccc1I cf64934f09fe791c3f79992d4c0a0b88 [0,1,1,0,0,0|1,0,0]=3 1662 B13R1.528 CC[C@@H](C)OCc1cccnc1Br 65b37d518f5aceeb2d666b90aba59dd1 [0,1,1,0,0,0|2,0,0]=4 1663 B13R1.528 CC[C@@H](C)OCc1cccnc1C 7ee25e15af2e6b06067846eb0a012ab0 [0,1,1,0,0,0|2,0,0]=4 1664 B13R1.528 CC[C@@H](C)OCc1cccnc1Cl 2a3c2cb78917a9a7ed118e5f4d5a2838 [0,1,1,0,0,0|2,0,0]=4 1665 B13R1.528 CC[C@@H](C)OCc1cccnc1F 19943f941d7431e44daf557ecb316db4 [0,1,1,0,0,0|2,0,0]=4 1666 B13R1.528 CC[C@@H](C)OCc1ccncc1Cl 212acb9586ed24211bbb3d151355a9b7 [0,1,1,0,0,0|2,0,0]=4 1667 B13R1.528 CC[C@@H](C)OCc1ccncc1F 6bba4424e7c435bed1ed4d9918cf00c7 [0,1,1,0,0,0|2,0,0]=4 1668 B13R1.528 CC[C@@H](C)OCc1ncccc1Br ff41af346ca108611aa73b1f193a67f5 [0,1,1,0,0,0|2,0,0]=4 1669 B13R1.528 CC[C@@H](C)OCc1ncccc1C 4c74cb75a96444ffd8fae676178179c7 [0,1,1,0,0,0|2,0,0]=4 1670 B13R1.528 CC[C@@H](C)OCc1ncccc1Cl 850fa7992485df74ace9a7bc6c36c3ce [0,1,1,0,0,0|2,0,0]=4 1671 B13R1.528 CC[C@@H](C)OCc1ncccc1F c09c0b09b234ab6cb8a69af6358d050b [0,1,1,0,0,0|2,0,0]=4 1672 B13R1.528 CC[C@H](C)NCc1ccccc1Cl a4f80632964b44be81866a3bffd62d91 [0,1,1,0,0,0|2,0,0]=4 1673 B13R1.528 CC[C@H](C)NCc1ccccc1F 09de97e535d114110419f7d261aa912b [0,1,1,0,0,0|2,0,0]=4 1674 B13R1.528 CC[C@H](C)NCc1ccccc1I f6c24968358a14edd478c0751458d552 [0,1,1,0,0,0|2,0,0]=4 1675 B13R1.528 CC[C@H](C)OCc1ccccc1Cl e1fd7513c32f75cac75294991d030676 [0,1,1,0,0,0|1,0,0]=3 1676 B13R1.528 CC[C@H](C)OCc1ccccc1F 92da9e3b11a2a4b8b75412a428d39a2f [0,1,1,0,0,0|1,0,0]=3 1677 B13R1.528 CC[C@H](C)OCc1ccccc1I 8b8c302321da51f37e6fba36b4220d15 [0,1,1,0,0,0|1,0,0]=3 1678 B13R1.528 CC[C@H](C)OCc1cccnc1Br 0218a12bac022648114c722563016f67 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.528 CC[C@H](C)OCc1cccnc1C ca09bc6a716283794465a5d498d925e1 [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.528 CC[C@H](C)OCc1cccnc1Cl bbc1f5133e6978773ec66d2826457871 [0,1,1,0,0,0|2,0,0]=4 1681 B13R1.528 CC[C@H](C)OCc1cccnc1F 4ba4c62fb371c907bd31318ba9191471 [0,1,1,0,0,0|2,0,0]=4 1682 B13R1.528 CC[C@H](C)OCc1ccncc1Cl bb98857e37f01db7ea1278a2c778be28 [0,1,1,0,0,0|2,0,0]=4 1683 B13R1.528 CC[C@H](C)OCc1ccncc1F 6a8b057abab429000131624f72857d9e [0,1,1,0,0,0|2,0,0]=4 1684 B13R1.528 CC[C@H](C)OCc1ncccc1Br 10624b29abccd3ee822b8fc695a681ca [0,1,1,0,0,0|2,0,0]=4 1685 B13R1.528 CC[C@H](C)OCc1ncccc1C c04670b1aa8a1673e057a3ed3753dd26 [0,1,1,0,0,0|2,0,0]=4 1686 B13R1.528 CC[C@H](C)OCc1ncccc1Cl b90a54846e6db5c993de7b31b8ae0dfd [0,1,1,0,0,0|2,0,0]=4 1687 B13R1.528 CC[C@H](C)OCc1ncccc1F db68c9e6fd73c5cb872c88b9a1fb09c7 [0,1,1,0,0,0|2,0,0]=4 1688 B13R1.528 CN(CO)CCc1ccccc1Cl d8403d5f66f37d422a993d6d51dedc46 [0,1,1,0,0,0|2,0,0]=4 1689 B13R1.528 CN(CO)CCc1ccccc1F bcb4177b73b5cbc0b52cf6c07ba7c2ff [0,1,1,0,0,0|2,0,0]=4 1690 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 3de5084a6921e6c4e8f82ee0cd61744d [0,1,1,0,0,0|2,0,0]=4 1691 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 7412af0bb9c5993d3866383bd9a32da4 [0,1,1,0,0,0|2,0,0]=4 1692 B13R1.528 C[C@@H](CO)CNc1ccccc1F 61a0cf1a1f9f79d9ca8cbc146790875b [0,1,1,0,0,0|2,0,0]=4 1693 B13R1.528 C[C@@H](CO)CNc1ccccc1I 125931c7e0d6ea7900ca8572951404ab [0,1,1,0,0,0|2,0,0]=4 1694 B13R1.528 C[C@@H](CO)CNc1ccccc1S 58f5bce03a1983b85837c981bebee2e2 [0,1,1,0,0,0|2,0,0]=4 1695 B13R1.528 C[C@@H](CO)NCc1cccc[n+]1[O-] 9383562a9d5e279e008aeba37c56b6b8 [0,1,1,0,0,0|2,0,0]=4 1696 B13R1.528 C[C@@H](CO)NCc1ccccc1Br e18b2736ed8eb51e9099aa70ce39f040 [0,1,1,0,0,0|1,0,0]=3 1697 B13R1.528 C[C@@H](CO)NCc1ccccc1Cl 5f6a13bccb147528c3f9b61fd5db4f37 [0,1,1,0,0,0|1,0,0]=3 1698 B13R1.528 C[C@@H](CO)NCc1ccccc1F 4ead5b1581e89600db3db3b5e60ca3b5 [0,1,1,0,0,0|1,0,0]=3 1699 B13R1.528 C[C@@H](CO)NCc1ccccc1I 23e7361270c6fc7f5356c1d92a1595f2 [0,1,1,0,0,0|1,0,0]=3 1700 B13R1.528 C[C@@H](CO)NCc1cccnc1Br 5101c8b115f4cab28097ea68eb074f97 [0,1,1,0,0,0|2,0,0]=4 1701 B13R1.528 C[C@@H](CO)NCc1cccnc1Cl 5a9190305c2ef2356d1606221cf4d58e [0,1,1,0,0,0|2,0,0]=4 1702 B13R1.528 C[C@@H](CO)NCc1cccnc1F ed0cb3278faa47fc8ef02b67495f0da8 [0,1,1,0,0,0|2,0,0]=4 1703 B13R1.528 C[C@@H](CO)NCc1ccncc1Br 35fc7f51e515627ba36b752a59f2003d [0,1,1,0,0,0|2,0,0]=4 1704 B13R1.528 C[C@@H](CO)NCc1ccncc1Cl cfe29474408c1ffce8cb0324dbe4e844 [0,1,1,0,0,0|2,0,0]=4 1705 B13R1.528 C[C@@H](CO)NCc1ccncc1F 17ec81fce6879c0c7f1cc1ae3dadc9e6 [0,1,1,0,0,0|2,0,0]=4 1706 B13R1.528 C[C@@H](CO)NCc1ncccc1Br 2cf2fc103f4790d3b2aa05aafcd10a71 [0,1,1,0,0,0|2,0,0]=4 1707 B13R1.528 C[C@@H](CO)NCc1ncccc1Cl f0f26c7d59aeafc8e5e7805a85970db4 [0,1,1,0,0,0|2,0,0]=4 1708 B13R1.528 C[C@@H](CO)NCc1ncccc1F 1b193dd8ea157cce620c22aa1a68b231 [0,1,1,0,0,0|2,0,0]=4 1709 B13R1.528 C[C@H](C=O)OCc1ccccc1Cl 66a3c67c7af8694140e4aacd90dc83c3 [0,1,1,0,0,0|0,0,2]=4 1710 B13R1.528 C[C@H](C=O)OCc1ccccc1F 047aff045f1e4d4c3609a5e028bd3acb [0,1,1,0,0,0|0,0,2]=4 1711 B13R1.528 C[C@H](C=O)OCc1ccccc1I ee2448bf1353e1ff846e024f979e5ade [0,1,1,0,0,0|0,0,2]=4 1712 B13R1.528 C[C@H](C=O)OCc1ccccc1S 9edd4770f0057c13a090969dff2d4af2 [0,1,1,0,0,0|0,0,2]=4 1713 B13R1.528 C[C@H](CO)CNc1ccccc1Br 7b6f2f61566810ac3e90fbd6f2d9c387 [0,1,1,0,0,0|2,0,0]=4 1714 B13R1.528 C[C@H](CO)CNc1ccccc1Cl e87a68c64934c9465028bf1bcedb1054 [0,1,1,0,0,0|2,0,0]=4 1715 B13R1.528 C[C@H](CO)CNc1ccccc1F d5b826b6ee7fc40b80335a968fd2991e [0,1,1,0,0,0|2,0,0]=4 1716 B13R1.528 C[C@H](CO)CNc1ccccc1I e8338d2cd4318e218a229b9245e5e2d7 [0,1,1,0,0,0|2,0,0]=4 1717 B13R1.528 C[C@H](CO)CNc1ccccc1S db53871bfe04cc75dae67727cfbe81ed [0,1,1,0,0,0|2,0,0]=4 1718 B13R1.528 C[C@H](CO)NCc1cccc[n+]1[O-] f3582f075a4c9b21559af1cac483d9f2 [0,1,1,0,0,0|2,0,0]=4 1719 B13R1.528 C[C@H](CO)NCc1ccccc1Br 0783c4b7a5131be436eebf2b4153d121 [0,1,1,0,0,0|1,0,0]=3 1720 B13R1.528 C[C@H](CO)NCc1ccccc1Cl f2fc0bda0f346b0dfe5bbaca9dfee403 [0,1,1,0,0,0|1,0,0]=3 1721 B13R1.528 C[C@H](CO)NCc1ccccc1F 2cd4a82fe370b53c03f879722508fc50 [0,1,1,0,0,0|1,0,0]=3 1722 B13R1.528 C[C@H](CO)NCc1ccccc1I ecc235929894be74c0216f5a1356d8ba [0,1,1,0,0,0|1,0,0]=3 1723 B13R1.528 C[C@H](CO)NCc1cccnc1Br 7a4c2b1717cec4061725772ab70657bc [0,1,1,0,0,0|2,0,0]=4 1724 B13R1.528 C[C@H](CO)NCc1cccnc1Cl 3d3a6b982ad8b1d1d16674725863333f [0,1,1,0,0,0|2,0,0]=4 1725 B13R1.528 C[C@H](CO)NCc1cccnc1F 6cb206f1aacf246eb6f989fc00ea5715 [0,1,1,0,0,0|2,0,0]=4 1726 B13R1.528 C[C@H](CO)NCc1ccncc1Br 015ead5fea9a08f748f2399325de51f5 [0,1,1,0,0,0|2,0,0]=4 1727 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 8cbfec47f056803d716d64770e05fb85 [0,1,1,0,0,0|2,0,0]=4 1728 B13R1.528 C[C@H](CO)NCc1ccncc1F d671f84647645f5dc6fa671a956b583c [0,1,1,0,0,0|2,0,0]=4 1729 B13R1.528 C[C@H](CO)NCc1ncccc1Br d057f4ada48c0067f50e833729812575 [0,1,1,0,0,0|2,0,0]=4 1730 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 833d3c681038b75e82f43bd653f68af5 [0,1,1,0,0,0|2,0,0]=4 1731 B13R1.528 C[C@H](CO)NCc1ncccc1F 146e005e18002c53571c9a93ae453c62 [0,1,1,0,0,0|2,0,0]=4 1732 B13R1.528 C[C@H](CS)OCc1ccccc1Cl 22ff9ef15c1df337d22f63260f84c2d9 [0,1,1,0,0,0|0,1,0]=3 1733 B13R1.528 C[C@H](CS)OCc1ccccc1F 3b044071f09811062a091efe26bd933c [0,1,1,0,0,0|0,1,0]=3 1734 B13R1.528 C[C@H](CS)OCc1ccccc1I 5e2448361674a519535c100d10b654af [0,1,1,0,0,0|0,1,0]=3 1735 B13R1.528 C[C@H](CS)OCc1cccnc1Br 17e95fac1aec9fcaba1840a69889a2b6 [0,1,1,0,0,0|1,1,0]=4 1736 B13R1.528 C[C@H](CS)OCc1cccnc1Cl 2c4f896a04d3fb425944ddb5edbe1682 [0,1,1,0,0,0|1,1,0]=4 1737 B13R1.528 C[C@H](CS)OCc1cccnc1F 558633f5a149ad54a6f9cc68dae4044c [0,1,1,0,0,0|1,1,0]=4 1738 B13R1.528 C[C@H](CS)OCc1ccncc1Cl d8fa2f1ef39674d7e2a2b9af4dfdf1c8 [0,1,1,0,0,0|1,1,0]=4 1739 B13R1.528 C[C@H](CS)OCc1ncccc1Br 3426b9066f16a921ba27056c70a0bc0d [0,1,1,0,0,0|1,1,0]=4 1740 B13R1.528 C[C@H](CS)OCc1ncccc1Cl 8073264e06f337bb0aabc68063142c05 [0,1,1,0,0,0|1,1,0]=4 1741 B13R1.528 C[C@H](CS)OCc1ncccc1F 0abd5cfbcd68bec247890878b40c04e8 [0,1,1,0,0,0|1,1,0]=4 1742 B13R1.528 Cc1ccccc1CNC(C)CO 5fe3a20c3e8aacc2c2d84c444fccdb86 [0,1,1,0,0,0|1,0,0]=3 1743 B13R1.528 Cc1ccccc1CN[C@@H](C)CO 5864c5f38a533e91c90ed8963c87fa7d [0,1,1,0,0,0|1,0,0]=3 1744 B13R1.528 Cc1ccccc1CN[C@H](C)CO 569a13e34c1f30de7024d097a0e29725 [0,1,1,0,0,0|1,0,0]=3 1745 B13R1.528 Cc1ccccc1COC(C)C=O 31ef6fd9851b156eac087f5214ef785a [0,1,1,0,0,0|0,0,2]=4 1746 B13R1.528 Cc1ccccc1COC(C)CF e2fe940a32a408ff0495b6c7dd38658a [0,1,1,0,0,0|1,0,0]=3 1747 B13R1.528 Cc1ccccc1NCC(C)CO 42e17ac294b21da2a4da200d7f39f657 [0,1,1,0,0,0|2,0,0]=4 1748 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 88f0da12a4989c00a2f35cb81c7f8da0 [0,1,1,0,0,0|2,0,0]=4 1749 B13R1.528 Cc1ccccc1NC[C@H](C)CO 1135b422ee05beb9de597d0281b6d5e9 [0,1,1,0,0,0|2,0,0]=4 1750 B13R1.528 Cc1cccnc1CNC(C)CO 1d46c95ac567300ad164cff63a588b05 [0,1,1,0,0,0|2,0,0]=4 1751 B13R1.528 Cc1cccnc1CN[C@@H](C)CO 24c9c8f875ec7823d48c3968183c028f [0,1,1,0,0,0|2,0,0]=4 1752 B13R1.528 Cc1cccnc1CN[C@H](C)CO 58dc286f5fae3db4658f4891bd38662b [0,1,1,0,0,0|2,0,0]=4 1753 B13R1.528 Cc1cccnc1COC(C)CF 1954ca16250915b2ae4eb75323a1623f [0,1,1,0,0,0|2,0,0]=4 1754 B13R1.528 Cc1cccnc1COC(C)CS f40d37bbb3f5e5a0c230888fe28f157c [0,1,1,0,0,0|1,1,0]=4 1755 B13R1.528 Cc1cccnc1CO[C@H](C)CS 6a10150669a919dbc81de7d79fc919d5 [0,1,1,0,0,0|1,1,0]=4 1756 B13R1.528 Cc1ccncc1COC(C)CF 28c2ffd7f22a79e6ca9ecfe27990dfeb [0,1,1,0,0,0|2,0,0]=4 1757 B13R1.528 Cc1cnccc1CNC(C)CO a516c98361256b606ddbda29d253e647 [0,1,1,0,0,0|2,0,0]=4 1758 B13R1.528 Cc1cnccc1CN[C@@H](C)CO 62bfe2a19b1f86dd25ee1716dd15d9d8 [0,1,1,0,0,0|2,0,0]=4 1759 B13R1.528 Cc1cnccc1CN[C@H](C)CO fc77b457b2e60ef311932f6759aab907 [0,1,1,0,0,0|2,0,0]=4 1760 B13R1.528 Cc1ncccc1CNC(C)CO 19171fb9d0b3cc461c5385ea08272d92 [0,1,1,0,0,0|2,0,0]=4 1761 B13R1.528 Cc1ncccc1CN[C@@H](C)CO f9f97387d5adacf3ef55968b4f5b801f [0,1,1,0,0,0|2,0,0]=4 1762 B13R1.528 Cc1ncccc1CN[C@H](C)CO 8e49a231576016493fa5f0765b8f38a0 [0,1,1,0,0,0|2,0,0]=4 1763 B13R1.528 Cc1ncccc1COC(C)CF 12fdcdcd99807fb9d105360bdcd15bc5 [0,1,1,0,0,0|2,0,0]=4 1764 B13R1.528 Cc1ncccc1COC(C)CS 3d68d2192ff54c6820ba114555e2c649 [0,1,1,0,0,0|1,1,0]=4 1765 B13R1.528 Cc1ncccc1CO[C@H](C)CS 235f15151a19c2018ea417a7bf24a35b [0,1,1,0,0,0|1,1,0]=4 1766 B13R1.17 CC(OCCF)c1ccc(cc1)Br 1d9d89d065a95ac64a431b877d7ca526 [0,1,1,0,0,0|2,0,0]=4 1767 B13R1.17 CC(OCCF)c1ccc(cc1)Cl 16a4ef26f6f8049837ed634eec2c57bb [0,1,1,0,0,0|2,0,0]=4 1768 B13R1.17 CC(OCCF)c1ccc(cc1)F dc15dfd275a28d27f96c6a865262716c [0,1,1,0,0,0|2,0,0]=4 1769 B13R1.17 CC(OCCF)c1ccc(cc1)I 305b9a6660fdd45001f0ad33a5ac73ee [0,1,1,0,0,0|2,0,0]=4 1770 B13R1.17 CC(OCCS)c1ccc(cc1)Br a0c8392d119b9a9aba770ad9306b69f6 [0,1,1,0,0,0|2,0,0]=4 1771 B13R1.17 CC(OCCS)c1ccc(cc1)Cl e91e1a77cb915dc2744914cb24f27abd [0,1,1,0,0,0|2,0,0]=4 1772 B13R1.17 CC(OCCS)c1ccc(cc1)F b9a0772c0772ea1a4602166cb1a5bbaf [0,1,1,0,0,0|2,0,0]=4 1773 B13R1.17 CC(OCCS)c1ccc(cc1)I 8f222c77adaf9b62eddf3496ff22c8fd [0,1,1,0,0,0|2,0,0]=4 1774 B13R1.17 CCCNC(C)c1ccc(cc1)Br 149d45e68c419a13000ff7a7332779ce [0,1,1,0,0,0|2,0,0]=4 1775 B13R1.17 CCCNC(C)c1ccc(cc1)C be9411501dd3ba25492210c1ec55fb33 [0,1,1,0,0,0|2,0,0]=4 1776 B13R1.17 CCCNC(C)c1ccc(cc1)F 6346231ae3cb9ca27ddc8af4bef3f568 [0,1,1,0,0,0|2,0,0]=4 1777 B13R1.17 CCCNC(C)c1ccc(cc1)I 29715955b8b0cac2cef214e92c6322f7 [0,1,1,0,0,0|2,0,0]=4 1778 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)Br 4c36e818323715c4093b3da121e9eb04 [0,1,1,0,0,0|2,0,0]=4 1779 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)C 296d7ffd97f30d15a270e7aaee1b88c7 [0,1,1,0,0,0|2,0,0]=4 1780 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F fe53c4a44f13e246100324c5a09e7218 [0,1,1,0,0,0|2,0,0]=4 1781 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 3d7bbb8ef1109b3670ffd0dcb42b36f7 [0,1,1,0,0,0|2,0,0]=4 1782 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 9ed7228ff8db2a7ee9cbcac4bb722be6 [0,1,1,0,0,0|2,0,0]=4 1783 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 6408087848430a4fed1d1a70ed5b0b6c [0,1,1,0,0,0|2,0,0]=4 1784 B13R1.17 CCCN[C@H](C)c1ccc(cc1)F 9655711fb7ce93ab3ae189761d17fe6a [0,1,1,0,0,0|2,0,0]=4 1785 B13R1.17 CCCN[C@H](C)c1ccc(cc1)I 6bed810f506b2c7b6e766969c9f26032 [0,1,1,0,0,0|2,0,0]=4 1786 B13R1.17 CCCOC(C)c1ccc(cc1)Br 24e9fc6be2d279796662c6b20f704e6c [0,1,1,0,0,0|1,0,0]=3 1787 B13R1.17 CCCOC(C)c1ccc(cc1)C 2db940d1d4a2b77ea414cb36093162cd [0,1,1,0,0,0|1,0,0]=3 1788 B13R1.17 CCCOC(C)c1ccc(cc1)Cl 1ea807a30b00bbb4da60c630db391d89 [0,1,1,0,0,0|1,0,0]=3 1789 B13R1.17 CCCOC(C)c1ccc(cc1)F b02029d96d953868ea041c71ffe50e2d [0,1,1,0,0,0|1,0,0]=3 1790 B13R1.17 CCCOC(C)c1ccc(cc1)I b7cd81099c485cb8e0f483501f46222a [0,1,1,0,0,0|1,0,0]=3 1791 B13R1.17 CCCOC(C)c1ccc(cn1)C a9709550248944a29872ded1e2421e6c [0,1,1,0,0,0|2,0,0]=4 1792 B13R1.17 CCCOC(C)c1ccc(cn1)Cl 9ec24a6852b90aab4b17b7d2215af364 [0,1,1,0,0,0|2,0,0]=4 1793 B13R1.17 CCCOC(C)c1ccc(cn1)F 43e97e4fbe9d8e90017f070a3ef15f6f [0,1,1,0,0,0|2,0,0]=4 1794 B13R1.17 CCCOC(C)c1ccc(nc1)C 9d34d414ecf39c91744e42245f8e2e33 [0,1,1,0,0,0|2,0,0]=4 1795 B13R1.17 CCCOC(C)c1ccc(nc1)Cl f4d37489a7f96e96fd83de9b8d691588 [0,1,1,0,0,0|2,0,0]=4 1796 B13R1.17 CCCOC(C)c1ccc(nc1)F 3a3962f39908a06488c5d3288f3248b5 [0,1,1,0,0,0|2,0,0]=4 1797 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Br e430af95dfd9cd28f5a0320cf32f25d9 [0,1,1,0,0,0|1,0,0]=3 1798 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)C 9da61d82ea7feff1a540691d9d178098 [0,1,1,0,0,0|1,0,0]=3 1799 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 284e36b019d479e807504ea421575b50 [0,1,1,0,0,0|1,0,0]=3 1800 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)F 43cf5aeb48eae5bab1cbef38bf82c916 [0,1,1,0,0,0|1,0,0]=3 1801 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)I b36c7551934e64f484772e172d69efae [0,1,1,0,0,0|1,0,0]=3 1802 B13R1.17 CCCO[C@@H](C)c1ccc(nc1)Cl 9f429852a3ab11fbfededd335a422ae5 [0,1,1,0,0,0|2,0,0]=4 1803 B13R1.17 CCCO[C@H](C)c1ccc(cc1)Br d6b3e4a36ee16607da8eaac1e0469ce6 [0,1,1,0,0,0|1,0,0]=3 1804 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 106fe624213a9914a9ccc05e14c6718f [0,1,1,0,0,0|1,0,0]=3 1805 B13R1.17 CCCO[C@H](C)c1ccc(cc1)Cl 7353fddcf530d3a36ec0ed4f540a40bb [0,1,1,0,0,0|1,0,0]=3 1806 B13R1.17 CCCO[C@H](C)c1ccc(cc1)F 655245918f4f08458cf26f98c7bd282e [0,1,1,0,0,0|1,0,0]=3 1807 B13R1.17 CCCO[C@H](C)c1ccc(cc1)I 82b8586b5ee141c5610d51708938fa4c [0,1,1,0,0,0|1,0,0]=3 1808 B13R1.17 CCCO[C@H](C)c1ccc(cn1)F 677977ff088f3d9749079bff3bc6294a [0,1,1,0,0,0|2,0,0]=4 1809 B13R1.17 CCCO[C@H](C)c1ccc(nc1)Cl 3e0f4ad7d90a82a8f7ff87d41b6029ae [0,1,1,0,0,0|2,0,0]=4 1810 B13R1.17 CCNCC(O)c1ccc(cc1)Br c5078f73f9236806de13372fb4090799 [0,1,1,0,0,0|2,0,0]=4 1811 B13R1.17 CCNCC(O)c1ccc(cc1)C b3b55aee14fd11e98aaf485cbc3b8f36 [0,1,1,0,0,0|2,0,0]=4 1812 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2b0339c50e5a60c0760ef52598579d32 [0,1,1,0,0,0|2,0,0]=4 1813 B13R1.17 CCNCC(O)c1ccc(cc1)F b1b03683730dbf1ed29315cf11677ed9 [0,1,1,0,0,0|2,0,0]=4 1814 B13R1.17 COCOC(C)c1ccc(cc1)Br 1dc16bcb448e844ca72ad25209fa3f9b [0,1,1,0,0,0|2,0,0]=4 1815 B13R1.17 COCOC(C)c1ccc(cc1)C 53aff0b43624e1d0baf20ca347df4781 [0,1,1,0,0,0|2,0,0]=4 1816 B13R1.17 COCOC(C)c1ccc(cc1)F 177cc145d14fbf86b5763cf6c697060b [0,1,1,0,0,0|2,0,0]=4 1817 B13R1.17 COCOC(C)c1ccc(cc1)I 8003834c21fae057f15fff193fc5ab92 [0,1,1,0,0,0|2,0,0]=4 1818 B13R1.17 COCO[C@@H](C)c1ccc(cc1)C 054bf67a4f2c753fca68bdc2fd20ac95 [0,1,1,0,0,0|2,0,0]=4 1819 B13R1.17 COCO[C@@H](C)c1ccc(cc1)F 016e75eb72207e1dd773be35bd4c6203 [0,1,1,0,0,0|2,0,0]=4 1820 B13R1.17 COCO[C@@H](C)c1ccc(cc1)I d6ab375e9fc049579737188cade58bbd [0,1,1,0,0,0|2,0,0]=4 1821 B13R1.17 COCO[C@H](C)c1ccc(cc1)C 541e684f552c72baa6892116bb154bef [0,1,1,0,0,0|2,0,0]=4 1822 B13R1.17 COCO[C@H](C)c1ccc(cc1)F 92b8989e800e545c2131e6e45ec8b15e [0,1,1,0,0,0|2,0,0]=4 1823 B13R1.17 COCO[C@H](C)c1ccc(cc1)I c1543b8370d5555d88967dc5cfcaac78 [0,1,1,0,0,0|2,0,0]=4 1824 B13R1.17 CSCOC(C)c1ccc(cc1)C 925d94b04c0858f5b73990ab48d43a4d [0,1,1,0,0,0|2,0,0]=4 1825 B13R1.17 CSCOC(C)c1ccc(cc1)F c61e690e99cf2099af346eafffb3d1a4 [0,1,1,0,0,0|2,0,0]=4 1826 B13R1.17 CSCOC(C)c1ccc(cc1)I cf75abaa1cf09dcca42bc6d01be21343 [0,1,1,0,0,0|2,0,0]=4 1827 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)C 044f938ed304c6b9f3dd50e04765201c [0,1,1,0,0,0|2,0,0]=4 1828 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)F 30ae8c6d6fc9e00f1d72e0fc846727c8 [0,1,1,0,0,0|2,0,0]=4 1829 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)I f462135489fb33d6a52814f3c8986736 [0,1,1,0,0,0|2,0,0]=4 1830 B13R1.17 CSCO[C@H](C)c1ccc(cc1)C 6a729c4f7d9c2096ae90f8a1ef605115 [0,1,1,0,0,0|2,0,0]=4 1831 B13R1.17 CSCO[C@H](C)c1ccc(cc1)F e45490a3eacb69e9aa2a5378e30fc7da [0,1,1,0,0,0|2,0,0]=4 1832 B13R1.17 CSCO[C@H](C)c1ccc(cc1)I ddf53f4af2ab024137f7430c5b4f5577 [0,1,1,0,0,0|2,0,0]=4 1833 B13R1.17 C[C@@H](OCCF)c1ccc(cc1)Br e926a4202be6144bb0e585259cb25afb [0,1,1,0,0,0|2,0,0]=4 1834 B13R1.17 C[C@@H](OCCF)c1ccc(cc1)Cl a1f3f46a95267e0a482761a7519370fc [0,1,1,0,0,0|2,0,0]=4 1835 B13R1.17 C[C@@H](OCCF)c1ccc(cc1)F 54e5e5c7813347c986193307f3df4528 [0,1,1,0,0,0|2,0,0]=4 1836 B13R1.17 C[C@@H](OCCF)c1ccc(cc1)I 717eacf480ac55fa975582bd183c587c [0,1,1,0,0,0|2,0,0]=4 1837 B13R1.17 C[C@@H](OCCS)c1ccc(cc1)Br 406363f82166079d5841d20ce7982e6f [0,1,1,0,0,0|2,0,0]=4 1838 B13R1.17 C[C@@H](OCCS)c1ccc(cc1)Cl 149b7f838f7b91f0d66de67f912e5ef8 [0,1,1,0,0,0|2,0,0]=4 1839 B13R1.17 C[C@@H](OCCS)c1ccc(cc1)F 298887870d61c309e3018f26c5e1b403 [0,1,1,0,0,0|2,0,0]=4 1840 B13R1.17 C[C@@H](OCCS)c1ccc(cc1)I 6beb33fa744e361a5b8ae4f478983628 [0,1,1,0,0,0|2,0,0]=4 1841 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Br 77951531c7d859f40c1f10938774e523 [0,1,1,0,0,0|2,0,0]=4 1842 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 73650cff5cbd1f5ac7f1b1d5ce5d6808 [0,1,1,0,0,0|2,0,0]=4 1843 B13R1.17 C[C@H](OCCF)c1ccc(cc1)F 99741545959df3184cf4422bcaca611b [0,1,1,0,0,0|2,0,0]=4 1844 B13R1.17 C[C@H](OCCF)c1ccc(cc1)I 86cc02ccdacf3ae746a391bcf2ceb6d7 [0,1,1,0,0,0|2,0,0]=4 1845 B13R1.17 C[C@H](OCCS)c1ccc(cc1)Br 2755ad1f45a551a1a843e77be29ac79a [0,1,1,0,0,0|2,0,0]=4 1846 B13R1.17 C[C@H](OCCS)c1ccc(cc1)Cl b10320170a534e42f7ccdaeaf4deffa6 [0,1,1,0,0,0|2,0,0]=4 1847 B13R1.17 C[C@H](OCCS)c1ccc(cc1)F 0a93786feb586f4310d5886caa74f4b5 [0,1,1,0,0,0|2,0,0]=4 1848 B13R1.17 C[C@H](OCCS)c1ccc(cc1)I a8f2bd7b5d1a999b882e115ffa437ca4 [0,1,1,0,0,0|2,0,0]=4 1849 B13R1.17 Cc1ccc(cc1)C(C)OCCF 0b5300168f0cf833b34ee6c92944718c [0,1,1,0,0,0|2,0,0]=4 1850 B13R1.17 Cc1ccc(cc1)C(C)OCCS d766819d6c3e97517b9e49855e77d211 [0,1,1,0,0,0|2,0,0]=4 1851 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 52df7fa250f613a10e5d130dc331ce90 [0,1,1,0,0,0|2,0,0]=4 1852 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCS 5e78064e94e781e72c75803ac9eaa3f7 [0,1,1,0,0,0|2,0,0]=4 1853 B13R1.17 Cc1ccc(cc1)[C@H](C)OCCF 1d9bae71b6137475855f0ee30b891771 [0,1,1,0,0,0|2,0,0]=4 1854 B13R1.17 Cc1ccc(cc1)[C@H](C)OCCS 79202c94ab33a3902babf92fb9a67d74 [0,1,1,0,0,0|2,0,0]=4 1855 B13R1.18 CC(OCCF)c1cccc(c1)Br 7c8b400e697a86f2344b1b2b365f3507 [0,1,1,0,0,0|2,0,0]=4 1856 B13R1.18 CC(OCCF)c1cccc(c1)Cl 87a284201120595733b0545d87799eb2 [0,1,1,0,0,0|2,0,0]=4 1857 B13R1.18 CC(OCCF)c1cccc(c1)F 0d2f03a4a8997d3765103b725c9a824f [0,1,1,0,0,0|2,0,0]=4 1858 B13R1.18 CC(OCCF)c1cccc(c1)I d9738de82d4aee689b525564a7b94cf7 [0,1,1,0,0,0|2,0,0]=4 1859 B13R1.18 CC(OCCS)c1cccc(c1)Br 9c70887f6fe5b3dc684451454312575c [0,1,1,0,0,0|2,0,0]=4 1860 B13R1.18 CC(OCCS)c1cccc(c1)Cl d0fdc662916c18ef2d66767da0fbb3be [0,1,1,0,0,0|2,0,0]=4 1861 B13R1.18 CC(OCCS)c1cccc(c1)F 9f13078c881c53ea81a4200bc2a402e2 [0,1,1,0,0,0|2,0,0]=4 1862 B13R1.18 CC(OCCS)c1cccc(c1)I a225beb32d7bd123a8d0ca2badd5139c [0,1,1,0,0,0|2,0,0]=4 1863 B13R1.18 CCCNC(C)c1cccc(c1)Br 796102597c2b46c0a93d5ce66e1a793e [0,1,1,0,0,0|2,0,0]=4 1864 B13R1.18 CCCNC(C)c1cccc(c1)C 4f2fbfa3ea7125d2a6a5878dc5690f4c [0,1,1,0,0,0|2,0,0]=4 1865 B13R1.18 CCCNC(C)c1cccc(c1)Cl 601006674e7735696ab9b9936f206668 [0,1,1,0,0,0|2,0,0]=4 1866 B13R1.18 CCCNC(C)c1cccc(c1)F d04b92e81f162e80d4eca0d9f9ceec7b [0,1,1,0,0,0|2,0,0]=4 1867 B13R1.18 CCCN[C@@H](C)c1cccc(c1)Br 0b601dc72ac0de21fb684eb5069a8326 [0,1,1,0,0,0|2,0,0]=4 1868 B13R1.18 CCCN[C@@H](C)c1cccc(c1)C f9770b669f59a435072958da2d34f92f [0,1,1,0,0,0|2,0,0]=4 1869 B13R1.18 CCCN[C@@H](C)c1cccc(c1)Cl 065a11a66c1e55d07de288945abe24d2 [0,1,1,0,0,0|2,0,0]=4 1870 B13R1.18 CCCN[C@@H](C)c1cccc(c1)F 283a56e69fe1b1aefc11e478d81e1a34 [0,1,1,0,0,0|2,0,0]=4 1871 B13R1.18 CCCN[C@@H](C)c1cccc(c1)I 628c9635bf1201683d8d851262f0b8ff [0,1,1,0,0,0|2,0,0]=4 1872 B13R1.18 CCCN[C@H](C)c1cccc(c1)Br 374d7dd7506bbbb80524cbc07b57f27c [0,1,1,0,0,0|2,0,0]=4 1873 B13R1.18 CCCN[C@H](C)c1cccc(c1)C aad62916290a548b031af7da0a937616 [0,1,1,0,0,0|2,0,0]=4 1874 B13R1.18 CCCN[C@H](C)c1cccc(c1)Cl 4440e8a25afc35fd304bea8e0d9558af [0,1,1,0,0,0|2,0,0]=4 1875 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 669aeafb2cc987d0276b312b3fece493 [0,1,1,0,0,0|2,0,0]=4 1876 B13R1.18 CCCOC(C)c1cc(ccn1)Br eebea71dcd5287d7b051326136bf2b6e [0,1,1,0,0,0|2,0,0]=4 1877 B13R1.18 CCCOC(C)c1cc(ccn1)C 5a062067f40cd0f1940d772643207d12 [0,1,1,0,0,0|2,0,0]=4 1878 B13R1.18 CCCOC(C)c1cc(ccn1)Cl 012798d836332f3ff2b6a716f59a803d [0,1,1,0,0,0|2,0,0]=4 1879 B13R1.18 CCCOC(C)c1cccc(c1)Br 61bca04fcd7fbd4426bbf3802e216b26 [0,1,1,0,0,0|1,0,0]=3 1880 B13R1.18 CCCOC(C)c1cccc(c1)C 4597f8b4ce25c915a5f5c5bd61b0fba4 [0,1,1,0,0,0|1,0,0]=3 1881 B13R1.18 CCCOC(C)c1cccc(c1)Cl 8379d9f2e5cb7a95fd3de5ba8e3701ce [0,1,1,0,0,0|1,0,0]=3 1882 B13R1.18 CCCOC(C)c1cccc(c1)F c9d3aad8813557bbe4a74f0fef7480e1 [0,1,1,0,0,0|1,0,0]=3 1883 B13R1.18 CCCOC(C)c1cccc(c1)I b8280cfca53799488856a9f207a166d8 [0,1,1,0,0,0|1,0,0]=3 1884 B13R1.18 CCCOC(C)c1cccc(n1)F f9174a968b8203608221fb0bf379a723 [0,1,1,0,0,0|2,0,0]=4 1885 B13R1.18 CCCOC(C)c1ccnc(c1)Br 359e1e78e6a8b65bae4eea4bc37b4a39 [0,1,1,0,0,0|2,0,0]=4 1886 B13R1.18 CCCOC(C)c1ccnc(c1)C b0b7e7d20a25f9797b1d1d849cf83c06 [0,1,1,0,0,0|2,0,0]=4 1887 B13R1.18 CCCOC(C)c1ccnc(c1)Cl eaf3f36226edc523c9636ab6b782eaf4 [0,1,1,0,0,0|2,0,0]=4 1888 B13R1.18 CCCOC(C)c1cncc(c1)Cl a7b4a66fd0b0bcdb140636e51f786663 [0,1,1,0,0,0|2,0,0]=4 1889 B13R1.18 CCCOC(C)c1cncc(c1)F db5801af56a804785ef62a6241edad44 [0,1,1,0,0,0|2,0,0]=4 1890 B13R1.18 CCCO[C@@H](C)c1cccc(c1)Br e1d898f01d7540ed221f9d3f367e3d3c [0,1,1,0,0,0|1,0,0]=3 1891 B13R1.18 CCCO[C@@H](C)c1cccc(c1)C 724b7240fa63853157404b05671c34b5 [0,1,1,0,0,0|1,0,0]=3 1892 B13R1.18 CCCO[C@@H](C)c1cccc(c1)Cl 02693601251f226ca0106b45d627632f [0,1,1,0,0,0|1,0,0]=3 1893 B13R1.18 CCCO[C@@H](C)c1cccc(c1)F eff5b33c8b44fcef7340eabb3889e022 [0,1,1,0,0,0|1,0,0]=3 1894 B13R1.18 CCCO[C@H](C)c1cc(ccn1)C b81792ba9e5774a45ae4a6cdaf9cff20 [0,1,1,0,0,0|2,0,0]=4 1895 B13R1.18 CCCO[C@H](C)c1cccc(c1)Br e3ab901f34d8d86c8c4ef66ca439c665 [0,1,1,0,0,0|1,0,0]=3 1896 B13R1.18 CCCO[C@H](C)c1cccc(c1)C 023cecc6d849939c08fac9cb6377a80a [0,1,1,0,0,0|1,0,0]=3 1897 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl a8e51750d6bf0a7b00225578549af946 [0,1,1,0,0,0|1,0,0]=3 1898 B13R1.18 CCCO[C@H](C)c1cccc(c1)F 39c2e315bd07eb18f17b75ed5a8ba5da [0,1,1,0,0,0|1,0,0]=3 1899 B13R1.18 CCNCC(O)c1cccc(c1)Cl 686d5049c6ad29cd3d6884ac43d05d7a [0,1,1,0,0,0|2,0,0]=4 1900 B13R1.18 COCOC(C)c1cccc(c1)Br 16e8c0a6c3e5b71d13f0ca631fb446c1 [0,1,1,0,0,0|2,0,0]=4 1901 B13R1.18 COCOC(C)c1cccc(c1)C 55c23b88a457ca8c91d52656450b0c94 [0,1,1,0,0,0|2,0,0]=4 1902 B13R1.18 COCOC(C)c1cccc(c1)Cl ccd7bd8e6da9e777be287f03f3ff3bc9 [0,1,1,0,0,0|2,0,0]=4 1903 B13R1.18 COCOC(C)c1cccc(c1)F aea63037dab47dfa47dbdd9ec90f19a5 [0,1,1,0,0,0|2,0,0]=4 1904 B13R1.18 COCOC(C)c1cccc(c1)I ccb3aa82cdf6eeaedeab15a659fb1d3c [0,1,1,0,0,0|2,0,0]=4 1905 B13R1.18 COCO[C@@H](C)c1cccc(c1)Br c133be595be03328998ffd8b40352b79 [0,1,1,0,0,0|2,0,0]=4 1906 B13R1.18 COCO[C@@H](C)c1cccc(c1)C f3f0773c28a12315d64c8c2ec94c02f8 [0,1,1,0,0,0|2,0,0]=4 1907 B13R1.18 COCO[C@@H](C)c1cccc(c1)Cl d36eeeafa6c9758d9e00eaf420d0fac2 [0,1,1,0,0,0|2,0,0]=4 1908 B13R1.18 COCO[C@@H](C)c1cccc(c1)F d1ab3c9dff22afee70a3894099d78714 [0,1,1,0,0,0|2,0,0]=4 1909 B13R1.18 COCO[C@H](C)c1cccc(c1)Br df2baf6d9d96913b3b5e5136f7775a64 [0,1,1,0,0,0|2,0,0]=4 1910 B13R1.18 COCO[C@H](C)c1cccc(c1)C 602ee01f30489fff7aa9269851522258 [0,1,1,0,0,0|2,0,0]=4 1911 B13R1.18 COCO[C@H](C)c1cccc(c1)Cl 742c1ac15f3201e71f56c432e49d8053 [0,1,1,0,0,0|2,0,0]=4 1912 B13R1.18 COCO[C@H](C)c1cccc(c1)F 8838c7020be5aaddedde3eaa47b6cd80 [0,1,1,0,0,0|2,0,0]=4 1913 B13R1.18 CSCOC(C)c1cccc(c1)Br cddfe1b2fd98c500ff3c61d9a6d19d63 [0,1,1,0,0,0|2,0,0]=4 1914 B13R1.18 CSCOC(C)c1cccc(c1)C c021d4ab409afb432716cf2fe49fb5de [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.18 CSCOC(C)c1cccc(c1)Cl bc5b3f9003b18b389ce78258650d94b9 [0,1,1,0,0,0|2,0,0]=4 1916 B13R1.18 CSCOC(C)c1cccc(c1)F 0709fb4dec54e3a2f880617484565b5c [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.18 CSCOC(C)c1cccc(c1)I f6cfded9b083a45dc9b7263d5fe86c45 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.18 CSCO[C@@H](C)c1cccc(c1)Br 85d3034b35269d45ac24e084bc328f66 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.18 CSCO[C@@H](C)c1cccc(c1)C 203dc9593ab578fa75944435e7e403ea [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.18 CSCO[C@@H](C)c1cccc(c1)Cl e163e36b46c4b8907c9597da1baea132 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.18 CSCO[C@@H](C)c1cccc(c1)F 5eedc674a3a30380934cc7bef4d4658e [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.18 CSCO[C@H](C)c1cccc(c1)Br b203d9f261c3a8b8ad93cb83094291e3 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.18 CSCO[C@H](C)c1cccc(c1)C 3f959f5070bc170c271554e81e2f7777 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.18 CSCO[C@H](C)c1cccc(c1)Cl c65918b65a7bae350e0847d3af641cae [0,1,1,0,0,0|2,0,0]=4 1925 B13R1.18 CSCO[C@H](C)c1cccc(c1)F 4036e6df915eee1d388204563cd4ca29 [0,1,1,0,0,0|2,0,0]=4 1926 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Br dd757b11a4b55d5eb1c528a5f8d0afb2 [0,1,1,0,0,0|2,0,0]=4 1927 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl ef3be24f922611fa912246c693cd3743 [0,1,1,0,0,0|2,0,0]=4 1928 B13R1.18 C[C@@H](OCCF)c1cccc(c1)F 98bf3e4c9620d1e94e887e39f6e52201 [0,1,1,0,0,0|2,0,0]=4 1929 B13R1.18 C[C@@H](OCCS)c1cccc(c1)Br 373402008aa8d300fafd4be2d1c765e7 [0,1,1,0,0,0|2,0,0]=4 1930 B13R1.18 C[C@@H](OCCS)c1cccc(c1)Cl 8ac321e3c0c6fe8141b792505408c2d4 [0,1,1,0,0,0|2,0,0]=4 1931 B13R1.18 C[C@@H](OCCS)c1cccc(c1)F 63320aa709a471ca234ff696c0df235c [0,1,1,0,0,0|2,0,0]=4 1932 B13R1.18 C[C@H](OCCF)c1cccc(c1)Br bd0102e8419a36221900d78b2e0e7e15 [0,1,1,0,0,0|2,0,0]=4 1933 B13R1.18 C[C@H](OCCF)c1cccc(c1)Cl 530dfc5655e57787409f88b1e5d365c4 [0,1,1,0,0,0|2,0,0]=4 1934 B13R1.18 C[C@H](OCCF)c1cccc(c1)F 0300c8a917764dbb6bc94fbb80e8b02e [0,1,1,0,0,0|2,0,0]=4 1935 B13R1.18 C[C@H](OCCS)c1cccc(c1)Br 7db221f3ec8d29d1dca7ef484646a2ee [0,1,1,0,0,0|2,0,0]=4 1936 B13R1.18 C[C@H](OCCS)c1cccc(c1)Cl 282ed07714efe7ea18cad3d74a458a62 [0,1,1,0,0,0|2,0,0]=4 1937 B13R1.18 C[C@H](OCCS)c1cccc(c1)F 5796eda1543fb0716d2d323ff1ed6c6a [0,1,1,0,0,0|2,0,0]=4 1938 B13R1.18 Cc1cccc(c1)C(C)OCCF 01a46ddfab78ef49004fccf991c18e1b [0,1,1,0,0,0|2,0,0]=4 1939 B13R1.18 Cc1cccc(c1)C(C)OCCS 5823a456336d82c2c06117cf6385b8ac [0,1,1,0,0,0|2,0,0]=4 1940 B13R1.18 Cc1cccc(c1)[C@@H](C)OCCF b4f72940ff474791c5bdcecdf13ad80c [0,1,1,0,0,0|2,0,0]=4 1941 B13R1.18 Cc1cccc(c1)[C@@H](C)OCCS bc54826b89c5fa392c7eeab63b2a1e55 [0,1,1,0,0,0|2,0,0]=4 1942 B13R1.18 Cc1cccc(c1)[C@H](C)OCCF a9ed1a7f4ed30b4697f06d07070cd877 [0,1,1,0,0,0|2,0,0]=4 1943 B13R1.18 Cc1cccc(c1)[C@H](C)OCCS e011132191c03c4fb6e8fded4d651974 [0,1,1,0,0,0|2,0,0]=4 1944 B13R1.24 C#CCCOC(C)c1ccccc1 416223c28e59c25eda2986e24e10b6ec [0,1,1,0,0,0|1,0,1]=4 1945 B13R1.24 C#CCCO[C@@H](C)c1ccccc1 a1af27862d11871d9b1bc0fca465393c [0,1,1,0,0,0|1,0,1]=4 1946 B13R1.24 C#CCCO[C@H](C)c1ccccc1 f4a780bc5832b847b3c100fc7f363c27 [0,1,1,0,0,0|1,0,1]=4 1947 B13R1.24 C/C=C/COC(C)c1ccccc1 86eb34f7cf023b9943113b44160c2401 [0,1,1,0,0,0|1,0,1]=4 1948 B13R1.24 C/C=C/CO[C@@H](C)c1ccccc1 5b41186167d60f22b6e1df265521d768 [0,1,1,0,0,0|1,0,1]=4 1949 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 2bd22cd009cbeccfead3b28c0736ff14 [0,1,1,0,0,0|1,0,1]=4 1950 B13R1.24 C/C=C\COC(C)c1ccccc1 e8933c9e95690c28cfa341a626adbe3f [0,1,1,0,0,0|1,0,1]=4 1951 B13R1.24 C/C=C\CO[C@@H](C)c1ccccc1 b5c27f5341a874e011e52dcf3823c7e1 [0,1,1,0,0,0|1,0,1]=4 1952 B13R1.24 C/C=C\CO[C@H](C)c1ccccc1 5159de5295e739c1e3e6f8b4d9e846ed [0,1,1,0,0,0|1,0,1]=4 1953 B13R1.24 C=C(COCCC)c1ccccc1 f6317ef758d7b96aae38d82e773caa14 [0,1,1,0,0,0|1,0,1]=4 1954 B13R1.24 C=CCCOC(C)c1ccccc1 814d0d38fe0856ff53dad432d0eb29c0 [0,1,1,0,0,0|1,0,1]=4 1955 B13R1.24 C=CCCO[C@@H](C)c1ccccc1 f4fae576539ba60f90f2819c19375704 [0,1,1,0,0,0|1,0,1]=4 1956 B13R1.24 C=CCCO[C@H](C)c1ccccc1 e8ac1bcadd14bda57a7fd12422815d14 [0,1,1,0,0,0|1,0,1]=4 1957 B13R1.24 CC(COCCF)c1ccccc1 1ab6a9ce76fa1cad22f6bf56ebd4b522 [0,1,1,0,0,0|2,0,0]=4 1958 B13R1.24 CC(COCCS)c1ccccc1 1808903fda9d3732ab2bd3008964cbd2 [0,1,1,0,0,0|2,0,0]=4 1959 B13R1.24 CC(NCCCF)c1ccccc1 707b70202f4f1ba3be1fdfcd2fa2e408 [0,1,1,0,0,0|2,0,0]=4 1960 B13R1.24 CC(NCCCS)c1ccccc1 02945c5dc66ab962443151909d7d4e83 [0,1,1,0,0,0|2,0,0]=4 1961 B13R1.24 CC(OCCC#N)c1ccccc1 49d1e33c954f44468df47b2ced5c540b [0,1,1,0,0,0|1,0,1]=4 1962 B13R1.24 CC(OCCC=O)c1ccccc1 42aa8e1eee461db3b6cd142851f20307 [0,1,1,0,0,0|1,0,1]=4 1963 B13R1.24 CC(OCCCF)c1ccccc1 da6636e75ac33040de8989875fad3e1e [0,1,1,0,0,0|1,0,0]=3 1964 B13R1.24 CC(OCCCF)c1ccccn1 abde4a2ec164c87d22469903e6a03606 [0,1,1,0,0,0|2,0,0]=4 1965 B13R1.24 CC(OCCCF)c1cccnc1 c2a12c1840abedaa37abb79acdf8c27f [0,1,1,0,0,0|2,0,0]=4 1966 B13R1.24 CC(OCCCF)c1ccncc1 648ff3c65bc31cd127dbd00d836f9817 [0,1,1,0,0,0|2,0,0]=4 1967 B13R1.24 CC(OCCCS)c1ccccc1 73d023d8f78e1d608d7c4c459a4426b8 [0,1,1,0,0,0|1,0,0]=3 1968 B13R1.24 CC(OCCCS)c1ccccn1 930b74ff36abc49aaf80b0f3785dac25 [0,1,1,0,0,0|2,0,0]=4 1969 B13R1.24 CC(OCCCS)c1cccnc1 44fd631473037f2b6aff6172380daa6f [0,1,1,0,0,0|2,0,0]=4 1970 B13R1.24 CC(OCCCS)c1ccncc1 eb18a33d76914434697dd0fd6ec72547 [0,1,1,0,0,0|2,0,0]=4 1971 B13R1.24 CCCCNC(C)c1ccccc1 ba9da65c92ba7fc468e0c4b78ba99ccc [0,1,1,0,0,0|2,0,0]=4 1972 B13R1.24 CCCCN[C@@H](C)c1ccccc1 57b5e3ebff75ef31a64a222a6226a276 [0,1,1,0,0,0|2,0,0]=4 1973 B13R1.24 CCCCN[C@H](C)c1ccccc1 24dfb549a40c55400336ed3b2bc45c90 [0,1,1,0,0,0|2,0,0]=4 1974 B13R1.24 CCCCOC(C)c1ccccc1 116618646832f472e55dfbe2113618bc [0,1,1,0,0,0|1,0,0]=3 1975 B13R1.24 CCCCOC(C)c1ccccn1 d8d8b1fdb7e1679deff0be9f2bd1add7 [0,1,1,0,0,0|2,0,0]=4 1976 B13R1.24 CCCCOC(C)c1cccnc1 d8d90c22c3ac47c5d360edf0db3a22b7 [0,1,1,0,0,0|2,0,0]=4 1977 B13R1.24 CCCCOC(C)c1ccncc1 af66dccbcb79f0de6dd1cbff2bc9aad3 [0,1,1,0,0,0|2,0,0]=4 1978 B13R1.24 CCCCO[C@@H](C)c1ccccc1 93a610cc42c8d64b3ebf86e26c026ac9 [0,1,1,0,0,0|1,0,0]=3 1979 B13R1.24 CCCCO[C@@H](C)c1ccccn1 106781f495bc53bb4686d7b599400a73 [0,1,1,0,0,0|2,0,0]=4 1980 B13R1.24 CCCCO[C@@H](C)c1cccnc1 c5babf5ce2d39050f077b08eebdf6564 [0,1,1,0,0,0|2,0,0]=4 1981 B13R1.24 CCCCO[C@@H](C)c1ccncc1 60f517e41e44a93a4ad6cb2cf0c3e50e [0,1,1,0,0,0|2,0,0]=4 1982 B13R1.24 CCCCO[C@H](C)c1ccccc1 11ad6d63bfec5cb3281b9eb95b5e04f0 [0,1,1,0,0,0|1,0,0]=3 1983 B13R1.24 CCCCO[C@H](C)c1ccccn1 f68f52c8b361bf4c92ec03a37fb11380 [0,1,1,0,0,0|2,0,0]=4 1984 B13R1.24 CCCCO[C@H](C)c1cccnc1 4b0959b6d4020e1c900887a52003f1b4 [0,1,1,0,0,0|2,0,0]=4 1985 B13R1.24 CCCCO[C@H](C)c1ccncc1 fb806943dc0c52c04200eff617e0bc47 [0,1,1,0,0,0|2,0,0]=4 1986 B13R1.24 CCCNCC(C)c1ccccc1 5b9cbaa046214e464daaab40bbcd3312 [0,1,1,0,0,0|2,0,0]=4 1987 B13R1.24 CCCNCC(F)c1ccccc1 449b2015434bbd5b2836355939132d1a [0,1,1,0,0,0|2,0,0]=4 1988 B13R1.24 CCCNCC(O)c1ccccc1 d38eaae1b19c710adc21500685b8cd9a [0,1,1,0,0,0|1,0,0]=3 1989 B13R1.24 CCCNCC(O)c1ccccn1 19ce185a02a8a1325d6c69f94c6b75db [0,1,1,0,0,0|2,0,0]=4 1990 B13R1.24 CCCNCC(O)c1cccnc1 ae0ac118e936f7cb2d5ebc8e1d7b2bec [0,1,1,0,0,0|2,0,0]=4 1991 B13R1.24 CCCNCC(O)c1ccncc1 77561eb712726d224e80da4ffd36fa24 [0,1,1,0,0,0|2,0,0]=4 1992 B13R1.24 CCCNC[C@@H](C)c1ccccc1 2308071747b02f56b924597b3ca017fa [0,1,1,0,0,0|2,0,0]=4 1993 B13R1.24 CCCNC[C@@H](O)c1ccccc1 ba1c94e938904bb5f8f256428bfd49c0 [0,1,1,0,0,0|1,0,0]=3 1994 B13R1.24 CCCNC[C@H](C)c1ccccc1 a93645e2df2d6a08f03c1dad967aea05 [0,1,1,0,0,0|2,0,0]=4 1995 B13R1.24 CCCNC[C@H](O)c1ccccc1 100bd33b1479296525e93adedc4476d6 [0,1,1,0,0,0|1,0,0]=3 1996 B13R1.24 CCCOCC(=O)c1ccccc1 fafbf9582888297afc92283765371327 [0,1,1,0,0,0|0,0,2]=4 1997 B13R1.24 CCCOCC(C)c1ccccc1 e679fb9dffb2d4c68eea61790de794fe [0,1,1,0,0,0|1,0,0]=3 1998 B13R1.24 CCCOCC(C)c1ccccn1 d456deae7ee7987a382d758efb120969 [0,1,1,0,0,0|2,0,0]=4 1999 B13R1.24 CCCOC[C@@H](C)c1ccccc1 8177c97a0f970e08f4bd9fbe91982acc [0,1,1,0,0,0|1,0,0]=3 2000 B13R1.24 CCCOC[C@H](C)c1ccccc1 5d43a358407c1950ccdd8a99e845d676 [0,1,1,0,0,0|1,0,0]=3 2001 B13R1.24 CCNCCC(C)c1ccccc1 ed81c2bb78ca6182229e1ff90805d458 [0,1,1,0,0,0|2,0,0]=4 2002 B13R1.24 CCNCCC(O)c1ccccc1 999492f51f98f44134773ecaec349081 [0,1,1,0,0,0|1,0,0]=3 2003 B13R1.24 CCNCCC(O)c1cccnc1 2cca1f060ce30db7229b77502867d80b [0,1,1,0,0,0|2,0,0]=4 2004 B13R1.24 CCNCC[C@@H](O)c1ccccc1 eea91830cc140499ddf8fc516d41f951 [0,1,1,0,0,0|1,0,0]=3 2005 B13R1.24 CCNCC[C@H](O)c1ccccc1 2589a73e054dbd92a4efc9e5ec82be1a [0,1,1,0,0,0|1,0,0]=3 2006 B13R1.24 CCOCCC(C)c1ccccc1 b507e430268e133923b92502bce58be6 [0,1,1,0,0,0|2,0,0]=4 2007 B13R1.24 CCOCNC(C)c1ccccc1 43e854261718f26338edd1c9cfe9440f [0,1,1,0,0,0|2,0,0]=4 2008 B13R1.24 CCOCN[C@@H](C)c1ccccc1 d8445fce5d6253e8f5271c53876afd8e [0,1,1,0,0,0|2,0,0]=4 2009 B13R1.24 CCOCN[C@H](C)c1ccccc1 b7dc7113b2b5bcd070a69ab867786a69 [0,1,1,0,0,0|2,0,0]=4 2010 B13R1.24 CCOCOC(C)c1ccncc1 67d013bbb573f59092fab190daa38958 [0,1,1,0,0,0|2,0,0]=4 2011 B13R1.24 CCOCO[C@@H](C)c1ccncc1 2a199943a5f8be36116f767c750729d5 [0,1,1,0,0,0|2,0,0]=4 2012 B13R1.24 CCOCO[C@H](C)c1ccncc1 f1cf00b6959e2ef4f71be4bec73d705c [0,1,1,0,0,0|2,0,0]=4 2013 B13R1.24 COCCNC(C)c1ccccc1 c2cdf9a7d68c2b14dbc1f47818328785 [0,1,1,0,0,0|2,0,0]=4 2014 B13R1.24 COCCN[C@@H](C)c1ccccc1 3d6e84133668a2c88f91040a51faba59 [0,1,1,0,0,0|2,0,0]=4 2015 B13R1.24 COCCN[C@H](C)c1ccccc1 070b4ca2a1a16c22225dae328c415de7 [0,1,1,0,0,0|2,0,0]=4 2016 B13R1.24 COCCOC(C)c1ccccc1 4eda4eb3d7f458c7b1efd0302710d954 [0,1,1,0,0,0|1,0,0]=3 2017 B13R1.24 COCCOC(C)c1ccccn1 fe3e606a6befde9299ade7792122176f [0,1,1,0,0,0|2,0,0]=4 2018 B13R1.24 COCCOC(C)c1cccnc1 e93fede31c4f639f34b010532dea987d [0,1,1,0,0,0|2,0,0]=4 2019 B13R1.24 COCCOC(C)c1ccncc1 a8b42108f03d2e82791271f75fc69607 [0,1,1,0,0,0|2,0,0]=4 2020 B13R1.24 COCCO[C@@H](C)c1ccccc1 c4708c03f597f180562f17c23f61a0f0 [0,1,1,0,0,0|1,0,0]=3 2021 B13R1.24 COCCO[C@@H](C)c1ccccn1 417864c41f496f2b73bc3a620c435875 [0,1,1,0,0,0|2,0,0]=4 2022 B13R1.24 COCCO[C@@H](C)c1cccnc1 85eac17e503a96af4812212f99e637c7 [0,1,1,0,0,0|2,0,0]=4 2023 B13R1.24 COCCO[C@@H](C)c1ccncc1 5726676c009ba83f52214f3452e3f8fb [0,1,1,0,0,0|2,0,0]=4 2024 B13R1.24 COCCO[C@H](C)c1ccccc1 dc187aa1e60f01c074c0643788e8e1ed [0,1,1,0,0,0|1,0,0]=3 2025 B13R1.24 COCCO[C@H](C)c1ccccn1 10f781b6ba68b87d15e9f423515f4ed1 [0,1,1,0,0,0|2,0,0]=4 2026 B13R1.24 COCCO[C@H](C)c1cccnc1 bcd9d2134c061eede7dd1437bbf64dec [0,1,1,0,0,0|2,0,0]=4 2027 B13R1.24 COCCO[C@H](C)c1ccncc1 2db05eded2f629fe941c8818222fe8dd [0,1,1,0,0,0|2,0,0]=4 2028 B13R1.24 COCNCC(O)c1ccccc1 065ed39397a57935c54004af38914e1d [0,1,1,0,0,0|2,0,0]=4 2029 B13R1.24 COCNC[C@@H](O)c1ccccc1 99f245690db50bc87571291f7a525272 [0,1,1,0,0,0|2,0,0]=4 2030 B13R1.24 COCNC[C@H](O)c1ccccc1 f07ee66c3ed1bc3a22b8d380d72f19ab [0,1,1,0,0,0|2,0,0]=4 2031 B13R1.24 COCOCC(C)c1ccccc1 b89f330fdbdc63ded1d3a8e48f1cbf65 [0,1,1,0,0,0|2,0,0]=4 2032 B13R1.24 COCOCC(F)c1ccccc1 e92835afffb5bb59ac2f640e4fa48f68 [0,1,1,0,0,0|2,0,0]=4 2033 B13R1.24 COCOC[C@@H](C)c1ccccc1 97c6c6d972d0281fe50c3b5bd45d4f4f [0,1,1,0,0,0|2,0,0]=4 2034 B13R1.24 COCOC[C@H](C)c1ccccc1 5223a540f9e7b2df0773863ef787a5b3 [0,1,1,0,0,0|2,0,0]=4 2035 B13R1.24 CSCCNC(C)c1ccccc1 cb2710bbb1863e422cacbcdfa29043b3 [0,1,1,0,0,0|2,0,0]=4 2036 B13R1.24 CSCCN[C@@H](C)c1ccccc1 e1d4d63ca98297e3a741380b222379e5 [0,1,1,0,0,0|2,0,0]=4 2037 B13R1.24 CSCCN[C@H](C)c1ccccc1 e79e5bfe51901f7fde96679e7cad33c7 [0,1,1,0,0,0|2,0,0]=4 2038 B13R1.24 CSCCOC(C)c1ccccc1 6e6c64ccd8ec19b44304bbd6ee665b03 [0,1,1,0,0,0|1,0,0]=3 2039 B13R1.24 CSCCOC(C)c1ccccn1 11287f48f8f73b8962000d0f8cf0f85a [0,1,1,0,0,0|2,0,0]=4 2040 B13R1.24 CSCCOC(C)c1cccnc1 0adc80fdcd57beaeeb818275d0cf7c19 [0,1,1,0,0,0|2,0,0]=4 2041 B13R1.24 CSCCOC(C)c1ccncc1 39bacfc7afc4da2a55b3b269b6487bc4 [0,1,1,0,0,0|2,0,0]=4 2042 B13R1.24 CSCCO[C@@H](C)c1ccccc1 e19c25ae9a5b36339342948c99b13ae5 [0,1,1,0,0,0|1,0,0]=3 2043 B13R1.24 CSCCO[C@@H](C)c1ccccn1 94448e3d365603dabccf356746f6b2af [0,1,1,0,0,0|2,0,0]=4 2044 B13R1.24 CSCCO[C@@H](C)c1cccnc1 3a47dca3458d91e2fe2bd7791af7fff9 [0,1,1,0,0,0|2,0,0]=4 2045 B13R1.24 CSCCO[C@@H](C)c1ccncc1 1b2dac975f17cc58cc6927ed61736ef7 [0,1,1,0,0,0|2,0,0]=4 2046 B13R1.24 CSCCO[C@H](C)c1ccccc1 e2b65e08fdc1fe59baafd7046d39c4fe [0,1,1,0,0,0|1,0,0]=3 2047 B13R1.24 CSCCO[C@H](C)c1ccccn1 aa75f45c45b2bda0e0c44f44ef59e643 [0,1,1,0,0,0|2,0,0]=4 2048 B13R1.24 CSCCO[C@H](C)c1cccnc1 2dc8cd754b1a702067476e6f7c72ecda [0,1,1,0,0,0|2,0,0]=4 2049 B13R1.24 CSCCO[C@H](C)c1ccncc1 d37e4fa7a75d669f10c3f42d5cf06368 [0,1,1,0,0,0|2,0,0]=4 2050 B13R1.24 CSCNCC(O)c1ccccc1 510d27c64a6763f59907d1415781445d [0,1,1,0,0,0|2,0,0]=4 2051 B13R1.24 CSCNC[C@@H](O)c1ccccc1 846e48584412a12fbb2838d0dab12dc8 [0,1,1,0,0,0|2,0,0]=4 2052 B13R1.24 CSCNC[C@H](O)c1ccccc1 610ded1cda0391fbd3f816ce595d11db [0,1,1,0,0,0|2,0,0]=4 2053 B13R1.24 CSCOCC(C)c1ccccc1 759be960294ea2ad3e1e233b92abf2b0 [0,1,1,0,0,0|2,0,0]=4 2054 B13R1.24 CSCOC[C@@H](C)c1ccccc1 38c84389657e8fa2bd056ac05830df0d [0,1,1,0,0,0|2,0,0]=4 2055 B13R1.24 CSCOC[C@H](C)c1ccccc1 e0f68a34045a419aa415aa6e1684f0f3 [0,1,1,0,0,0|2,0,0]=4 2056 B13R1.24 C[C@@H](COCCF)c1ccccc1 a49d81364485c0b294bc87d646fe9316 [0,1,1,0,0,0|2,0,0]=4 2057 B13R1.24 C[C@@H](COCCS)c1ccccc1 22329a7e54796f077ab8eacc889089b0 [0,1,1,0,0,0|2,0,0]=4 2058 B13R1.24 C[C@@H](NCCCF)c1ccccc1 bfa543be3f68166fe2f57a5689bb07e6 [0,1,1,0,0,0|2,0,0]=4 2059 B13R1.24 C[C@@H](NCCCS)c1ccccc1 0116293cdbc170d5d0b056ff05b140c5 [0,1,1,0,0,0|2,0,0]=4 2060 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 216c04c4bba48c5f65a4de132eb0fb2c [0,1,1,0,0,0|1,0,1]=4 2061 B13R1.24 C[C@@H](OCCC=O)c1ccccc1 628d5109a4f063acb2a5ee9afc7283f3 [0,1,1,0,0,0|1,0,1]=4 2062 B13R1.24 C[C@@H](OCCCF)c1ccccc1 3b543601bb26cccb69be38b500af6085 [0,1,1,0,0,0|1,0,0]=3 2063 B13R1.24 C[C@@H](OCCCF)c1ccccn1 b7e512babf3da018d24b856ad321a86e [0,1,1,0,0,0|2,0,0]=4 2064 B13R1.24 C[C@@H](OCCCF)c1cccnc1 834a2987c3fab51ead51d8c2ee9a5ea6 [0,1,1,0,0,0|2,0,0]=4 2065 B13R1.24 C[C@@H](OCCCF)c1ccncc1 2479572fb2b89e0a5ee5b317ecb40e31 [0,1,1,0,0,0|2,0,0]=4 2066 B13R1.24 C[C@@H](OCCCS)c1ccccc1 ae96e9b0fd3eff44194d70b9add97b2f [0,1,1,0,0,0|1,0,0]=3 2067 B13R1.24 C[C@@H](OCCCS)c1ccccn1 bef32a5d9c2c115834993af2e438fea7 [0,1,1,0,0,0|2,0,0]=4 2068 B13R1.24 C[C@@H](OCCCS)c1cccnc1 cb53b6c1eecd835699e09f16cec08022 [0,1,1,0,0,0|2,0,0]=4 2069 B13R1.24 C[C@@H](OCCCS)c1ccncc1 7a5d7bc905c222f28ae31ea4ad917836 [0,1,1,0,0,0|2,0,0]=4 2070 B13R1.24 C[C@H](COCCF)c1ccccc1 ee713de5248c1ec3caa3d86a122a571c [0,1,1,0,0,0|2,0,0]=4 2071 B13R1.24 C[C@H](COCCS)c1ccccc1 4729a21e047873a2308c5c19507aaf05 [0,1,1,0,0,0|2,0,0]=4 2072 B13R1.24 C[C@H](NCCCF)c1ccccc1 2c3c38f14ff8256234e4e10570b90490 [0,1,1,0,0,0|2,0,0]=4 2073 B13R1.24 C[C@H](NCCCS)c1ccccc1 b2a62d10fe03e141185275af72c2be8f [0,1,1,0,0,0|2,0,0]=4 2074 B13R1.24 C[C@H](OCCC#N)c1ccccc1 ec34857642511a0e2c0bb0d429e22900 [0,1,1,0,0,0|1,0,1]=4 2075 B13R1.24 C[C@H](OCCC=O)c1ccccc1 83a2fd5bb1e77fe3af18df482e7c4725 [0,1,1,0,0,0|1,0,1]=4 2076 B13R1.24 C[C@H](OCCCF)c1ccccc1 59e3eb993feab5d5c53b054ac83e6316 [0,1,1,0,0,0|1,0,0]=3 2077 B13R1.24 C[C@H](OCCCF)c1ccccn1 47aaa2ff36feca3095901c44dc1489b5 [0,1,1,0,0,0|2,0,0]=4 2078 B13R1.24 C[C@H](OCCCF)c1cccnc1 e77e3f6d66226a4ae8061807182b3b25 [0,1,1,0,0,0|2,0,0]=4 2079 B13R1.24 C[C@H](OCCCF)c1ccncc1 1f2c67bb76989c23a6ff56f7cd4b59a6 [0,1,1,0,0,0|2,0,0]=4 2080 B13R1.24 C[C@H](OCCCS)c1ccccc1 d75904c4401b78653bc0213f295ecc4d [0,1,1,0,0,0|1,0,0]=3 2081 B13R1.24 C[C@H](OCCCS)c1ccccn1 c258a6b7448b15e1bcd25c465aeafec3 [0,1,1,0,0,0|2,0,0]=4 2082 B13R1.24 C[C@H](OCCCS)c1cccnc1 54d436e030cf46ecf130ffad6196b428 [0,1,1,0,0,0|2,0,0]=4 2083 B13R1.24 C[C@H](OCCCS)c1ccncc1 04c8d1df9a917c87c5c93139ec93f1d7 [0,1,1,0,0,0|2,0,0]=4 2084 B13R1.24 FC(COCCS)c1ccccc1 5e067201f3480fcba5635d49e9bf1bc3 [0,1,1,0,0,0|2,0,0]=4 2085 B13R1.24 FCCOCC(F)c1ccccc1 414189d0e8637eccd93c638f64641f00 [0,1,1,0,0,0|2,0,0]=4 2086 B13R1.24 OC(CCNCF)c1ccccc1 a9cd192c8b295cca0aced9b1fbb626a5 [0,1,1,0,0,0|2,0,0]=4 2087 B13R1.24 OC(CNCCBr)c1ccccc1 896601dbc217c1c45c8f685191b44a7f [0,1,1,0,0,0|2,0,0]=4 2088 B13R1.24 OC(CNCCF)c1ccccc1 31a6285c54121b191791d804c462964b [0,1,1,0,0,0|2,0,0]=4 2089 B13R1.24 OC(CNCCI)c1ccccc1 09fc842e23ff6591276d0bf34e258b9a [0,1,1,0,0,0|2,0,0]=4 2090 B13R1.24 OC(CNCCS)c1ccccc1 b1791679d5e010ccd60596c52ed24116 [0,1,1,0,0,0|2,0,0]=4 2091 B13R1.24 OCCNCC(O)c1ccccc1 acf4a9260f4ea573a1af24dca8fdcfb9 [0,1,1,0,0,0|2,0,0]=4 2092 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2db31fd01bec3e4b9cd289e5820eab50 [0,1,1,0,0,0|2,0,0]=4 2093 B13R1.24 OCCNC[C@H](O)c1ccccc1 e4e021aba2fa7e6ada44e3621e0c2a23 [0,1,1,0,0,0|2,0,0]=4 2094 B13R1.24 OCNCCC(O)c1ccccc1 4ee45296d60f4d0bf5cad0061fc06381 [0,1,1,0,0,0|2,0,0]=4 2095 B13R1.24 OCNCC[C@@H](O)c1ccccc1 3a782370b23e7457c065c9fd6b4d51fe [0,1,1,0,0,0|2,0,0]=4 2096 B13R1.24 OCNCC[C@H](O)c1ccccc1 ca2c26a32a78f6014b8840a23956c5eb [0,1,1,0,0,0|2,0,0]=4 2097 B13R1.24 O[C@@H](CCNCF)c1ccccc1 4fe435f519d1494c989b79f1b64c7f3d [0,1,1,0,0,0|2,0,0]=4 2098 B13R1.24 O[C@@H](CNCCF)c1ccccc1 694f7c9308bd34297b9ff90f9cec952b [0,1,1,0,0,0|2,0,0]=4 2099 B13R1.24 O[C@@H](CNCCS)c1ccccc1 d6a7f9c6e6a3d1be1b02cb86b9baad2d [0,1,1,0,0,0|2,0,0]=4 2100 B13R1.24 O[C@H](CCNCF)c1ccccc1 26a23d902f4d317deecaf6735dfed3a7 [0,1,1,0,0,0|2,0,0]=4 2101 B13R1.24 O[C@H](CNCCF)c1ccccc1 774bdce8e92b2e0c9ab91c9c2c882957 [0,1,1,0,0,0|2,0,0]=4 2102 B13R1.24 O[C@H](CNCCS)c1ccccc1 4e112c01042cd269c0529c1eaad18a78 [0,1,1,0,0,0|2,0,0]=4 2103 B13R1.45 C=C(C)COC(C)c1ccccc1 e61df747fd27049a942457d909826b12 [0,1,1,0,0,0|1,0,1]=4 2104 B13R1.45 C=C(C)CO[C@@H](C)c1ccccc1 c178b66be30696ed9c05998b7e583b0e [0,1,1,0,0,0|1,0,1]=4 2105 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 f3097012c4c792591409151b78a238bc [0,1,1,0,0,0|1,0,1]=4 2106 B13R1.45 CC(C)CNC(C)c1ccccc1 1a8ed7a47c47c28fcbae58c50dcc8cfb [0,1,1,0,0,0|2,0,0]=4 2107 B13R1.45 CC(C)CN[C@@H](C)c1ccccc1 0e1d1975e0dee5224fe5ca3cbd45c906 [0,1,1,0,0,0|2,0,0]=4 2108 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 3b8e4ab918a68755a3dd66398362cf93 [0,1,1,0,0,0|2,0,0]=4 2109 B13R1.45 CC(C)COC(C)c1ccccc1 a431719ff60ac10602452d9f6000ed98 [0,1,1,0,0,0|1,0,0]=3 2110 B13R1.45 CC(C)COC(C)c1ccccn1 59003c839906b252274a4700c77accc0 [0,1,1,0,0,0|2,0,0]=4 2111 B13R1.45 CC(C)COC(C)c1cccnc1 a29621c54734459d3b39dba51f07dd91 [0,1,1,0,0,0|2,0,0]=4 2112 B13R1.45 CC(C)COC(C)c1ccncc1 ec5f66b9d8429b257df94222a9a0d6a6 [0,1,1,0,0,0|2,0,0]=4 2113 B13R1.45 CC(C)CO[C@@H](C)c1ccccc1 c918fde3f01335c4594a3cdd44a5c245 [0,1,1,0,0,0|1,0,0]=3 2114 B13R1.45 CC(C)CO[C@@H](C)c1ccccn1 22586d40f699e7b28a0e9b933e901462 [0,1,1,0,0,0|2,0,0]=4 2115 B13R1.45 CC(C)CO[C@@H](C)c1cccnc1 f07ffbe593cf23596fa77353db40d331 [0,1,1,0,0,0|2,0,0]=4 2116 B13R1.45 CC(C)CO[C@@H](C)c1ccncc1 3ac4d63178151dc4189e06ada3fc3aaa [0,1,1,0,0,0|2,0,0]=4 2117 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 76f93aeb672136c41969299f8af62234 [0,1,1,0,0,0|1,0,0]=3 2118 B13R1.45 CC(C)CO[C@H](C)c1ccccn1 8565820cc34943603f10b017d1e738f0 [0,1,1,0,0,0|2,0,0]=4 2119 B13R1.45 CC(C)CO[C@H](C)c1cccnc1 11d5f66dad6297b6dd5f773a7655bc0f [0,1,1,0,0,0|2,0,0]=4 2120 B13R1.45 CC(C)CO[C@H](C)c1ccncc1 4f2ddbaee10978c7ec6a82ffc7bbc5bd [0,1,1,0,0,0|2,0,0]=4 2121 B13R1.45 CC(NC[C@H](C)O)c1ccccc1 654fe78be9da3356fceacec64527fef5 [0,1,1,0,0,0|2,0,0]=4 2122 B13R1.45 CC(O)CNC(C)c1ccccc1 d9f0bebfc19dc692825c4559fb9aaa87 [0,1,1,0,0,0|2,0,0]=4 2123 B13R1.45 CC(O)CN[C@@H](C)c1ccccc1 d44e88f4801ca53bc9b4acefbb4d6214 [0,1,1,0,0,0|2,0,0]=4 2124 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 7ddf90be408fb1d3293ac51ba0725863 [0,1,1,0,0,0|2,0,0]=4 2125 B13R1.45 CC(OCC(F)F)c1ccccc1 eebaccaa0861319c7b78eaf7a7fc6487 [0,1,1,0,0,0|2,0,0]=4 2126 B13R1.45 CC(OCN(C)C)c1ccccc1 967a1047250afa34ddf4922969031615 [0,1,1,0,0,0|2,0,0]=4 2127 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 9d39fc1a4a66e4a94cea9780f10fccd6 [0,1,1,0,0,0|2,0,0]=4 2128 B13R1.45 C[C@@H](OCN(C)C)c1ccccc1 e22c97ac4e40be1f36d36e9869941526 [0,1,1,0,0,0|2,0,0]=4 2129 B13R1.45 C[C@H](O)CN[C@@H](C)c1ccccc1 8fabeb4c3dfe1b581cc19234d70d27b9 [0,1,1,0,0,0|2,0,0]=4 2130 B13R1.45 C[C@H](O)CN[C@H](C)c1ccccc1 ef252d9e63a8f57f8c20b7f73c95cbf4 [0,1,1,0,0,0|2,0,0]=4 2131 B13R1.45 C[C@H](OCC(F)F)c1ccccc1 617a17fb9ad917e5627b15283ed406c1 [0,1,1,0,0,0|2,0,0]=4 2132 B13R1.45 C[C@H](OCN(C)C)c1ccccc1 c55a44ee789df974ce1f33d66c89e4f2 [0,1,1,0,0,0|2,0,0]=4 2133 B13R1.122 CC(C)(OCCF)c1ccccc1 b3dc9732fc84603ba37a7eadda1761de [0,1,1,0,0,0|2,0,0]=4 2134 B13R1.122 CC(C)(OCCS)c1ccccc1 e434004adec6ef707cf8edc88d0d2fa3 [0,1,1,0,0,0|2,0,0]=4 2135 B13R1.122 CCCNC(C)(C)c1ccccc1 a6c4aeaec8f5bd90fdbaf4b075ca449b [0,1,1,0,0,0|2,0,0]=4 2136 B13R1.122 CCCOC(C)(C)c1ccccc1 c000b7a92c399df823ae951993caedab [0,1,1,0,0,0|1,0,0]=3 2137 B13R1.122 CCCOC(C)(C)c1ccccn1 8d040de4e857c415500edad50078267f [0,1,1,0,0,0|2,0,0]=4 2138 B13R1.122 CCCOC(C)(C)c1cccnc1 5c31d0b4bfb325842bbe2a686b933b12 [0,1,1,0,0,0|2,0,0]=4 2139 B13R1.122 CCCOC(C)(C)c1ccncc1 d86e842dafaef0d29e30a1bd9ca30a7f [0,1,1,0,0,0|2,0,0]=4 2140 B13R1.122 CCNCC(C)(O)c1ccccc1 5e995bce1c7ec0c94cd070bbf2e41d21 [0,1,1,0,0,0|2,0,0]=4 2141 B13R1.122 CSCOC(C)(C)c1ccccc1 e0fa1de9036e7c148a87da4b52cf7dfa [0,1,1,0,0,0|2,0,0]=4 2142 B13R1.674 CC(OCCF)c1ccccc1Cl 66c35ba08f836c36931e034c6441b440 [0,1,1,0,0,0|2,0,0]=4 2143 B13R1.674 CC(OCCS)c1ccccc1Cl 2956c5f5b20dea17c0865ff94e90825a [0,1,1,0,0,0|2,0,0]=4 2144 B13R1.674 CC(OCCS)c1ccccc1F 1b0efc3797b59b8380cd0ab56762963c [0,1,1,0,0,0|2,0,0]=4 2145 B13R1.674 CC(OCCS)c1ccccc1I b5d8a96ae4bb19c2c06361962b337d8a [0,1,1,0,0,0|2,0,0]=4 2146 B13R1.674 CCCNC(C)c1ccccc1C 33be9baf117983aef9d9f283b2bb65aa [0,1,1,0,0,0|2,0,0]=4 2147 B13R1.674 CCCNC(C)c1ccccc1Cl 51b6e2e4caa050a3f4af22c4aad8ad4a [0,1,1,0,0,0|2,0,0]=4 2148 B13R1.674 CCCNC(C)c1ccccc1F ad53cf6edc8574870385edeac0402c5e [0,1,1,0,0,0|2,0,0]=4 2149 B13R1.674 CCCNC(C)c1ccccc1I 1942c3f92993619e019c7dd7bf2bf557 [0,1,1,0,0,0|2,0,0]=4 2150 B13R1.674 CCCN[C@@H](C)c1ccccc1C 184cf262c2301a24c6a3d69fc55e5c71 [0,1,1,0,0,0|2,0,0]=4 2151 B13R1.674 CCCN[C@@H](C)c1ccccc1Cl cad4ff3f88b940d37ffeee0312024b32 [0,1,1,0,0,0|2,0,0]=4 2152 B13R1.674 CCCN[C@@H](C)c1ccccc1F d5fcc311568293252d00994f58c55de1 [0,1,1,0,0,0|2,0,0]=4 2153 B13R1.674 CCCN[C@H](C)c1ccccc1C 2d23bebb7c69be8a0d8a7d0b929d7702 [0,1,1,0,0,0|2,0,0]=4 2154 B13R1.674 CCCN[C@H](C)c1ccccc1Cl 0695c242817c943daba46f61739d2508 [0,1,1,0,0,0|2,0,0]=4 2155 B13R1.674 CCCN[C@H](C)c1ccccc1F d3f7e3e705fcf6266099722d18706cbe [0,1,1,0,0,0|2,0,0]=4 2156 B13R1.674 CCCOC(C)c1ccccc1Cl ac031fed57db5710a77b7c003bedf8df [0,1,1,0,0,0|1,0,0]=3 2157 B13R1.674 CCCOC(C)c1cccnc1Br 385c823d2d6f6555b09667c44c49cb57 [0,1,1,0,0,0|2,0,0]=4 2158 B13R1.674 CCCOC(C)c1cccnc1C 50cf97b29a2c3c84b6663c0b66d5abd6 [0,1,1,0,0,0|2,0,0]=4 2159 B13R1.674 CCCOC(C)c1cccnc1Cl df9e278edc649a00142f031567941665 [0,1,1,0,0,0|2,0,0]=4 2160 B13R1.674 CCCOC(C)c1ccncc1Cl 798e5bdfb7f01d98781bc3b775277870 [0,1,1,0,0,0|2,0,0]=4 2161 B13R1.674 CCCOC(C)c1ncccc1C c4b94fb2fee2273234b849d015a3208d [0,1,1,0,0,0|2,0,0]=4 2162 B13R1.674 CCCOC(C)c1ncccc1Cl 41e16e9bee4779c3ba6d98ec662142fe [0,1,1,0,0,0|2,0,0]=4 2163 B13R1.674 CCCOC(C)c1ncccc1F e70fd30933f3fbbbc7593f8412af0aef [0,1,1,0,0,0|2,0,0]=4 2164 B13R1.674 CCCO[C@@H](C)c1ccccc1Cl 5ef0ff26e3abb9fd84923805fbb57fd0 [0,1,1,0,0,0|1,0,0]=3 2165 B13R1.674 CCCO[C@H](C)c1ccccc1Cl 793412c1363e0e98eea4d3c00742ae78 [0,1,1,0,0,0|1,0,0]=3 2166 B13R1.674 CCCO[C@H](C)c1cccnc1Cl 1597007040f0be9925f43faff738f414 [0,1,1,0,0,0|2,0,0]=4 2167 B13R1.674 CCCO[C@H](C)c1ncccc1C 8fc37a185ebed020831f444ad3eb0bcd [0,1,1,0,0,0|2,0,0]=4 2168 B13R1.674 CCCO[C@H](C)c1ncccc1F 4871f623e8f696b310c53677540f6ce3 [0,1,1,0,0,0|2,0,0]=4 2169 B13R1.674 CCNCC(O)c1ccccc1Cl f60d7bfbb2abb910194de4c0f8885531 [0,1,1,0,0,0|2,0,0]=4 2170 B13R1.674 CSCOC(C)c1ccccc1Cl 28b18320939dd005e72abfcf3580da06 [0,1,1,0,0,0|2,0,0]=4 2171 B13R1.674 CSCOC(C)c1ccccc1F d99c68267484af223b7cd9c2af54fd64 [0,1,1,0,0,0|2,0,0]=4 2172 B13R1.674 CSCOC(C)c1ccccc1I 7d47bb0498e0eafd71a2de128238e73a [0,1,1,0,0,0|2,0,0]=4 2173 B13R1.674 CSCO[C@@H](C)c1ccccc1Cl 50897c983402583937d506cb0937af30 [0,1,1,0,0,0|2,0,0]=4 2174 B13R1.674 CSCO[C@@H](C)c1ccccc1F 1151a97c3976c3aec2db8f62511d2f51 [0,1,1,0,0,0|2,0,0]=4 2175 B13R1.674 CSCO[C@H](C)c1ccccc1Cl 705201a20e31d2b5da9c0878aa60803a [0,1,1,0,0,0|2,0,0]=4 2176 B13R1.674 CSCO[C@H](C)c1ccccc1F 9ef3cf0fe5b79cedd92cfd6105f1ed69 [0,1,1,0,0,0|2,0,0]=4 2177 B13R1.674 C[C@@H](OCCF)c1ccccc1Cl 97e6d3726ac3001a606beb4aaa21c04d [0,1,1,0,0,0|2,0,0]=4 2178 B13R1.674 C[C@@H](OCCS)c1ccccc1Cl 9f5334a5d04c99c4a6750acc204e7892 [0,1,1,0,0,0|2,0,0]=4 2179 B13R1.674 C[C@@H](OCCS)c1ccccc1F 5b6319199e85e808db72b7553080ff48 [0,1,1,0,0,0|2,0,0]=4 2180 B13R1.674 C[C@H](OCCF)c1ccccc1Cl f245fe42f190783133ebbf920a2f27a0 [0,1,1,0,0,0|2,0,0]=4 2181 B13R1.674 C[C@H](OCCS)c1ccccc1Cl ba3a63c904d53764d54fbdb23701b1fe [0,1,1,0,0,0|2,0,0]=4 2182 B13R1.674 C[C@H](OCCS)c1ccccc1F e68deebc9410bf237b9f9182c647c637 [0,1,1,0,0,0|2,0,0]=4 2183 B13R1.674 Cc1ccccc1C(C)OCCS 09abb25cccf66910c9938faf5c4ab34a [0,1,1,0,0,0|2,0,0]=4 2184 B13R1.674 Cc1ccccc1[C@H](C)OCCS 73249ded01ed8a0ba1d409a62025c866 [0,1,1,0,0,0|2,0,0]=4 2185 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 2b14a962c03d416b3fc36a7cc2a9e48f [0,1,1,0,0,0|1,0,0]=3 2186 B13R1.132 CC(C)OC(C)c1ccc(cc1)I 13482ebb554bebee5c9d28d578ee7fd7 [0,1,1,0,0,0|1,0,0]=3 2187 B13R1.132 CC(C)OC(C)c1ccc(nc1)F 46798336e41c4c315c51016797ab5db6 [0,1,1,0,0,0|2,0,0]=4 2188 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)F b98248715112d7212028b31e8c577e05 [0,1,1,0,0,0|1,0,0]=3 2189 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)I 8134dc705dcdfbd181332cae01a5c167 [0,1,1,0,0,0|1,0,0]=3 2190 B13R1.132 CC(C)O[C@H](C)c1ccc(cc1)F de1b161bf1fb2e5108ff544a6d18eede [0,1,1,0,0,0|1,0,0]=3 2191 B13R1.132 CC(C)O[C@H](C)c1ccc(cc1)I e1c75bf4aed86d6c513f89dcd4b032ea [0,1,1,0,0,0|1,0,0]=3 2192 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C ebd823f0bcb640295d64c150dde2053c [0,1,1,0,0,0|1,0,0]=3 2193 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 10c1ef1677cca11d26da55fa99351f30 [0,1,1,0,0,0|1,0,0]=3 2194 B13R1.132 Cc1ccc(cc1)[C@H](C)OC(C)C 9f0383c814b167276cc43dc3702f38d4 [0,1,1,0,0,0|1,0,0]=3 2195 B13R1.132 Cc1ccc(nc1)C(C)OC(C)C a180bad7d94e7dacfbfc082e1da8843e [0,1,1,0,0,0|2,0,0]=4 2196 B13R1.147 CC(C)NC(C)c1cccc(c1)F 559ce2185363e9c56bcbd8061880d700 [0,1,1,0,0,0|2,0,0]=4 2197 B13R1.147 CC(C)N[C@@H](C)c1cccc(c1)F cb1b80c79cab88285c1eb460fe33a7bb [0,1,1,0,0,0|2,0,0]=4 2198 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 314bb32f53129f2e6878a09e87f16255 [0,1,1,0,0,0|2,0,0]=4 2199 B13R1.147 CC(C)OC(C)c1cc(ccn1)Br fcfcbd27041f1315cebf3ba4e1e0a231 [0,1,1,0,0,0|2,0,0]=4 2200 B13R1.147 CC(C)OC(C)c1cc(ccn1)Cl df85522e1de170345b2628bc09c2c992 [0,1,1,0,0,0|2,0,0]=4 2201 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 332bdeb907d3d4434a845ce974754959 [0,1,1,0,0,0|1,0,0]=3 2202 B13R1.147 CC(C)OC(C)c1cccc(c1)Cl 7c39510b5a63353e14f269f549c7a5fc [0,1,1,0,0,0|1,0,0]=3 2203 B13R1.147 CC(C)OC(C)c1cccc(c1)F 7984c7ae3e4ebc87026c9f140b6914b6 [0,1,1,0,0,0|1,0,0]=3 2204 B13R1.147 CC(C)OC(C)c1cccc(c1)I 6d9edf9183017f722daa3e4a35e39fd0 [0,1,1,0,0,0|1,0,0]=3 2205 B13R1.147 CC(C)OC(C)c1ccnc(c1)Br 4a504aa47ec0401bd02c96c2d30b85da [0,1,1,0,0,0|2,0,0]=4 2206 B13R1.147 CC(C)OC(C)c1ccnc(c1)Cl 400f458f2034b0310fc2883508b47164 [0,1,1,0,0,0|2,0,0]=4 2207 B13R1.147 CC(C)OC(C)c1cncc(c1)Cl 9895f51002be9f467603ad073d1e1b5d [0,1,1,0,0,0|2,0,0]=4 2208 B13R1.147 CC(C)OC(C)c1cncc(c1)F e13ba34c2a37a94253dd22f3ca39a4c5 [0,1,1,0,0,0|2,0,0]=4 2209 B13R1.147 CC(C)O[C@@H](C)c1cccc(c1)Br 5a7e3b09cafa33a2185677ca12d1a4b5 [0,1,1,0,0,0|1,0,0]=3 2210 B13R1.147 CC(C)O[C@@H](C)c1cccc(c1)F 1cbe6cf3ac50a36849f783770eeeee85 [0,1,1,0,0,0|1,0,0]=3 2211 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Br 4d2c91d50a90eb7424833b9bdd803624 [0,1,1,0,0,0|1,0,0]=3 2212 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)F 20eaf75bee54d97cdb26f57420cb1acf [0,1,1,0,0,0|1,0,0]=3 2213 B13R1.147 Cc1cc(ccn1)C(C)OC(C)C bcebf40a132a64141de97b316fa2d29c [0,1,1,0,0,0|2,0,0]=4 2214 B13R1.147 Cc1cccc(c1)C(C)NC(C)C ff6dcd87fc99c5c00e274fb8a879c81a [0,1,1,0,0,0|2,0,0]=4 2215 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 2b69fbbe431b546948df51a768e0ae1d [0,1,1,0,0,0|1,0,0]=3 2216 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 442a73c4aa9dcc334244d87ccbee83d7 [0,1,1,0,0,0|2,0,0]=4 2217 B13R1.147 Cc1cccc(c1)[C@@H](C)OC(C)C e72448bcc85470c7b21a9cedc5fe76d8 [0,1,1,0,0,0|1,0,0]=3 2218 B13R1.147 Cc1cccc(c1)[C@H](C)NC(C)C 48ce3f9429528836a7a00cacc0023402 [0,1,1,0,0,0|2,0,0]=4 2219 B13R1.147 Cc1cccc(c1)[C@H](C)OC(C)C b0fafb5f4483def44dad558254d6e04c [0,1,1,0,0,0|1,0,0]=3 2220 B13R1.147 Cc1ccnc(c1)C(C)OC(C)C 21d4217511958c69c2c24b9936a51b9f [0,1,1,0,0,0|2,0,0]=4 2221 B13R1.147 Cc1ccnc(c1)[C@@H](C)OC(C)C 36b9006becf17ed949a856e8a619d2d6 [0,1,1,0,0,0|2,0,0]=4 2222 B13R1.201 CC(C)NC(C)c1ccccc1F e9be2ce15bb61b4369fd97bbdc603c5d [0,1,1,0,0,0|2,0,0]=4 2223 B13R1.201 CC(C)N[C@@H](C)c1ccccc1F 939b73af8906504a0bb75c07cff6f575 [0,1,1,0,0,0|2,0,0]=4 2224 B13R1.201 CC(C)N[C@H](C)c1ccccc1F bff96412a74a539573fa50d8d293f724 [0,1,1,0,0,0|2,0,0]=4 2225 B13R1.201 CC(C)OC(C)c1ccccc1F 01a93f81a9bfe428810362a7b5c540ae [0,1,1,0,0,0|1,0,0]=3 2226 B13R1.201 CC(C)OC(C)c1ccncc1Br f9295f007c0dc513d988b2f126deec57 [0,1,1,0,0,0|2,0,0]=4 2227 B13R1.201 CC(C)OC(C)c1ccncc1Cl 69bb2dc2dba33aae174a2e0c74b3ba99 [0,1,1,0,0,0|2,0,0]=4 2228 B13R1.201 CC(C)OC(C)c1ccncc1F 505a08eb0d660ab49575808be87cc71c [0,1,1,0,0,0|2,0,0]=4 2229 B13R1.201 CC(C)OC(C)c1ncccc1Cl 234d519290d9640713345df628002a58 [0,1,1,0,0,0|2,0,0]=4 2230 B13R1.201 CC(C)OC(C)c1ncccc1F fd7475048c935c1f8b75f96d19daa0f0 [0,1,1,0,0,0|2,0,0]=4 2231 B13R1.201 CC(C)O[C@@H](C)c1ccccc1F 82c652d464d543945db976a5e8c8bd9f [0,1,1,0,0,0|1,0,0]=3 2232 B13R1.201 CC(C)O[C@H](C)c1ccccc1F 41bf74dbf51526865fc8c0abc55f05f2 [0,1,1,0,0,0|1,0,0]=3 2233 B13R1.201 CC(C)O[C@H](C)c1ccncc1Br ee46fc5173da9b1ab74bcc451bb69adf [0,1,1,0,0,0|2,0,0]=4 2234 B13R1.201 CC(C)O[C@H](C)c1ncccc1F 832897f0c459ef63428219b3767d19be [0,1,1,0,0,0|2,0,0]=4 2235 B13R1.201 Cc1cccnc1C(C)OC(C)C f58fc2b6217acec4a56f53b0856b9d6c [0,1,1,0,0,0|2,0,0]=4 2236 B13R1.201 Cc1cccnc1[C@@H](C)OC(C)C aa5bf0fb7d36b7cbbd70932a233647ee [0,1,1,0,0,0|2,0,0]=4 2237 B13R1.347 CC(C)OC(C)(C)c1ccccc1 94cbf8f2e43b8565e58e92fee31ab520 [0,1,1,0,0,0|1,0,0]=3 2238 B13R1.347 CC(C)OC(C)(C)c1ccccn1 2e6099f4dae3ed4da2c5069ed29e3be2 [0,1,1,0,0,0|2,0,0]=4 2239 B13R1.347 CC(C)OC(C)(C)c1cccnc1 b8af9b340c442f77f775d913320b7774 [0,1,1,0,0,0|2,0,0]=4 2240 B13R1.347 CC(C)OC(C)(C)c1ccncc1 32a3a268ed0e614c211fc7c37b6255c2 [0,1,1,0,0,0|2,0,0]=4 2241 B13R1.149 C=C(C)COCc1cccc(c1)Br 82e58a2d070de5c04bfc2f8c3acf43eb [0,1,1,0,0,0|1,0,1]=4 2242 B13R1.149 C=C(C)COCc1cccc(c1)C 5d60e857647ce96030f84cbcdd7b782b [0,1,1,0,0,0|1,0,1]=4 2243 B13R1.149 C=C(C)COCc1cccc(c1)Cl fc2671fbfe68874695b2e032d03c7cfb [0,1,1,0,0,0|1,0,1]=4 2244 B13R1.149 C=C(C)COCc1cccc(c1)F 080d152472bcf53009bcc1f041804455 [0,1,1,0,0,0|1,0,1]=4 2245 B13R1.149 C=C(C)COCc1cccc(c1)I a34bd72552a1700079b122acaff45318 [0,1,1,0,0,0|1,0,1]=4 2246 B13R1.149 CC(=O)COCc1cccc(c1)Br 3be2ab6072d9984bf0176d692b4931d8 [0,1,1,0,0,0|0,0,2]=4 2247 B13R1.149 CC(=O)COCc1cccc(c1)C 16a5fb1a90730c55e1129d02503de49c [0,1,1,0,0,0|0,0,2]=4 2248 B13R1.149 CC(=O)COCc1cccc(c1)Cl 78d020f5194c6c246320d6b0b049c431 [0,1,1,0,0,0|0,0,2]=4 2249 B13R1.149 CC(=O)COCc1cccc(c1)F 1ee09730646175d58d3d5dbde4ae041d [0,1,1,0,0,0|0,0,2]=4 2250 B13R1.149 CC(=O)COCc1cccc(c1)I a6a1e468fa018cbb3b9d5c9fbd16fd9d [0,1,1,0,0,0|0,0,2]=4 2251 B13R1.149 CC(C)CNCc1cccc(c1)Br 158cabc92a94009f2714cda73f3cb9b5 [0,1,1,0,0,0|2,0,0]=4 2252 B13R1.149 CC(C)CNCc1cccc(c1)Cl fcb04b624a02b5c6c45fcd2bfdcf38e4 [0,1,1,0,0,0|2,0,0]=4 2253 B13R1.149 CC(C)CNCc1cccc(c1)F ea4ae6161c29ad5890528e0d690eae62 [0,1,1,0,0,0|2,0,0]=4 2254 B13R1.149 CC(C)CNCc1cccc(c1)I 597b045d4c6dd3b5509b829b665131f4 [0,1,1,0,0,0|2,0,0]=4 2255 B13R1.149 CC(C)COCc1cc(ccn1)Br 4fcc11aba823481c37aa62be16fea992 [0,1,1,0,0,0|2,0,0]=4 2256 B13R1.149 CC(C)COCc1cc(ccn1)Cl 197df98f049aa8a6ccba83ca0052273f [0,1,1,0,0,0|2,0,0]=4 2257 B13R1.149 CC(C)COCc1cc(ccn1)F 700858b0bc3b69351db67adbe6682380 [0,1,1,0,0,0|2,0,0]=4 2258 B13R1.149 CC(C)COCc1cc(ccn1)I 5647339a63e52b388e59b4072e51e99e [0,1,1,0,0,0|2,0,0]=4 2259 B13R1.149 CC(C)COCc1cc[nH]c(=O)c1 4e972f969f92dcd734f1952a84d65d4f [0,1,1,0,0,0|2,0,0]=4 2260 B13R1.149 CC(C)COCc1ccc[n+](c1)[O-] 5b3ab5dce42bd44c08b32ded04eb3435 [0,1,1,0,0,0|2,0,0]=4 2261 B13R1.149 CC(C)COCc1cccc(c1)Br 3f6f4466f8a025e2ef783bad24f7989f [0,1,1,0,0,0|1,0,0]=3 2262 B13R1.149 CC(C)COCc1cccc(c1)Cl ef0582628be7c6f10b2610587d28cf64 [0,1,1,0,0,0|1,0,0]=3 2263 B13R1.149 CC(C)COCc1cccc(c1)F 65aeebf9dcbfe0d1cbf16d41affc9310 [0,1,1,0,0,0|1,0,0]=3 2264 B13R1.149 CC(C)COCc1cccc(c1)I 15a67c80e5880dd60fb46d1517814b0d [0,1,1,0,0,0|1,0,0]=3 2265 B13R1.149 CC(C)COCc1cccc(n1)Br 26a79f09bdc642ec8229c19e6499ef23 [0,1,1,0,0,0|2,0,0]=4 2266 B13R1.149 CC(C)COCc1cccc(n1)Cl 06aac3b54972c1e4bf430b8de457b3de [0,1,1,0,0,0|2,0,0]=4 2267 B13R1.149 CC(C)COCc1cccc(n1)F 274e5bb5dc53acc5c6a5c1c57cea2d00 [0,1,1,0,0,0|2,0,0]=4 2268 B13R1.149 CC(C)COCc1cccc(n1)I 18a8c481ae2f617d88ea1c72308ba61a [0,1,1,0,0,0|2,0,0]=4 2269 B13R1.149 CC(C)COCc1ccnc(c1)Br d5584541282b1c8a8aeb8a90ed9fc305 [0,1,1,0,0,0|2,0,0]=4 2270 B13R1.149 CC(C)COCc1ccnc(c1)Cl 9d78d1e4f096b8e624b00403b0109571 [0,1,1,0,0,0|2,0,0]=4 2271 B13R1.149 CC(C)COCc1ccnc(c1)F 2cd1b19dbd8fc5538fec41fa0be7d69d [0,1,1,0,0,0|2,0,0]=4 2272 B13R1.149 CC(C)COCc1cncc(c1)Br 8d1a6aa4f5c6f4cbca693ba076841c1d [0,1,1,0,0,0|2,0,0]=4 2273 B13R1.149 CC(C)COCc1cncc(c1)Cl 376561be4df1a599de567709cc24598e [0,1,1,0,0,0|2,0,0]=4 2274 B13R1.149 CC(C)COCc1cncc(c1)F f3f330b708c9f2d110d9f2c916e75804 [0,1,1,0,0,0|2,0,0]=4 2275 B13R1.149 CC(C)COCc1cncc(c1)I b99a87607ad5665bfe21b84bbe2e8da7 [0,1,1,0,0,0|2,0,0]=4 2276 B13R1.149 CC(F)COCc1cc(ccn1)Br 393019dc4b30ab0a6acf28cb1b4b8a67 [0,1,1,0,0,0|2,0,0]=4 2277 B13R1.149 CC(F)COCc1cc(ccn1)Cl 91c4e79d281f3d2681962af09d2281a5 [0,1,1,0,0,0|2,0,0]=4 2278 B13R1.149 CC(F)COCc1cc[nH]c(=O)c1 dc49457e6dc45607fb98f415b89a06ec [0,1,1,0,0,0|2,0,0]=4 2279 B13R1.149 CC(F)COCc1cccc(c1)Br 28d2a8a60c002911121ebba946e62946 [0,1,1,0,0,0|1,0,0]=3 2280 B13R1.149 CC(F)COCc1cccc(c1)Cl 13e28dac92c97e560c132eea5e6316da [0,1,1,0,0,0|1,0,0]=3 2281 B13R1.149 CC(F)COCc1cccc(c1)F 18e455b4e5b71b1ee65f062a6d21c581 [0,1,1,0,0,0|1,0,0]=3 2282 B13R1.149 CC(F)COCc1cccc(c1)I 0c1aad849a8374c912b0747a46ba1a7a [0,1,1,0,0,0|1,0,0]=3 2283 B13R1.149 CC(F)COCc1cccc(n1)Br c9eb3ed8d7285d1b3dae941bb52b9598 [0,1,1,0,0,0|2,0,0]=4 2284 B13R1.149 CC(F)COCc1cccc(n1)Cl 651a00e1c31dfb93e08f63a947d60837 [0,1,1,0,0,0|2,0,0]=4 2285 B13R1.149 CC(F)COCc1cccc(n1)F d5895683c60c72c6375f104cd1b8569b [0,1,1,0,0,0|2,0,0]=4 2286 B13R1.149 CC(F)COCc1ccnc(c1)Br fc91a3e44162b3e6b28fa5895bc02084 [0,1,1,0,0,0|2,0,0]=4 2287 B13R1.149 CC(F)COCc1ccnc(c1)Cl 60d9d74c08b046f8f9e779aeb9a0d416 [0,1,1,0,0,0|2,0,0]=4 2288 B13R1.149 CC(F)COCc1ccnc(c1)F e3f23a0ad6e38a398f502789c168e26b [0,1,1,0,0,0|2,0,0]=4 2289 B13R1.149 CC(F)COCc1cncc(c1)Br 769b4a8856b207e3d5aaa789dce4d268 [0,1,1,0,0,0|2,0,0]=4 2290 B13R1.149 CC(F)COCc1cncc(c1)Cl b86ceab754cdee9ab47692c5bcb5e892 [0,1,1,0,0,0|2,0,0]=4 2291 B13R1.149 CC(F)COCc1cncc(c1)F 6364f1d8c257d48f23154c3a406cd1de [0,1,1,0,0,0|2,0,0]=4 2292 B13R1.149 CC(O)CCNc1cccc(c1)Br de49fa03e8539ffac044994033dcb5c1 [0,1,1,0,0,0|2,0,0]=4 2293 B13R1.149 CC(O)CCNc1cccc(c1)Cl acbe11411fcfc3899aba22fe3aa1634c [0,1,1,0,0,0|2,0,0]=4 2294 B13R1.149 CC(O)CCNc1cccc(c1)F ec75dc7ad57a9f0b057ea6f35b3f78f2 [0,1,1,0,0,0|2,0,0]=4 2295 B13R1.149 CC(O)CCNc1cccc(c1)I 9a2d223db75a09fdf1b51d9f4b1bc5d5 [0,1,1,0,0,0|2,0,0]=4 2296 B13R1.149 CC(O)CCNc1cccc(c1)S 92726849de281a59802cb828c5b24f2d [0,1,1,0,0,0|2,0,0]=4 2297 B13R1.149 CC(O)CNCc1cc(ccn1)Br b42b5c13e6be062e7c051036ae4934d6 [0,1,1,0,0,0|2,0,0]=4 2298 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 59b5e87329bfe6e78fce0d8330d87041 [0,1,1,0,0,0|2,0,0]=4 2299 B13R1.149 CC(O)CNCc1cc[nH]c(=O)c1 3e22582fd8615f5ab591537144010b19 [0,1,1,0,0,0|2,0,0]=4 2300 B13R1.149 CC(O)CNCc1ccc[n+](c1)[O-] 65a260840d2ea9fc80dab475e8f87e1d [0,1,1,0,0,0|2,0,0]=4 2301 B13R1.149 CC(O)CNCc1cccc(c1)Br 96c3a210b71936f93aa38f67bf96eb35 [0,1,1,0,0,0|1,0,0]=3 2302 B13R1.149 CC(O)CNCc1cccc(c1)Cl bfa2522930e68a852f8c633c49a75b0c [0,1,1,0,0,0|1,0,0]=3 2303 B13R1.149 CC(O)CNCc1cccc(c1)F 8b2d350c09d7c6f09c1b6adfeb3cde72 [0,1,1,0,0,0|1,0,0]=3 2304 B13R1.149 CC(O)CNCc1cccc(c1)I 6e3819fea386711bc80dd904df96cb02 [0,1,1,0,0,0|1,0,0]=3 2305 B13R1.149 CC(O)CNCc1cccc(n1)Br 988dbaf2f810ff24ae572eec60dc76fe [0,1,1,0,0,0|2,0,0]=4 2306 B13R1.149 CC(O)CNCc1cccc(n1)Cl c15fda34701f063dce91af67b5f54507 [0,1,1,0,0,0|2,0,0]=4 2307 B13R1.149 CC(O)CNCc1cccc(n1)F 5b2cd1d8adfa69c114be7062ec92ed20 [0,1,1,0,0,0|2,0,0]=4 2308 B13R1.149 CC(O)CNCc1ccnc(c1)Br 4f67a698e17b1efe044da8b229308e5a [0,1,1,0,0,0|2,0,0]=4 2309 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 21a620f5f8a8d7df24dda9f0f0f753ff [0,1,1,0,0,0|2,0,0]=4 2310 B13R1.149 CC(O)CNCc1ccnc(c1)F 0043e7a7d25242060eeb3884640ca027 [0,1,1,0,0,0|2,0,0]=4 2311 B13R1.149 CC(O)CNCc1cncc(c1)Br 6be6d2a8f04e2e75bcd6b1368ae4601c [0,1,1,0,0,0|2,0,0]=4 2312 B13R1.149 CC(O)CNCc1cncc(c1)Cl 615df85bf592ad86be4350df843fa329 [0,1,1,0,0,0|2,0,0]=4 2313 B13R1.149 CC(O)CNCc1cncc(c1)F 9bfa9fc78e6b2a309efde96b20a7c451 [0,1,1,0,0,0|2,0,0]=4 2314 B13R1.149 CC(S)COCc1cc(ccn1)Br 7e6ed502f527e2c412333271fa307bba [0,1,1,0,0,0|1,1,0]=4 2315 B13R1.149 CC(S)COCc1cc(ccn1)Cl 6bb8a91fe98d7da7eb1f92413496ef8b [0,1,1,0,0,0|1,1,0]=4 2316 B13R1.149 CC(S)COCc1cc[nH]c(=O)c1 f4df3b741e48ac58e832b601749c4ef7 [0,1,1,0,0,0|1,1,0]=4 2317 B13R1.149 CC(S)COCc1cccc(c1)Br 4e4b0a9a54a6d21896c2aa9b2d986515 [0,1,1,0,0,0|0,1,0]=3 2318 B13R1.149 CC(S)COCc1cccc(c1)Cl df58bec81e56d886a9b607d3d3099deb [0,1,1,0,0,0|0,1,0]=3 2319 B13R1.149 CC(S)COCc1cccc(c1)F 0742c947c8c8395b8dd90ba316d60b64 [0,1,1,0,0,0|0,1,0]=3 2320 B13R1.149 CC(S)COCc1cccc(c1)I f8e3b20e5d7b3dbfc46679a270ae382e [0,1,1,0,0,0|0,1,0]=3 2321 B13R1.149 CC(S)COCc1cccc(n1)Br a9b8f09d701d15a7bbfee2d1b80635ad [0,1,1,0,0,0|1,1,0]=4 2322 B13R1.149 CC(S)COCc1cccc(n1)Cl 23723193d3f8b87c54614a5481e552de [0,1,1,0,0,0|1,1,0]=4 2323 B13R1.149 CC(S)COCc1cccc(n1)F 5f8bfb957e6718542b9aec08f2e90297 [0,1,1,0,0,0|1,1,0]=4 2324 B13R1.149 CC(S)COCc1ccnc(c1)Br 840aa283179b16010180228e7f5cf351 [0,1,1,0,0,0|1,1,0]=4 2325 B13R1.149 CC(S)COCc1ccnc(c1)Cl 3948533c8e860433b3229d857971d7f1 [0,1,1,0,0,0|1,1,0]=4 2326 B13R1.149 CC(S)COCc1ccnc(c1)F 68cd86d9a3c8926d8173b1d644b0705a [0,1,1,0,0,0|1,1,0]=4 2327 B13R1.149 CC(S)COCc1cncc(c1)Br 8b9a8424427b265344793946c3dda716 [0,1,1,0,0,0|1,1,0]=4 2328 B13R1.149 CC(S)COCc1cncc(c1)Cl 79650304211c922fc35c978b6225a6b9 [0,1,1,0,0,0|1,1,0]=4 2329 B13R1.149 CC(S)COCc1cncc(c1)F eca75c3260cf57a03c256395d3eafab8 [0,1,1,0,0,0|1,1,0]=4 2330 B13R1.149 CN(C)COCc1cccc(c1)Br 52e82bcd630d14ed94c2f750247c6af0 [0,1,1,0,0,0|2,0,0]=4 2331 B13R1.149 CN(C)COCc1cccc(c1)Cl 5b695b1d28126d5756bbee6b1d52efa6 [0,1,1,0,0,0|2,0,0]=4 2332 B13R1.149 CN(C)COCc1cccc(c1)F c5f2d704fbb36dd3dd6e4c6a2a24d896 [0,1,1,0,0,0|2,0,0]=4 2333 B13R1.149 CN(C)COCc1cccc(c1)I 1150a2cc9b9454c95bf69a4b07419c9e [0,1,1,0,0,0|2,0,0]=4 2334 B13R1.149 C[C@@H](F)COCc1cc(ccn1)Br 4c9c94084f4304b3237cba815223fb1c [0,1,1,0,0,0|2,0,0]=4 2335 B13R1.149 C[C@@H](F)COCc1cc(ccn1)Cl 2b7ee0cb032d07f77685ffcc12cf1d29 [0,1,1,0,0,0|2,0,0]=4 2336 B13R1.149 C[C@@H](F)COCc1cc[nH]c(=O)c1 49869c121f4ec33d8603834f6598220d [0,1,1,0,0,0|2,0,0]=4 2337 B13R1.149 C[C@@H](F)COCc1cccc(c1)Br cf1cc6262d2a693227c6d4ea409c1595 [0,1,1,0,0,0|1,0,0]=3 2338 B13R1.149 C[C@@H](F)COCc1cccc(c1)Cl 62bf4e37ec89a54c7f5353fceb510bcd [0,1,1,0,0,0|1,0,0]=3 2339 B13R1.149 C[C@@H](F)COCc1cccc(c1)F 4b8e13c530775dd4071dd9a88ff78ef4 [0,1,1,0,0,0|1,0,0]=3 2340 B13R1.149 C[C@@H](F)COCc1cccc(c1)I 9e63ecaae8b9f4c0832f6f3dbcab4847 [0,1,1,0,0,0|1,0,0]=3 2341 B13R1.149 C[C@@H](F)COCc1cccc(n1)Br 42ed97b0aa947c67af42e0da998df518 [0,1,1,0,0,0|2,0,0]=4 2342 B13R1.149 C[C@@H](F)COCc1cccc(n1)Cl 588b6fccb1bdd1cc95801d01584570e5 [0,1,1,0,0,0|2,0,0]=4 2343 B13R1.149 C[C@@H](F)COCc1cccc(n1)F 56cdfc9af32efffd23f14d422c040725 [0,1,1,0,0,0|2,0,0]=4 2344 B13R1.149 C[C@@H](F)COCc1ccnc(c1)Br 458a03c323467b2f4cb1f4743f2cebd5 [0,1,1,0,0,0|2,0,0]=4 2345 B13R1.149 C[C@@H](F)COCc1ccnc(c1)Cl 9c6cc614faf5b8de7a723329d28fc47f [0,1,1,0,0,0|2,0,0]=4 2346 B13R1.149 C[C@@H](F)COCc1ccnc(c1)F 2641fde84fa952bb047ce9c56b7e0bc4 [0,1,1,0,0,0|2,0,0]=4 2347 B13R1.149 C[C@@H](F)COCc1cncc(c1)Br 09514c1a09ece566a762649d33f34bab [0,1,1,0,0,0|2,0,0]=4 2348 B13R1.149 C[C@@H](F)COCc1cncc(c1)Cl 32220d8c2b6f8698d1505cf9b535f53d [0,1,1,0,0,0|2,0,0]=4 2349 B13R1.149 C[C@@H](F)COCc1cncc(c1)F ad40aba41f3160b21a6ada7fa5f0c5e3 [0,1,1,0,0,0|2,0,0]=4 2350 B13R1.149 C[C@@H](O)CCNc1cccc(c1)S c01831baa5d1b1a2a99d9e318c0596d4 [0,1,1,0,0,0|2,0,0]=4 2351 B13R1.149 C[C@@H](O)CNCc1cc(ccn1)Br 5c925d0d6a272e8068189da5f405ae78 [0,1,1,0,0,0|2,0,0]=4 2352 B13R1.149 C[C@@H](O)CNCc1cc(ccn1)Cl 4e96dd3d15964daae4d62e9041fd9d86 [0,1,1,0,0,0|2,0,0]=4 2353 B13R1.149 C[C@@H](O)CNCc1cc[nH]c(=O)c1 98e23d35cd8c354ef0e52459042a26d8 [0,1,1,0,0,0|2,0,0]=4 2354 B13R1.149 C[C@@H](O)CNCc1ccc[n+](c1)[O-] f50bb6726b20c5bc9d05a6c77bcf95aa [0,1,1,0,0,0|2,0,0]=4 2355 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 69874046edb7aeb76259b569be3fa78e [0,1,1,0,0,0|1,0,0]=3 2356 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl f9ad7dabf65b4f1d156e2d87ab0c2ee1 [0,1,1,0,0,0|1,0,0]=3 2357 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 4f5e9662828dc90cc515c9d71b89caef [0,1,1,0,0,0|1,0,0]=3 2358 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 258c7599f672f8fbe7cbdedd9936e6a4 [0,1,1,0,0,0|1,0,0]=3 2359 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Br bf5c3d8cd0f78353b68a34210b01cacb [0,1,1,0,0,0|2,0,0]=4 2360 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Cl 86cb7db700c4fe21d2d82debff0375fa [0,1,1,0,0,0|2,0,0]=4 2361 B13R1.149 C[C@@H](O)CNCc1cccc(n1)F 75e5e6e7be25e631dd6a26df5fb9254d [0,1,1,0,0,0|2,0,0]=4 2362 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Br 44620ea2d85d73f2ad9ec92338e11961 [0,1,1,0,0,0|2,0,0]=4 2363 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Cl 5599d983ac458b9500fb079e98053af8 [0,1,1,0,0,0|2,0,0]=4 2364 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)F 1c41dabc7059e378ffc737e34c7172db [0,1,1,0,0,0|2,0,0]=4 2365 B13R1.149 C[C@@H](O)CNCc1cncc(c1)Br faf32287fb37271c1f2c8baf36678286 [0,1,1,0,0,0|2,0,0]=4 2366 B13R1.149 C[C@@H](O)CNCc1cncc(c1)Cl 42b2f4caef38834d197f19e35d099298 [0,1,1,0,0,0|2,0,0]=4 2367 B13R1.149 C[C@@H](O)CNCc1cncc(c1)F 92e66ac0bdf5ae6aa4fbd5f8f78feb91 [0,1,1,0,0,0|2,0,0]=4 2368 B13R1.149 C[C@H](F)COCc1cc(ccn1)Br 4a6cade4c9ce67a33ce1401557c05eab [0,1,1,0,0,0|2,0,0]=4 2369 B13R1.149 C[C@H](F)COCc1cc(ccn1)Cl a1497efa9d329ad08e7c7a754da801b8 [0,1,1,0,0,0|2,0,0]=4 2370 B13R1.149 C[C@H](F)COCc1cc[nH]c(=O)c1 04fcffc3a6ca81b3ca7f8e82c60a43b0 [0,1,1,0,0,0|2,0,0]=4 2371 B13R1.149 C[C@H](F)COCc1cccc(c1)Br 4a39d21bccfaa9b95907c148417192be [0,1,1,0,0,0|1,0,0]=3 2372 B13R1.149 C[C@H](F)COCc1cccc(c1)Cl c71c22b683c9dc015eb02289c9b1ae3f [0,1,1,0,0,0|1,0,0]=3 2373 B13R1.149 C[C@H](F)COCc1cccc(c1)F 83013d8fec29391e2fd05412adfe034d [0,1,1,0,0,0|1,0,0]=3 2374 B13R1.149 C[C@H](F)COCc1cccc(c1)I 56cfd3be5b9b1a7177f5ef5d5983ab4a [0,1,1,0,0,0|1,0,0]=3 2375 B13R1.149 C[C@H](F)COCc1cccc(n1)Br aa7c1cd2b8ac0b586763a31182c86afb [0,1,1,0,0,0|2,0,0]=4 2376 B13R1.149 C[C@H](F)COCc1cccc(n1)Cl f22dffdff3ec6e25b1bbe80d4166fc83 [0,1,1,0,0,0|2,0,0]=4 2377 B13R1.149 C[C@H](F)COCc1cccc(n1)F 8e6a0444804660d08a4b66d651b724cf [0,1,1,0,0,0|2,0,0]=4 2378 B13R1.149 C[C@H](F)COCc1ccnc(c1)Br 63f94e464d89b5c5a8adc0cd768a50ef [0,1,1,0,0,0|2,0,0]=4 2379 B13R1.149 C[C@H](F)COCc1ccnc(c1)Cl 9849373eff92d8ddf9fd94899a8f2817 [0,1,1,0,0,0|2,0,0]=4 2380 B13R1.149 C[C@H](F)COCc1ccnc(c1)F 3e06f3292833c666f0637da4e1c40495 [0,1,1,0,0,0|2,0,0]=4 2381 B13R1.149 C[C@H](F)COCc1cncc(c1)Br 5d81ed1b48a45f2fb848c3ec36c9c149 [0,1,1,0,0,0|2,0,0]=4 2382 B13R1.149 C[C@H](F)COCc1cncc(c1)Cl c6c7388b384c7e4724aceb706d6e59e2 [0,1,1,0,0,0|2,0,0]=4 2383 B13R1.149 C[C@H](F)COCc1cncc(c1)F fdcb63cd72e427b40ca799fb2c8ed1a3 [0,1,1,0,0,0|2,0,0]=4 2384 B13R1.149 C[C@H](O)CCNc1cccc(c1)S 615c850fa48c1799db2bc7f9ddc9798e [0,1,1,0,0,0|2,0,0]=4 2385 B13R1.149 C[C@H](O)CNCc1cc(ccn1)Br 539f22cd6ef3a5031fca7cf79f463a3c [0,1,1,0,0,0|2,0,0]=4 2386 B13R1.149 C[C@H](O)CNCc1cc(ccn1)Cl 2bb03a79d36d61f4f610e0817108ce4a [0,1,1,0,0,0|2,0,0]=4 2387 B13R1.149 C[C@H](O)CNCc1cc[nH]c(=O)c1 b01520326cd4ee7776d19f639afb1d4c [0,1,1,0,0,0|2,0,0]=4 2388 B13R1.149 C[C@H](O)CNCc1ccc[n+](c1)[O-] ccb83c1b8b7303f5b33ff573e4c740fe [0,1,1,0,0,0|2,0,0]=4 2389 B13R1.149 C[C@H](O)CNCc1cccc(c1)Br a700fc84111e1d6dbfad025016f8f9dd [0,1,1,0,0,0|1,0,0]=3 2390 B13R1.149 C[C@H](O)CNCc1cccc(c1)Cl f173ac5763c9fdac0f8a064275aa9547 [0,1,1,0,0,0|1,0,0]=3 2391 B13R1.149 C[C@H](O)CNCc1cccc(c1)F b8b5fde3fd2f274022ce343ba3c10973 [0,1,1,0,0,0|1,0,0]=3 2392 B13R1.149 C[C@H](O)CNCc1cccc(c1)I 8a98f34e84eaf0bd0d7cfae126aa46a6 [0,1,1,0,0,0|1,0,0]=3 2393 B13R1.149 C[C@H](O)CNCc1cccc(n1)Br 9b91617262e688769c8162b8bb182363 [0,1,1,0,0,0|2,0,0]=4 2394 B13R1.149 C[C@H](O)CNCc1cccc(n1)Cl 1e8d60d1990683ddc7e0e9a0a73e4a9f [0,1,1,0,0,0|2,0,0]=4 2395 B13R1.149 C[C@H](O)CNCc1cccc(n1)F 4f27dc1d092ddddce9c7bb3a328ca365 [0,1,1,0,0,0|2,0,0]=4 2396 B13R1.149 C[C@H](O)CNCc1ccnc(c1)Br 01d8891e6618dac9e79722fd0117fa4b [0,1,1,0,0,0|2,0,0]=4 2397 B13R1.149 C[C@H](O)CNCc1ccnc(c1)Cl 0b9fe2b9b8a539a447c461ac6110d9f5 [0,1,1,0,0,0|2,0,0]=4 2398 B13R1.149 C[C@H](O)CNCc1ccnc(c1)F a679c133a88917c07e4d6a713a943642 [0,1,1,0,0,0|2,0,0]=4 2399 B13R1.149 C[C@H](O)CNCc1cncc(c1)Br 9cde4f41413c809f1228f782aff5fe27 [0,1,1,0,0,0|2,0,0]=4 2400 B13R1.149 C[C@H](O)CNCc1cncc(c1)Cl 150bc976c36810ee2ebdb5c46eaed081 [0,1,1,0,0,0|2,0,0]=4 2401 B13R1.149 C[C@H](O)CNCc1cncc(c1)F 45a512c32293dc563fae39dac5b0a261 [0,1,1,0,0,0|2,0,0]=4 2402 B13R1.149 Cc1cc(ccn1)CNCC(C)O 7f65128d875f3f9c083f243e50c82731 [0,1,1,0,0,0|2,0,0]=4 2403 B13R1.149 Cc1cc(ccn1)CNC[C@@H](C)O e31325b06c7f5c8d97fbd6df2cdc08d6 [0,1,1,0,0,0|2,0,0]=4 2404 B13R1.149 Cc1cc(ccn1)CNC[C@H](C)O eb58999d5d454e5dd0ded6afee1afc2d [0,1,1,0,0,0|2,0,0]=4 2405 B13R1.149 Cc1cc(ccn1)COCC(C)C 604de2b4c46e0e22328e699b49b20194 [0,1,1,0,0,0|2,0,0]=4 2406 B13R1.149 Cc1cc(ccn1)COCC(C)F 9c2bc25e5743bf7e14cb642d50aa65d3 [0,1,1,0,0,0|2,0,0]=4 2407 B13R1.149 Cc1cc(ccn1)COCC(C)S 709e1cf3d5229ac109ef972fffa5e2fc [0,1,1,0,0,0|1,1,0]=4 2408 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)F 53026323fd26a7edc00d872a19f57363 [0,1,1,0,0,0|2,0,0]=4 2409 B13R1.149 Cc1cc(ccn1)COC[C@H](C)F 0182696cc093986b9b36fb200b8975ec [0,1,1,0,0,0|2,0,0]=4 2410 B13R1.149 Cc1cccc(c1)CNCC(C)C bb0334a779fbb99d989ae97d253da6e4 [0,1,1,0,0,0|2,0,0]=4 2411 B13R1.149 Cc1cccc(c1)CNCC(C)O 6cd8b22b8b66596ec7f6cf4781ce8f07 [0,1,1,0,0,0|1,0,0]=3 2412 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O d2b7c55835ed26af16973da42cd2c877 [0,1,1,0,0,0|1,0,0]=3 2413 B13R1.149 Cc1cccc(c1)CNC[C@H](C)O 8519a715397b2285cd74367a46cfad5e [0,1,1,0,0,0|1,0,0]=3 2414 B13R1.149 Cc1cccc(c1)COCC(=O)O 7ccc2970ba5c32cc1d9394fad6349249 [0,1,1,0,0,0|1,0,1]=4 2415 B13R1.149 Cc1cccc(c1)COCC(C)C 83cff12924188163800d8a65ff2e2ffa [0,1,1,0,0,0|1,0,0]=3 2416 B13R1.149 Cc1cccc(c1)COCC(C)F 4c27974e7009d439231850c64086182a [0,1,1,0,0,0|1,0,0]=3 2417 B13R1.149 Cc1cccc(c1)COCC(C)S 4682f7210be9fa1d483415cedf6d9161 [0,1,1,0,0,0|0,1,0]=3 2418 B13R1.149 Cc1cccc(c1)COCC(F)F 00d04b9454c0dd60b2ff30cf0cccfbf5 [0,1,1,0,0,0|2,0,0]=4 2419 B13R1.149 Cc1cccc(c1)COCN(C)C 650cbc4332345ebfacf1c28d58b71287 [0,1,1,0,0,0|2,0,0]=4 2420 B13R1.149 Cc1cccc(c1)COCS(=O)O 6c0f8999606e8750fc8ee725256a8016 [0,1,1,0,0,0|2,0,0]=4 2421 B13R1.149 Cc1cccc(c1)COC[C@@H](C)F beb9987f076613d9a3f70e0d5fc40c08 [0,1,1,0,0,0|1,0,0]=3 2422 B13R1.149 Cc1cccc(c1)COC[C@H](C)F 91d91eac1f7bc52b38fee473aadac7e9 [0,1,1,0,0,0|1,0,0]=3 2423 B13R1.149 Cc1cccc(c1)NCCC(C)O b07cff58b2674b4597cec64c761b6ada [0,1,1,0,0,0|2,0,0]=4 2424 B13R1.149 Cc1cccc(c1)NCC[C@@H](C)O b37f185c717ea55d21c399087dc9810a [0,1,1,0,0,0|2,0,0]=4 2425 B13R1.149 Cc1cccc(c1)NCC[C@H](C)O 0645bdc59ab1937e7c831605852b54be [0,1,1,0,0,0|2,0,0]=4 2426 B13R1.149 Cc1cccc(n1)CNCC(C)O dbe605d552e7b7a32658b082b6c918a6 [0,1,1,0,0,0|2,0,0]=4 2427 B13R1.149 Cc1cccc(n1)CNC[C@@H](C)O 496f3652559425c483c2dd0671b0558f [0,1,1,0,0,0|2,0,0]=4 2428 B13R1.149 Cc1cccc(n1)CNC[C@H](C)O 343e3d694eb954adba06fee9ef16e620 [0,1,1,0,0,0|2,0,0]=4 2429 B13R1.149 Cc1cccc(n1)COCC(C)C 31d233a0afc0449026efad09f271804a [0,1,1,0,0,0|2,0,0]=4 2430 B13R1.149 Cc1cccc(n1)COCC(C)F ee9bb05730777a92efad5aba67b2f923 [0,1,1,0,0,0|2,0,0]=4 2431 B13R1.149 Cc1cccc(n1)COCC(C)S 4d7afe12d3a6083d4b82b392494a3a83 [0,1,1,0,0,0|1,1,0]=4 2432 B13R1.149 Cc1cccc(n1)COC[C@@H](C)F c533d45266adb920a73cd341c0179d2c [0,1,1,0,0,0|2,0,0]=4 2433 B13R1.149 Cc1cccc(n1)COC[C@H](C)F 40febd2f0e7d7f9eca6d58c76d6e33ea [0,1,1,0,0,0|2,0,0]=4 2434 B13R1.149 Cc1ccnc(c1)CNCC(C)O 8f8d2f8c4be0304346330fa789deecec [0,1,1,0,0,0|2,0,0]=4 2435 B13R1.149 Cc1ccnc(c1)CNC[C@@H](C)O 584fd7b9f8240d4a3246f3f3dd542740 [0,1,1,0,0,0|2,0,0]=4 2436 B13R1.149 Cc1ccnc(c1)CNC[C@H](C)O f043a8e61df5dd1eedd4b93e4c11efc9 [0,1,1,0,0,0|2,0,0]=4 2437 B13R1.149 Cc1ccnc(c1)COCC(C)C 730d34729b3ce37c817a02d6c707f62f [0,1,1,0,0,0|2,0,0]=4 2438 B13R1.149 Cc1ccnc(c1)COCC(C)F 81ec7ffac26b84fa787ef8ca2ddf8332 [0,1,1,0,0,0|2,0,0]=4 2439 B13R1.149 Cc1ccnc(c1)COCC(C)S 97940bb1bb3f05048e69dd40d7b1ec7f [0,1,1,0,0,0|1,1,0]=4 2440 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)F 4cd53ffc68b658c9e9cb7a6bd74cf8be [0,1,1,0,0,0|2,0,0]=4 2441 B13R1.149 Cc1ccnc(c1)COC[C@H](C)F 6e3a1f51e34a46c43bde42e3760a46a0 [0,1,1,0,0,0|2,0,0]=4 2442 B13R1.149 Cc1cncc(c1)CNCC(C)O cd5d40a9cf9fd79e3e3f64a2aa4e543c [0,1,1,0,0,0|2,0,0]=4 2443 B13R1.149 Cc1cncc(c1)CNC[C@@H](C)O 413cb3a8893a491c75230045ff1bcac1 [0,1,1,0,0,0|2,0,0]=4 2444 B13R1.149 Cc1cncc(c1)CNC[C@H](C)O 1fecd554cd57c2345b6db6f609df5733 [0,1,1,0,0,0|2,0,0]=4 2445 B13R1.149 Cc1cncc(c1)COCC(C)C 477f4204274577542be7bd63b17e60ad [0,1,1,0,0,0|2,0,0]=4 2446 B13R1.149 FC(F)COCc1cccc(c1)Br 7c95be5891bf058215b003c048065a96 [0,1,1,0,0,0|2,0,0]=4 2447 B13R1.149 FC(F)COCc1cccc(c1)Cl d113319ee41eff71bcd773bf4b18f42d [0,1,1,0,0,0|2,0,0]=4 2448 B13R1.149 FC(F)COCc1cccc(c1)I bf0dfe48273e187543c37ee1e25786ed [0,1,1,0,0,0|2,0,0]=4 2449 B13R1.149 Fc1cccc(c1)COCC(F)F 60db1d67e8fb401956e8d6de8d65aba9 [0,1,1,0,0,0|2,0,0]=4 2450 B13R1.149 O=C(O)COCc1cccc(c1)Br 1761abccc32be6433f46e4e72afedaae [0,1,1,0,0,0|1,0,1]=4 2451 B13R1.149 O=C(O)COCc1cccc(c1)Cl ba5824635875cd2ab2df80699c05095a [0,1,1,0,0,0|1,0,1]=4 2452 B13R1.149 O=C(O)COCc1cccc(c1)F 6d14dc0c0796571e9d948ba9e8125591 [0,1,1,0,0,0|1,0,1]=4 2453 B13R1.149 O=C(O)COCc1cccc(c1)I f7ea48f6d055cd51fd7716c4ac46ec3e [0,1,1,0,0,0|1,0,1]=4 2454 B13R1.149 O=S(O)COCc1cccc(c1)Br 9c6200947348d3f64e9cd1c981f72da3 [0,1,1,0,0,0|2,0,0]=4 2455 B13R1.149 O=S(O)COCc1cccc(c1)Cl a610a47cbc71045265dc9c95ff9827e6 [0,1,1,0,0,0|2,0,0]=4 2456 B13R1.149 O=S(O)COCc1cccc(c1)F 052152820c4a2eae1ac35ec607cc9aca [0,1,1,0,0,0|2,0,0]=4 2457 B13R1.149 O=S(O)COCc1cccc(c1)I bbdffa3387a7f91b6e910188b2d40226 [0,1,1,0,0,0|2,0,0]=4 2458 B13R1.158 C=C(C)COCc1ccccc1Br 8ec4f24965e3dc6b78babec82ca4f3cb [0,1,1,0,0,0|1,0,1]=4 2459 B13R1.158 C=C(C)COCc1ccccc1C f61e297b233040a48972e6dc80d42969 [0,1,1,0,0,0|1,0,1]=4 2460 B13R1.158 C=C(C)COCc1ccccc1Cl 87762a3f032751881026ade211785d9c [0,1,1,0,0,0|1,0,1]=4 2461 B13R1.158 C=C(C)COCc1ccccc1F 01d218bfbe7025e2ff194ffae89f5561 [0,1,1,0,0,0|1,0,1]=4 2462 B13R1.158 C=C(C)COCc1ccccc1I cb1df010bd76325d4e303b7964267642 [0,1,1,0,0,0|1,0,1]=4 2463 B13R1.158 C=C(C)COCc1ccccc1S 3f57ef3a7bd9c460dddddb94efc22992 [0,1,1,0,0,0|1,0,1]=4 2464 B13R1.158 CC(=O)COCc1ccccc1Br 1129985f65460e4ac8fb868f27153469 [0,1,1,0,0,0|0,0,2]=4 2465 B13R1.158 CC(=O)COCc1ccccc1C 66dc454b28e1bc6d9b173c2a4a0dd827 [0,1,1,0,0,0|0,0,2]=4 2466 B13R1.158 CC(=O)COCc1ccccc1Cl c2bd2bb074f5649d83ad91f56e38734d [0,1,1,0,0,0|0,0,2]=4 2467 B13R1.158 CC(=O)COCc1ccccc1F 8f9321512c3d7ba2fa30a85774ece228 [0,1,1,0,0,0|0,0,2]=4 2468 B13R1.158 CC(=O)COCc1ccccc1I 159bbe84eb72bcd197fed907d90ab2b8 [0,1,1,0,0,0|0,0,2]=4 2469 B13R1.158 CC(C)CNCc1ccccc1Br 2d17535b24355d2c6cdee923e7f4c984 [0,1,1,0,0,0|2,0,0]=4 2470 B13R1.158 CC(C)CNCc1ccccc1Cl 20b28b20108c4bd613f67035042b910e [0,1,1,0,0,0|2,0,0]=4 2471 B13R1.158 CC(C)CNCc1ccccc1F 91d65ed1b88dd5c1a5ae856c03877a60 [0,1,1,0,0,0|2,0,0]=4 2472 B13R1.158 CC(C)CNCc1ccccc1I 1b21b5a987d32c91f0fb14ce32d11ae8 [0,1,1,0,0,0|2,0,0]=4 2473 B13R1.158 CC(C)COCc1ccc[nH]c1=O 0c8e1c5e87b4c22c6f38ca1f2ee62512 [0,1,1,0,0,0|2,0,0]=4 2474 B13R1.158 CC(C)COCc1cccc[n+]1[O-] 3441d9c50d9766a37a12b2a344a26554 [0,1,1,0,0,0|2,0,0]=4 2475 B13R1.158 CC(C)COCc1ccccc1Br 4adcb21bd966903404afa9bc641a135b [0,1,1,0,0,0|1,0,0]=3 2476 B13R1.158 CC(C)COCc1ccccc1Cl fda3346050c9328c64c0f3843f4ca8ed [0,1,1,0,0,0|1,0,0]=3 2477 B13R1.158 CC(C)COCc1ccccc1F 429d30f7e4641796b5d64c80785e9ec1 [0,1,1,0,0,0|1,0,0]=3 2478 B13R1.158 CC(C)COCc1ccccc1I ec0323607c9555babd466a01c77262c6 [0,1,1,0,0,0|1,0,0]=3 2479 B13R1.158 CC(C)COCc1ccccc1S 14a5b7cb6a7179e4040a572b2e57b298 [0,1,1,0,0,0|1,0,0]=3 2480 B13R1.158 CC(C)COCc1cccnc1Br 873827c77df96758b3af78b9d5e03f73 [0,1,1,0,0,0|2,0,0]=4 2481 B13R1.158 CC(C)COCc1cccnc1Cl ab998e1f7dc90aeb3609be30ca0ae9fd [0,1,1,0,0,0|2,0,0]=4 2482 B13R1.158 CC(C)COCc1cccnc1F 3b1c0cabbc891655c45d16e87cbda0ea [0,1,1,0,0,0|2,0,0]=4 2483 B13R1.158 CC(C)COCc1ccncc1Br f34a551b401a52df092d84703dc002f0 [0,1,1,0,0,0|2,0,0]=4 2484 B13R1.158 CC(C)COCc1ccncc1Cl 0269fd678dc9009d3a13702e1d8025ce [0,1,1,0,0,0|2,0,0]=4 2485 B13R1.158 CC(C)COCc1ccncc1F e7b6f8e0ee7ec6f8fdc15272ebfb0ff7 [0,1,1,0,0,0|2,0,0]=4 2486 B13R1.158 CC(C)COCc1ccncc1I d0f4b32b83c4ae1db102a82f364566a1 [0,1,1,0,0,0|2,0,0]=4 2487 B13R1.158 CC(C)COCc1cnccc1Br c82b85c64033ab06cb9044ab9be91c45 [0,1,1,0,0,0|2,0,0]=4 2488 B13R1.158 CC(C)COCc1cnccc1Cl 0f822aa9f13d5a35d0db0c25a2c54faa [0,1,1,0,0,0|2,0,0]=4 2489 B13R1.158 CC(C)COCc1cnccc1F 8d2a6b8b40011e0fb0fa2fe1663c2498 [0,1,1,0,0,0|2,0,0]=4 2490 B13R1.158 CC(C)COCc1ncccc1Br d146a39c530e2dee6d18b1dd3eac3274 [0,1,1,0,0,0|2,0,0]=4 2491 B13R1.158 CC(C)COCc1ncccc1Cl 889dcb259cb4b26b323c6bcfff69461f [0,1,1,0,0,0|2,0,0]=4 2492 B13R1.158 CC(C)COCc1ncccc1F f98a5aad8c49c4f41702de005b09e6a1 [0,1,1,0,0,0|2,0,0]=4 2493 B13R1.158 CC(F)COCc1cccc[n+]1[O-] a2f311b74988180015bb8b5a4068ec07 [0,1,1,0,0,0|2,0,0]=4 2494 B13R1.158 CC(F)COCc1ccccc1Cl 1b3d653936bf5c67f9d7549723f4a292 [0,1,1,0,0,0|1,0,0]=3 2495 B13R1.158 CC(F)COCc1ccccc1F b43529feebae94582cfeedcb7e2dced0 [0,1,1,0,0,0|1,0,0]=3 2496 B13R1.158 CC(F)COCc1ccccc1I 5d5299f22c1739107a321ccbb66d9105 [0,1,1,0,0,0|1,0,0]=3 2497 B13R1.158 CC(F)COCc1cccnc1Br 1488697be67ebd3b568bdee017f32a04 [0,1,1,0,0,0|2,0,0]=4 2498 B13R1.158 CC(F)COCc1cccnc1Cl c51c95244919a1b785a34a65a5d0705b [0,1,1,0,0,0|2,0,0]=4 2499 B13R1.158 CC(F)COCc1cccnc1F b8a9b6c58a7ab10b3e08ec43eef3454e [0,1,1,0,0,0|2,0,0]=4 2500 B13R1.158 CC(F)COCc1ccncc1Cl 529f030f7ecb051867cd104cdb309333 [0,1,1,0,0,0|2,0,0]=4 2501 B13R1.158 CC(F)COCc1ccncc1F ccea2ff556d6595aaa759409d50f1ed8 [0,1,1,0,0,0|2,0,0]=4 2502 B13R1.158 CC(F)COCc1ncccc1Br d7841d50b8051b6edec5b0c7559b3b4d [0,1,1,0,0,0|2,0,0]=4 2503 B13R1.158 CC(F)COCc1ncccc1Cl 5d8981fdf4c61aaaf38f40d008de4841 [0,1,1,0,0,0|2,0,0]=4 2504 B13R1.158 CC(F)COCc1ncccc1F fa8f867fcc43862b9b10effe1c1948ce [0,1,1,0,0,0|2,0,0]=4 2505 B13R1.158 CC(O)CCNc1ccccc1Cl c3caa9fb52a237f2ab7bac0076e96288 [0,1,1,0,0,0|2,0,0]=4 2506 B13R1.158 CC(O)CCNc1ccccc1F 91abc0ca2d0abb7476769a6adab31a1e [0,1,1,0,0,0|2,0,0]=4 2507 B13R1.158 CC(O)CCNc1ccccc1I 872391b465582e8a028662171a587c48 [0,1,1,0,0,0|2,0,0]=4 2508 B13R1.158 CC(O)CCNc1ccccc1S 33348ebda76ff1a9e90cbc1bd6e5c4a9 [0,1,1,0,0,0|2,0,0]=4 2509 B13R1.158 CC(O)CNCc1cccc[n+]1[O-] bcde407eb81fc956f4cab52b99bfa7fd [0,1,1,0,0,0|2,0,0]=4 2510 B13R1.158 CC(O)CNCc1ccccc1Br 413d3daff92f8cc55e3ba330d7c0c9e9 [0,1,1,0,0,0|1,0,0]=3 2511 B13R1.158 CC(O)CNCc1ccccc1Cl e6947468542ef26a1792e02fdee46b4a [0,1,1,0,0,0|1,0,0]=3 2512 B13R1.158 CC(O)CNCc1ccccc1F 02a3ed0a085689ca813f610238397c39 [0,1,1,0,0,0|1,0,0]=3 2513 B13R1.158 CC(O)CNCc1ccccc1I 5ad7e9d53b123e46daba5e0f5a622cc8 [0,1,1,0,0,0|1,0,0]=3 2514 B13R1.158 CC(O)CNCc1cccnc1Br de093f72bd66dc208e6093d42cf62841 [0,1,1,0,0,0|2,0,0]=4 2515 B13R1.158 CC(O)CNCc1cccnc1Cl a213eea15b2a4da69cd1df5c970c048c [0,1,1,0,0,0|2,0,0]=4 2516 B13R1.158 CC(O)CNCc1cccnc1F f581a1b87569f26f2f15891f553da557 [0,1,1,0,0,0|2,0,0]=4 2517 B13R1.158 CC(O)CNCc1ccncc1Br 0d8f875fc69c042bf652d25c4c9ac6d9 [0,1,1,0,0,0|2,0,0]=4 2518 B13R1.158 CC(O)CNCc1ccncc1Cl 157dfcbff6b83b9919c1fdf71b54ce41 [0,1,1,0,0,0|2,0,0]=4 2519 B13R1.158 CC(O)CNCc1ccncc1F 950ceea7da1533b6254108a5c5325ea3 [0,1,1,0,0,0|2,0,0]=4 2520 B13R1.158 CC(O)CNCc1ncccc1Br 5e2ff8fb15288bc3593cdb944f3c0814 [0,1,1,0,0,0|2,0,0]=4 2521 B13R1.158 CC(O)CNCc1ncccc1Cl c009ccc1356908f47db148bd279356e5 [0,1,1,0,0,0|2,0,0]=4 2522 B13R1.158 CC(O)CNCc1ncccc1F 183891a477a7ef01131cbd0be48c2dc2 [0,1,1,0,0,0|2,0,0]=4 2523 B13R1.158 CC(S)COCc1cccc[n+]1[O-] 2f210d499381b34de56fd6f3a3c73ba7 [0,1,1,0,0,0|1,1,0]=4 2524 B13R1.158 CC(S)COCc1ccccc1Br 8450876f73f6ba97083c0970b540fd7d [0,1,1,0,0,0|0,1,0]=3 2525 B13R1.158 CC(S)COCc1ccccc1Cl 785bf2e3c71cbb906fc44e0c823d71d2 [0,1,1,0,0,0|0,1,0]=3 2526 B13R1.158 CC(S)COCc1ccccc1F c1c258f29fd414dfed30e3d9e0bbf5c4 [0,1,1,0,0,0|0,1,0]=3 2527 B13R1.158 CC(S)COCc1ccccc1I b3f6f2e0ed3e18fa1d7e52610ab67194 [0,1,1,0,0,0|0,1,0]=3 2528 B13R1.158 CC(S)COCc1cccnc1Br 0dd8aea3fb99be156dcf861e88012d20 [0,1,1,0,0,0|1,1,0]=4 2529 B13R1.158 CC(S)COCc1cccnc1Cl 0a5e3f66d912d9e816f0687d579bd584 [0,1,1,0,0,0|1,1,0]=4 2530 B13R1.158 CC(S)COCc1cccnc1F ace1f6a8c095052454244ed179e9342f [0,1,1,0,0,0|1,1,0]=4 2531 B13R1.158 CC(S)COCc1ccncc1Cl f85cc509af1ff5d35783d821c68e21c2 [0,1,1,0,0,0|1,1,0]=4 2532 B13R1.158 CC(S)COCc1ccncc1F 75663f00519cadd53300bbbe94e41c58 [0,1,1,0,0,0|1,1,0]=4 2533 B13R1.158 CC(S)COCc1ncccc1Br dff87858b79867712144417cee9d6923 [0,1,1,0,0,0|1,1,0]=4 2534 B13R1.158 CC(S)COCc1ncccc1Cl 5ba3c4478278106319e404823ddcd741 [0,1,1,0,0,0|1,1,0]=4 2535 B13R1.158 CC(S)COCc1ncccc1F 2f9d7c2e17de8242597e3323e3a1a077 [0,1,1,0,0,0|1,1,0]=4 2536 B13R1.158 CN(C)COCc1ccccc1Cl bd1ef0a6dea2700f5fd64142a1ae1a99 [0,1,1,0,0,0|2,0,0]=4 2537 B13R1.158 CN(C)COCc1ccccc1F e014677bd68ee98522ae84f2871c81b0 [0,1,1,0,0,0|2,0,0]=4 2538 B13R1.158 CN(C)COCc1ccccc1I fdcaa1f779662f9c97010be91b8b9624 [0,1,1,0,0,0|2,0,0]=4 2539 B13R1.158 C[C@@H](F)COCc1cccc[n+]1[O-] d2873c07d7b753c8389e29ec8e0cc5f6 [0,1,1,0,0,0|2,0,0]=4 2540 B13R1.158 C[C@@H](F)COCc1ccccc1Cl e3fc71228144c0b967c7546ab2f57150 [0,1,1,0,0,0|1,0,0]=3 2541 B13R1.158 C[C@@H](F)COCc1ccccc1F b263a8888df53e0c4a0a9c8b7746368c [0,1,1,0,0,0|1,0,0]=3 2542 B13R1.158 C[C@@H](F)COCc1ccccc1I 5c9526e1519b9144d725a57e2610bdbc [0,1,1,0,0,0|1,0,0]=3 2543 B13R1.158 C[C@@H](F)COCc1cccnc1Br 765eb33d3b7ec711eae10a21f3bcb0af [0,1,1,0,0,0|2,0,0]=4 2544 B13R1.158 C[C@@H](F)COCc1cccnc1Cl 3dd4b1de39eafe7bf03171dfe68ac4e8 [0,1,1,0,0,0|2,0,0]=4 2545 B13R1.158 C[C@@H](F)COCc1cccnc1F 706fc0c000abce9920c359f4ef3cba79 [0,1,1,0,0,0|2,0,0]=4 2546 B13R1.158 C[C@@H](F)COCc1ccncc1Cl 551501406bbdeef79365baeb3339a09c [0,1,1,0,0,0|2,0,0]=4 2547 B13R1.158 C[C@@H](F)COCc1ccncc1F b423adc49415978fcc638c895dc478e3 [0,1,1,0,0,0|2,0,0]=4 2548 B13R1.158 C[C@@H](F)COCc1ncccc1Br 431c3a658d47adae92720fd692d7e7b5 [0,1,1,0,0,0|2,0,0]=4 2549 B13R1.158 C[C@@H](F)COCc1ncccc1Cl 6a6c57173a11f3ffa7c7b2c367bd4bec [0,1,1,0,0,0|2,0,0]=4 2550 B13R1.158 C[C@@H](F)COCc1ncccc1F dc6b58aa1b0a698fecdc886cea4991ca [0,1,1,0,0,0|2,0,0]=4 2551 B13R1.158 C[C@@H](O)CNCc1cccc[n+]1[O-] f979832b503eacf7fc0874cf58583286 [0,1,1,0,0,0|2,0,0]=4 2552 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 918f2e816c796b900847e721c06d7d73 [0,1,1,0,0,0|1,0,0]=3 2553 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl d393105c300a830d2c2bd5941489c025 [0,1,1,0,0,0|1,0,0]=3 2554 B13R1.158 C[C@@H](O)CNCc1ccccc1F 53f8822f5e5d46fd99ad188c8d247bd0 [0,1,1,0,0,0|1,0,0]=3 2555 B13R1.158 C[C@@H](O)CNCc1ccccc1I 9512361bf1a630808f7c9d278abded63 [0,1,1,0,0,0|1,0,0]=3 2556 B13R1.158 C[C@@H](O)CNCc1cccnc1Br 8059cc00834728fc69be326b3f055cbe [0,1,1,0,0,0|2,0,0]=4 2557 B13R1.158 C[C@@H](O)CNCc1cccnc1Cl d2068952f8330a432c0a815e33537cff [0,1,1,0,0,0|2,0,0]=4 2558 B13R1.158 C[C@@H](O)CNCc1cccnc1F 002a2c9c87707ffe3ca33652fcbb5fd4 [0,1,1,0,0,0|2,0,0]=4 2559 B13R1.158 C[C@@H](O)CNCc1ccncc1Br 70261a6586e38a32376348574e3d7296 [0,1,1,0,0,0|2,0,0]=4 2560 B13R1.158 C[C@@H](O)CNCc1ccncc1Cl 6ccc053f281afc052f16d2850ba50388 [0,1,1,0,0,0|2,0,0]=4 2561 B13R1.158 C[C@@H](O)CNCc1ccncc1F 301348792933246b1284eab24b24b0ef [0,1,1,0,0,0|2,0,0]=4 2562 B13R1.158 C[C@@H](O)CNCc1ncccc1Br dd6d43ebc936a4120d6302ae668ee291 [0,1,1,0,0,0|2,0,0]=4 2563 B13R1.158 C[C@@H](O)CNCc1ncccc1Cl dc3e8dd126ff51a9fd5da0e968b5fa3f [0,1,1,0,0,0|2,0,0]=4 2564 B13R1.158 C[C@@H](O)CNCc1ncccc1F 908d1f38212657b11d2559c8d070c2fd [0,1,1,0,0,0|2,0,0]=4 2565 B13R1.158 C[C@H](F)COCc1cccc[n+]1[O-] d5b6c13fe462687c9271789ce2205aed [0,1,1,0,0,0|2,0,0]=4 2566 B13R1.158 C[C@H](F)COCc1ccccc1Cl 627ea801010f0a6132b1bb4b320694aa [0,1,1,0,0,0|1,0,0]=3 2567 B13R1.158 C[C@H](F)COCc1ccccc1F 72a6b1051218c0a5766643a40e1146d0 [0,1,1,0,0,0|1,0,0]=3 2568 B13R1.158 C[C@H](F)COCc1ccccc1I d22f3864237cecaadf59342bb3450458 [0,1,1,0,0,0|1,0,0]=3 2569 B13R1.158 C[C@H](F)COCc1cccnc1Br 7156dfae31adfe4430c8a9a352cba0fb [0,1,1,0,0,0|2,0,0]=4 2570 B13R1.158 C[C@H](F)COCc1cccnc1Cl a3eed995dc97871c5d6a4ca94e3de53c [0,1,1,0,0,0|2,0,0]=4 2571 B13R1.158 C[C@H](F)COCc1cccnc1F 3527f7f13627955a25b7e00d1b60ede1 [0,1,1,0,0,0|2,0,0]=4 2572 B13R1.158 C[C@H](F)COCc1ccncc1Cl dccf39145debbf8ff8a2fb9ccb31b199 [0,1,1,0,0,0|2,0,0]=4 2573 B13R1.158 C[C@H](F)COCc1ccncc1F 8f6e67b4235620730364e4b3710cc749 [0,1,1,0,0,0|2,0,0]=4 2574 B13R1.158 C[C@H](F)COCc1ncccc1Br 6f8ea389f5182f32589c30b533917f47 [0,1,1,0,0,0|2,0,0]=4 2575 B13R1.158 C[C@H](F)COCc1ncccc1Cl 171cc62e4537a9d50685146968ffa767 [0,1,1,0,0,0|2,0,0]=4 2576 B13R1.158 C[C@H](F)COCc1ncccc1F d5f13001840bb97684deed5d22aad333 [0,1,1,0,0,0|2,0,0]=4 2577 B13R1.158 C[C@H](O)CNCc1cccc[n+]1[O-] 192dbb1fe7e60c78d329d431164a31aa [0,1,1,0,0,0|2,0,0]=4 2578 B13R1.158 C[C@H](O)CNCc1ccccc1Br 6a65bc5095f2709be035b09e34b2272c [0,1,1,0,0,0|1,0,0]=3 2579 B13R1.158 C[C@H](O)CNCc1ccccc1Cl 9d127214782c796d8ca132e8650e2d99 [0,1,1,0,0,0|1,0,0]=3 2580 B13R1.158 C[C@H](O)CNCc1ccccc1F 10fff265b9422777ceba5d323c936a7c [0,1,1,0,0,0|1,0,0]=3 2581 B13R1.158 C[C@H](O)CNCc1ccccc1I 484524c8d5c927635712b8636cdcbd24 [0,1,1,0,0,0|1,0,0]=3 2582 B13R1.158 C[C@H](O)CNCc1cccnc1Br b4eb884f9e845d511745b04fdb153847 [0,1,1,0,0,0|2,0,0]=4 2583 B13R1.158 C[C@H](O)CNCc1cccnc1Cl e63ea9679e4d4be6e2c0db18e996ce90 [0,1,1,0,0,0|2,0,0]=4 2584 B13R1.158 C[C@H](O)CNCc1cccnc1F bc19a189f4f322c10a6ead3c9dc1047a [0,1,1,0,0,0|2,0,0]=4 2585 B13R1.158 C[C@H](O)CNCc1ccncc1Br 5d0c45de098b57fe18e240c2271465f2 [0,1,1,0,0,0|2,0,0]=4 2586 B13R1.158 C[C@H](O)CNCc1ccncc1Cl 0b6aff78f2025b1b48466318c5f79686 [0,1,1,0,0,0|2,0,0]=4 2587 B13R1.158 C[C@H](O)CNCc1ccncc1F 4dd6da8208598f4cd5dbd7727a3d18f2 [0,1,1,0,0,0|2,0,0]=4 2588 B13R1.158 C[C@H](O)CNCc1ncccc1Br 4d6b749f1e1ea57fb9d3101cf6e1b4a3 [0,1,1,0,0,0|2,0,0]=4 2589 B13R1.158 C[C@H](O)CNCc1ncccc1Cl 27e806d61796b5759ae79eeae85c34e5 [0,1,1,0,0,0|2,0,0]=4 2590 B13R1.158 C[C@H](O)CNCc1ncccc1F dd45db9ee726c98a8ad839380249d521 [0,1,1,0,0,0|2,0,0]=4 2591 B13R1.158 Cc1ccccc1CNCC(C)C 8923d146fea180171fbbc22f54e50329 [0,1,1,0,0,0|2,0,0]=4 2592 B13R1.158 Cc1ccccc1CNCC(C)O 24a1e00122948f4da8d69d82b9b639a5 [0,1,1,0,0,0|1,0,0]=3 2593 B13R1.158 Cc1ccccc1CNC[C@@H](C)O 52fc843ce37f1d0b378a7a5e61d220c9 [0,1,1,0,0,0|1,0,0]=3 2594 B13R1.158 Cc1ccccc1CNC[C@H](C)O 7c0183b09c2e0d7e8dbe09dee18a1496 [0,1,1,0,0,0|1,0,0]=3 2595 B13R1.158 Cc1ccccc1COCC(C)C dc70d5f79c73bb88303f800f663117bf [0,1,1,0,0,0|1,0,0]=3 2596 B13R1.158 Cc1ccccc1COCC(C)F 88573ad4ea126ea328a72a6d66cea4c5 [0,1,1,0,0,0|1,0,0]=3 2597 B13R1.158 Cc1ccccc1COCC(C)S 70af1bbc55f9dac612c5d08391e01342 [0,1,1,0,0,0|0,1,0]=3 2598 B13R1.158 Cc1ccccc1COCC(F)F 3c5eb3398b2897e89269cc44031c42ae [0,1,1,0,0,0|2,0,0]=4 2599 B13R1.158 Cc1ccccc1COCS(=O)O 3f9a3df5a0793f0d55d48902684b60b1 [0,1,1,0,0,0|2,0,0]=4 2600 B13R1.158 Cc1ccccc1COC[C@@H](C)F 98d22dc69e8c1426fd8aef1c7200de89 [0,1,1,0,0,0|1,0,0]=3 2601 B13R1.158 Cc1ccccc1COC[C@H](C)F b3b166dd5575bc4285c4b0d3ce2612de [0,1,1,0,0,0|1,0,0]=3 2602 B13R1.158 Cc1ccccc1NCCC(C)O e4ff0c3f8869d01a30465c8bacb6a274 [0,1,1,0,0,0|2,0,0]=4 2603 B13R1.158 Cc1cccnc1CNCC(C)O be002e6a4eff8b7153a51875772a1b3e [0,1,1,0,0,0|2,0,0]=4 2604 B13R1.158 Cc1cccnc1CNC[C@@H](C)O 0ac0403799c45aeeb1f980bdb2283160 [0,1,1,0,0,0|2,0,0]=4 2605 B13R1.158 Cc1cccnc1CNC[C@H](C)O bfbf897c9abce76673f6bf919125db4c [0,1,1,0,0,0|2,0,0]=4 2606 B13R1.158 Cc1cccnc1COCC(C)C d739b9eb912b78f4420dad3197bda277 [0,1,1,0,0,0|2,0,0]=4 2607 B13R1.158 Cc1cccnc1COCC(C)F c0d6e9b2d9f2a48cd5f99c97cb56c395 [0,1,1,0,0,0|2,0,0]=4 2608 B13R1.158 Cc1cccnc1COCC(C)S 4b556fe1817ceabbd7371ec6dd128b1a [0,1,1,0,0,0|1,1,0]=4 2609 B13R1.158 Cc1cccnc1COC[C@@H](C)F 911cd42f4cd4daad8d2296bc2d305f84 [0,1,1,0,0,0|2,0,0]=4 2610 B13R1.158 Cc1cccnc1COC[C@H](C)F 2005f83344bf2e067eaa26e54be65aa8 [0,1,1,0,0,0|2,0,0]=4 2611 B13R1.158 Cc1ccncc1CNCC(C)O 0ab10a10bfd637c8cddb415dbeadedf1 [0,1,1,0,0,0|2,0,0]=4 2612 B13R1.158 Cc1ccncc1CNC[C@H](C)O a72ef87669cee94b36ab92c8228dc575 [0,1,1,0,0,0|2,0,0]=4 2613 B13R1.158 Cc1ccncc1COCC(C)C dc25dbd4a30441eaadb6f28cd7b3e69e [0,1,1,0,0,0|2,0,0]=4 2614 B13R1.158 Cc1cnccc1CNCC(C)O 9ae14f090b736663a6d31d522009ded3 [0,1,1,0,0,0|2,0,0]=4 2615 B13R1.158 Cc1cnccc1CNC[C@@H](C)O ea58491149ac59b6531dbabff1c4dbb1 [0,1,1,0,0,0|2,0,0]=4 2616 B13R1.158 Cc1cnccc1CNC[C@H](C)O c74a2154485f3c3f4f4bca85403775a1 [0,1,1,0,0,0|2,0,0]=4 2617 B13R1.158 Cc1cnccc1COCC(C)C a87f5b5012e9f85150fc60efa4792805 [0,1,1,0,0,0|2,0,0]=4 2618 B13R1.158 Cc1ncccc1CNCC(C)O 583daea5fc76fa1f81131d95414264e1 [0,1,1,0,0,0|2,0,0]=4 2619 B13R1.158 Cc1ncccc1CNC[C@@H](C)O 6809c338e7aac8370c76c2ae8dfd9602 [0,1,1,0,0,0|2,0,0]=4 2620 B13R1.158 Cc1ncccc1CNC[C@H](C)O 64e4a721b2f39a1927ef1b7a7dd78ecc [0,1,1,0,0,0|2,0,0]=4 2621 B13R1.158 Cc1ncccc1COCC(C)C f60c94fb2a86e6927cb73c77b0e73901 [0,1,1,0,0,0|2,0,0]=4 2622 B13R1.158 Cc1ncccc1COCC(C)F 9895802d4c1c0f75eef3b6bd117d86e4 [0,1,1,0,0,0|2,0,0]=4 2623 B13R1.158 Cc1ncccc1COCC(C)S 46074b9d2d67371d0731e9bad7643729 [0,1,1,0,0,0|1,1,0]=4 2624 B13R1.158 Cc1ncccc1COC[C@@H](C)F 30e7560425ea68151a60191643ea8011 [0,1,1,0,0,0|2,0,0]=4 2625 B13R1.158 Cc1ncccc1COC[C@H](C)F ae624b9644d8a0b006ad0a3a6eceea75 [0,1,1,0,0,0|2,0,0]=4 2626 B13R1.158 FC(F)COCc1ccccc1Br c9c753d6ba5b870fdbfc3893f9f8371e [0,1,1,0,0,0|2,0,0]=4 2627 B13R1.158 FC(F)COCc1ccccc1Cl a0991493d4eee6ba11a470d2f8cc0c0c [0,1,1,0,0,0|2,0,0]=4 2628 B13R1.158 FC(F)COCc1ccccc1I c655a4e2331ff0f85a92c312f67d484f [0,1,1,0,0,0|2,0,0]=4 2629 B13R1.158 FC(F)COCc1ccccc1S c5ae3a5f914ffda3928e42c9f4349ab9 [0,1,1,0,0,0|2,0,0]=4 2630 B13R1.158 Fc1ccccc1COCC(F)F 294049ac334d7055995010e42bc7b7ce [0,1,1,0,0,0|2,0,0]=4 2631 B13R1.158 O=C(O)COCc1ccccc1Cl e2a271cc2025489b4e5a477437448271 [0,1,1,0,0,0|1,0,1]=4 2632 B13R1.158 O=C(O)COCc1ccccc1F ca3f92aa2a8b00b909b28b5bdc8128a8 [0,1,1,0,0,0|1,0,1]=4 2633 B13R1.158 O=C(O)COCc1ccccc1I 523e33ff41ad596cc9d17715ca33f7ca [0,1,1,0,0,0|1,0,1]=4 2634 B13R1.158 O=S(O)COCc1ccccc1Br b60d74ec32a3e1e7c8189de220e8a873 [0,1,1,0,0,0|2,0,0]=4 2635 B13R1.158 O=S(O)COCc1ccccc1Cl 6df1c4c098ae9075ea1f4219226a11b9 [0,1,1,0,0,0|2,0,0]=4 2636 B13R1.158 O=S(O)COCc1ccccc1F 2e384e7fe8917e5b9e753c35e00deb44 [0,1,1,0,0,0|2,0,0]=4 2637 B13R1.158 O=S(O)COCc1ccccc1I f6bb194f5a01c1d8fc247589abc00751 [0,1,1,0,0,0|2,0,0]=4 2638 B13R1.348 CC(C)CN(C)Cc1ccccc1 7efbff439c225b8bbd3ff90fdf6954f3 [0,1,1,0,0,0|2,0,0]=4 2639 B13R1.348 CC(O)CC(C)Nc1ccccc1 4fccbf7a7364c4fc5b879bb7ce60f08f [0,1,1,0,0,0|2,0,0]=4 2640 B13R1.348 CC(O)CN(C)Cc1ccccc1 9c4b00009d473743d0e40c91a74eb96c [0,1,1,0,0,0|1,0,0]=3 2641 B13R1.348 CC(O)CN(C)Cc1ccccn1 64c75f6f61cb35ed193473c04248c6e9 [0,1,1,0,0,0|2,0,0]=4 2642 B13R1.348 CC(O)CN(C)Cc1cccnc1 a7c2a054b77fa842f745a3b6b66b1be2 [0,1,1,0,0,0|2,0,0]=4 2643 B13R1.348 CC(O)CN(C)Cc1ccncc1 63a8f0b7eaf491010c9bc259df336d40 [0,1,1,0,0,0|2,0,0]=4 2644 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2694449cd1cea42072e3a34f5fa5cd3f [0,1,1,0,0,0|1,0,0]=3 2645 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 3e546b333fbd8a6a330355c70a1dafeb [0,1,1,0,0,0|2,0,0]=4 2646 B13R1.348 C[C@@H](O)CN(C)Cc1cccnc1 d5afcef2791e4101915cc7286aed28d2 [0,1,1,0,0,0|2,0,0]=4 2647 B13R1.348 C[C@@H](O)CN(C)Cc1ccncc1 75c02a2f4e62430b64161af18be1acca [0,1,1,0,0,0|2,0,0]=4 2648 B13R1.348 C[C@H](O)CN(C)Cc1ccccc1 6ffb63057723a6d0e84a6367b8948b24 [0,1,1,0,0,0|1,0,0]=3 2649 B13R1.348 C[C@H](O)CN(C)Cc1ccccn1 767399c33be59fda3519d030a098489c [0,1,1,0,0,0|2,0,0]=4 2650 B13R1.348 C[C@H](O)CN(C)Cc1cccnc1 0219ad66722ad8fc409fc6d491c086e9 [0,1,1,0,0,0|2,0,0]=4 2651 B13R1.348 C[C@H](O)CN(C)Cc1ccncc1 f56affe763aa6f55eeb63e95b874e473 [0,1,1,0,0,0|2,0,0]=4 2652 B13R1.513 C=C(C)COCc1ccc(cc1)Br b2a2f08801a3f4470486a463420bff16 [0,1,1,0,0,0|1,0,1]=4 2653 B13R1.513 C=C(C)COCc1ccc(cc1)C bbb202b7f953dce1a0d990b303538f41 [0,1,1,0,0,0|1,0,1]=4 2654 B13R1.513 C=C(C)COCc1ccc(cc1)Cl d327f5931effd5406d36f4e0f3434d4d [0,1,1,0,0,0|1,0,1]=4 2655 B13R1.513 C=C(C)COCc1ccc(cc1)F e144b33cd11870fb4aa349609c3dac95 [0,1,1,0,0,0|1,0,1]=4 2656 B13R1.513 C=C(C)COCc1ccc(cc1)I 21ab48df361188507bf6ab6c76da487d [0,1,1,0,0,0|1,0,1]=4 2657 B13R1.513 C=C(C)COCc1ccc(cc1)S 83e62279a19e9261e716bca162d874be [0,1,1,0,0,0|1,0,1]=4 2658 B13R1.513 CC(=O)COCc1ccc(cc1)Br 86b3d1e7121de26fad5caf48b465622f [0,1,1,0,0,0|0,0,2]=4 2659 B13R1.513 CC(=O)COCc1ccc(cc1)C 3012ed3bd6572487ba8b3d7176258bb7 [0,1,1,0,0,0|0,0,2]=4 2660 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 95da831bc2e885dcffda43db08609d12 [0,1,1,0,0,0|0,0,2]=4 2661 B13R1.513 CC(=O)COCc1ccc(cc1)F 76af687e2accd9a42a70d4f6b51e2d1f [0,1,1,0,0,0|0,0,2]=4 2662 B13R1.513 CC(=O)COCc1ccc(cc1)I 763fe567230a0274862e3c5d37e68415 [0,1,1,0,0,0|0,0,2]=4 2663 B13R1.513 CC(C)CNCc1ccc(cc1)Br ffbc0ba0e3da9728c8905d12325e28ad [0,1,1,0,0,0|2,0,0]=4 2664 B13R1.513 CC(C)CNCc1ccc(cc1)Cl f4fcf42389d4544dabeeb94c99838d94 [0,1,1,0,0,0|2,0,0]=4 2665 B13R1.513 CC(C)CNCc1ccc(cc1)F 3ea1377f35efa31543a2643a1fcca42d [0,1,1,0,0,0|2,0,0]=4 2666 B13R1.513 CC(C)CNCc1ccc(cc1)I ad25e97404f08826c6c3adb70d764949 [0,1,1,0,0,0|2,0,0]=4 2667 B13R1.513 CC(C)COCc1cc[n+](cc1)[O-] f0f33d9ea3f9fdf0aca9b441b5b57815 [0,1,1,0,0,0|2,0,0]=4 2668 B13R1.513 CC(C)COCc1ccc(cc1)Br 5292a1ed3b18b3308556bceb3d791fb2 [0,1,1,0,0,0|1,0,0]=3 2669 B13R1.513 CC(C)COCc1ccc(cc1)Cl f0da682204338127387f280dbf8942bd [0,1,1,0,0,0|1,0,0]=3 2670 B13R1.513 CC(C)COCc1ccc(cc1)F 540dcbd5e2b913754559aac4ec30900c [0,1,1,0,0,0|1,0,0]=3 2671 B13R1.513 CC(C)COCc1ccc(cc1)I ca3bb0ea17020b83af103d87fe2c8226 [0,1,1,0,0,0|1,0,0]=3 2672 B13R1.513 CC(C)COCc1ccc(cc1)S faccb702cd35f180d2ab3310f670a637 [0,1,1,0,0,0|1,0,0]=3 2673 B13R1.513 CC(C)COCc1ccc(cn1)Br a83b9de7c29b92c37d4d61b1fe54fe9d [0,1,1,0,0,0|2,0,0]=4 2674 B13R1.513 CC(C)COCc1ccc(cn1)Cl f4a8a510519725c40b1dfafa76da7370 [0,1,1,0,0,0|2,0,0]=4 2675 B13R1.513 CC(C)COCc1ccc(cn1)F 78272c2f0e23f4b74b2f10e15d20643b [0,1,1,0,0,0|2,0,0]=4 2676 B13R1.513 CC(C)COCc1ccc(cn1)I 96143d9d4d22ef294a19ecb967564534 [0,1,1,0,0,0|2,0,0]=4 2677 B13R1.513 CC(C)COCc1ccc(nc1)Br 971ba4414239f2699132c5115e31de48 [0,1,1,0,0,0|2,0,0]=4 2678 B13R1.513 CC(C)COCc1ccc(nc1)Cl 4ee1f9cb6d3a1d34a9da14404c5ea5dc [0,1,1,0,0,0|2,0,0]=4 2679 B13R1.513 CC(C)COCc1ccc(nc1)F 98f6d4eafe54fb1ecd3613fcc32beeae [0,1,1,0,0,0|2,0,0]=4 2680 B13R1.513 CC(F)COCc1ccc(cc1)Br 5f508bacf1198b0073459e754b43b84d [0,1,1,0,0,0|1,0,0]=3 2681 B13R1.513 CC(F)COCc1ccc(cc1)Cl 7b7d7f12cbe8112cf9538bd1912c6583 [0,1,1,0,0,0|1,0,0]=3 2682 B13R1.513 CC(F)COCc1ccc(cc1)F 0e818147af5381c33dbb24e191f0611d [0,1,1,0,0,0|1,0,0]=3 2683 B13R1.513 CC(F)COCc1ccc(cc1)I 7c26b10bea866f7c9fe5ab3a6b4e7afd [0,1,1,0,0,0|1,0,0]=3 2684 B13R1.513 CC(F)COCc1ccc(cn1)Br d6beb6129ebe8ae2b3d4706fba643103 [0,1,1,0,0,0|2,0,0]=4 2685 B13R1.513 CC(F)COCc1ccc(cn1)Cl b9dcc5fea3c8e6e49a0fbe195c3fe34e [0,1,1,0,0,0|2,0,0]=4 2686 B13R1.513 CC(F)COCc1ccc(cn1)F 822be92c2c79d294b8cabfe475079fa8 [0,1,1,0,0,0|2,0,0]=4 2687 B13R1.513 CC(F)COCc1ccc(nc1)Br 8f1da67feae8edba33a04949fa586608 [0,1,1,0,0,0|2,0,0]=4 2688 B13R1.513 CC(F)COCc1ccc(nc1)Cl 1044cd385b01a02c6a86735922ec9194 [0,1,1,0,0,0|2,0,0]=4 2689 B13R1.513 CC(F)COCc1ccc(nc1)F dd8c0af1d53e1b67d47c3cecf8e56770 [0,1,1,0,0,0|2,0,0]=4 2690 B13R1.513 CC(O)CCNc1ccc(cc1)Br 1442e47fd064eb5543d195289f3d1903 [0,1,1,0,0,0|2,0,0]=4 2691 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2dc30cde19b31ab789c1c8ccaee179b0 [0,1,1,0,0,0|2,0,0]=4 2692 B13R1.513 CC(O)CCNc1ccc(cc1)F 61b6ecdf1393e175e301982512131b7e [0,1,1,0,0,0|2,0,0]=4 2693 B13R1.513 CC(O)CCNc1ccc(cc1)I a76f9b96360d2a58239c236f579053c5 [0,1,1,0,0,0|2,0,0]=4 2694 B13R1.513 CC(O)CCNc1ccc(cc1)S 733d0e80ec30c111c98df0cd09620503 [0,1,1,0,0,0|2,0,0]=4 2695 B13R1.513 CC(O)CNCc1ccc(=O)[nH]c1 57cf2d5c42f47ca2c88826d87840776c [0,1,1,0,0,0|2,0,0]=4 2696 B13R1.513 CC(O)CNCc1ccc(cc1)Br 6014f2501e287750b2918f60d68b19d8 [0,1,1,0,0,0|1,0,0]=3 2697 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 45af81d8e1ac236ee5c26d9cbdbe5fa5 [0,1,1,0,0,0|1,0,0]=3 2698 B13R1.513 CC(O)CNCc1ccc(cc1)F bd60b73c7d567ebe8807120d9ac91269 [0,1,1,0,0,0|1,0,0]=3 2699 B13R1.513 CC(O)CNCc1ccc(cc1)I 6e15796e35153de1ed966d5fb1cfa05a [0,1,1,0,0,0|1,0,0]=3 2700 B13R1.513 CC(O)CNCc1ccc(cn1)Br a0f9af82825ddb0ca52a1cffc8bbda97 [0,1,1,0,0,0|2,0,0]=4 2701 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 8a44950de603c82ca0a17b1b173f6644 [0,1,1,0,0,0|2,0,0]=4 2702 B13R1.513 CC(O)CNCc1ccc(cn1)F 384add95c05de3f3795858e266535251 [0,1,1,0,0,0|2,0,0]=4 2703 B13R1.513 CC(O)CNCc1ccc(nc1)Br 9475bfc1e6b157eb1ebc2e8e93f975ce [0,1,1,0,0,0|2,0,0]=4 2704 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 638c04e641575c91d38519c9afef746a [0,1,1,0,0,0|2,0,0]=4 2705 B13R1.513 CC(O)CNCc1ccc(nc1)F 3bac30ba9b2801070fa3372b2394e6cf [0,1,1,0,0,0|2,0,0]=4 2706 B13R1.513 CC(S)COCc1ccc(cc1)Br 4d36a0d25e6bdf21126cd5f2bf61601b [0,1,1,0,0,0|0,1,0]=3 2707 B13R1.513 CC(S)COCc1ccc(cc1)Cl dfbdc7f6dcea0d256995f8993ac74a66 [0,1,1,0,0,0|0,1,0]=3 2708 B13R1.513 CC(S)COCc1ccc(cc1)F 1c704cb404e5c7176daabcf94cce0deb [0,1,1,0,0,0|0,1,0]=3 2709 B13R1.513 CC(S)COCc1ccc(cc1)I b891d5c46729ed8d98de866894c35c26 [0,1,1,0,0,0|0,1,0]=3 2710 B13R1.513 CC(S)COCc1ccc(cn1)Br 6d46c4df007e4b64bd00a52571ac55a6 [0,1,1,0,0,0|1,1,0]=4 2711 B13R1.513 CC(S)COCc1ccc(cn1)Cl 96c3f6a58b3b25c1cd4605ec6a3db273 [0,1,1,0,0,0|1,1,0]=4 2712 B13R1.513 CC(S)COCc1ccc(cn1)F 7be52581ed371e7ca2e8b401a9c38a5e [0,1,1,0,0,0|1,1,0]=4 2713 B13R1.513 CC(S)COCc1ccc(nc1)Br 6aebd8c7650e8f458cca06dec40bbff8 [0,1,1,0,0,0|1,1,0]=4 2714 B13R1.513 CC(S)COCc1ccc(nc1)Cl ccf163be55438ea728e1ee44bcd5fbf3 [0,1,1,0,0,0|1,1,0]=4 2715 B13R1.513 CC(S)COCc1ccc(nc1)F 193b4eb460de6e4625d9dac4ed1d135a [0,1,1,0,0,0|1,1,0]=4 2716 B13R1.513 CN(C)COCc1ccc(cc1)Br 5af75e0de68d133d2c89d6dd32901f42 [0,1,1,0,0,0|2,0,0]=4 2717 B13R1.513 CN(C)COCc1ccc(cc1)Cl b4534e7e6a25c9b61def830aa0a52a19 [0,1,1,0,0,0|2,0,0]=4 2718 B13R1.513 CN(C)COCc1ccc(cc1)F b58f014311762040121edcccace7f83c [0,1,1,0,0,0|2,0,0]=4 2719 B13R1.513 CN(C)COCc1ccc(cc1)I 001caf1f7a45380ccb7439122e9c1a27 [0,1,1,0,0,0|2,0,0]=4 2720 B13R1.513 CN(C)COCc1ccc(cc1)S 2b9d6efd58a6eeee93da25ce86fc180a [0,1,1,0,0,0|2,0,0]=4 2721 B13R1.513 C[C@@H](F)COCc1ccc(cc1)Br ab4a6d0128969159c3cb57587eb2de16 [0,1,1,0,0,0|1,0,0]=3 2722 B13R1.513 C[C@@H](F)COCc1ccc(cc1)Cl f34dffc1f8fcacb5a6f0a0048410b236 [0,1,1,0,0,0|1,0,0]=3 2723 B13R1.513 C[C@@H](F)COCc1ccc(cc1)F 782ce892e1e04b19896fe1aa34894dcd [0,1,1,0,0,0|1,0,0]=3 2724 B13R1.513 C[C@@H](F)COCc1ccc(cc1)I 4709dd820f228da437d65729804fa311 [0,1,1,0,0,0|1,0,0]=3 2725 B13R1.513 C[C@@H](F)COCc1ccc(cn1)Br 8c0f1e7497fe72cf047c925c9926dd5f [0,1,1,0,0,0|2,0,0]=4 2726 B13R1.513 C[C@@H](F)COCc1ccc(cn1)Cl f73059196256851e520781df2dc35244 [0,1,1,0,0,0|2,0,0]=4 2727 B13R1.513 C[C@@H](F)COCc1ccc(cn1)F f917f302b41986976a2fac452bc4c493 [0,1,1,0,0,0|2,0,0]=4 2728 B13R1.513 C[C@@H](F)COCc1ccc(nc1)Br 160bb13da85c94668144c8b2c1a11ba6 [0,1,1,0,0,0|2,0,0]=4 2729 B13R1.513 C[C@@H](F)COCc1ccc(nc1)Cl cc10c871128808e29ccae3816e33bf5e [0,1,1,0,0,0|2,0,0]=4 2730 B13R1.513 C[C@@H](F)COCc1ccc(nc1)F 7d3acda6907efe98ed639d01fc3d04b9 [0,1,1,0,0,0|2,0,0]=4 2731 B13R1.513 C[C@@H](O)CCNc1ccc(cc1)S c7275fc0231a05c7795a14d258a546d6 [0,1,1,0,0,0|2,0,0]=4 2732 B13R1.513 C[C@@H](O)CNCc1ccc(=O)[nH]c1 36a7a2ddbd88b2569e3d0e8f6cc1ff1f [0,1,1,0,0,0|2,0,0]=4 2733 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 60b8b6c62e2e2aa0eb51be7df1b02616 [0,1,1,0,0,0|1,0,0]=3 2734 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl dbd91e287f48eea4ac9af185c4d54533 [0,1,1,0,0,0|1,0,0]=3 2735 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F c00494c3b2da864cd2e7d87821ce8d36 [0,1,1,0,0,0|1,0,0]=3 2736 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I fec06ec0830490f80cc803a69a1384d0 [0,1,1,0,0,0|1,0,0]=3 2737 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Br 3e2e67a4da2574b58b6167cec19d7d1c [0,1,1,0,0,0|2,0,0]=4 2738 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Cl 3fe1192fcb215e9965ff3f2266fb5503 [0,1,1,0,0,0|2,0,0]=4 2739 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)F c8477ac2ce9cdb8fc6c787d3c9526469 [0,1,1,0,0,0|2,0,0]=4 2740 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Br 54e113445fb3da782d7c93bfb1fab7d2 [0,1,1,0,0,0|2,0,0]=4 2741 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Cl b11f163eabb8b698b545cbb9ae9599ea [0,1,1,0,0,0|2,0,0]=4 2742 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)F ed63bf09704e7c51898dbe9bc7d01076 [0,1,1,0,0,0|2,0,0]=4 2743 B13R1.513 C[C@H](F)COCc1ccc(cc1)Br 3713a3ced03092cace31c97540af9c05 [0,1,1,0,0,0|1,0,0]=3 2744 B13R1.513 C[C@H](F)COCc1ccc(cc1)Cl 1bcec87017c0f95b87b1f4d9a266618a [0,1,1,0,0,0|1,0,0]=3 2745 B13R1.513 C[C@H](F)COCc1ccc(cc1)F 706ab049bab5d17f3828bca88b1ef17f [0,1,1,0,0,0|1,0,0]=3 2746 B13R1.513 C[C@H](F)COCc1ccc(cc1)I 334df28f957db9e7e1995579c14f59db [0,1,1,0,0,0|1,0,0]=3 2747 B13R1.513 C[C@H](F)COCc1ccc(cn1)Br 2c0ba8afde1fcc2f6b2003abdaa71469 [0,1,1,0,0,0|2,0,0]=4 2748 B13R1.513 C[C@H](F)COCc1ccc(cn1)Cl 23fd44ea1ae53a68258dc6837ce13e4f [0,1,1,0,0,0|2,0,0]=4 2749 B13R1.513 C[C@H](F)COCc1ccc(cn1)F 39db880d7d275f2532876ed29e68f8ba [0,1,1,0,0,0|2,0,0]=4 2750 B13R1.513 C[C@H](F)COCc1ccc(nc1)Br 5b7664a7b44f4d10df49412ab731e4ac [0,1,1,0,0,0|2,0,0]=4 2751 B13R1.513 C[C@H](F)COCc1ccc(nc1)Cl e5588e3d9bc9e53e3468af2459ca79fe [0,1,1,0,0,0|2,0,0]=4 2752 B13R1.513 C[C@H](F)COCc1ccc(nc1)F 9e007b9265e2706da0d8c3df5daa8359 [0,1,1,0,0,0|2,0,0]=4 2753 B13R1.513 C[C@H](O)CCNc1ccc(cc1)S 0009e3240ab4172d8cc838f7ae8b0a4e [0,1,1,0,0,0|2,0,0]=4 2754 B13R1.513 C[C@H](O)CNCc1ccc(=O)[nH]c1 23694026a195df96feab1e9805d6220a [0,1,1,0,0,0|2,0,0]=4 2755 B13R1.513 C[C@H](O)CNCc1ccc(cc1)Br 8b5a3e07b63f385f1253805025829f61 [0,1,1,0,0,0|1,0,0]=3 2756 B13R1.513 C[C@H](O)CNCc1ccc(cc1)Cl a807b1188b0e036b83306086b654fbf1 [0,1,1,0,0,0|1,0,0]=3 2757 B13R1.513 C[C@H](O)CNCc1ccc(cc1)F 856d877eb26ba8c25e36011c9943cd64 [0,1,1,0,0,0|1,0,0]=3 2758 B13R1.513 C[C@H](O)CNCc1ccc(cc1)I d843bf5949de18be607cd3b8d1acf729 [0,1,1,0,0,0|1,0,0]=3 2759 B13R1.513 C[C@H](O)CNCc1ccc(cn1)Br a6400e5c8296c72453c6d5d61ee7fbf1 [0,1,1,0,0,0|2,0,0]=4 2760 B13R1.513 C[C@H](O)CNCc1ccc(cn1)Cl c973a842a65e8f7efedf457856caa4db [0,1,1,0,0,0|2,0,0]=4 2761 B13R1.513 C[C@H](O)CNCc1ccc(cn1)F 49d52babb8179c0b86c7f76a6660d94b [0,1,1,0,0,0|2,0,0]=4 2762 B13R1.513 C[C@H](O)CNCc1ccc(nc1)Br 12f948a11988fe58bd2b4d1ce904051c [0,1,1,0,0,0|2,0,0]=4 2763 B13R1.513 C[C@H](O)CNCc1ccc(nc1)Cl 35ddab2ed3fe693bae671cc6074d4e41 [0,1,1,0,0,0|2,0,0]=4 2764 B13R1.513 C[C@H](O)CNCc1ccc(nc1)F 087a42c3fe4cc59a9d1bc76aba498859 [0,1,1,0,0,0|2,0,0]=4 2765 B13R1.513 Cc1ccc(cc1)CNCC(C)C 8007373e36ed399b3c91ab60c1eddd1e [0,1,1,0,0,0|2,0,0]=4 2766 B13R1.513 Cc1ccc(cc1)CNCC(C)O 4850723ba861dc5e09f536a03090346b [0,1,1,0,0,0|1,0,0]=3 2767 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 7b28e33f9a7e2556c34b07317877c47d [0,1,1,0,0,0|1,0,0]=3 2768 B13R1.513 Cc1ccc(cc1)CNC[C@H](C)O f439c46b5159844a576401007fd2b3b4 [0,1,1,0,0,0|1,0,0]=3 2769 B13R1.513 Cc1ccc(cc1)COCC(=O)O 5605622eeb68658b6116d89ce68c587a [0,1,1,0,0,0|1,0,1]=4 2770 B13R1.513 Cc1ccc(cc1)COCC(C)C fef2e1b898316f09dabe51f30ed565c5 [0,1,1,0,0,0|1,0,0]=3 2771 B13R1.513 Cc1ccc(cc1)COCC(C)F aa0e37c5a5420893838d9eadb51e26d3 [0,1,1,0,0,0|1,0,0]=3 2772 B13R1.513 Cc1ccc(cc1)COCC(C)S 3fa9881d4f8749958676822017cc12ee [0,1,1,0,0,0|0,1,0]=3 2773 B13R1.513 Cc1ccc(cc1)COCC(F)F 377177b87b829ffdb2472c5eaa7c9e03 [0,1,1,0,0,0|2,0,0]=4 2774 B13R1.513 Cc1ccc(cc1)COCN(C)C 8d78d95a75bc0de1edc88c493240435b [0,1,1,0,0,0|2,0,0]=4 2775 B13R1.513 Cc1ccc(cc1)COCS(=O)O 3ca2fe698dd77cf0ae1989ed73ce48e1 [0,1,1,0,0,0|2,0,0]=4 2776 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)F 4f72db0ccfb0de1aaa15e2932ddb45f6 [0,1,1,0,0,0|1,0,0]=3 2777 B13R1.513 Cc1ccc(cc1)COC[C@H](C)F 1d45633efe4ea071353d30816f23db7d [0,1,1,0,0,0|1,0,0]=3 2778 B13R1.513 Cc1ccc(cc1)NCCC(C)O 162c440e82e2ad8ba1870e40632031ad [0,1,1,0,0,0|2,0,0]=4 2779 B13R1.513 Cc1ccc(cc1)NCC[C@@H](C)O 7ffa52480a33aa7d77fa22728757bcfd [0,1,1,0,0,0|2,0,0]=4 2780 B13R1.513 Cc1ccc(cc1)NCC[C@H](C)O 27ac2dea21e6f5dcefbf2a9361ded200 [0,1,1,0,0,0|2,0,0]=4 2781 B13R1.513 Cc1ccc(cn1)CNCC(C)O b6491d334b939fb961484dcb7e535652 [0,1,1,0,0,0|2,0,0]=4 2782 B13R1.513 Cc1ccc(cn1)CNC[C@@H](C)O dd71c2e4f577cad2929dacf1abf636af [0,1,1,0,0,0|2,0,0]=4 2783 B13R1.513 Cc1ccc(cn1)CNC[C@H](C)O 4bc2d7f42a4fab8ac1b87ca43fac2418 [0,1,1,0,0,0|2,0,0]=4 2784 B13R1.513 Cc1ccc(cn1)COCC(C)C 13f3f581cf8554d78eeffdb69b5d860d [0,1,1,0,0,0|2,0,0]=4 2785 B13R1.513 Cc1ccc(cn1)COCC(C)F 5f9a16d9e52d0af3c0f5981f4b6f2016 [0,1,1,0,0,0|2,0,0]=4 2786 B13R1.513 Cc1ccc(cn1)COCC(C)S 0ba89c0cfe080c1b538bb59fb5235b0d [0,1,1,0,0,0|1,1,0]=4 2787 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)F bcd5c036c5aabaad80fdc2c9cac5d201 [0,1,1,0,0,0|2,0,0]=4 2788 B13R1.513 Cc1ccc(cn1)COC[C@H](C)F e8f303db9148faf3a90fdaa1cfe4b58c [0,1,1,0,0,0|2,0,0]=4 2789 B13R1.513 Cc1ccc(nc1)CNCC(C)O 07750fa85b0cf12b949c50e4de3c6e38 [0,1,1,0,0,0|2,0,0]=4 2790 B13R1.513 Cc1ccc(nc1)CNC[C@@H](C)O 14f473976f36516c93902eff6d86e2c1 [0,1,1,0,0,0|2,0,0]=4 2791 B13R1.513 Cc1ccc(nc1)CNC[C@H](C)O 3d66ad78fdd3d86050c4f2282dac2fad [0,1,1,0,0,0|2,0,0]=4 2792 B13R1.513 Cc1ccc(nc1)COCC(C)C 0092d6d52e863756f85726cd722ea68b [0,1,1,0,0,0|2,0,0]=4 2793 B13R1.513 Cc1ccc(nc1)COCC(C)F 553b9a97bbc1050603b68e56d0fbf8fa [0,1,1,0,0,0|2,0,0]=4 2794 B13R1.513 Cc1ccc(nc1)COCC(C)S 6f4d5d3a36660deb6673622e003d037e [0,1,1,0,0,0|1,1,0]=4 2795 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)F 80bca922787a9b224cc429e5b9a8947e [0,1,1,0,0,0|2,0,0]=4 2796 B13R1.513 Cc1ccc(nc1)COC[C@H](C)F 0267868343069263bf2dde5a789b1b4e [0,1,1,0,0,0|2,0,0]=4 2797 B13R1.513 FC(F)COCc1ccc(cc1)Br 6c859892983538f49ecdbac4c160f7bb [0,1,1,0,0,0|2,0,0]=4 2798 B13R1.513 FC(F)COCc1ccc(cc1)Cl 22de692eb217c9e4252db8a4cf6ace2e [0,1,1,0,0,0|2,0,0]=4 2799 B13R1.513 FC(F)COCc1ccc(cc1)I 5aef593e62563358e2718adf9a1e465f [0,1,1,0,0,0|2,0,0]=4 2800 B13R1.513 FC(F)COCc1ccc(cc1)S c0f61d6fbe3ad7f8d3b54967d13ccd26 [0,1,1,0,0,0|2,0,0]=4 2801 B13R1.513 Fc1ccc(cc1)COCC(F)F 9324f5bf631db417be5ccd5ead2c642f [0,1,1,0,0,0|2,0,0]=4 2802 B13R1.513 O=C(O)COCc1ccc(cc1)Br 90f73b1de5f1abac695bc485319ae552 [0,1,1,0,0,0|1,0,1]=4 2803 B13R1.513 O=C(O)COCc1ccc(cc1)Cl baf26ed161507fd9e120740c40244324 [0,1,1,0,0,0|1,0,1]=4 2804 B13R1.513 O=C(O)COCc1ccc(cc1)F c74bedb19df3d0b6d6bd5a32cda226aa [0,1,1,0,0,0|1,0,1]=4 2805 B13R1.513 O=C(O)COCc1ccc(cc1)I f440337f2985a702586fa6f7e214550e [0,1,1,0,0,0|1,0,1]=4 2806 B13R1.513 O=C(O)COCc1ccc(cc1)S dcf435ea6cafc60379d421cd3a58279a [0,1,1,0,0,0|1,0,1]=4 2807 B13R1.513 O=S(O)COCc1ccc(cc1)Br 07666762c481193269a032212a322060 [0,1,1,0,0,0|2,0,0]=4 2808 B13R1.513 O=S(O)COCc1ccc(cc1)Cl e2b417014146dbdfeb0b5843178e4c8e [0,1,1,0,0,0|2,0,0]=4 2809 B13R1.513 O=S(O)COCc1ccc(cc1)F f8006e9fbe2f0473b0d7cec2e466d04f [0,1,1,0,0,0|2,0,0]=4 2810 B13R1.513 O=S(O)COCc1ccc(cc1)I f53b455b1e532cac3472321f4f0e7351 [0,1,1,0,0,0|2,0,0]=4 2811 B13R1.718 BrCC(Br)CNCc1ccccc1 b58b32acfda9c38f27de0959db216db5 [0,1,1,0,0,0|2,0,0]=4 2812 B13R1.718 BrCC(Br)COCc1ccccc1 313bfc2d064ffc3420f240e401102d08 [0,1,1,0,0,0|1,0,0]=3 2813 B13R1.718 BrCC(Br)COCc1ccccn1 23dae8838a0363d61d3af279d9acc891 [0,1,1,0,0,0|2,0,0]=4 2814 B13R1.718 BrCC(Br)COCc1cccnc1 4629c74a382f2299f3e105b42e2a9f1b [0,1,1,0,0,0|2,0,0]=4 2815 B13R1.718 C/C(=C\I)/COCc1ccccc1 355ceb8d91a4c69510453e29a1cfa3a2 [0,1,1,0,0,0|1,0,1]=4 2816 B13R1.718 C=C(COCc1ccccc1)OC 8c4b4c5b998308002d5b388a53a71ab4 [0,1,1,0,0,0|0,0,2]=4 2817 B13R1.718 C=CC(C)COCc1ccccc1 b8b8b2053d46c3f0017ad5c27e992dc4 [0,1,1,0,0,0|1,0,0]=3 2818 B13R1.718 C=CC(C)COCc1ccccn1 6135169582364f99c98b280d1fae2026 [0,1,1,0,0,0|2,0,0]=4 2819 B13R1.718 C=CC(C)COCc1cccnc1 fe6759e987a3bf9a38d37a97d15b5522 [0,1,1,0,0,0|2,0,0]=4 2820 B13R1.718 C=CC(O)CNCc1ccccc1 3b60528a0cfc8d2e11ee215e2a58af32 [0,1,1,0,0,0|1,0,1]=4 2821 B13R1.718 CC(=CI)COCc1ccccc1 b966030bdc9b8b908a815cbd2cf21a28 [0,1,1,0,0,0|1,0,1]=4 2822 B13R1.718 CC(C#N)CNCc1ccccc1 4b2992bdcc2a65b08374b408fe423fce [0,1,1,0,0,0|2,0,0]=4 2823 B13R1.718 CC(C#N)COCc1ccccc1 dd6e89064953942042b98316280a869f [0,1,1,0,0,0|1,0,0]=3 2824 B13R1.718 CC(C#N)COCc1ccccn1 3d2eaf0a4ce4f67e4cc689cb42adf7f7 [0,1,1,0,0,0|2,0,0]=4 2825 B13R1.718 CC(C#N)COCc1cccnc1 e70a2ab36749ba7a6abdc2bd039256f1 [0,1,1,0,0,0|2,0,0]=4 2826 B13R1.718 CC(C#N)COCc1ccncc1 44872e2e8f2e628a0b26677d074f9e5a [0,1,1,0,0,0|2,0,0]=4 2827 B13R1.718 CC(CO)CCNc1ccccc1 4d37090ae4c8c4516bf50e1daccfb4da [0,1,1,0,0,0|2,0,0]=4 2828 B13R1.718 CC(CO)CNCc1ccccc1 a8ab15a9d308f0c4a33f134b0e8343dd [0,1,1,0,0,0|1,0,0]=3 2829 B13R1.718 CC(CO)CNCc1ccccn1 6560315a39a5c206bce3a439a8b36cd2 [0,1,1,0,0,0|2,0,0]=4 2830 B13R1.718 CC(CO)CNCc1cccnc1 144a4cbe54503f6fe95a6aace01bdb03 [0,1,1,0,0,0|2,0,0]=4 2831 B13R1.718 CC(CO)CNCc1ccncc1 d306f44fe73670872567d408176fa2a8 [0,1,1,0,0,0|2,0,0]=4 2832 B13R1.718 CC(CO)NCCc1ccccc1 ca980b8870daab798e4fdf7c12f222e9 [0,1,1,0,0,0|2,0,0]=4 2833 B13R1.718 CCC(=O)COCc1ccccc1 266396ee78f62f5a5e858c0195fee052 [0,1,1,0,0,0|0,0,2]=4 2834 B13R1.718 CCC(C)CNCc1ccccc1 9212151e95985ff645dd6e0e56bfbd96 [0,1,1,0,0,0|2,0,0]=4 2835 B13R1.718 CCC(C)COCc1ccccc1 a8db5027fb548c7a3aa4f8e3aac3f29d [0,1,1,0,0,0|1,0,0]=3 2836 B13R1.718 CCC(C)COCc1ccccn1 7b83d988cff80e11b11e235047a147c3 [0,1,1,0,0,0|2,0,0]=4 2837 B13R1.718 CCC(C)COCc1cccnc1 fe6d4d34907cd3ec66bebb4fc3bae3e9 [0,1,1,0,0,0|2,0,0]=4 2838 B13R1.718 CCC(C)COCc1ccncc1 e66edb448c616cc26f66a154df8920b0 [0,1,1,0,0,0|2,0,0]=4 2839 B13R1.718 CCC(O)CNCc1ccccc1 5df21e5b8da54e62a8351afe56b24c4a [0,1,1,0,0,0|1,0,0]=3 2840 B13R1.718 CCC(O)CNCc1ccccn1 d127f7de937d460d83b0c4e835fc6be6 [0,1,1,0,0,0|2,0,0]=4 2841 B13R1.718 CCC(O)CNCc1cccnc1 fa13230d7f791de8096094c12ab9a7be [0,1,1,0,0,0|2,0,0]=4 2842 B13R1.718 CCC(O)CNCc1ccncc1 659ed5a37387812620efbb61e0898e1a [0,1,1,0,0,0|2,0,0]=4 2843 B13R1.718 CC[C@@H](C)CNCc1ccccc1 3e755e1966c9036c01c574cad72da958 [0,1,1,0,0,0|2,0,0]=4 2844 B13R1.718 CC[C@@H](C)COCc1ccccc1 3acbc56912048406996b8b9ea7a10564 [0,1,1,0,0,0|1,0,0]=3 2845 B13R1.718 CC[C@@H](C)COCc1ccccn1 618f3b9796e3c4139e4546044d36cf66 [0,1,1,0,0,0|2,0,0]=4 2846 B13R1.718 CC[C@@H](C)COCc1cccnc1 2082720fd42b4aa1edce5af9da79dea5 [0,1,1,0,0,0|2,0,0]=4 2847 B13R1.718 CC[C@@H](C)COCc1ccncc1 41b531a174290966234eea8ec43f0d04 [0,1,1,0,0,0|2,0,0]=4 2848 B13R1.718 CC[C@@H](O)CNCc1ccccc1 442d164a8251681b791974d837cea552 [0,1,1,0,0,0|1,0,0]=3 2849 B13R1.718 CC[C@@H](O)CNCc1ccccn1 f1c9fbda99cbc87879628833c6984590 [0,1,1,0,0,0|2,0,0]=4 2850 B13R1.718 CC[C@@H](O)CNCc1cccnc1 4990261c74598a011657339abb494d29 [0,1,1,0,0,0|2,0,0]=4 2851 B13R1.718 CC[C@H](C)CNCc1ccccc1 57f32a8258da15a9bcf0119991ef3cbb [0,1,1,0,0,0|2,0,0]=4 2852 B13R1.718 CC[C@H](C)COCc1ccccc1 3b63c6ed8446e2d55321d06d46f32904 [0,1,1,0,0,0|1,0,0]=3 2853 B13R1.718 CC[C@H](C)COCc1ccccn1 66f5981fc79bdf4b8dd51e817064c9e6 [0,1,1,0,0,0|2,0,0]=4 2854 B13R1.718 CC[C@H](C)COCc1cccnc1 04109a15eb726aa89d0dda7ba084fd90 [0,1,1,0,0,0|2,0,0]=4 2855 B13R1.718 CC[C@H](C)COCc1ccncc1 31d735532f7f405c7342d5e6e7b328b5 [0,1,1,0,0,0|2,0,0]=4 2856 B13R1.718 CNC(=O)COCc1ccccc1 f6f28fc8fe99fc848c01537d265d08ae [0,1,1,0,0,0|0,0,2]=4 2857 B13R1.718 COC(=O)COCc1ccccc1 e46d7b2f756921afd494cbaafe025c22 [0,1,1,0,0,0|0,0,2]=4 2858 B13R1.718 COC(C)CNCc1ccccc1 935d8bcd6bac3c25b8154fa2d564e57b [0,1,1,0,0,0|1,0,0]=3 2859 B13R1.718 COC(C)CNCc1ccccn1 7d324311a47f57421db02c642a1de64e [0,1,1,0,0,0|2,0,0]=4 2860 B13R1.718 COC(C)CNCc1cccnc1 3625295d9071f3d3bf3cef3098ae07b9 [0,1,1,0,0,0|2,0,0]=4 2861 B13R1.718 COC(C)CNCc1ccncc1 4654427470d227918f13aeac65cd0cc2 [0,1,1,0,0,0|2,0,0]=4 2862 B13R1.718 COC(C)COCc1ccccc1 abc0b1f0547ce39d198869ca56fd0562 [0,1,1,0,0,0|0,0,0]=2 2863 B13R1.718 COC(C)COCc1ccccn1 9c0c3387109963140ce660d78f59fae9 [0,1,1,0,0,0|1,0,0]=3 2864 B13R1.718 COC(C)COCc1cccnc1 0630c44ba21a90c63d730eb4fe381ed9 [0,1,1,0,0,0|1,0,0]=3 2865 B13R1.718 COC(C)COCc1cccnn1 70d2d53360c2c1fdb3bb36818492fccd [0,1,1,0,0,0|2,0,0]=4 2866 B13R1.718 COC(C)COCc1ccncc1 5dbd98591a9efd679dc13d2fa5b5d76c [0,1,1,0,0,0|1,0,0]=3 2867 B13R1.718 COC(C)COCc1ccncn1 c8db68b2557d26dffed2f6321b96c734 [0,1,1,0,0,0|2,0,0]=4 2868 B13R1.718 COC(C)COCc1ccnnc1 d8ffe81d62dd80c52fd4911a0344ccf3 [0,1,1,0,0,0|2,0,0]=4 2869 B13R1.718 COC(C)COCc1cnccn1 b609b75417ad0f61cdca1a692b679b39 [0,1,1,0,0,0|2,0,0]=4 2870 B13R1.718 COC(C)COCc1cncnc1 db71e424472e456406991fc0cfb573b1 [0,1,1,0,0,0|2,0,0]=4 2871 B13R1.718 COC(C)COCc1ncccn1 2ff8a7aefda69aaa9c5d76bbddde70cf [0,1,1,0,0,0|2,0,0]=4 2872 B13R1.718 CO[C@@H](C)CNCc1ccccc1 9f07176a9fb98435253fe40059f5c78c [0,1,1,0,0,0|1,0,0]=3 2873 B13R1.718 CO[C@@H](C)CNCc1ccccn1 11d0640868b38d18ffdc6a6f8e360405 [0,1,1,0,0,0|2,0,0]=4 2874 B13R1.718 CO[C@@H](C)CNCc1cccnc1 3d99c2158495804f741e7bc9c3bb86a4 [0,1,1,0,0,0|2,0,0]=4 2875 B13R1.718 CO[C@@H](C)CNCc1ccncc1 c7de427e2a0e3833d80dc9c005dfadae [0,1,1,0,0,0|2,0,0]=4 2876 B13R1.718 CO[C@@H](C)COCc1ccccc1 88aecf7f711ca4c8fca58ebe797b8738 [0,1,1,0,0,0|0,0,0]=2 2877 B13R1.718 CO[C@@H](C)COCc1ccccn1 8a34b39242aa0ff73d3fc5dfa1b96beb [0,1,1,0,0,0|1,0,0]=3 2878 B13R1.718 CO[C@@H](C)COCc1cccnc1 2f6676a4b47d986e1bef7393133f7d8d [0,1,1,0,0,0|1,0,0]=3 2879 B13R1.718 CO[C@@H](C)COCc1cccnn1 72da3c1586b7ff175cdf66943d977790 [0,1,1,0,0,0|2,0,0]=4 2880 B13R1.718 CO[C@@H](C)COCc1ccncc1 4ca2e8412d0627979b4a77f828843408 [0,1,1,0,0,0|1,0,0]=3 2881 B13R1.718 CO[C@@H](C)COCc1ccncn1 f58daa4e20f7c3a894b1b9b37f0bdf59 [0,1,1,0,0,0|2,0,0]=4 2882 B13R1.718 CO[C@@H](C)COCc1ccnnc1 bff86846ee6a8c659f823b05455a964a [0,1,1,0,0,0|2,0,0]=4 2883 B13R1.718 CO[C@@H](C)COCc1cnccn1 7cc1a44ccfe504ddfb8d94ac0914612c [0,1,1,0,0,0|2,0,0]=4 2884 B13R1.718 CO[C@@H](C)COCc1cncnc1 ecff1369aeded3999af78f2b68b4d208 [0,1,1,0,0,0|2,0,0]=4 2885 B13R1.718 CO[C@@H](C)COCc1ncccn1 4ec7d8e94be14e19c198891e00c4896f [0,1,1,0,0,0|2,0,0]=4 2886 B13R1.718 CO[C@H](C)CNCc1ccccc1 1add30759e3e93204168617275f53841 [0,1,1,0,0,0|1,0,0]=3 2887 B13R1.718 CO[C@H](C)CNCc1ccccn1 47a882164f5933818de2ad21cc6cc181 [0,1,1,0,0,0|2,0,0]=4 2888 B13R1.718 CO[C@H](C)CNCc1cccnc1 b201eaf6c8c3b51087961414ec1191a7 [0,1,1,0,0,0|2,0,0]=4 2889 B13R1.718 CO[C@H](C)CNCc1ccncc1 fd15629a4461f313fe4b24414b8e1b7c [0,1,1,0,0,0|2,0,0]=4 2890 B13R1.718 CO[C@H](C)COCc1ccccc1 c455f4df22b5e153ceb05224bc6c1d03 [0,1,1,0,0,0|0,0,0]=2 2891 B13R1.718 CO[C@H](C)COCc1ccccn1 4e0a6a78364c66be69256e55434e3b7d [0,1,1,0,0,0|1,0,0]=3 2892 B13R1.718 CO[C@H](C)COCc1cccnc1 37955708e86efd51411e2c9f3de9b779 [0,1,1,0,0,0|1,0,0]=3 2893 B13R1.718 CO[C@H](C)COCc1cccnn1 5fc3a8700b38f14f617ad39b8c186a8f [0,1,1,0,0,0|2,0,0]=4 2894 B13R1.718 CO[C@H](C)COCc1ccncc1 23a39b811184ba695d95fed5db4eda44 [0,1,1,0,0,0|1,0,0]=3 2895 B13R1.718 CO[C@H](C)COCc1ccncn1 bfd12885f91214c8cb29bc5d1cfb9ef2 [0,1,1,0,0,0|2,0,0]=4 2896 B13R1.718 CO[C@H](C)COCc1ccnnc1 d40ae4a6b652c7941d187d68151b17b2 [0,1,1,0,0,0|2,0,0]=4 2897 B13R1.718 CO[C@H](C)COCc1cnccn1 48077019a2feba2325a2a5bdc007b20d [0,1,1,0,0,0|2,0,0]=4 2898 B13R1.718 CO[C@H](C)COCc1cncnc1 5d57cfc5951d072da8d95a4055b46568 [0,1,1,0,0,0|2,0,0]=4 2899 B13R1.718 CO[C@H](C)COCc1ncccn1 797d8dbbf42d01c1d742d53d60707ac6 [0,1,1,0,0,0|2,0,0]=4 2900 B13R1.718 C[C@@H](CO)CCNc1ccccc1 64eab2116b6261f4048d30e4ad5a6f62 [0,1,1,0,0,0|2,0,0]=4 2901 B13R1.718 C[C@@H](CO)CNCc1ccccc1 e2f2b6480afeb47c9d182f8bf342ee78 [0,1,1,0,0,0|1,0,0]=3 2902 B13R1.718 C[C@@H](CO)CNCc1ccccn1 624b5acd3d811f8a7d0711998df552f5 [0,1,1,0,0,0|2,0,0]=4 2903 B13R1.718 C[C@@H](CO)CNCc1cccnc1 0f232d5eb06bb5969e535b16689f1aec [0,1,1,0,0,0|2,0,0]=4 2904 B13R1.718 C[C@@H](CO)CNCc1ccncc1 19c248ec0f75056b9b10c0d2c91a5547 [0,1,1,0,0,0|2,0,0]=4 2905 B13R1.718 C[C@@H](CO)NCCc1ccccc1 becda43359cccf2ad88f7b4db8f3be9f [0,1,1,0,0,0|2,0,0]=4 2906 B13R1.718 C[C@H](CO)CNCc1ccccc1 92800f4bfb7229bb709a604d05a50f8b [0,1,1,0,0,0|1,0,0]=3 2907 B13R1.718 C[C@H](CO)CNCc1ccccn1 c9ad8a7651d307f1ff828516023bbe47 [0,1,1,0,0,0|2,0,0]=4 2908 B13R1.718 C[C@H](CO)CNCc1cccnc1 5a35716cbb833e23db83a34cb0e761c1 [0,1,1,0,0,0|2,0,0]=4 2909 B13R1.718 C[C@H](CO)CNCc1ccncc1 0614ee7cf304efa6ba0bda6728ef491b [0,1,1,0,0,0|2,0,0]=4 2910 B13R1.718 C[C@H](CO)NCCc1ccccc1 2a41261301307fce936b23ca5418cc20 [0,1,1,0,0,0|2,0,0]=4 2911 B13R1.718 ClCC(Cl)COCc1ccccc1 d12322f8a7b092d05f034f37cd13991d [0,1,1,0,0,0|1,0,0]=3 2912 B13R1.718 ClCC(Cl)COCc1ccccn1 118354aaf34e67baff878c0087929895 [0,1,1,0,0,0|2,0,0]=4 2913 B13R1.718 ClCC(Cl)COCc1cccnc1 ada525cc6abfe0ebdc1529b4c8a03d1c [0,1,1,0,0,0|2,0,0]=4 2914 B13R1.718 OC(CF)CNCc1ccccc1 29c345fed18c163df8bb2ed652691484 [0,1,1,0,0,0|1,0,0]=3 2915 B13R1.718 OC(CF)CNCc1ccccn1 5071165548b8903832e129ebff988d89 [0,1,1,0,0,0|2,0,0]=4 2916 B13R1.718 OC(CF)CNCc1cccnc1 7a1d4d98c26777a99dd9862e4e9d2f9b [0,1,1,0,0,0|2,0,0]=4 2917 B13R1.718 OC(CF)CNCc1ccncc1 a2580050d19f1b68ea8541aa2e71e5ab [0,1,1,0,0,0|2,0,0]=4 2918 B13R1.718 OCC(F)CNCc1ccccc1 244608a5191f35d15a9a09d6eefb2a7e [0,1,1,0,0,0|2,0,0]=4 2919 B13R1.718 OCC(O)CCNc1ccccc1 1c3b9de4d883af7fb997db036d207d12 [0,1,1,0,0,0|2,0,0]=4 2920 B13R1.718 OCC(O)CNCc1ccccc1 10b7e4262107d48cf003832f5cb1c48c [0,1,1,0,0,0|1,0,0]=3 2921 B13R1.718 OCC(O)CNCc1ccccn1 7ed5048990e8918868456e0fed6394f0 [0,1,1,0,0,0|2,0,0]=4 2922 B13R1.718 OCC(O)CNCc1cccnc1 9bc997819c31ca3f7c3e93b3922c9548 [0,1,1,0,0,0|2,0,0]=4 2923 B13R1.718 OCC(O)CNCc1ccncc1 9d36bb4d7daeb23caad01546543a8c4a [0,1,1,0,0,0|2,0,0]=4 2924 B13R1.718 OCC(O)COCc1ccccc1 bd5ea9844f1ddb361d6cf950f4f789f5 [0,1,1,0,0,0|0,0,0]=2 2925 B13R1.718 OCC(O)COCc1ccccn1 90acdc4cb454f093370c1a5a9deaefd0 [0,1,1,0,0,0|1,0,0]=3 2926 B13R1.718 OCC(O)COCc1cccnc1 dd72a270b6f36f8a14044a532883496a [0,1,1,0,0,0|1,0,0]=3 2927 B13R1.718 OCC(O)COCc1cccnn1 95b8c6e65d49a91eac7162d761f8e971 [0,1,1,0,0,0|2,0,0]=4 2928 B13R1.718 OCC(O)COCc1ccncc1 99f054b23555429ac2a2f956f8b6da1a [0,1,1,0,0,0|1,0,0]=3 2929 B13R1.718 OCC(O)COCc1ccncn1 2d077385de903ef1ae586a1bee006e71 [0,1,1,0,0,0|2,0,0]=4 2930 B13R1.718 OCC(O)COCc1ccnnc1 7fe29d61174724069fd2c0531003fe03 [0,1,1,0,0,0|2,0,0]=4 2931 B13R1.718 OCC(O)COCc1cnccn1 9c5b61684b8f6bb2fd164b604c0cac14 [0,1,1,0,0,0|2,0,0]=4 2932 B13R1.718 OCC(O)COCc1cncnc1 ab18697968c39f488ba48d2aafbb15e5 [0,1,1,0,0,0|2,0,0]=4 2933 B13R1.718 OCC(O)COCc1ncccn1 4e3b44ac7c5b4ddf84b35d943302180d [0,1,1,0,0,0|2,0,0]=4 2934 B13R1.718 OC[C@@H](F)CNCc1ccccc1 332d23e9ac872b67c6e0047480e015b3 [0,1,1,0,0,0|2,0,0]=4 2935 B13R1.718 OC[C@@H](O)CNCc1ccccc1 f728b5b7979ca926a75153faa67f16f6 [0,1,1,0,0,0|1,0,0]=3 2936 B13R1.718 OC[C@@H](O)CNCc1ccccn1 c87e9010487a215b42319c2250b37cc4 [0,1,1,0,0,0|2,0,0]=4 2937 B13R1.718 OC[C@@H](O)CNCc1cccnc1 4fc5e1b9ae089ec170d99b91b7be5569 [0,1,1,0,0,0|2,0,0]=4 2938 B13R1.718 OC[C@@H](O)CNCc1ccncc1 cdc75b80c6c62544d531da256a710d94 [0,1,1,0,0,0|2,0,0]=4 2939 B13R1.718 OC[C@@H](O)COCc1ccccc1 5c80659e749ab7eada73498294e7773c [0,1,1,0,0,0|0,0,0]=2 2940 B13R1.718 OC[C@@H](O)COCc1ccccn1 968b1c3c9843f57870539fc42b4d1c12 [0,1,1,0,0,0|1,0,0]=3 2941 B13R1.718 OC[C@@H](O)COCc1cccnc1 42851599b4a87afe1ca8b273fb9911b4 [0,1,1,0,0,0|1,0,0]=3 2942 B13R1.718 OC[C@@H](O)COCc1cccnn1 b1b31d256ecfd26bbcda151dca5a0439 [0,1,1,0,0,0|2,0,0]=4 2943 B13R1.718 OC[C@@H](O)COCc1ccncc1 4e7f3ae7c0dd1681ec652831cbc2ab56 [0,1,1,0,0,0|1,0,0]=3 2944 B13R1.718 OC[C@@H](O)COCc1ccncn1 72a8e992e0aaec2da12751d9289d77bc [0,1,1,0,0,0|2,0,0]=4 2945 B13R1.718 OC[C@@H](O)COCc1ccnnc1 5e8ec9fc2cc47d688b337c0f94c2e927 [0,1,1,0,0,0|2,0,0]=4 2946 B13R1.718 OC[C@@H](O)COCc1cnccn1 d0ab469b95ed142a442914e53c6272f8 [0,1,1,0,0,0|2,0,0]=4 2947 B13R1.718 OC[C@@H](O)COCc1cncnc1 90ea119032d1dae70aa30eb5173e63dd [0,1,1,0,0,0|2,0,0]=4 2948 B13R1.718 OC[C@@H](O)COCc1ncccn1 38894f199cab16aa9a17a0462fe82544 [0,1,1,0,0,0|2,0,0]=4 2949 B13R1.718 OC[C@H](F)CNCc1ccccc1 da94ebd7bb5ca16b0c08affc7573db81 [0,1,1,0,0,0|2,0,0]=4 2950 B13R1.718 OC[C@H](O)CNCc1ccccc1 e8f6692d108ebc12a57f59d0133d16d6 [0,1,1,0,0,0|1,0,0]=3 2951 B13R1.718 OC[C@H](O)CNCc1ccccn1 57b140d96e93304db3aff81789485e44 [0,1,1,0,0,0|2,0,0]=4 2952 B13R1.718 OC[C@H](O)CNCc1cccnc1 0f0c0a96b757f04812dbdd9bdd676c9b [0,1,1,0,0,0|2,0,0]=4 2953 B13R1.718 OC[C@H](O)CNCc1ccncc1 a5792f79c24bd3039e0bf868a8a999d0 [0,1,1,0,0,0|2,0,0]=4 2954 B13R1.718 OC[C@H](O)COCc1ccccc1 78b4838e76aaf78bf6362dc57b2a4d86 [0,1,1,0,0,0|0,0,0]=2 2955 B13R1.718 OC[C@H](O)COCc1ccccn1 57312c5c12f7b487a45cb6122c03bb0c [0,1,1,0,0,0|1,0,0]=3 2956 B13R1.718 OC[C@H](O)COCc1cccnc1 b3d0ec146ac2c45528dc454f8a8e74c6 [0,1,1,0,0,0|1,0,0]=3 2957 B13R1.718 OC[C@H](O)COCc1cccnn1 88c6c4429fac3a369ea24509274ca015 [0,1,1,0,0,0|2,0,0]=4 2958 B13R1.718 OC[C@H](O)COCc1ccncc1 e8e515f25cd010e38b4e930b2bcd3c88 [0,1,1,0,0,0|1,0,0]=3 2959 B13R1.718 OC[C@H](O)COCc1ccncn1 564d17d599e3a50fe90c8e01140bbcd4 [0,1,1,0,0,0|2,0,0]=4 2960 B13R1.718 OC[C@H](O)COCc1ccnnc1 001e9b5e5b83da11375098c974a873d0 [0,1,1,0,0,0|2,0,0]=4 2961 B13R1.718 OC[C@H](O)COCc1cnccn1 1cac1ab2a7fedea9083dd57255953adc [0,1,1,0,0,0|2,0,0]=4 2962 B13R1.718 OC[C@H](O)COCc1cncnc1 8ad69a28fc9aaedcc319e22d7269b03d [0,1,1,0,0,0|2,0,0]=4 2963 B13R1.718 OC[C@H](O)COCc1ncccn1 d8343500b920f98d80f3a4e359ac09ae [0,1,1,0,0,0|2,0,0]=4 2964 B13R1.718 SCC(S)COCc1ccccc1 88271685b7cb8bfb9d3c1fc004140dc4 [0,1,1,0,0,0|0,1,0]=3 2965 B13R1.718 SCC(S)COCc1ccccn1 b54b4c001755a00f7f6ce23be44465da [0,1,1,0,0,0|1,1,0]=4 2966 B13R1.718 SCC(S)COCc1cccnc1 cf087dc78b0390a438f20efed46cc5c4 [0,1,1,0,0,0|1,1,0]=4 2967 B13R1.3523 CC(C)(Br)COCc1ccccc1 09a2aea7670059b2ee833bdc0acefff4 [0,1,1,0,0,0|1,0,0]=3 2968 B13R1.3523 CC(C)(Br)COCc1ccccn1 de13c9782fe4890825cffadc194169ea [0,1,1,0,0,0|2,0,0]=4 2969 B13R1.3523 CC(C)(Br)COCc1cccnc1 5eadd8838c9c713f394c75c4b5204ec0 [0,1,1,0,0,0|2,0,0]=4 2970 B13R1.3523 CC(C)(C)CNCc1ccccc1 120dce255af61d3f27a86b6df5546e6d [0,1,1,0,0,0|2,0,0]=4 2971 B13R1.3523 CC(C)(C)COCc1ccccc1 88c36added3761c571c82c9bcdd32e34 [0,1,1,0,0,0|1,0,0]=3 2972 B13R1.3523 CC(C)(C)COCc1ccccn1 7ff580475ef9002f26e342dfb145886c [0,1,1,0,0,0|2,0,0]=4 2973 B13R1.3523 CC(C)(C)COCc1cccnc1 70366a55ed9ee364494e469dcabac85a [0,1,1,0,0,0|2,0,0]=4 2974 B13R1.3523 CC(C)(C)COCc1ccncc1 6039ca51512d38c04d5a73033e8c327c [0,1,1,0,0,0|2,0,0]=4 2975 B13R1.3523 CC(C)(F)CNCc1ccccc1 e89be8c1438a67cc2a6a0da11380728d [0,1,1,0,0,0|2,0,0]=4 2976 B13R1.3523 CC(C)(F)COCc1ccccc1 73208540f130f922b7ebf79f516d6005 [0,1,1,0,0,0|1,0,0]=3 2977 B13R1.3523 CC(C)(F)COCc1ccccn1 3f0e87a884a6b4c77f5b47f2309fb724 [0,1,1,0,0,0|2,0,0]=4 2978 B13R1.3523 CC(C)(F)COCc1cccnc1 7679e18848773e8c11ea211e4db62a50 [0,1,1,0,0,0|2,0,0]=4 2979 B13R1.3523 CC(C)(F)COCc1ccncc1 337baafc7d69de80e5b205cc2e2da91e [0,1,1,0,0,0|2,0,0]=4 2980 B13R1.3523 CC(C)(O)CCNc1ccccc1 c4f5ba88bd1187928d72373d155556e0 [0,1,1,0,0,0|2,0,0]=4 2981 B13R1.3523 CC(C)(O)CNCc1ccccc1 ac03deab52d134fd4f2ecc3aba4f9893 [0,1,1,0,0,0|1,0,0]=3 2982 B13R1.3523 CC(C)(O)CNCc1ccccn1 f35897152b0f65dc1b7b40ae25f0932a [0,1,1,0,0,0|2,0,0]=4 2983 B13R1.3523 CC(C)(O)CNCc1cccnc1 7232a0c7410ef2be6a34f3e77a19a571 [0,1,1,0,0,0|2,0,0]=4 2984 B13R1.3523 CC(C)(O)CNCc1ccncc1 9f60804bd61c9f092ed7c60648fcb832 [0,1,1,0,0,0|2,0,0]=4 2985 B13R1.3523 CC(C)(O)COCc1ccccc1 61e7e7507275b8dcd72c7dd1f7a3ecee [0,1,1,0,0,0|0,0,0]=2 2986 B13R1.3523 CC(C)(O)COCc1ccccn1 20bec6710064573e132c08a86cbc5155 [0,1,1,0,0,0|1,0,0]=3 2987 B13R1.3523 CC(C)(O)COCc1cccnc1 495307f7413e87f05cd9d14979309670 [0,1,1,0,0,0|1,0,0]=3 2988 B13R1.3523 CC(C)(O)COCc1cccnn1 c2d0979bcda7904efebc940ec2ab20a6 [0,1,1,0,0,0|2,0,0]=4 2989 B13R1.3523 CC(C)(O)COCc1ccncc1 79337d9480f64dfb403cac71d53cf882 [0,1,1,0,0,0|1,0,0]=3 2990 B13R1.3523 CC(C)(O)COCc1ccncn1 69fea8d5a7c18a574fbe0a2753d8128f [0,1,1,0,0,0|2,0,0]=4 2991 B13R1.3523 CC(C)(O)COCc1ccnnc1 957174e107d8b4a9f2ad331a1f6b2d7a [0,1,1,0,0,0|2,0,0]=4 2992 B13R1.3523 CC(C)(O)COCc1cnccn1 e451257022e8a8e171a22f5383d08591 [0,1,1,0,0,0|2,0,0]=4 2993 B13R1.3523 CC(C)(O)COCc1cncnc1 cb28caaec35b1d20f33e2d4719413501 [0,1,1,0,0,0|2,0,0]=4 2994 B13R1.3523 CC(C)(O)COCc1ncccn1 b82c7dd93a2f4a6fb11e6c80b6f4f428 [0,1,1,0,0,0|2,0,0]=4 2995 B13R1.3523 CC(C)(S)COCc1ccccc1 149a9f519f2ca316fa0c7da7548e2256 [0,1,1,0,0,0|0,1,0]=3 2996 B13R1.3523 CC(C)(S)COCc1ccccn1 8235aab20d494630bea03733e8dde4b2 [0,1,1,0,0,0|1,1,0]=4 2997 B13R1.3523 CC(C)(S)COCc1cccnc1 573fbce7625972fe0fe0079a352ed320 [0,1,1,0,0,0|1,1,0]=4 2998 B13R1.3523 CC(F)(F)CNCc1ccccc1 f5d1c85105402783fee3f128e5288419 [0,1,1,0,0,0|2,0,0]=4 2999 B13R1.3523 CC(F)(F)COCc1ccccc1 c289f26370a34cda22ba40d65eb1bb90 [0,1,1,0,0,0|1,0,0]=3 3000 B13R1.3523 CC(F)(F)COCc1ccccn1 b241a16d3e52cb65e3c6077039bd9fc1 [0,1,1,0,0,0|2,0,0]=4 3001 B13R1.3523 CC(F)(F)COCc1cccnc1 e03932821f18f196e9df17cf7c08fe16 [0,1,1,0,0,0|2,0,0]=4 3002 B13R1.3523 CC(F)(F)COCc1ccncc1 272879c4b47cf127a4e2a8c60ab65baa [0,1,1,0,0,0|2,0,0]=4 3003 B13R1.3523 FC(F)(Br)COCc1ccccc1 892281c4864153e12e9ac4f0370bd97c [0,1,1,0,0,0|2,0,0]=4 3004 B13R1.3523 FC(F)(Cl)COCc1ccccc1 5cd1b9dfc517bdccbfb39c055f799a72 [0,1,1,0,0,0|2,0,0]=4 3005 B13R1.3523 FC(F)(F)COCc1ccccc1 7eb08965c07614b4b30eebadc2cb5625 [0,1,1,0,0,0|2,0,0]=4 3006 B13R2.52 CCN1CC(C1)c2ccccc2 69d4cc457ae2e1f78728361f56079908 [0,1,0,0,1,0|2,0,0]=4 3007 B13R2.52 FCN1CC(C1)c2ccccc2 2f123790cc63657dd270bace14c92804 [0,1,0,0,1,0|2,0,0]=4 3008 B13R2.52 OCN1CC(C1)c2ccccc2 5a51a2f1f7462df2c3c0a04f740b1f18 [0,1,0,0,1,0|2,0,0]=4 3009 B13R2.56 CCN1CCC1c2ccccc2 fda778d48a622a61b172677bfd132183 [0,1,0,0,1,0|2,0,0]=4 3010 B13R2.56 FCN1CCC1c2ccccc2 4ce5ae5906307e3dc3e6487366f62d5e [0,1,0,0,1,0|2,0,0]=4 3011 B13R2.56 OCN1CCC1c2ccccc2 6b97806116c5cdb4eb5c9b9a91151abc [0,1,0,0,1,0|2,0,0]=4 3012 B15R2.15 CO[C@H]1CC[C@H](C1)Nc2ccccc2 ab9e7d55f6ffef885cf0d7b174d65cfb [0,1,0,0,0,1|2,0,0]=4 3013 B15R2.15 OCC1CCC(C1)Nc2ccccc2 8488a333ea862e0f12327cdb4ad0731d [0,1,0,0,0,1|2,0,0]=4 3014 B15R2.15 OC[C@@H]1CC[C@@H](C1)Nc2ccccc2 c3ec491b1859b59314de77e965972d17 [0,1,0,0,0,1|2,0,0]=4 3015 B15R2.15 OC[C@@H]1CC[C@H](C1)Nc2ccccc2 de9a4a5cf27c8ecaedc94a8b3ae42f95 [0,1,0,0,0,1|2,0,0]=4 3016 B15R2.15 OC[C@H]1CC[C@@H](C1)Nc2ccccc2 c6bb5ba73a9b5187d8cd82ac288a65ab [0,1,0,0,0,1|2,0,0]=4 3017 B15R2.15 OC[C@H]1CC[C@H](C1)Nc2ccccc2 d24285ac118a88ce1ebab65643ec03e3 [0,1,0,0,0,1|2,0,0]=4 3018 B15R2.98 CC1CCC(C1)Nc2ccc(cc2)F 2f1b6af0b7e3d55d7d7ca1ae4250268a [0,1,0,0,0,1|2,0,0]=4 3019 B15R2.98 CC1CCC(C1)Nc2ccc(cc2)S 9381b57bc87152b0860103bb41450554 [0,1,0,0,0,1|2,0,0]=4 3020 B15R2.305 Cc1ccccc1NC2CCC(C2)C 0d232399f7fd5bfd08984fbf3934d3ab [0,1,0,0,0,1|2,0,0]=4 3021 B15R2.1115 Cc1cccc(c1)NC2CCC(C2)C a5edcb96ce2897d0eb3cbe2ac3f1a953 [0,1,0,0,0,1|2,0,0]=4 3022 B15R2.7532 CC1(CCC(C1)Nc2ccccc2)C b593722f3c4b051080bab20601b82cf6 [0,1,0,0,0,1|2,0,0]=4 3023 B15R2.17 CCN1CCOC(C1)c2ccccc2 89ace7bf190b9ea3ad37a9c9894e889b [0,1,0,0,0,1|2,0,0]=4 3024 B15R2.17 CCN1CCO[C@@H](C1)c2ccccc2 9c1f9e5022643d884462ecba20e994c0 [0,1,0,0,0,1|2,0,0]=4 3025 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 80501f4ffb7197b2f03f05b12be448d9 [0,1,0,0,0,1|2,0,0]=4 3026 B15R2.17 FCN1CCOC(C1)c2ccccc2 4c66a49510ae319860bb125891cc8cce [0,1,0,0,0,1|2,0,0]=4 3027 B15R2.17 FCN1CCO[C@@H](C1)c2ccccc2 099310c293006264cedb6f45ffd2846c [0,1,0,0,0,1|2,0,0]=4 3028 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 93e1fbdbc36d8434c64468bc93b07afb [0,1,0,0,0,1|2,0,0]=4 3029 B15R2.17 OCN1CCOC(C1)c2ccccc2 c61ec68d43786dce0f5396e372360e8d [0,1,0,0,0,1|2,0,0]=4 3030 B15R2.17 OCN1CCO[C@@H](C1)c2ccccc2 80121aa06d5db6d0a9ba664bf987e557 [0,1,0,0,0,1|2,0,0]=4 3031 B15R2.17 OCN1CCO[C@H](C1)c2ccccc2 2f76bc2d923a8235b59e84fdbbd44657 [0,1,0,0,0,1|2,0,0]=4 3032 B15R2.66 CCOC1CCC(C1)c2ccccc2 443a171ca8e637adf300967867e7abd0 [0,2,0,0,0,0|2,0,0]=4 3033 B15R2.66 FCOC1CCC(C1)c2ccccc2 eb38b9dd50149e2aef0c90fe607baefb [0,2,0,0,0,0|2,0,0]=4 3034 B15R2.2349 C[C@H]1CCC(N1C=O)c2ccccc2 1a2cf0a41f95be6cccc3f63becaa6e8b [0,2,0,0,0,0|2,0,0]=4 3035 B15R2.2349 C[C@H]1CCC(N1CF)c2ccccc2 0cf88c949ca732e8a24bffbf62066af4 [0,2,0,0,0,0|2,0,0]=4 3036 B15R2.2349 C[C@H]1CCC(N1CO)c2ccccc2 34b45ce5c40f77321ca36d52ade02ce0 [0,2,0,0,0,0|2,0,0]=4 3037 B13R2.1 CCNC1CCc2c1cccc2 a2f9a7034c524e36dce9da570b8eed38 [0,0,1,1,0,0|2,0,0]=4 3038 B13R2.1 CCN[C@@H]1CCc2c1cccc2 5aed7c7d3dcee97baa206f32f1362e41 [0,0,1,1,0,0|2,0,0]=4 3039 B13R2.1 CCN[C@H]1CCc2c1cccc2 f19fd7a3a0767a9c0a83a9bd087dc982 [0,0,1,1,0,0|2,0,0]=4 3040 B13R2.1 CCOC1CCc2c1cccc2 0a564ddb836ef50c1bf85fb2687fd49d [0,0,1,1,0,0|1,0,0]=3 3041 B13R2.1 CCOC1CCc2c1cccn2 c6c0f5cd67dfc92d9347f34d8def883b [0,0,1,1,0,0|2,0,0]=4 3042 B13R2.1 CCOC1CCc2c1ccnc2 441ac8e26c735e6d9097823a2774ca38 [0,0,1,1,0,0|2,0,0]=4 3043 B13R2.1 CCOC1CCc2c1nccc2 46712bc3b3957fef0d0bc81ccd2508cf [0,0,1,1,0,0|2,0,0]=4 3044 B13R2.1 CCOC1COc2c1cccc2 169b2661bfe6b350410e42b6f532c79d [0,0,1,1,0,0|2,0,0]=4 3045 B13R2.1 CCO[C@@H]1CCc2c1cccc2 d45cdcdf972d77a1482368de502027ba [0,0,1,1,0,0|1,0,0]=3 3046 B13R2.1 CCO[C@@H]1CCc2c1cccn2 739a4562b2841b730dd2ec77ecb5597d [0,0,1,1,0,0|2,0,0]=4 3047 B13R2.1 CCO[C@@H]1CCc2c1nccc2 d9478c8d6e3fa6b9f56b689a5a2f4ea9 [0,0,1,1,0,0|2,0,0]=4 3048 B13R2.1 CCO[C@H]1CCc2c1cccc2 9fc25a59177ef73a2d9f07d6b3cf667c [0,0,1,1,0,0|1,0,0]=3 3049 B13R2.1 CCO[C@H]1CCc2c1cccn2 7a0c9d9931ea97de8e992f51b791ed97 [0,0,1,1,0,0|2,0,0]=4 3050 B13R2.1 CCO[C@H]1CCc2c1nccc2 49fc56ef3be913f89d886a0adc99dfba [0,0,1,1,0,0|2,0,0]=4 3051 B13R2.1 FCOC1CCc2c1cccc2 220ffcfcb17950e6863e8cf7c77f0e80 [0,0,1,1,0,0|2,0,0]=4 3052 B13R2.1 FCO[C@@H]1CCc2c1cccc2 b81c2aa02363e23e2aa7fd5b72680552 [0,0,1,1,0,0|2,0,0]=4 3053 B13R2.1 FCO[C@H]1CCc2c1cccc2 f0246c395c555c6bc0fc361803df6be2 [0,0,1,1,0,0|2,0,0]=4 3054 B13R2.138 CCN1C(C1c2ccccc2)C 7347c18968ce51387f036d0fe33e59d8 [0,0,1,1,0,0|2,0,0]=4 3055 B13R2.138 CCN1[C@@H]([C@@H]1c2ccccc2)C 722e7bc8d7ea97c003f1ca9ceeeec978 [0,0,1,1,0,0|2,0,0]=4 3056 B13R2.453 CCNC1(CC1)c2ccccc2 48f50d697a9247d57ed0ac1ac22085e5 [0,0,1,1,0,0|2,0,0]=4 3057 B13R2.453 FCOC1(CC1)c2ccccc2 374ccb98ccb7a0931c1f147807704b86 [0,0,1,1,0,0|2,0,0]=4 3058 B13R2.17 CC1CC1NCc2ccccc2 4cfdb83dc2f71acc5d554cb409a717c1 [0,0,1,1,0,0|2,0,0]=4 3059 B13R2.17 F[C@@H]1C[C@@H]1NCc2ccccc2 9057fb3773bb37e850e9042278f52f9f [0,0,1,1,0,0|2,0,0]=4 3060 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 a39cd5d5b0b9ea9be80edae1c65369c8 [0,0,1,1,0,0|2,0,0]=4 3061 B13R2.17 F[C@H]1C[C@@H]1NCc2ccccc2 9d64da63517ba661c4fcc8089982ed2a [0,0,1,1,0,0|2,0,0]=4 3062 B13R2.50 OCN1C[C@@H]1Cc2ccccc2 23c338218cf740a486abdd836934ba8d [0,0,1,1,0,0|2,0,0]=4 3063 B13R2.50 OC[C@@H]1C[C@@H]1Nc2ccccc2 b25fe7a9e0e6df82ab17af5b293ded33 [0,0,1,1,0,0|2,0,0]=4 3064 B13R2.50 OC[C@@H]1C[C@H]1Nc2ccccc2 7ada4cf4faab81f6024b1c8d048f713e [0,0,1,1,0,0|2,0,0]=4 3065 B13R2.50 OC[C@H]1C[C@@H]1Nc2ccccc2 45bcb86784bb39a18fadb0ac9283526b [0,0,1,1,0,0|2,0,0]=4 3066 B13R2.57 OCN1CCc2ccccc2C1 272e6afe58584ab22f1180c6512179a8 [0,0,1,1,0,0|2,0,0]=4 3067 B13R2.2383 c1cc(ccn1)COC2CCC2 414cc323e86c3d6e275657e97583a6e3 [0,0,1,1,0,0|2,0,0]=4 3068 B13R2.2383 c1cc(cnn1)COC2COC2 a71cbe11e6706b30195dfbc63f20ff12 [0,0,1,1,0,0|2,0,0]=4 3069 B13R2.2383 c1cc(ncn1)COC2COC2 5b00118c30f07ca5c9a4787b3dfc594d [0,0,1,1,0,0|2,0,0]=4 3070 B13R2.2383 c1ccc(cc1)CNC2CCC2 3a6b392b1d26d51094292814d17ea686 [0,0,1,1,0,0|2,0,0]=4 3071 B13R2.2383 c1ccc(cc1)CNC2COC2 51d5165ff5651c61c73d43baba847d87 [0,0,1,1,0,0|1,0,0]=3 3072 B13R2.2383 c1ccc(cc1)COC2CCC2 f8bbcd5737453dbd625ce5790467cebd [0,0,1,1,0,0|1,0,0]=3 3073 B13R2.2383 c1ccc(cc1)COC2COC2 2c8e62ffef83aa8a09ed28b5aa67341f [0,0,1,1,0,0|0,0,0]=2 3074 B13R2.2383 c1ccc(cc1)COC2CSC2 b5a61bc7e3ee8b14ae3f92aa0cb8d4b8 [0,0,1,1,0,0|0,1,0]=3 3075 B13R2.2383 c1ccc(cc1)NCC2COC2 0546e72f0eb7c92451540454a2c852c0 [0,0,1,1,0,0|2,0,0]=4 3076 B13R2.2383 c1ccc(nc1)CNC2COC2 0d51ecf839465eff3d20be52611becaa [0,0,1,1,0,0|2,0,0]=4 3077 B13R2.2383 c1ccc(nc1)COC2CCC2 436da9ff77c45696333832c3d856d357 [0,0,1,1,0,0|2,0,0]=4 3078 B13R2.2383 c1ccc(nc1)COC2COC2 5e3815e68710e45d683f4941a6b117fe [0,0,1,1,0,0|1,0,0]=3 3079 B13R2.2383 c1ccc(nc1)COC2CSC2 3e14b2274a2a5e2ba750e80ab34d39e6 [0,0,1,1,0,0|1,1,0]=4 3080 B13R2.2383 c1cnc(nc1)COC2COC2 80e78ab91446895707b2337406d206c6 [0,0,1,1,0,0|2,0,0]=4 3081 B13R2.2383 c1cncc(c1)CNC2COC2 6f7cfda0c2ab85e4f669f6d8536f8bc8 [0,0,1,1,0,0|2,0,0]=4 3082 B13R2.2383 c1cncc(c1)COC2CCC2 81f50891d4d2e3c89ea5e8029e71ed4d [0,0,1,1,0,0|2,0,0]=4 3083 B13R2.2383 c1cncc(c1)COC2COC2 7f809c9194b47312ec512e8d6a4f19fb [0,0,1,1,0,0|1,0,0]=3 3084 B13R2.2383 c1cncc(c1)COC2CSC2 ce1ba0e87767501258909d065551dda4 [0,0,1,1,0,0|1,1,0]=4 3085 B13R2.2383 c1cnnc(c1)COC2COC2 b6e4c6378a8aa53327f84dcf49a1a2b2 [0,0,1,1,0,0|2,0,0]=4 3086 B13R2.2383 c1ncc(cn1)COC2COC2 938000eef66420f937fc85038bf93984 [0,0,1,1,0,0|2,0,0]=4 3087 B13R2.3203 CC1(CC1)NCc2ccccc2 95cfa4c5deeec624a45ab39a0fdc89eb [0,0,1,1,0,0|2,0,0]=4 3088 B13R2.25 CCCN1CC1c2ccccc2 e270c901fde378e5c915d14628fd0592 [0,0,1,1,0,0|2,0,0]=4 3089 B13R2.25 CCCN1C[C@@H]1c2ccccc2 9063dd0d8d5190fbb4159a798af783d6 [0,0,1,1,0,0|2,0,0]=4 3090 B13R2.690 CC(OC1CC1)c2ccncc2 86ea1f10cb4707bb64ccd07f88bbc503 [0,0,1,1,0,0|2,0,0]=4 3091 B13R2.690 C[C@@H](OC1CC1)c2ccncc2 8ba3d30b5c4cd24b8e0873ee70f20834 [0,0,1,1,0,0|2,0,0]=4 3092 B13R2.690 C[C@H](OC1CC1)c2ccncc2 7d394ee3b1351bdbdc71e0cc106ade45 [0,0,1,1,0,0|2,0,0]=4 3093 B13R2.1028 CCCOC1Cc2c1cccc2 0470c60c37869bb43c73e5e5e5c4bf2d [0,0,1,1,0,0|1,0,0]=3 3094 B13R2.1028 COCOC1Cc2c1cccc2 927a59388f78a5f962d05f55d496f0c4 [0,0,1,1,0,0|2,0,0]=4 3095 B13R2.1028 CSCOC1Cc2c1cccc2 968223ea9c654e3f76363956026e734a [0,0,1,1,0,0|2,0,0]=4 3096 B13R2.1028 FCCOC1Cc2c1cccc2 b3ed370ae3d61281334bfcf677ac7106 [0,0,1,1,0,0|2,0,0]=4 3097 B13R2.1028 SCCOC1Cc2c1cccc2 2397833ed9359e3aa79756a8dda1433f [0,0,1,1,0,0|2,0,0]=4 3098 B13R2.423 CC(C)N1CC1c2ccccc2 18f4891ac6aabb6616be1fee9081b7fc [0,0,1,1,0,0|2,0,0]=4 3099 B13R2.423 CC(C)N1C[C@@H]1c2ccccc2 3bf2363aada52a88447fe37132928179 [0,0,1,1,0,0|2,0,0]=4 3100 B13R2.5881 CC(C)OC1Cc2c1cccc2 0e53db9fba641338134d98c1f8ac06b0 [0,0,1,1,0,0|1,0,0]=3 3101 B13R2.31 FC1CN(C1)Cc2ccccc2 11bcd9d3b1770453c4c550c6eff15e2a [0,0,1,1,0,0|2,0,0]=4 3102 B13R2.31 OC1CC(C1)Nc2ccccc2 71a911754938dd37972ada3ece1543ca [0,0,1,1,0,0|2,0,0]=4 3103 B13R2.31 OC1CN(C1)Cc2ccccc2 0f2d1ffeab9162a1a1611f924b72d074 [0,0,1,1,0,0|1,0,0]=3 3104 B13R2.31 OC1CN(C1)Cc2ccccn2 e39284a2f035eae0a1a0d83c31d97ddc [0,0,1,1,0,0|2,0,0]=4 3105 B13R2.31 OC1CN(C1)Cc2cccnc2 d4775bfc9a576a7f7765658ad2c8a474 [0,0,1,1,0,0|2,0,0]=4 3106 B13R2.31 O[C@H]1C[C@@H](C1)Nc2ccccc2 641154e36386b330b5a15763bdae2c55 [0,0,1,1,0,0|2,0,0]=4 3107 B13R2.31 O[C@H]1C[C@H](C1)Nc2ccccc2 d2b195e256c89f17ba7eddc9ef42ea1b [0,0,1,1,0,0|2,0,0]=4 3108 B13R2.187 CC1(CN1Cc2ccccc2)C 809486764f942be742a7f44bea5d4c20 [0,0,1,1,0,0|2,0,0]=4 3109 B13R2.2382 c1cc(ccn1)COCC2CC2 8e9f342a1f1338ebfe3e0fc85a1adbcc [0,0,1,1,0,0|2,0,0]=4 3110 B13R2.2382 c1ccc(cc1)CNCC2CC2 80cb94d2a5ebc9f070dab6079001726b [0,0,1,1,0,0|2,0,0]=4 3111 B13R2.2382 c1ccc(cc1)COCC2CC2 d94b6c445a4cec9ce9fd36dbab98e454 [0,0,1,1,0,0|1,0,0]=3 3112 B13R2.2382 c1ccc(nc1)COCC2CC2 dcec08f65100a950b995b893d71f3651 [0,0,1,1,0,0|2,0,0]=4 3113 B13R2.2382 c1cncc(c1)COCC2CC2 0a913cf9f29ab010c40b67f584f65f33 [0,0,1,1,0,0|2,0,0]=4 3114 B11R1.25 CC(CF)OCc1ccco1 7a6c9d5edc9a65d3a477e45540cf06b6 [0,0,1,0,1,0|2,0,0]=4 3115 B11R1.25 CC(CF)OCc1cccs1 c61d4203ee490fd4ec0504a095cf3419 [0,0,1,0,1,0|2,0,0]=4 3116 B11R1.25 CC(CF)OCc1ccsc1 3d5721e2e55e32c72e1ebcdffe69b54b [0,0,1,0,1,0|2,0,0]=4 3117 B11R1.25 CC(CO)NCc1cc[nH]c1 877ba2184a0c7d8eb73e144ae5917dae [0,0,1,0,1,0|2,0,0]=4 3118 B11R1.25 CC(CO)NCc1ccc[nH]1 3badc24526bcc1179321e6501359d917 [0,0,1,0,1,0|2,0,0]=4 3119 B11R1.25 CC(CO)NCc1ccco1 e11a1dcc997402b9ca10ebd6c1d728d8 [0,0,1,0,1,0|2,0,0]=4 3120 B11R1.25 CC(CO)NCc1cccs1 00a9c9f16ef261f122a5837659fa4e9f [0,0,1,0,1,0|2,0,0]=4 3121 B11R1.25 CC(CO)NCc1ccoc1 e6df631b5f401ce02b113655fd204a1b [0,0,1,0,1,0|2,0,0]=4 3122 B11R1.25 CC(CO)NCc1ccsc1 d2434e6f52dabfae333338bcfa32ddbe [0,0,1,0,1,0|2,0,0]=4 3123 B11R1.25 CC(CS)OCc1cccs1 faf25675285219dbed4aac1af10ed644 [0,0,1,0,1,0|1,1,0]=4 3124 B11R1.25 CC(CS)OCc1ccsc1 36ed2ff5c4bde839075abfb5e571e39d [0,0,1,0,1,0|1,1,0]=4 3125 B11R1.25 CCC(C)OCc1cc[nH]c1 8f3f6052fcdb822b3d965a714d3b9aad [0,0,1,0,1,0|2,0,0]=4 3126 B11R1.25 CCC(C)OCc1ccc[nH]1 9704405f8dd480f3861820e81be98d46 [0,0,1,0,1,0|2,0,0]=4 3127 B11R1.25 CCC(C)OCc1ccco1 1d3865e51cab5c0be5992c253ab61007 [0,0,1,0,1,0|2,0,0]=4 3128 B11R1.25 CCC(C)OCc1cccs1 ed5b0e54c3ce9b4fbd0e1c89d3109802 [0,0,1,0,1,0|2,0,0]=4 3129 B11R1.25 CCC(C)OCc1ccsc1 9f2e6bf6ffce700beda1cd6b46d3b590 [0,0,1,0,1,0|2,0,0]=4 3130 B11R1.25 CC[C@@H](C)OCc1ccco1 a76b1dfd367e870139dad05cc969c789 [0,0,1,0,1,0|2,0,0]=4 3131 B11R1.25 CC[C@@H](C)OCc1cccs1 3647e5c786191fbccae15396ed3cbc17 [0,0,1,0,1,0|2,0,0]=4 3132 B11R1.25 CC[C@@H](C)OCc1ccsc1 87d13b0324c22f47d422c68cae09d978 [0,0,1,0,1,0|2,0,0]=4 3133 B11R1.25 CC[C@H](C)OCc1ccco1 f9cdf73fec17b5adbe5d6d95690f8ec6 [0,0,1,0,1,0|2,0,0]=4 3134 B11R1.25 CC[C@H](C)OCc1cccs1 bd45cdf2dba9c6543a04d66b2d5ac835 [0,0,1,0,1,0|2,0,0]=4 3135 B11R1.25 CC[C@H](C)OCc1ccsc1 eece2c50364b12157d82dbdea6704f0f [0,0,1,0,1,0|2,0,0]=4 3136 B11R1.25 C[C@@H](CO)NCc1cc[nH]c1 9cf6fea2d87a0365fb814687749c5087 [0,0,1,0,1,0|2,0,0]=4 3137 B11R1.25 C[C@@H](CO)NCc1ccc[nH]1 ef9ac39ef16e2c829e4a3ac58e5822d9 [0,0,1,0,1,0|2,0,0]=4 3138 B11R1.25 C[C@@H](CO)NCc1ccco1 2b9b1d2922178f6f79ded161cd99a8d3 [0,0,1,0,1,0|2,0,0]=4 3139 B11R1.25 C[C@@H](CO)NCc1cccs1 d8fcc910bc3e48f8aa76ce1963b2b15b [0,0,1,0,1,0|2,0,0]=4 3140 B11R1.25 C[C@@H](CO)NCc1ccoc1 7a372abb1697576859682d94c0140c30 [0,0,1,0,1,0|2,0,0]=4 3141 B11R1.25 C[C@@H](CO)NCc1ccsc1 56f681eb39e98203a9e4ca448f1fbc26 [0,0,1,0,1,0|2,0,0]=4 3142 B11R1.25 C[C@H](CO)NCc1cc[nH]c1 36d4de56e28aab4498d9687d1a30419f [0,0,1,0,1,0|2,0,0]=4 3143 B11R1.25 C[C@H](CO)NCc1ccc[nH]1 7318914e1b5735f2e8c544fefe9a8c93 [0,0,1,0,1,0|2,0,0]=4 3144 B11R1.25 C[C@H](CO)NCc1ccco1 d1c1d3584d51f54226efd246214dd928 [0,0,1,0,1,0|2,0,0]=4 3145 B11R1.25 C[C@H](CO)NCc1cccs1 3a6767b03ae7d2d9b73ba88d96827a42 [0,0,1,0,1,0|2,0,0]=4 3146 B11R1.25 C[C@H](CO)NCc1ccoc1 4e74c5fe422c084f8cf7d614a73791a9 [0,0,1,0,1,0|2,0,0]=4 3147 B11R1.25 C[C@H](CO)NCc1ccsc1 e18ec142a4c6aff0cf7600c1a120be0d [0,0,1,0,1,0|2,0,0]=4 3148 B11R1.25 C[C@H](CS)OCc1cccs1 4b5c8f53d7fe4176851f153a261ea2f8 [0,0,1,0,1,0|1,1,0]=4 3149 B11R1.25 C[C@H](CS)OCc1ccsc1 6d9f4d7c9730ad8228456398abc2da2e [0,0,1,0,1,0|1,1,0]=4 3150 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [0,0,1,0,1,0|1,0,0]=3 3151 B11R1.40 CC(CO)Nc1ccccn1 2e21620844440b7bb083395c24fa5d12 [0,0,1,0,1,0|2,0,0]=4 3152 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,0,1,0,1,0|2,0,0]=4 3153 B11R1.40 CC(CO)Nc1ccncc1 014df859a1aaecd67e68db71b7c7ef69 [0,0,1,0,1,0|2,0,0]=4 3154 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,0,1,0,1,0|2,0,0]=4 3155 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [0,0,1,0,1,0|2,0,0]=4 3156 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,0,1,0,1,0|2,0,0]=4 3157 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [0,0,1,0,1,0|2,0,0]=4 3158 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,0,1,0,1,0|2,0,0]=4 3159 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,0,1,0,1,0|2,0,0]=4 3160 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,0,1,0,1,0|2,0,0]=4 3161 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [0,0,1,0,1,0|2,0,0]=4 3162 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [0,0,1,0,1,0|1,0,0]=3 3163 B11R1.40 CN(CO)Cc1ccccn1 a4ef6b4247ef0972f7871752389806bb [0,0,1,0,1,0|2,0,0]=4 3164 B11R1.40 CN(CO)Cc1cccnc1 bdae5dd3c0107b4a15ddef98331c4b4c [0,0,1,0,1,0|2,0,0]=4 3165 B11R1.40 CN(CO)Cc1ccncc1 82d474736717cd4ad3b664282e77f89c [0,0,1,0,1,0|2,0,0]=4 3166 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [0,0,1,0,1,0|1,0,0]=3 3167 B11R1.40 C[C@@H](CO)Nc1ccccn1 9ac7427612f5553e5180ee81712e35fd [0,0,1,0,1,0|2,0,0]=4 3168 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,0,1,0,1,0|2,0,0]=4 3169 B11R1.40 C[C@@H](CO)Nc1ccncc1 495de922b28b07b689b24b08a715b1b6 [0,0,1,0,1,0|2,0,0]=4 3170 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [0,0,1,0,1,0|1,0,0]=3 3171 B11R1.40 C[C@H](CO)Nc1ccccn1 01d2d5e2403842048f8ac810f41680f1 [0,0,1,0,1,0|2,0,0]=4 3172 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,0,1,0,1,0|2,0,0]=4 3173 B11R1.40 C[C@H](CO)Nc1ccncc1 12aec410035ef0ee1b8933a8e56e1a8b [0,0,1,0,1,0|2,0,0]=4 3174 B11R1.77 CC(C)OC(C)c1cccs1 4a80191c016c84671367c15c4ce54900 [0,0,1,0,1,0|2,0,0]=4 3175 B11R1.77 CC(C)OC(C)c1ccoc1 7604f58eca36b73b95b746c0c402b613 [0,0,1,0,1,0|2,0,0]=4 3176 B11R1.77 CC(C)OC(C)c1ccsc1 d548336f1cceebabf041e38e4c99890a [0,0,1,0,1,0|2,0,0]=4 3177 B11R1.77 CC(C)O[C@@H](C)c1cccs1 557a9cdd57ebf18ee8f272b45845d97f [0,0,1,0,1,0|2,0,0]=4 3178 B11R1.77 CC(C)O[C@H](C)c1cccs1 85c06e1ba647c2cb8d6053f8c6d14fe3 [0,0,1,0,1,0|2,0,0]=4 3179 B11R1.172 CC(C)COCc1cc[nH]c1 d32a56aaff287a7a2d3ee05c33df49e4 [0,0,1,0,1,0|2,0,0]=4 3180 B11R1.172 CC(C)COCc1ccc[nH]1 5a8c3097a96460e302a65efef3ee13ad [0,0,1,0,1,0|2,0,0]=4 3181 B11R1.172 CC(C)COCc1ccco1 99062e49951b35e6277ae5df50b7eb8b [0,0,1,0,1,0|2,0,0]=4 3182 B11R1.172 CC(C)COCc1cccs1 9d12584da4da3768cc88ad1ee50f3323 [0,0,1,0,1,0|2,0,0]=4 3183 B11R1.172 CC(C)COCc1ccoc1 f9f3dacca4368645a18802fe7b1f131d [0,0,1,0,1,0|2,0,0]=4 3184 B11R1.172 CC(C)COCc1ccsc1 5f9ec88250d33adb77f1a6ab8ef0f92a [0,0,1,0,1,0|2,0,0]=4 3185 B11R1.172 CC(F)COCc1ccco1 d0f129770505d2aafab7a0041834f6ad [0,0,1,0,1,0|2,0,0]=4 3186 B11R1.172 CC(F)COCc1cccs1 9035fc746e51d6905252026e3e6a2ce5 [0,0,1,0,1,0|2,0,0]=4 3187 B11R1.172 CC(F)COCc1ccsc1 5179ea0463970cefa06fb626c4d223d4 [0,0,1,0,1,0|2,0,0]=4 3188 B11R1.172 CC(O)CNCc1cc[nH]c1 9f9b0963ff0e2429adb0240f34bc16dd [0,0,1,0,1,0|2,0,0]=4 3189 B11R1.172 CC(O)CNCc1ccc[nH]1 65c95582f301464d7f62eb60cd967e76 [0,0,1,0,1,0|2,0,0]=4 3190 B11R1.172 CC(O)CNCc1ccco1 dba85ac96ca60610e6077e0d05d62bcd [0,0,1,0,1,0|2,0,0]=4 3191 B11R1.172 CC(O)CNCc1cccs1 18715149f7e8e0c045513c4ae4cdb762 [0,0,1,0,1,0|2,0,0]=4 3192 B11R1.172 CC(O)CNCc1ccoc1 c05e4a8d2cf400a602ecf2a2d20445f6 [0,0,1,0,1,0|2,0,0]=4 3193 B11R1.172 CC(O)CNCc1ccsc1 578d60fe25eabb7af2d41b2ed5be0bda [0,0,1,0,1,0|2,0,0]=4 3194 B11R1.172 CC(S)COCc1ccco1 64d0adfb42f5538807c786da49eb2388 [0,0,1,0,1,0|1,1,0]=4 3195 B11R1.172 CC(S)COCc1cccs1 d767ed87ab446f6cba115b5caffd9073 [0,0,1,0,1,0|1,1,0]=4 3196 B11R1.172 CC(S)COCc1ccsc1 444ab4c19c1694f40c00ba1d864d6f21 [0,0,1,0,1,0|1,1,0]=4 3197 B11R1.172 C[C@@H](F)COCc1ccco1 d6b942e64f19e537e65fb887839c99a6 [0,0,1,0,1,0|2,0,0]=4 3198 B11R1.172 C[C@@H](F)COCc1cccs1 39fbb95f05fba443250a39ac0e069ade [0,0,1,0,1,0|2,0,0]=4 3199 B11R1.172 C[C@@H](F)COCc1ccsc1 9f150012771be753bab76edc1000ed18 [0,0,1,0,1,0|2,0,0]=4 3200 B11R1.172 C[C@@H](O)CNCc1cc[nH]c1 0e203e4cf1ed106d736b7c5367ffc968 [0,0,1,0,1,0|2,0,0]=4 3201 B11R1.172 C[C@@H](O)CNCc1ccc[nH]1 66008730529aa8d24f63c6ffa76df555 [0,0,1,0,1,0|2,0,0]=4 3202 B11R1.172 C[C@@H](O)CNCc1ccco1 63796111ed16563c371374fd22b9d739 [0,0,1,0,1,0|2,0,0]=4 3203 B11R1.172 C[C@@H](O)CNCc1cccs1 8182a9769f3affdaa5bb920d0c744883 [0,0,1,0,1,0|2,0,0]=4 3204 B11R1.172 C[C@@H](O)CNCc1ccsc1 8364c0a011f7ef78e915fb7db6b3ce9a [0,0,1,0,1,0|2,0,0]=4 3205 B11R1.172 C[C@H](F)COCc1ccco1 fbf7bd3431d8f8c5f513c23259a8679a [0,0,1,0,1,0|2,0,0]=4 3206 B11R1.172 C[C@H](F)COCc1cccs1 a5ac52ecaa06dd8381bf8a23ee830366 [0,0,1,0,1,0|2,0,0]=4 3207 B11R1.172 C[C@H](F)COCc1ccsc1 78c5bfeb085bc53c291a77ec64a5637c [0,0,1,0,1,0|2,0,0]=4 3208 B11R1.172 C[C@H](O)CNCc1cc[nH]c1 ef1e595646e0c92a9a0a3d806106769d [0,0,1,0,1,0|2,0,0]=4 3209 B11R1.172 C[C@H](O)CNCc1ccc[nH]1 616d8946b697237869f21f091970eb52 [0,0,1,0,1,0|2,0,0]=4 3210 B11R1.172 C[C@H](O)CNCc1ccco1 14b70b5b444307109cbe8cf07983b605 [0,0,1,0,1,0|2,0,0]=4 3211 B11R1.172 C[C@H](O)CNCc1cccs1 e5211f0f37be1102ed21362e3ecf1a4a [0,0,1,0,1,0|2,0,0]=4 3212 B11R1.172 C[C@H](O)CNCc1ccoc1 0067a311d9970e551754a6d67d461fe2 [0,0,1,0,1,0|2,0,0]=4 3213 B11R1.172 C[C@H](O)CNCc1ccsc1 e805f7552cfc98b120bc98413fb119ef [0,0,1,0,1,0|2,0,0]=4 3214 B13R1.79 C#CC(Cc1ccccc1)OCC baba28c2f1d3738679598657e5199de8 [0,0,1,0,0,1|1,0,1]=4 3215 B13R1.79 CCC(Cc1ccccc1)OCF 00c99e7ba34e94b94f177f568be8e312 [0,0,1,0,0,1|2,0,0]=4 3216 B13R1.79 CCCC(CC)Nc1ccccc1 6e61d1760ae1faff4fa5b3b1f6312d06 [0,0,1,0,0,1|2,0,0]=4 3217 B13R1.79 CCNC(CC)Cc1ccccc1 002ed484243067e94ed6831a206c686f [0,0,1,0,0,1|2,0,0]=4 3218 B13R1.79 CCOC(CC)Cc1ccccc1 5414cfbea073f7356f1655cdb43b6ed6 [0,0,1,0,0,1|1,0,0]=3 3219 B13R1.79 CCOC(CC)Cc1ccccn1 c0d13ef534a0f1edceceb8e56de3eb7b [0,0,1,0,0,1|2,0,0]=4 3220 B13R1.44 CC(Cc1ccccc1)OCCF 40c0d1fb211b589ef3fa26aebde3a13f [0,0,1,0,0,1|2,0,0]=4 3221 B13R1.44 CC(Cc1ccccc1)OCCS eee651bccc078c60c2c124960fd1edd5 [0,0,1,0,0,1|2,0,0]=4 3222 B13R1.44 CCCCC(C)Nc1ccccc1 33a32ffda6f8f10c0a3dafe37790b50b [0,0,1,0,0,1|2,0,0]=4 3223 B13R1.44 CCCC[C@@H](C)Nc1ccccc1 a81b81af0c0ad2ccc8b90d851da74931 [0,0,1,0,0,1|2,0,0]=4 3224 B13R1.44 CCCOC(C)Cc1ccccc1 0d6e3fc488ed6570a7168edeaecd186c [0,0,1,0,0,1|1,0,0]=3 3225 B13R1.44 CCCOC(C)Cc1ccccn1 94f180fb14efb678ae5b94b8a114d053 [0,0,1,0,0,1|2,0,0]=4 3226 B13R1.44 CCCO[C@@H](C)Cc1ccccc1 3b4dd1b88c8a6095ff95285b4bf0c213 [0,0,1,0,0,1|1,0,0]=3 3227 B13R1.44 CCCO[C@H](C)Cc1ccccc1 86496af3292741ec4d8a65d7a8599233 [0,0,1,0,0,1|1,0,0]=3 3228 B13R1.44 CCNCC(O)Cc1ccccc1 113d746b76c120a3b54e335fef68cfe0 [0,0,1,0,0,1|2,0,0]=4 3229 B13R1.44 CSCOC(C)Cc1ccccc1 d47eb7c2add4cd77a238aaa487c41e75 [0,0,1,0,0,1|2,0,0]=4 3230 B13R1.44 CSCO[C@@H](C)Cc1ccccc1 a4c62954b462c72460667b177c2c1967 [0,0,1,0,0,1|2,0,0]=4 3231 B13R1.44 CSCO[C@H](C)Cc1ccccc1 7a09f89b34308b5d0baa28a6445feb4b [0,0,1,0,0,1|2,0,0]=4 3232 B13R1.44 C[C@@H](Cc1ccccc1)OCCF adba34a14ed1f92e1af6eb0b6e97a5ec [0,0,1,0,0,1|2,0,0]=4 3233 B13R1.44 C[C@@H](Cc1ccccc1)OCCS 5758e84ff221c2386d02535eac8a32e6 [0,0,1,0,0,1|2,0,0]=4 3234 B13R1.44 C[C@H](Cc1ccccc1)OCCF 18fbc53f40b2dd24993aec64b50307bf [0,0,1,0,0,1|2,0,0]=4 3235 B13R1.44 C[C@H](Cc1ccccc1)OCCS 1c77b2735448efeb08b15e0d9fc3458a [0,0,1,0,0,1|2,0,0]=4 3236 B13R1.337 C/C(=C/COCc1ccccc1)/Cl 1a6bd15a40cefe46357eafce25c63e80 [0,0,1,0,0,1|1,0,1]=4 3237 B13R1.337 C/C(=C/COCc1ccccc1)/I 4877cf473278110790d2bac7cf778df9 [0,0,1,0,0,1|1,0,1]=4 3238 B13R1.337 C/C(=C\COCc1ccccc1)/Cl 26d23693cfbe09ff19e73efb558a1108 [0,0,1,0,0,1|1,0,1]=4 3239 B13R1.337 C=C(C)CCOCc1ccccc1 f1f833f7ffe7ac0efc7e8e372d42a942 [0,0,1,0,0,1|1,0,1]=4 3240 B13R1.337 C=C(C)COCCc1ccccc1 bb47dba412913fd69c05f208256c3165 [0,0,1,0,0,1|1,0,1]=4 3241 B13R1.337 CC(=CCOCc1ccccc1)C dc5428f5af33b602923aed19bb2b52fd [0,0,1,0,0,1|1,0,1]=4 3242 B13R1.337 CC(=CCOCc1ccccc1)Cl 12d7f2ab27601656c26938bb43705bd3 [0,0,1,0,0,1|1,0,1]=4 3243 B13R1.337 CC(=CCOCc1ccccc1)I 9085b09f13322162d51c643bfa4b38d8 [0,0,1,0,0,1|1,0,1]=4 3244 B13R1.337 CC(=O)CCOCc1ccccc1 cd809ee0733413cdafcbf7a64d37b288 [0,0,1,0,0,1|0,0,2]=4 3245 B13R1.337 CC(=O)COCCc1ccccc1 b21215f0294db45e86870204260f53f2 [0,0,1,0,0,1|0,0,2]=4 3246 B13R1.337 CC(=O)NCOCc1ccccc1 1af0909d000886beedd618909e7c680f [0,0,1,0,0,1|0,0,2]=4 3247 B13R1.337 CC(=O)OCOCc1ccccc1 35cc5582b027264c8a1b89253e9fdfe4 [0,0,1,0,0,1|0,0,2]=4 3248 B13R1.337 CC(C)CCCNc1ccccc1 c82a8703c7f6bacdc28ba024d517baa2 [0,0,1,0,0,1|2,0,0]=4 3249 B13R1.337 CC(C)CCNCc1ccccc1 1e688087bf103ef5abb70549de5710ec [0,0,1,0,0,1|2,0,0]=4 3250 B13R1.337 CC(C)CCOCc1ccccc1 b9a2e4d50d414109e50fcb33258261ee [0,0,1,0,0,1|1,0,0]=3 3251 B13R1.337 CC(C)CCOCc1ccccn1 02c5facde60119427fc0e1bd134b071a [0,0,1,0,0,1|2,0,0]=4 3252 B13R1.337 CC(C)CCOCc1cccnc1 16559d4279cb702f2adce6f17203371a [0,0,1,0,0,1|2,0,0]=4 3253 B13R1.337 CC(C)CCOCc1ccncc1 518cab7758e231497cea7b026594978a [0,0,1,0,0,1|2,0,0]=4 3254 B13R1.337 CC(C)CNCCc1ccccc1 f16bae1bab4fffecad912c27055afc90 [0,0,1,0,0,1|2,0,0]=4 3255 B13R1.337 CC(C)CNCSc1ccccc1 3bc8641eae9466bc9857e5eda44bb5a4 [0,0,1,0,0,1|2,0,0]=4 3256 B13R1.337 CC(C)COCCc1ccccc1 9d79219b725a9770020e16740c174e35 [0,0,1,0,0,1|1,0,0]=3 3257 B13R1.337 CC(C)COCCc1ccccn1 9d35d874685cdfba0dfc7eb62abfa758 [0,0,1,0,0,1|2,0,0]=4 3258 B13R1.337 CC(C)COCCc1cccnc1 11c129e0cd29e06939cfb59230be4c91 [0,0,1,0,0,1|2,0,0]=4 3259 B13R1.337 CC(C)COCCc1ccncc1 a9a6e0c94b48739f9c88c187b5c30a97 [0,0,1,0,0,1|2,0,0]=4 3260 B13R1.337 CC(C)NCCCc1ccccc1 552e4f45cfe8a6dda608f5fb032f73f5 [0,0,1,0,0,1|2,0,0]=4 3261 B13R1.337 CC(C)OCCCc1ccccc1 742e1fa75290dae4f0a256e8c200b37d [0,0,1,0,0,1|2,0,0]=4 3262 B13R1.337 CC(C)OCNCc1ccccc1 f4f4760fb0314459d5763a2b5fdca637 [0,0,1,0,0,1|2,0,0]=4 3263 B13R1.337 CC(C)OCOCc1ccccn1 38b356543f964c28272545fcd9a7fef2 [0,0,1,0,0,1|2,0,0]=4 3264 B13R1.337 CC(C)OCOCc1cccnc1 b9be0ce1be6051ec313ab10eaf69ef62 [0,0,1,0,0,1|2,0,0]=4 3265 B13R1.337 CC(C)OCOCc1ccncc1 4f077f2ac3521eb20fe68ec50aa75aff [0,0,1,0,0,1|2,0,0]=4 3266 B13R1.337 CC(C)OCSCc1ccccc1 4dec8c95093f89c50131d4e494f4bdf2 [0,0,1,0,0,1|1,1,0]=4 3267 B13R1.337 CC(F)COCCc1ccccc1 b88b84139ff28c4dba49e80922dfc527 [0,0,1,0,0,1|1,0,0]=3 3268 B13R1.337 CC(F)COCCc1ccccn1 cd3269008528377c2532be03a6c22b7a [0,0,1,0,0,1|2,0,0]=4 3269 B13R1.337 CC(F)COCCc1cccnc1 a755aebc088fdff610f1783889cf27e7 [0,0,1,0,0,1|2,0,0]=4 3270 B13R1.337 CC(F)COCCc1ccncc1 cd4acabb96c814c8dc3b9633b607d5b6 [0,0,1,0,0,1|2,0,0]=4 3271 B13R1.337 CC(O)CCCNc1ccccc1 e1481daff7134e6c32163687714ef7b4 [0,0,1,0,0,1|1,0,0]=3 3272 B13R1.337 CC(O)CCCNc1ccccn1 c41566a209329c15500b283f331d8db0 [0,0,1,0,0,1|2,0,0]=4 3273 B13R1.337 CC(O)CCCNc1cccnc1 b3f77fcb0af3672be4c1835eee34c474 [0,0,1,0,0,1|2,0,0]=4 3274 B13R1.337 CC(O)CCCNc1ccncc1 cf7e61fbe26384720758599e8ec390f8 [0,0,1,0,0,1|2,0,0]=4 3275 B13R1.337 CC(O)CCNCc1ccccc1 cfa220d842ce3cae8909bfde7ef82284 [0,0,1,0,0,1|1,0,0]=3 3276 B13R1.337 CC(O)CCNCc1ccccn1 4dce02551de73786b0164f0a70a73f58 [0,0,1,0,0,1|2,0,0]=4 3277 B13R1.337 CC(O)CCNCc1cccnc1 b67c6453b0bd7c3134aa8790d323a7c0 [0,0,1,0,0,1|2,0,0]=4 3278 B13R1.337 CC(O)CCNCc1ccncc1 54be9c9c1b32120dceed8636a5c31518 [0,0,1,0,0,1|2,0,0]=4 3279 B13R1.337 CC(O)CNCCc1ccccc1 a17feeb1b67999943657abdea68adf32 [0,0,1,0,0,1|1,0,0]=3 3280 B13R1.337 CC(O)CNCCc1ccccn1 268379154892fe1c09468e2e1eb13e7d [0,0,1,0,0,1|2,0,0]=4 3281 B13R1.337 CC(O)CNCCc1cccnc1 af7cb075f6747b955e6b90bdab6d87e1 [0,0,1,0,0,1|2,0,0]=4 3282 B13R1.337 CC(O)CNCCc1ccncc1 160e3ad61e755edd52a9c93cf0d47bd8 [0,0,1,0,0,1|2,0,0]=4 3283 B13R1.337 CC(S)COCCc1ccccc1 1401e2c2628cc7296975b60d2c489fa0 [0,0,1,0,0,1|0,1,0]=3 3284 B13R1.337 CC(S)COCCc1ccccn1 664565a46f29b2f4ac51dffb1ebf890b [0,0,1,0,0,1|1,1,0]=4 3285 B13R1.337 CC(S)COCCc1cccnc1 dff381eb74c162404a00ef74a13d93e8 [0,0,1,0,0,1|1,1,0]=4 3286 B13R1.337 CC(S)COCCc1ccncc1 88b324a0d11297a1d788a4e0d9113a20 [0,0,1,0,0,1|1,1,0]=4 3287 B13R1.337 CN(C)CCOCc1ccccc1 a35121ed4de0a81e5c46c843404814ef [0,0,1,0,0,1|2,0,0]=4 3288 B13R1.337 CN(C)COCCc1ccccc1 388ebe28b60edfd4e1da7289ebe68ac0 [0,0,1,0,0,1|2,0,0]=4 3289 B13R1.337 CS(=O)CCOCc1ccccc1 1ecc10915ad29850bfa7b422fb3bb544 [0,0,1,0,0,1|1,0,1]=4 3290 B13R1.337 C[C@@H](F)COCCc1ccccc1 324a42257d14510e2a4b2220aecdbdf4 [0,0,1,0,0,1|1,0,0]=3 3291 B13R1.337 C[C@@H](F)COCCc1ccccn1 7453a04e7a585ea113c0565c71541bf4 [0,0,1,0,0,1|2,0,0]=4 3292 B13R1.337 C[C@@H](F)COCCc1cccnc1 07a8e36e0b8179cbb4b33dfa1d419a7c [0,0,1,0,0,1|2,0,0]=4 3293 B13R1.337 C[C@@H](F)COCCc1ccncc1 ecf42f71bbb702e1f109917230b13e4f [0,0,1,0,0,1|2,0,0]=4 3294 B13R1.337 C[C@@H](O)CCNCc1ccccc1 9f24edf605181e24106c0c6050c94c8d [0,0,1,0,0,1|1,0,0]=3 3295 B13R1.337 C[C@@H](O)CCNCc1ccccn1 5d455c49f6b415415e0d28e092776cb7 [0,0,1,0,0,1|2,0,0]=4 3296 B13R1.337 C[C@@H](O)CCNCc1cccnc1 c159199acccb7a1c441cf22ff19a36b0 [0,0,1,0,0,1|2,0,0]=4 3297 B13R1.337 C[C@@H](O)CNCCc1ccccc1 35b5f13fb946c3a825fbd6735657a24e [0,0,1,0,0,1|1,0,0]=3 3298 B13R1.337 C[C@@H](O)CNCCc1ccccn1 c43c4f83289564e6983603813bd4d4e1 [0,0,1,0,0,1|2,0,0]=4 3299 B13R1.337 C[C@@H](O)CNCCc1cccnc1 a0ff3134a7a37d756db8079baf9632e2 [0,0,1,0,0,1|2,0,0]=4 3300 B13R1.337 C[C@@H](O)CNCCc1ccncc1 adeffa3c3ce831339aa9ef3c7b63077a [0,0,1,0,0,1|2,0,0]=4 3301 B13R1.337 C[C@H](F)COCCc1ccccc1 479d61bd28093766e98c2d08317df7a7 [0,0,1,0,0,1|1,0,0]=3 3302 B13R1.337 C[C@H](F)COCCc1ccccn1 b9e4cc640150acb06e931d7d17239af3 [0,0,1,0,0,1|2,0,0]=4 3303 B13R1.337 C[C@H](F)COCCc1cccnc1 fe3d6b5f6977d4a4409a5164ab864fb0 [0,0,1,0,0,1|2,0,0]=4 3304 B13R1.337 C[C@H](F)COCCc1ccncc1 04620e32be78ac17aee61b4397f76dfd [0,0,1,0,0,1|2,0,0]=4 3305 B13R1.337 C[C@H](O)CCNCc1ccccc1 01aee1d49778ff0afdde520c75c72c5a [0,0,1,0,0,1|1,0,0]=3 3306 B13R1.337 C[C@H](O)CCNCc1ccccn1 60298be12bf14aca760f8f9698717ae5 [0,0,1,0,0,1|2,0,0]=4 3307 B13R1.337 C[C@H](O)CCNCc1cccnc1 dae5c606c3c2e43d7ac0fe2eded2d19a [0,0,1,0,0,1|2,0,0]=4 3308 B13R1.337 C[C@H](O)CNCCc1ccccc1 92faadc7c13ae1e992b2047adf854f5f [0,0,1,0,0,1|1,0,0]=3 3309 B13R1.337 C[C@H](O)CNCCc1ccccn1 9c39f185c01f63da527f0b24dc64f54d [0,0,1,0,0,1|2,0,0]=4 3310 B13R1.337 C[C@H](O)CNCCc1cccnc1 7d3a8b9b49e9cc647d2aac8305771e67 [0,0,1,0,0,1|2,0,0]=4 3311 B13R1.337 C[C@H](O)CNCCc1ccncc1 8c91587a15c177eeb482086722d3f61d [0,0,1,0,0,1|2,0,0]=4 3312 B13R1.337 FC(F)CCOCc1ccccc1 94aece52affa4e34c61374b813f119d3 [0,0,1,0,0,1|2,0,0]=4 3313 B13R1.337 FC(F)COCCc1ccccc1 eb2ce10dcef858e0bcb39c29d76e88e5 [0,0,1,0,0,1|2,0,0]=4 3314 B13R1.337 O=C(O)CCOCc1ccccc1 fc616de8f6751676366ace4ab81d0334 [0,0,1,0,0,1|1,0,1]=4 3315 B13R1.337 O=C(O)COCCc1ccccc1 58181bdc4dd33e1cf2f1ca35558ce121 [0,0,1,0,0,1|1,0,1]=4 3316 B13R1.337 O=S(O)COCCc1ccccc1 a2eb62494a7f852a8cec380431bf587b [0,0,1,0,0,1|2,0,0]=4 3317 B15R2.29 CC1CCC(CC1)Nc2ccccc2 ce1824e39e8c5f1cfae1e2d0cf77a643 [0,0,0,0,0,2|2,0,0]=4 3318 B15R2.29 C[C@H]1CC[C@@H](CC1)Nc2ccccc2 fbf0c8d1d01ad19bedea9eafe0ed3fef [0,0,0,0,0,2|2,0,0]=4 3319 B15R2.29 C[C@H]1CC[C@H](CC1)Nc2ccccc2 038ec9aa8807204ac93b8c4a5a0a6935 [0,0,0,0,0,2|2,0,0]=4 3320 B15R2.31 CC1CC(CCO1)Nc2ccccc2 e3589e048f8fbfa7d07a8c60b735410d [0,0,0,0,0,2|2,0,0]=4 3321 B15R2.31 CC1CCCC(C1)Nc2ccccc2 11e12b7381ef61b4b561d22337b940c8 [0,0,0,0,0,2|2,0,0]=4 3322 B15R2.31 C[C@@H]1CCC[C@H](C1)Nc2ccccc2 a5487b5c55390ea6d3deec1adaaceba3 [0,0,0,0,0,2|2,0,0]=4 3323 B15R2.31 C[C@@H]1C[C@@H](CCO1)Nc2ccccc2 0afaf5a1f2a0fd657796634fdbae5527 [0,0,0,0,0,2|2,0,0]=4 3324 B15R2.31 C[C@@H]1C[C@H](CCO1)Nc2ccccc2 4d335f6c7b30679f48d5d2515dd4d0d2 [0,0,0,0,0,2|2,0,0]=4 3325 B15R2.31 C[C@H]1C[C@@H](CCO1)Nc2ccccc2 9fcc482b2d0e9b897f1f831e43de56d4 [0,0,0,0,0,2|2,0,0]=4 3326 B15R2.31 C[C@H]1C[C@H](CCO1)Nc2ccccc2 794258c15af9b5b99da066374732c49b [0,0,0,0,0,2|2,0,0]=4 3327 B15R2.31 OC1COCC(C1)Nc2ccccc2 70b7f480ef3ffccaa07516ff8da01b09 [0,0,0,0,0,2|2,0,0]=4 3328 B15R2.31 O[C@@H]1COC[C@@H](C1)Nc2ccccc2 533746c90822ec0e93395170a202be88 [0,0,0,0,0,2|2,0,0]=4 3329 B15R2.31 O[C@H]1COC[C@H](C1)Nc2ccccc2 01806a901f3e5fbea23483290abbcaed [0,0,0,0,0,2|2,0,0]=4 3330 B15R2.283 CC1CCC(C1)NCc2ccccc2 5b3abc4be81081ec6c0f382fc8592b29 [0,0,0,0,0,2|2,0,0]=4 3331 B15R2.283 CC1CCC(C1)OCc2ccccc2 5ac68104906d9f4b2f217e3f54fd6206 [0,0,0,0,0,2|2,0,0]=4