0 B22R3.832291 CCCC(Nc1nccc2c1cccc2)c3cccs3 bdc81e2d4b36cc11d40073ea9d89f5e0 [1,0,0,0,0,0|2,0,0]=3 1 B22R3.832291 CCCC(Nc1nccc2c1cncc2)c3cccs3 c0adcc4256e11d225b6c412809fc6715 [1,0,0,0,0,0|3,0,0]=4 2 B22R3.832291 OCCC(Nc1cccc2c1cccc2)c3cccs3 381b12edf0007002972f78b019840990 [1,0,0,0,0,0|2,0,0]=3 3 B22R3.832291 OCCC(Nc1cccc2c1cncc2)c3cccs3 d06b655e6a7799db25c46fd1e4043334 [1,0,0,0,0,0|3,0,0]=4 4 B22R3.832291 OCCC(Nc1cncc2c1cccc2)c3cccs3 62c476122b514ed4b28bdb103d73f3fb [1,0,0,0,0,0|3,0,0]=4 5 B22R3.832291 OCCC(Nc1nccc2c1cccc2)c3cccs3 d28e964ff77f5a7bd74c9d9d65a4ad41 [1,0,0,0,0,0|3,0,0]=4 6 B24R3.39225747 COC(=O)CC(Nc1cccc2c1cccc2)c3cccs3 1faa6d9d4b8882bb25ba88ed6cb483dd [0,1,0,0,0,0|2,0,1]=4 7 B24R3.2047265 CCCCN(Cc1cccs1)Cc2cccc3c2cccc3 e35288e76b86fdaac324939acc84bdde [0,0,0,0,0,1|3,0,0]=4 8 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 9930fd27035e2e427455f219fa40c87d [0,0,0,0,0,1|3,0,0]=4 9 B24R3.2460183 CCCCC(Nc1cccc2c1cccc2)c3ccccn3 f52e33c49f4e75ac500e0480221a84a4 [0,0,0,0,0,1|3,0,0]=4 10 B24R3.2460183 CCCCC(Nc1cccc2c1cccc2)c3ccncc3 9c7cfec33d1a95134c933e7546852d17 [0,0,0,0,0,1|3,0,0]=4 11 B21R2.32620 C=Cc1ccccc1C(=O)NC(CCC)c2cccs2 5c0aa6d04606f306b7c0d8827b408d31 [1,0,1,0,0,0|2,0,0]=4 12 B21R2.391667 CCCC(Nc1cccc(c1)/C=C/C=O)c2cccs2 dfb1d39492c6a91b684e6a8dffba853b [1,0,1,0,0,0|2,0,0]=4 13 B21R2.391667 CCCC(Nc1cccc(c1)C=CC=O)c2cccs2 f8ee532525bd59b998d6be1fc6365b08 [1,0,1,0,0,0|2,0,0]=4 14 B21R3.901763 CCC(Nc1cccc2c1cccc2)c3ccco3 0274bf78af668a80bf102cbcd8c7e3f5 [2,0,0,0,0,0|1,1,0]=4 15 B21R3.901763 CCC(Nc1cccc2c1cccc2)c3cccs3 50c24ef5d1366abe509d1efd35dbcfef [2,0,0,0,0,0|1,0,0]=3 16 B21R3.901763 CCC(Nc1nccc2c1cccc2)c3cccs3 e6c033571f6f5d62c84e11726cd3e1f5 [2,0,0,0,0,0|2,0,0]=4 17 B23R3.2706819 CCCC(Nc1ncc(c2c1cccc2)F)c3cccs3 02ab723773fa80bd7ea75533a8a18de0 [1,1,0,0,0,0|2,0,0]=4 18 B23R3.2712432 CCCC(Nc1c(cnc2c1cccc2)F)c3cccs3 34bbc58f1acf31846d7568cfafa29fa4 [1,1,0,0,0,0|2,0,0]=4 19 B23R3.2712432 Cc1ccc2ccccc2c1NC(CCO)c3cccs3 1b2da65b7180d0ca2cc74562cef26040 [1,1,0,0,0,0|2,0,0]=4 20 B23R3.2712432 OCCC(Nc1c(ccc2c1cccc2)F)c3cccs3 545438b7b28ec80bc2be4e0fac17b9ca [1,1,0,0,0,0|2,0,0]=4 21 B23R3.20471594 CCCC(Nc1nccc2c1ccc(c2)C)c3cccs3 9809151d084bde2f7fb812671cea33e5 [1,1,0,0,0,0|2,0,0]=4 22 B23R3.20471594 CCCC(Nc1nccc2c1ccc(c2)F)c3cccs3 8414a566fb52f256372719508fbf1328 [1,1,0,0,0,0|2,0,0]=4 23 B23R3.20471740 CCCC(Nc1nccc2c1cccc2F)c3cccs3 eed2646cb2e1dd4348be4874d0b268a2 [1,1,0,0,0,0|2,0,0]=4 24 B23R3.160109773 CCCC(Nc1nccc2c1cc(cc2)F)c3cccs3 8fb55f10f13eca4ebea4c53e4699487f [1,1,0,0,0,0|2,0,0]=4 25 B25R3.3936799 CN(C)CCN(Cc1cccs1)Cc2cccc3c2cccc3 b5e7aee5b54426e33ffc29242d4a132d [0,1,0,0,0,1|2,0,0]=4 26 B25R3.32154466 CN(C)CCC(OCc1cccc2c1cccc2)c3cccs3 28a6edc678c284801c5d7988367f6418 [0,1,0,0,0,1|0,0,0]=2 27 B25R3.32154466 CN(C)CCC(OCc1cccc2c1cccc2)c3ccsc3 377415a0679e8142a275e3e84b9088e2 [0,1,0,0,0,1|2,0,0]=4 28 B25R3.32154466 CN(C)CCC(OCc1cccc2c1cccn2)c3cccs3 0c7496e04819c571f898b8b13f33655b [0,1,0,0,0,1|1,0,0]=3 29 B25R3.32154466 CN(C)CCC(OCc1cccc2c1cncc2)c3cccs3 5591b4b24fb28b9e7ac004145bf380ca [0,1,0,0,0,1|1,0,0]=3 30 B25R3.32154466 CN(C)CCC(OCc1cccc2c1nccc2)c3cccs3 3761407c89fb8e0fa4f245e58d607650 [0,1,0,0,0,1|1,0,0]=3 31 B25R3.32154466 CN(C)CCC(OCc1cccc2c1nccn2)c3cccs3 46b8aed821331a5310b0dad08d619177 [0,1,0,0,0,1|2,0,0]=4 32 B25R3.32154466 CN(C)CCC(OCc1ccnc2c1cccc2)c3cccs3 9511bd0b755ba5dd760bbcb04450cb75 [0,1,0,0,0,1|1,0,0]=3 33 B25R3.32154466 CN(C)CCC(OCc1nccc2c1cccc2)c3cccs3 5dd57f59e0979e6fa447bd2545ec7248 [0,1,0,0,0,1|1,0,0]=3 34 B25R3.32154466 CN(C)CC[C@@H](OCc1cccc2c1cccc2)c3cccs3 9033ec9d02249383ecc27a1bffe5a00d [0,1,0,0,0,1|0,0,0]=2 35 B25R3.32154466 CN(C)CC[C@@H](OCc1cccc2c1cccn2)c3cccs3 4471c645695c4c6666806ce67b6c911c [0,1,0,0,0,1|1,0,0]=3 36 B25R3.32154466 CN(C)CC[C@@H](OCc1cccc2c1cncc2)c3cccs3 d7cb625152ff1861805248c876029088 [0,1,0,0,0,1|1,0,0]=3 37 B25R3.32154466 CN(C)CC[C@@H](OCc1cccc2c1nccc2)c3cccs3 4472fdb03db1a6bdd9c1574ea94a74f9 [0,1,0,0,0,1|1,0,0]=3 38 B25R3.32154466 CN(C)CC[C@@H](OCc1cccc2c1nccn2)c3cccs3 51249393e061b87d1965ea1165cfe189 [0,1,0,0,0,1|2,0,0]=4 39 B25R3.32154466 CN(C)CC[C@@H](OCc1ccnc2c1cccc2)c3cccs3 cc65816fdb48481c5e8fe1d93e9e492e [0,1,0,0,0,1|1,0,0]=3 40 B25R3.32154466 CN(C)CC[C@@H](OCc1nccc2c1cccc2)c3cccs3 4cdc9cd44109508f0a47d7957e8fbb8d [0,1,0,0,0,1|1,0,0]=3 41 B25R3.32154466 CN(C)CC[C@H](OCc1cccc2c1cccc2)c3cccs3 513c9877371cf4c098606a7eb0d82935 [0,1,0,0,0,1|0,0,0]=2 42 B25R3.32154466 CN(C)CC[C@H](OCc1cccc2c1cccn2)c3cccs3 86d15ede77a50ef3322ac66c9b7ace09 [0,1,0,0,0,1|1,0,0]=3 43 B25R3.32154466 CN(C)CC[C@H](OCc1cccc2c1cncc2)c3cccs3 f92728aa1ba5570cf24adb58d2c1daf8 [0,1,0,0,0,1|1,0,0]=3 44 B25R3.32154466 CN(C)CC[C@H](OCc1cccc2c1nccc2)c3cccs3 cac973ffcbb4ff23b9254cfb66452be2 [0,1,0,0,0,1|1,0,0]=3 45 B25R3.32154466 CN(C)CC[C@H](OCc1cccc2c1nccn2)c3cccs3 8569b5e62900041bf1c6ca824b308b24 [0,1,0,0,0,1|2,0,0]=4 46 B25R3.32154466 CN(C)CC[C@H](OCc1ccnc2c1cccc2)c3cccs3 5577daaa16994129b19f500be3ccfb6a [0,1,0,0,0,1|1,0,0]=3 47 B25R3.32154466 CN(C)CC[C@H](OCc1nccc2c1cccc2)c3cccs3 6f4ed7d98335cdd0af3c8f186bdfe89a [0,1,0,0,0,1|1,0,0]=3 48 B25R3.47356081 CCN(C)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 4dd620f0cb7228ddcc8f5038a6a9db41 [0,2,0,0,0,0|0,0,0]=2 49 B25R3.47356081 CN(C=O)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 980e3e8ef1ecd977b0e25d8b1024c9c2 [0,2,0,0,0,0|0,0,0]=2 50 B25R3.47356081 CN(CF)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 80b9485df19561f6d49312634d46d0f4 [0,2,0,0,0,0|0,0,0]=2 51 B25R3.47356081 CN(CO)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 029e0ebf90bbff9599c07bcb0a6805e2 [0,2,0,0,0,0|0,0,0]=2 52 B23R4.4965116 c1csc(c1)C(Nc2cccc3c2cncc3)C4CC4 8b2a3ac5029ecd07b255347635d42197 [1,0,0,1,0,0|2,0,0]=4 53 B23R4.4965116 c1csc(c1)C(Nc2cncc3c2cccc3)C4CC4 dd291015e9de2f0f5f7900227a8e26c2 [1,0,0,1,0,0|2,0,0]=4 54 B23R4.4965116 c1csc(c1)C(Nc2nccc3c2cccc3)C4CC4 58dcc6301e1d77de8558d54269040856 [1,0,0,1,0,0|2,0,0]=4 55 B25R4.4281826 CN1CCC(c2c1cccc2)Nc3cccc4c3cccc4 c10d6777c20f35454386d64526a03249 [0,0,0,1,0,1|2,0,0]=4 56 B25R4.4281826 CN1CC[C@@H](c2c1cccc2)Nc3cccc4c3cccc4 f16010d593e5db816ba4b61a28a1243c [0,0,0,1,0,1|2,0,0]=4 57 B25R4.4281826 CN1CC[C@H](c2c1cccc2)Nc3cccc4c3cccc4 ceb387419754cb76635b65acb91b0ce7 [0,0,0,1,0,1|2,0,0]=4 58 B21R3.25688 OCCN(c1cccs1)c2cccc3c2cccc3 c42c184892d17e76985065e7a85b2dfe [1,0,0,0,1,0|2,0,0]=4 59 B23R3.91321 CCCN(Cc1cccs1)Cc2cccc3c2cccc3 dd41e7794a819f774056acf2ec36f1ce [1,0,0,0,0,1|2,0,0]=4 60 B23R3.1900503 CCCC(NCc1cccc2c1cccc2)c3cccs3 b4a1860e2cbbf2cb7bed94cef244888c [1,0,0,0,0,1|1,0,0]=3 61 B23R3.1900503 CCCC(NCc1cccc2c1cccn2)c3cccs3 db4d6c66e7286f9c2af414e3b2ae475a [1,0,0,0,0,1|2,0,0]=4 62 B23R3.1900503 CCCC(NCc1cccc2c1cncc2)c3cccs3 190d201181cc274860c09ac52e0abe11 [1,0,0,0,0,1|2,0,0]=4 63 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 ab938a8d271415ae26240408fb51c9f3 [1,0,0,0,0,1|2,0,0]=4 64 B23R3.1900503 CCCC(NCc1ccnc2c1cccc2)c3cccs3 751998d2f842a1bd41fa20f9687a7289 [1,0,0,0,0,1|2,0,0]=4 65 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 4c1a0a4a51d82245ce3602d97be12f35 [1,0,0,0,0,1|2,0,0]=4 66 B23R3.1900503 CCCC(OCc1cccc2c1cccc2)c3cccs3 fe2d22bbda62f02d454550e4a4c696cc [1,0,0,0,0,1|0,0,0]=2 67 B23R3.1900503 CCCC(OCc1cccc2c1cccn2)c3cccs3 937611b494a88e7a62ade11b6dd3261c [1,0,0,0,0,1|1,0,0]=3 68 B23R3.1900503 CCCC(OCc1cccc2c1cncc2)c3cccs3 79fa84afc3e10004ab3c8c5ef477d431 [1,0,0,0,0,1|1,0,0]=3 69 B23R3.1900503 CCCC(OCc1cccc2c1nccc2)c3cccs3 8ae5e67ca401d378fb0f66cb83ea9942 [1,0,0,0,0,1|1,0,0]=3 70 B23R3.1900503 CCCC(OCc1cccc2c1nccn2)c3cccs3 8ec422fcb0b6c1e027230f01822ab465 [1,0,0,0,0,1|2,0,0]=4 71 B23R3.1900503 CCCC(OCc1ccnc2c1cccc2)c3cccs3 507b9dcd04f3a4e5b3d08edeac06efd2 [1,0,0,0,0,1|1,0,0]=3 72 B23R3.1900503 CCCC(OCc1nccc2c1cccc2)c3cccs3 dc35522ad00863693e96e1e2a598d04c [1,0,0,0,0,1|1,0,0]=3 73 B23R3.1900503 N#CCC(OCc1cccc2c1cccc2)c3cccs3 1d282d2db1bdfd8c092cb77076248bac [1,0,0,0,0,1|0,0,2]=4 74 B23R3.1900503 OCCC(NCc1cccc2c1cccc2)c3cccs3 00d3462c341a6a42b09ea32c63c488ae [1,0,0,0,0,1|2,0,0]=4 75 B23R3.1993699 CCCCN(Cc1cccs1)c2cccc3c2cccc3 7d007132affdfd31b136fbd526b2281b [0,0,0,0,1,1|2,0,0]=4