0 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [0,0,0,0,0,0|2,1,1]=4 1 B9R1.6 CC(=O)N1CCCSC1 1ff1106b7e69aa264320301adcb4387e [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.15 CCC(=O)N1CCCSC1 10bc3dacdab4b790e4e7d1ee4538d6eb [0,1,0,0,0,0|2,0,1]=4 4 B10R1.15 O=C(CF)N1CCCSC1 147aa329a2fa11136e67b31a5eee1ca4 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.15 O=C(CO)N1CCCSC1 b3a1ef3f67b506bb82e52bfb4f1aabbe [0,1,0,0,0,0|2,0,1]=4 6 B10R1.15 O=C(CS)N1CCCSC1 ed416af73b271b536116a85a5d3957ca [0,1,0,0,0,0|2,0,1]=4 7 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,0,1,0,0,0|1,0,2]=4 8 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,0,1,0,0,0|1,0,2]=4 9 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [0,0,1,0,0,0|2,0,1]=4 11 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,0,1,0,0,0|1,0,1]=3 12 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,0,1,0,0,0|2,0,1]=4 14 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,0,1,0,0,0|2,0,1]=4 15 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,0,1,0,0,0|2,0,1]=4 16 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,0,1,0,0,0|2,0,1]=4 18 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,0,1,0,0,0|2,0,1]=4 20 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,0,1,0,0,0|1,0,2]=4 21 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,0,1,0,0,0|0,1,2]=4 22 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,0,1,0,0,0|0,0,2]=3 24 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,0,1,0,0,0|1,0,2]=4 25 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,0,1,0,0,0|1,0,2]=4 26 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,0,1,0,0,0|1,0,2]=4 27 B8R0.8 C#CCNC(=O)C(=O)C 4bf053a5aca21e4aa24ed5c79f64ca8d [0,0,1,0,0,0|2,0,1]=4 28 B8R0.8 C=C(Br)C(=O)NCCS 80189983f4c9e177df01419d81f9075c [0,0,1,0,0,0|2,0,1]=4 29 B8R0.8 C=C(C)C(=O)NCCBr 61120e26dbeb4e895f737bdf6d4436bb [0,0,1,0,0,0|3,0,0]=4 30 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.8 C=C(C)C(=O)NCCF 72013eef2585a0c39d2ebbaa6d0c72b9 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.8 C=C(C)C(=O)NCCI cb5688c5d662b39b7123ac0fec17c67d [0,0,1,0,0,0|3,0,0]=4 33 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,0,1,0,0,0|2,1,0]=4 34 B8R0.8 C=C(C)C(=O)NCCS 338ac740b4761d63bc015d9cb77d6c81 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.8 C=C(Cl)C(=O)NCCS 008350a5c8d945574ace62f36d2369da [0,0,1,0,0,0|2,0,1]=4 36 B8R0.8 C=C(F)C(=O)NCCS b925e9e9a4b554836e4d4d833a2036a7 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.8 CC(=O)C(=O)NCC#N 5b9c2557b153269c0b155a42c182fa69 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,0,1,0,0,0|1,1,0]=3 42 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,0,1,0,0,0|1,0,0]=2 43 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,0,1,0,0,0|1,0,2]=4 44 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,0,1,0,0,0|1,0,2]=4 45 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,0,1,0,0,0|1,0,2]=4 46 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,0,1,0,0,0|0,1,2]=4 47 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,0,1,0,0,0|0,0,2]=3 48 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,0,1,0,0,0|1,0,2]=4 49 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,0,1,0,0,0|2,0,1]=4 50 B8R0.8 CC(NCCS)C(=O)N 572f0555a75dff8d0ea622872a8a561f [0,0,1,0,0,0|1,0,2]=4 51 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,0,1,0,0,0|1,0,2]=4 52 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,0,1,0,0,0|1,0,2]=4 53 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,0,1,0,0,0|1,1,1]=4 54 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,0,1,0,0,0|2,0,0]=3 55 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,0,1,0,0,0|3,0,0]=4 56 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,0,1,0,0,0|1,0,2]=4 57 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.8 C[C@@H](NCCS)C(=O)N eaed8a8bc3443962f8e57846d7a55f89 [0,0,1,0,0,0|1,0,2]=4 59 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,0,1,0,0,0|1,0,2]=4 60 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,0,1,0,0,0|1,0,2]=4 61 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,0,1,0,0,0|2,0,1]=4 62 B8R0.8 C[C@H](NCCS)C(=O)N 66f3a08d77bb976c0eb5f803b01afeb5 [0,0,1,0,0,0|1,0,2]=4 63 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,0,1,0,0,0|1,0,2]=4 64 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,0,1,0,0,0|1,0,2]=4 65 B8R0.8 NC(=O)C(=O)NCCBr 759555cfe18ab185527b6dd88250fe2a [0,0,1,0,0,0|3,0,0]=4 66 B8R0.8 NC(=O)C(=O)NCCF 8d16443f3a53d655d6edb5a8c0f19f14 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.8 NC(=O)C(=O)NCCI 0aa2ec4d4ec4da702777f87d741676b9 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.8 NC(=O)C(=O)NCCO 10353f6c195c1dd5d3db75345c6400fc [0,0,1,0,0,0|2,1,0]=4 69 B8R0.8 NC(=O)C(=O)NCCS 1e7a32aeffd987cdf7d4d7b438dcfd82 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,0,1,0,0,0|2,0,1]=4 71 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [0,0,1,0,0,0|2,0,1]=4 73 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.15 CCNC(CS)C(=O)O 8d04389a625618eb9889b3cd17b2e8e6 [0,0,1,0,0,0|1,0,2]=4 75 B8R0.15 CCN[C@@H](CS)C(=O)O ecb0401bca4bb7db9d87809814f9d4f3 [0,0,1,0,0,0|1,0,2]=4 76 B8R0.15 CCN[C@H](CS)C(=O)O 7c010ea0d3f5055c0e7214a8d340a87c [0,0,1,0,0,0|1,0,2]=4 77 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,0,0,0,1,0|1,0,1]=3 78 B10R1.18 CC(=O)NC1C=CCCC1 1d5ddd958afbd2a3a6ae98a719be40e7 [0,0,0,0,0,1|2,0,1]=4 79 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [1,0,1,0,0,0|1,0,1]=4 80 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [1,0,1,0,0,0|0,0,2]=4 81 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [1,0,1,0,0,0|1,0,1]=4 82 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [1,0,1,0,0,0|1,0,1]=4 83 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [1,0,1,0,0,0|1,0,0]=3 84 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,0,1,0,0,0|0,0,2]=4 85 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,0,1,0,0,0|1,0,1]=4 86 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,0,1,0,0,0|0,1,1]=4 87 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,0,1,0,0,0|0,0,1]=3 88 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,0,1,0,0,0|1,0,1]=4 89 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [1,0,1,0,0,0|2,0,0]=4 90 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,0,1,0,0,0|2,0,0]=4 91 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,0,1,0,0,0|2,0,0]=4 92 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [1,0,1,0,0,0|1,1,0]=4 93 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,0,1,0,0,0|1,0,1]=4 94 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,0,1,0,0,0|0,0,2]=4 95 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,0,1,0,0,0|0,1,1]=4 96 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,0,1,0,0,0|0,0,1]=3 97 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,0,1,0,0,0|0,0,2]=4 98 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [1,0,1,0,0,0|1,0,1]=4 99 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,0,1,0,0,0|1,0,1]=4 100 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,0,1,0,0,0|2,0,0]=4 101 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [1,0,1,0,0,0|2,0,0]=4 102 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [1,0,1,0,0,0|1,0,0]=3 103 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [1,0,1,0,0,0|1,0,1]=4 104 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [1,0,1,0,0,0|0,0,2]=4 105 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,0,1,0,0,0|2,0,0]=4 107 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [1,0,1,0,0,0|0,0,2]=4 108 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [1,0,1,0,0,0|2,0,0]=4 110 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [1,0,1,0,0,0|2,0,0]=4 111 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [1,0,1,0,0,0|1,1,0]=4 112 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [1,0,1,0,0,0|1,0,0]=3 113 B9R0.2 C=CCCCNCC(=O)C 6f9860b69421ae53f4aa8aab3f88206c [0,1,1,0,0,0|1,0,1]=4 114 B9R0.2 C=CCCNC/C=C(/C)\I 8fbbd5f7eb89b39250f08b4718f9b45a [0,1,1,0,0,0|2,0,0]=4 115 B9R0.2 C=CCCNC/C=C(\C)/Cl 59f87e58c48f27d7c0b3083d751b9bec [0,1,1,0,0,0|2,0,0]=4 116 B9R0.2 C=CCCNCC=C(C)C c6e78b3544f15f02095b433e8cecfe3a [0,1,1,0,0,0|2,0,0]=4 117 B9R0.2 C=CCCNCC=C(C)Cl 562a9f5326eb8473a2e26a0975a4a70a [0,1,1,0,0,0|2,0,0]=4 118 B9R0.2 C=CCCNCC=C(C)I 3a23474222ff62c7049f262274cbbe6e [0,1,1,0,0,0|2,0,0]=4 119 B9R0.2 C=CCCNCCC(=O)C 931becbc31ffa1a17243333f7bced09b [0,1,1,0,0,0|1,0,1]=4 120 B9R0.2 C=CCCNCOC(=O)C 3487c1d086c5212400756cfa116788f8 [0,1,1,0,0,0|1,0,1]=4 121 B9R0.2 CC(=O)CNCCCC=O 026ef0e39501edf9371f673edca5b759 [0,1,1,0,0,0|1,0,1]=4 122 B9R0.2 CCSCCNCC(=O)C fad72d0b95c2a13f990a448abba15424 [0,1,1,0,0,0|0,0,2]=4 123 B9R0.2 CSCCCNCC(=O)C 7623274f83bea32ce27bf9f8465c7872 [0,1,1,0,0,0|0,0,2]=4 124 B9R0.2 CSCCNC/C=C(/C)\I c8b493c258d574324fae0d0340bbc294 [0,1,1,0,0,0|1,0,1]=4 125 B9R0.2 CSCCNC/C=C(\C)/Cl fc77aa96f81ab7c7ea48d9a28b9bafb9 [0,1,1,0,0,0|1,0,1]=4 126 B9R0.2 CSCCNCC=C(C)C e12e5c6c92a978f4829d162e51a94e8d [0,1,1,0,0,0|1,0,1]=4 127 B9R0.2 CSCCNCC=C(C)Cl 2d5c3b9961b66f31f682494ae2bacc2b [0,1,1,0,0,0|1,0,1]=4 128 B9R0.2 CSCCNCC=C(C)I 841f0994c6a26a991418877c16000d22 [0,1,1,0,0,0|1,0,1]=4 129 B9R0.2 CSCCNCCC(=O)C 9db4a522309238a4c3a74c333f9036b6 [0,1,1,0,0,0|0,0,2]=4 130 B9R0.2 CSCCNCOC(=O)C 4a9417d660a2b8f603a487e0613a69d1 [0,1,1,0,0,0|0,0,2]=4 131 B9R0.46 C=CCCNCC(=O)CC c68fbb3930ad5b035bc1d80d52096ccd [0,1,1,0,0,0|1,0,1]=4 132 B9R0.46 C=CCCNCC(=O)CO 99741e47f9cfe9602791a85b39f510bd [0,1,1,0,0,0|1,0,1]=4 133 B9R0.46 C=CCCNCC(=O)NC baffe26d874c211a38a28edd7d2258fa [0,1,1,0,0,0|1,0,1]=4 134 B9R0.46 C=CCCNCC(=O)OC 5fb4be3d6bbd73ac1441b9f590623088 [0,1,1,0,0,0|1,0,1]=4 135 B9R0.46 CCC(=O)CNCCSC 2cc7cb6ff233c8bbb657ae3043f92502 [0,1,1,0,0,0|0,0,2]=4 136 B9R0.46 CNC(=O)CNCCSC 5d20087e449164cd64dc97de1cf3722d [0,1,1,0,0,0|0,0,2]=4 137 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [0,1,1,0,0,0|0,0,2]=4 138 B9R0.46 CSCCNCC(=O)CO 7c89e5a1f006448fd613535cd28802ad [0,1,1,0,0,0|0,0,2]=4 139 B9R0.47 C#CCCNC(=O)C(=O)C 37e32ae71253d07eab86a6e1561e41a4 [0,1,1,0,0,0|1,0,1]=4 140 B9R0.47 C=C(C)C(=O)NCCSC 1532490e2baec798b8deb350615b603d [0,1,1,0,0,0|1,0,1]=4 141 B9R0.47 C=CCCNC(=O)C(=C)C 2e63bcfa05f26653ce4ccadf46eb4713 [0,1,1,0,0,0|2,0,0]=4 142 B9R0.47 C=CCCNC(=O)C(=O)C bb39159fa788dccbe51e6f53cc22586f [0,1,1,0,0,0|1,0,0]=3 143 B9R0.47 C=CCCNC(=O)C(=O)N 355a8c08a9a1d709452948a9a9063dbc [0,1,1,0,0,0|2,0,0]=4 144 B9R0.47 C=CCCNC(C)C(=O)C 3e4eac1536a448085cb2069f36698707 [0,1,1,0,0,0|1,0,1]=4 145 B9R0.47 CC(=O)C(=O)NCCC#N 155427679432105668aaab31f291900b [0,1,1,0,0,0|2,0,0]=4 146 B9R0.47 CC(=O)C(=O)NCCCCl 1f11616c914494eaff8a5c5e77f3591e [0,1,1,0,0,0|2,0,0]=4 147 B9R0.47 CC(=O)C(=O)NCCCO 07a7bb6909cab345c32ae2fba7f9de80 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.47 CC(=O)C(=O)NCCON bc2d09fa791852c78f0c357aedc8ca60 [0,1,1,0,0,0|1,1,0]=4 149 B9R0.47 CCCCNC(=O)C(=O)C e2af56b2a4daa16b7084e7fa0ba1fc1b [0,1,1,0,0,0|1,0,1]=4 150 B9R0.47 COCCNC(=O)C(=O)C f846514379f6b702aa68a0ceacb0fbaf [0,1,1,0,0,0|0,1,1]=4 151 B9R0.47 CSCCNC(=O)C(=O)C 2bbabd291a0fdfcfdf5281a9d3814734 [0,1,1,0,0,0|0,0,1]=3 152 B9R0.47 CSCCNC(=O)C(=O)N 26a21f63aa2ab3367d77d9f5bd3605aa [0,1,1,0,0,0|1,0,1]=4 153 B9R0.47 CSCCNC(C)C(=O)C 905a95c67bd090f2ba46188b2adb1eb3 [0,1,1,0,0,0|0,0,2]=4 154 B9R0.55 C=C(C)CCNCC(=O)C ecc5eaef95bd43b57450b718411d778a [0,1,1,0,0,0|1,0,1]=4 155 B9R0.6 CC(=O)C(=O)N(C)CCF c892a70dbbd89cdcb76c2c1b62b4e4bb [0,1,1,0,0,0|2,0,0]=4 156 B9R0.6 CC(=O)C(=O)N(C)CCO 8eec33b34c954245bef8c1ffac874b64 [0,1,1,0,0,0|1,1,0]=4 157 B9R0.6 CCCN(C)C(=O)C(=O)C b1f86c94d2bf9784f5bc56d2f713d016 [0,1,1,0,0,0|2,0,0]=4 158 B9R0.7 CC(=O)C(=O)NCC(C)C b29618f1c8ca27f367008990e8e5a8b7 [0,1,1,0,0,0|2,0,0]=4 159 B9R0.7 CC(=O)C(=O)NCC(C)O e690b65d928d90fc0d6b12987d3a9371 [0,1,1,0,0,0|1,1,0]=4 160 B9R0.7 CC(=O)C(=O)NCC(F)F bed475a426664fc776a7f5f5ea9bdc0e [0,1,1,0,0,0|2,0,0]=4 161 B9R0.7 CC(=O)C(=O)NC[C@@H](C)O 5a868f0143dd3dcf1b98a4ac7490f231 [0,1,1,0,0,0|1,1,0]=4 162 B9R0.7 CC(=O)C(=O)NC[C@H](C)O 98b4664b095699e712a1c75ed18a6d3f [0,1,1,0,0,0|1,1,0]=4 163 B9R0.8 C/C=C(/C)\C(=O)NCCS 16ed5275164848605db7c8b01747415a [0,1,1,0,0,0|2,0,0]=4 164 B9R0.8 C/C=C(\Br)/C(=O)NCCS 9d596d84a008a0322dda18de74058c46 [0,1,1,0,0,0|2,0,0]=4 165 B9R0.8 C/C=C(\C)/C(=O)NCCS 9b0e1d81028a21b0faefd54cf47f28a8 [0,1,1,0,0,0|2,0,0]=4 166 B9R0.8 C/C=C(\Cl)/C(=O)NCCS 927d3faa820fde1d593f69389c2a7261 [0,1,1,0,0,0|2,0,0]=4 167 B9R0.8 C/C=C(\O)/C(=O)NCCS ee66338020c43593801f209322a9347d [0,1,1,0,0,0|1,0,1]=4 168 B9R0.8 C=C(CC)C(=O)NCCS aa5b7fd43f45b1e227eeee918050ad3e [0,1,1,0,0,0|2,0,0]=4 169 B9R0.8 C=C(CO)C(=O)NCCS 4a2b4d643c2a226dfd1353eca4018db4 [0,1,1,0,0,0|2,0,0]=4 170 B9R0.8 C=CC(=O)C(=O)NCCS 2516ee3ab6e4ad5719c3062f3df61c41 [0,1,1,0,0,0|1,0,1]=4 171 B9R0.8 CC=C(C)C(=O)NCCS 983f9f4a51ba718858e47301d24374af [0,1,1,0,0,0|2,0,0]=4 172 B9R0.8 CCC(=O)C(=O)NCCBr 84fc4faee770c4e2b17d9a450509f7c4 [0,1,1,0,0,0|2,0,0]=4 173 B9R0.8 CCC(=O)C(=O)NCCF 45f7aaa2290833f2ebffca2080080c8b [0,1,1,0,0,0|2,0,0]=4 174 B9R0.8 CCC(=O)C(=O)NCCI c47ec07c95fd9869aa39fe7c7de0290c [0,1,1,0,0,0|2,0,0]=4 175 B9R0.8 CCC(=O)C(=O)NCCO a7e0c4499eee6af2b5e9b45765eda93b [0,1,1,0,0,0|1,1,0]=4 176 B9R0.8 CCC(=O)C(=O)NCCS d8d72c0868c2b4d59d8957abf2f00ed5 [0,1,1,0,0,0|1,0,0]=3 177 B9R0.8 CCC(=O)C(C)NCCS bb59428fe74c12422654a92f73d8b77f [0,1,1,0,0,0|0,0,2]=4 178 B9R0.8 CCCNC(=O)C(=O)CC 50c3528e2a3a36795036ff6fd39f19ea [0,1,1,0,0,0|2,0,0]=4 179 B9R0.8 CCCNC(=O)C(=O)CS f77a300a00a8626828cedcc47e555849 [0,1,1,0,0,0|2,0,0]=4 180 B9R0.8 CCCNC(=O)C(=O)NC e46f12d3c545490ec9dbfc1a136b4b02 [0,1,1,0,0,0|2,0,0]=4 181 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [0,1,1,0,0,0|2,0,0]=4 182 B9R0.8 CCOC=C(F)C(=O)OC 8533dc5da2314954488a7df259a72902 [0,1,1,0,0,0|1,1,0]=4 183 B9R0.8 CNC(=O)C(=O)NCCBr f8c63594bf47348149f74d45109933bf [0,1,1,0,0,0|2,0,0]=4 184 B9R0.8 CNC(=O)C(=O)NCCF 697dd0ff4e4e824bd392cb165edd2d97 [0,1,1,0,0,0|2,0,0]=4 185 B9R0.8 CNC(=O)C(=O)NCCI 79969295ddf67bb8ea5100823a97e3ab [0,1,1,0,0,0|2,0,0]=4 186 B9R0.8 CNC(=O)C(=O)NCCO 0faeaeeb75e067b34fa6aae2cf031742 [0,1,1,0,0,0|1,1,0]=4 187 B9R0.8 CNC(=O)C(=O)NCCS e026e8ab3abe5a671931ba14a8395c38 [0,1,1,0,0,0|1,0,0]=3 188 B9R0.8 CNC(=O)C(C)NCCS 8ec31e91c5f181165dde530c6dd4fb83 [0,1,1,0,0,0|0,0,2]=4 189 B9R0.8 COC(=O)C(=O)NCCBr 8767aa6d98ff9d853f8410f1b29b8d95 [0,1,1,0,0,0|2,0,0]=4 190 B9R0.8 COC(=O)C(=O)NCCF 7400fc8b15c2ce19bc52ed1c216b9ad5 [0,1,1,0,0,0|2,0,0]=4 191 B9R0.8 COC(=O)C(=O)NCCI 0df42588091d055b1188e4ae0243eb0c [0,1,1,0,0,0|2,0,0]=4 192 B9R0.8 COC(=O)C(=O)NCCO c95a2a1ebbe11de2b9a41a25c915d3ee [0,1,1,0,0,0|1,1,0]=4 193 B9R0.8 COC(=O)C(=O)NCCS df5b83bbed2d7e5f3575f51f891b322f [0,1,1,0,0,0|1,0,0]=3 194 B9R0.8 COC(=O)C(C)NCCS d967f38e4459ed498d224e4b3cdd61d6 [0,1,1,0,0,0|0,0,2]=4 195 B9R0.8 COC(=O)[C@@H](C)NCCS 16fd58839d6241df4620a33b0b32294f [0,1,1,0,0,0|0,0,2]=4 196 B9R0.8 COC(=O)[C@H](C)NCCS 908f3e3fb039ce6a81955ab5f0462302 [0,1,1,0,0,0|0,0,2]=4 197 B9R0.8 O=C(CS)C(=O)NCCBr 340a3bb1044c34f19149637f0ce02852 [0,1,1,0,0,0|2,0,0]=4 198 B9R0.8 O=C(CS)C(=O)NCCF 6e22085c087cc201e19be165fc8d323c [0,1,1,0,0,0|2,0,0]=4 199 B9R0.8 O=C(CS)C(=O)NCCI 91853e693f5f480eaba79de8acd88642 [0,1,1,0,0,0|2,0,0]=4 200 B9R0.8 O=C(CS)C(=O)NCCO dcc1c6d5c654a6b221cd9d032edbaf11 [0,1,1,0,0,0|1,1,0]=4 201 B9R0.8 O=C(CS)C(=O)NCCS ebd815b9d550d75dda5475bb6e23572e [0,1,1,0,0,0|1,0,0]=3 202 B9R0.13 C/C=C(\OCCS)/C(=O)O dc4d3470500c2b5f90dbe050d8f95d15 [0,1,1,0,0,0|2,0,0]=4 203 B9R0.13 C=CC(NCCS)C(=O)O 826bd1dc7ddc11b4b881bd76293ff91d [0,1,1,0,0,0|1,0,1]=4 204 B9R0.13 C=C[C@H](NCCS)C(=O)O f0a6ea05df12ce6b900461830ee807d7 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.42 CC(=O)C(=O)NC(C)CO 5a5c39969f862d30f121c04111ebfa87 [0,1,1,0,0,0|1,1,0]=4 206 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO 9569a2680f767015fde6d0b0539cf153 [0,1,1,0,0,0|1,1,0]=4 207 B9R0.42 CC(=O)C(=O)N[C@H](C)CO b5213d0d1c49ac7c2edcbf8d16dee1e3 [0,1,1,0,0,0|1,1,0]=4 208 B9R0.42 CCC(C)NC(=O)C(=O)C b88dde23e48efe99aafeecc7cda67b85 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.42 CC[C@@H](C)NC(=O)C(=O)C 6feb51e3f091d8424d5a2a7666ce09bb [0,1,1,0,0,0|2,0,0]=4 210 B9R0.42 CC[C@H](C)NC(=O)C(=O)C 02a97ab8c9ee5fd4e7a804cd14237c27 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.51 CC(=O)C(C)(C)NCCS 341698b4512dda242cfa864c89fe9a96 [0,1,1,0,0,0|0,0,2]=4 212 B9R0.12 CCN[C@@H](CS)C(=O)OC a3ae20d2eca73c3d6eb7c5baec80f314 [0,1,1,0,0,0|0,0,2]=4 213 B9R1.11 CCC(=O)N1CCSC1 3ce8f4b9bb30c56930dd747741a3850d [0,1,0,0,1,0|1,0,1]=4 214 B9R1.11 O=C(CF)N1CCSC1 eacbec5fcbfc18b5c0a66a32cbc0f69e [0,1,0,0,1,0|1,0,1]=4 215 B9R1.11 O=C(CO)N1CCSC1 42095cf2ba0d7bb360a067bfcbd5ee52 [0,1,0,0,1,0|1,0,1]=4 216 B9R1.11 O=C(CS)N1CCSC1 71a0523988e04d9809876a858a8ce17f [0,1,0,0,1,0|1,0,1]=4 217 B9R1.41 CC(=O)N1CCSC1C 13a90b79e1eaed8ff645ef446550c0e3 [0,1,0,0,1,0|1,0,1]=4 218 B9R1.110 CC(=O)C(=O)N1CCC1 662b3c75fc1a1268e8773cb4c5de0ecc [0,0,1,1,0,0|2,0,0]=4 219 B9R1.112 CC(=O)C(=O)NC1CC1 8c727b8e9becb04e21c45432c800cd9b [0,0,1,1,0,0|2,0,0]=4 220 B9R1.33 CCNc1c[nH]nc1C 31178d0c85575aeec64e51c7817396ce [0,0,1,1,0,0|2,0,0]=4 221 B9R1.33 CCNc1ccsc1C 77679f4a4608797405be9c01b56f6c78 [0,0,1,1,0,0|1,1,0]=4 222 B9R1.33 CCNc1cnoc1C d9c8edeb0d1248f73261689ae7d88e51 [0,0,1,1,0,0|1,0,1]=4 223 B9R1.33 CCNc1conc1C 3d085436d148ed509a92e856636c7841 [0,0,1,1,0,0|1,1,0]=4 224 B9R1.33 CCNc1cscc1Br c7e322fe417175196a361e409120ada1 [0,0,1,1,0,0|1,0,1]=4 225 B9R1.33 CCNc1cscc1C 72a4e110478d329321a4ba0edf07cb57 [0,0,1,1,0,0|1,0,0]=3 226 B9R1.33 CCNc1csnc1C 7fa107734fecb90d4eb4406d5ed8864b [0,0,1,1,0,0|1,0,0]=3 227 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,0,1,1,0,0|2,0,0]=4 228 B9R1.33 Cc1cscc1NCF a62fe2966224a37e1c798084155ce5a5 [0,0,1,1,0,0|2,0,0]=4 229 B9R1.33 Cc1cscc1NCO a1fce12bf5331bb4cc5329208ddadffa [0,0,1,1,0,0|2,0,0]=4 230 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [1,0,0,0,1,0|1,0,1]=4 231 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,0,0,2,0|1,0,1]=4 232 B11R1.91 CC(=O)NCC1=CCCCC1 f2e430cdfd9ace0732c0094df8522b5a [0,0,0,0,0,2|2,0,0]=4