0 B8R0.3 C/C=C(\O)/C(=O)NC#N 8beac7e02e92d8fa950e07a1af6cd19b [0,0,1,0,0,0|2,0,1]=4 1 B8R0.3 C=CCN(C)C(=O)C=O 88d2eeb760a91774868c013686b4311e [0,0,1,0,0,0|2,0,1]=4 2 B9R0.8 C/C=C(\O)/C(=O)NCCO 5dd6eddb5bf709fa88a9b0f6826b31f2 [0,1,1,0,0,0|0,0,2]=4 3 B9R0.46 C=CC(C)OC/C=C/C=O c069aaebb308eed6b9350410d9a0d8df [0,1,1,0,0,0|1,0,1]=4 4 B9R0.46 CC(C=O)OC/C=C/C=O f910a75b39d29451b58b645fb543947e [0,1,1,0,0,0|0,0,2]=4 5 B9R0.46 C[C@H](C=O)OC/C=C/C=O 63619737e028b366f19c909fc0f52b40 [0,1,1,0,0,0|0,0,2]=4 6 B11R1.13 Cc1cccc(c1Br)NC=O 181885ab6e30039f3b9dc589d9bbf1ab [0,2,0,0,0,0|2,0,0]=4 7 B11R1.13 Cc1cccc(c1C)NC=O b052de2d2e2c7416164b100a16a0c4e7 [0,2,0,0,0,0|2,0,0]=4 8 B11R1.13 Cc1cccc(c1Cl)NC=O 37f9656895fe01f111917345c21dec00 [0,2,0,0,0,0|2,0,0]=4 9 B11R1.13 Cc1cccc(c1F)NC=O 41f52056fbc32f2090a82dcfb00d40ce [0,2,0,0,0,0|2,0,0]=4 10 B11R1.13 Cc1cccc(c1O)NC=O fdf29ae661c974846d552f60f7aca7b4 [0,2,0,0,0,0|1,0,0]=3 11 B11R1.13 Cc1ccnc(c1O)NC=O 5a8ddc1a0351eaab94416390ab438710 [0,2,0,0,0,0|2,0,0]=4 12 B11R1.13 Cc1nccc(c1C)NC=O 4f48737ebe951bb1996aaa3bfe3ad857 [0,2,0,0,0,0|2,0,0]=4 13 B11R1.13 Cc1nccc(c1Cl)NC=O a5e74d7a7e8434681a5927b8b6664fdf [0,2,0,0,0,0|2,0,0]=4 14 B11R1.13 Cc1nccc(c1F)NC=O 744e6be3d27524e6fb3d0838811ae049 [0,2,0,0,0,0|2,0,0]=4 15 B11R1.13 Cc1nccc(c1I)NC=O 5319fc7a00d99feb02574d5bc3d08b15 [0,2,0,0,0,0|2,0,0]=4 16 B11R1.13 O=CNc1cccc(c1O)Br af5e34f6c65557773d13a3bb3804154c [0,2,0,0,0,0|2,0,0]=4 17 B11R1.13 O=CNc1cccc(c1O)Cl 4de8e1e3ac25cb45a80694c999ce3cc7 [0,2,0,0,0,0|2,0,0]=4 18 B11R1.13 O=CNc1cccc(c1O)F 18230065a752cae503a878af0226b30a [0,2,0,0,0,0|2,0,0]=4 19 B11R1.13 O=CNc1cccc(c1O)I 3990b3431e4b8dee5687592ceb55248c [0,2,0,0,0,0|2,0,0]=4 20 B11R1.13 O=CNc1cccc(c1O)O cb62eca22797356beef33cf09a8c59de [0,2,0,0,0,0|2,0,0]=4 21 B11R1.13 O=CNc1ccnc(c1O)Cl b70db2163dd824ca7bfd387768eac55d [0,2,0,0,0,0|2,0,0]=4 22 B11R1.605 CCOc1c([nH]ccc1=O)C 3953f3acd9d430b8a411ed1388bb75a6 [0,2,0,0,0,0|1,0,0]=3 23 B11R1.605 CCOc1c(cccc1Br)C 0c70160bc305085b51ba1a4889004309 [0,2,0,0,0,0|2,0,0]=4 24 B11R1.605 CCOc1c(cccc1C)C 67d50a3f191b0ffdd65eef861cebe60d [0,2,0,0,0,0|2,0,0]=4 25 B11R1.605 CCOc1c(cccc1Cl)C 30916dc739bbac0ccc5ddd65e6897739 [0,2,0,0,0,0|2,0,0]=4 26 B11R1.605 CCOc1c(cccc1F)C ab429e049ee0be9c5ccf5b5751919e94 [0,2,0,0,0,0|2,0,0]=4 27 B11R1.605 CCOc1c(cccc1I)C 23a8504effa4cd3d9920b25fb944cf23 [0,2,0,0,0,0|2,0,0]=4 28 B11R1.605 CCOc1c(ccnc1C)C b96293ad99e63018365cce911b366189 [0,2,0,0,0,0|2,0,0]=4 29 B11R1.605 CCOc1c(occc1=O)C bd723c083bd97323bfd8c0189f3d2164 [0,2,0,0,0,0|0,0,0]=2 30 B11R1.605 CCOc1c(occc1=S)C c5005b5c4c26c9228212e38253712857 [0,2,0,0,0,0|0,1,0]=3 31 B11R1.605 Cc1[nH]ccc(=O)c1OCF 1a5a8058b5fede6356742c61ff021b6d [0,2,0,0,0,0|1,0,0]=3 32 B11R1.605 Cc1cccc(c1NCO)C d904894c28d4a9f50022cce2016578ec [0,2,0,0,0,0|2,0,0]=4 33 B11R1.605 Cc1cccc(c1NCO)Cl 8cfea1d1a6a77734ea6762688ece33b6 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.605 Cc1cccc(c1NCO)F f9d114753dc85efe907a3a26fc109db7 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.605 Cc1cccc(c1NCO)I e771995c9e7a71c9b406c186265e2670 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.605 Cc1cccc(c1OCF)Br 6d3522e503d0e13c89bd3b24473fc4da [0,2,0,0,0,0|2,0,0]=4 37 B11R1.605 Cc1cccc(c1OCF)C bec94c882f431de4a0530138f9b00e2c [0,2,0,0,0,0|2,0,0]=4 38 B11R1.605 Cc1cccc(c1OCF)Cl 875264748e7921e70c46085ff5802f9a [0,2,0,0,0,0|2,0,0]=4 39 B11R1.605 Cc1cccc(c1OCF)F 52dd6de4ee47741c1e09a00c5e06e03c [0,2,0,0,0,0|2,0,0]=4 40 B11R1.605 Cc1cccc(c1OCF)I 3856513e6e0cf66d4c0abf86c9ca8591 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.605 Cc1ccnc(c1NCO)C f0d019b65e653e51f3c7e50e832f0403 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.605 Cc1ccnc(c1OCF)C 55f1f30d8a445454b554ea3404ea1a64 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.605 Cc1nc[nH]c(=O)c1NCO cec89f2abdbfd3147f47a024a623f8e3 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.605 Cc1nccc(c1NCO)Br 6227414f6e8b744c75b96c01ed81e5c5 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.605 Cc1nccc(c1NCO)Cl 1559222875086b2458fc8574688e98c3 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.605 Cc1occc(=O)c1OCF 6fb8373b86c62220cb889371182641c8 [0,2,0,0,0,0|0,0,0]=2 47 B11R1.605 Cc1occc(=S)c1OCF 432ab7673518777a09ac1aeffb02fdff [0,2,0,0,0,0|0,1,0]=3 48 B9R1.7 Cc1cnc(o1)NC=O cfd6ebc730ca2ded602ff2e8f15b7668 [0,0,1,1,0,0|2,0,0]=4 49 B9R1.7 Cc1coc(n1)NC=O 9359b762456878c5b3737907ddf92820 [0,0,1,1,0,0|2,0,0]=4