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[1,0,0,0,0,0|2,0,1]=4 153 B6R0.6 CCOCC#CI c5125846087d34184525bc1c772ba69a [1,0,0,0,0,0|2,0,1]=4 154 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|2,0,1]=4 157 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|2,0,0]=3 158 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|2,0,0]=3 160 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|2,0,0]=3 161 B6R0.6 CCOCNC#N 78dbc831fd4cf862818c3ec7bd4116c9 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.1 C#CCC(C)OCCC 726b29ef337798823059b3efca55fe70 [0,1,0,0,0,0|1,0,2]=4 167 B8R0.1 C#CCC(C)OCCF 1ab7d059b39e08a484ad1837b7116aad [0,1,0,0,0,0|1,0,2]=4 168 B8R0.1 C#CCC(C)OCCS 6d00ace3c2a736d579275f0bd36847ad [0,1,0,0,0,0|1,0,2]=4 169 B8R0.1 C#CCC(C)OCSC bb02c72767ccac090c5896e4c57a1b30 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.1 C#CCNC(C)CCC 904a95c2d539aee151943a21e058e5d4 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.1 C#CCN[C@@H](C)CCC 3830c22a3d09976b992f49636d5b1dfd [0,1,0,0,0,0|2,0,1]=4 172 B8R0.1 C#CCOC(C)/C=C/C 90b7fe031137175032fb64c4f15458aa [0,1,0,0,0,0|1,0,2]=4 173 B8R0.1 C#CCOC(C)C#CC 241fd64f464a26043cfaf0d9e982c06a [0,1,0,0,0,0|1,0,2]=4 174 B8R0.1 C#CCOC(C)C=CC c983367fa5c1268010cd21b241101c6d [0,1,0,0,0,0|1,0,2]=4 175 B8R0.1 C#CCOC(C)CCC 292a9da26dd6fef6b77c2dfe0aefdcd5 [0,1,0,0,0,0|1,0,1]=3 176 B8R0.1 C#CCOC(C)COC e10ca3aaf1a72a27f0b82fbb3ac4b627 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.1 C#CCOC(C)CSC 2203e778a2c3e1c34211373f1ff4006d [0,1,0,0,0,0|2,0,1]=4 178 B8R0.1 C#CCO[C@@H](C)CCC 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a45dcff5acaff24e8a928ffef7da10dd [0,1,0,0,0,0|1,0,2]=4 191 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [0,1,0,0,0,0|1,0,2]=4 192 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [0,1,0,0,0,0|1,0,2]=4 193 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [0,1,0,0,0,0|1,0,2]=4 194 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,1,0,0,0,0|1,0,2]=4 195 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,0,0,0,0|1,0,1]=3 196 B8R0.1 C=CCCC(C)OCF 2fe0bf3483d518898b11cb64496852dd [0,1,0,0,0,0|2,0,1]=4 197 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,0,0,0,0|1,0,1]=3 198 B8R0.1 C=CCC[C@@H](C)OCF 56aa63106d3c71dcf2e80e084457afa8 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [0,1,0,0,0,0|2,0,1]=4 200 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [0,1,0,0,0,0|2,0,1]=4 201 B8R0.1 C=CCOC(C)/C=C/C 2d3040ed061ba59ad42c62382cb03431 [0,1,0,0,0,0|1,0,2]=4 202 B8R0.1 C=CCOC(C)C#CC 414b00087eb1fb03e8925f7d836f406a [0,1,0,0,0,0|1,0,2]=4 203 B8R0.1 C=CCOC(C)C=CC 9b2ae3e602cdf0cf19feec1297a98bfe [0,1,0,0,0,0|1,0,2]=4 204 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,1,0,0,0,0|1,0,1]=3 205 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [0,1,0,0,0,0|2,0,1]=4 206 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,1,0,0,0,0|1,0,1]=3 208 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [0,1,0,0,0,0|1,0,2]=4 215 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,1,0,0,0,0|1,0,2]=4 216 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [0,1,0,0,0,0|1,0,2]=4 218 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.1 CC#CC(C)OCC#N 6ae44716019f7d76923c4bee70b39941 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.1 CC#CC(C)OCC=O 0936b2d98ed4cec8bffedc9581b11964 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.1 CC#CC(C)OCCC 113080c97d86d0cb0f205db23466d919 [0,1,0,0,0,0|1,0,1]=3 224 B8R0.1 CC#CC(C)OCCF d8bb2efded898497bb34e7f9ce3d05eb [0,1,0,0,0,0|1,0,1]=3 225 B8R0.1 CC#CC(C)OCCS b58687f3fb0bcc9589b280648c070520 [0,1,0,0,0,0|1,0,1]=3 226 B8R0.1 CC#CC(C)OCOC af8dbb4483574d7f52262e66898507bf [0,1,0,0,0,0|1,0,1]=3 227 B8R0.1 CC#CC(C)OCSC 6963deff620e62d385872d8fba480a5f [0,1,0,0,0,0|1,0,1]=3 228 B8R0.1 CC(CC#N)OCCF 242fe6a52f369bb10dd75b7367d22f85 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.1 CC(CC#N)OCCS 6ad4eb77ca72315e4d40e0a32521468a [0,1,0,0,0,0|2,0,1]=4 230 B8R0.1 CC(CCCO)NCF b241aebd82c44bc910db1b371b5b76bf [0,1,0,0,0,0|3,0,0]=4 231 B8R0.1 CC(CCCO)NCO 409c6d583f7d914d396566d61e0bf62f [0,1,0,0,0,0|3,0,0]=4 232 B8R0.1 CC(CCO)NCCBr 9b5f002d95be67cfb3c77312635814a6 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.1 CC(CCO)NCCF 4e257f114308a239c2538fd78e65f082 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.1 CC(CCO)NCCI 24edf90a2f3b29d67860206f5f06d1a2 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.1 CC(CCO)NCCO 0a38eb93d70e76c5195f8f8b7e0bc79d [0,1,0,0,0,0|3,0,0]=4 236 B8R0.1 CC(CCO)NCCS 7f5bd57c90f526174e20091745409967 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.1 CC=CC(C)OCC#N 39affb23528cd1f4ed9929dc73008567 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [0,1,0,0,0,0|1,0,2]=4 239 B8R0.1 CC=CC(C)OCCC d62e55aefb4912836b720106d29ce9c5 [0,1,0,0,0,0|1,0,1]=3 240 B8R0.1 CC=CC(C)OCCF ba6301f6f87e211fb33c607df00d8a0c [0,1,0,0,0,0|1,0,1]=3 241 B8R0.1 CC=CC(C)OCCS 02646f09bd8a02cbc22c0c81965c173c [0,1,0,0,0,0|1,0,1]=3 242 B8R0.1 CC=CC(C)OCOC 1574b59a1545c116aef18dabe2c45084 [0,1,0,0,0,0|1,0,1]=3 243 B8R0.1 CC=CC(C)OCSC 649acf68090c01608c547993a8bbff15 [0,1,0,0,0,0|1,0,1]=3 244 B8R0.1 CCC#CC(C)OCC d76be9df2c7cf1b4438967176018af44 [0,1,0,0,0,0|1,0,0]=2 245 B8R0.1 CCC#CC(C)OCF a04d8d962d9ca5664ac1ca374bda4ffd [0,1,0,0,0,0|2,0,0]=3 246 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,1,0,0,0,0|2,0,1]=4 247 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,1,0,0,0,0|2,0,1]=4 248 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,1,0,0,0,0|2,0,1]=4 250 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,1,0,0,0,0|1,0,0]=2 251 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [0,1,0,0,0,0|2,0,0]=3 252 B8R0.1 CCCC(C)NCC#N 922f6b6c54005aee290e90bbc567adb3 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,1,0,0,0,0|2,0,1]=4 254 B8R0.1 CCCC(C)NCCBr 753adf372612d932eb167d3c6c6a7373 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.1 CCCC(C)NCCF 561290ca4cbab4d4179520d904990ead [0,1,0,0,0,0|2,0,0]=3 256 B8R0.1 CCCC(C)NCCI 853631fdd24c7675889f7c8342411ed2 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,1,0,0,0,0|2,0,0]=3 258 B8R0.1 CCCC(C)NCCS ae0edf47df652752132304246cff565d [0,1,0,0,0,0|2,0,0]=3 259 B8R0.1 CCCC(C)NCOC 7593556ba3b3358786240e76b9dc1cde [0,1,0,0,0,0|2,0,0]=3 260 B8R0.1 CCCC(C)NCSC 3493d269ab799371709caa3d578d33ab [0,1,0,0,0,0|2,0,0]=3 261 B8R0.1 CCCC(C)OCC#N 4085f27291709d3acf54fc2da94130ba [0,1,0,0,0,0|1,0,1]=3 262 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,1,0,0,0,0|1,0,1]=3 263 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [0,1,0,0,0,0|1,0,0]=2 264 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [0,1,0,0,0,0|1,0,0]=2 265 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [0,1,0,0,0,0|1,0,0]=2 266 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,1,0,0,0,0|1,0,0]=2 267 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.1 CCCCC(C)NCF db34d3f788f978f6333b2ef84533bba3 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|1,0,0]=2 272 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,0,0,0,0|2,0,0]=3 275 B8R0.1 CCCC[C@@H](C)NCF 370b9a3d7cbc257e234752372becfe14 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|1,0,0]=2 278 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,1,0,0,0,0|2,0,0]=3 279 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.1 CCCN(C)CCCF 59925d2d70ed2cd32e04f065de645944 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.1 CCCN(C)CCOC 3001c1572568a855669d478bf72bb14a [0,1,0,0,0,0|3,0,0]=4 285 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,1,0,0,0,0|3,0,0]=4 286 B8R0.1 CCCN(C)COCC cf6f2674ada2fc38b6be0d5d76fba32b [0,1,0,0,0,0|2,0,0]=3 287 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [0,1,0,0,0,0|2,0,0]=3 288 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [0,1,0,0,0,0|2,0,0]=3 291 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,1,0,0,0,0|3,0,0]=4 294 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,1,0,0,0,0|3,0,0]=4 295 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,1,0,0,0,0|2,0,1]=4 296 B8R0.1 CCCOC(C)CC#N 407318eac9e44ed191090c3a4ee1db31 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,1,0,0,0,0|1,0,0]=2 298 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.1 CCCO[C@@H](C)CC#N e1cc5f2702a0bdb4ec145d80cec246cf [0,1,0,0,0,0|2,0,1]=4 301 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,1,0,0,0,0|1,0,0]=2 302 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,1,0,0,0,0|2,0,0]=3 303 B8R0.1 CCCO[C@H](C)CC#N 92b4d59f363ebe9abc712b1a1f2a0233 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,1,0,0,0,0|1,0,0]=2 305 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,1,0,0,0,0|2,0,0]=3 306 B8R0.1 CCC[C@@H](C)OCC#N 6cfa39cf188e361c410ed92789c272b5 [0,1,0,0,0,0|1,0,1]=3 307 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,1,0,0,0,0|1,0,1]=3 308 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [0,1,0,0,0,0|1,0,0]=2 309 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [0,1,0,0,0,0|1,0,0]=2 310 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [0,1,0,0,0,0|1,0,0]=2 311 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,1,0,0,0,0|1,0,0]=2 312 B8R0.1 CCC[C@H](C)NCC#N f729fd78de4d2dbac625f813b0bf3743 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,1,0,0,0,0|2,0,1]=4 314 B8R0.1 CCC[C@H](C)NCCF ad34b2e1bc15d73c299f2f9233e9fc6d [0,1,0,0,0,0|2,0,0]=3 315 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,1,0,0,0,0|2,0,0]=3 316 B8R0.1 CCC[C@H](C)NCCS 4b977739e63bd4bdba50b1434c29865f [0,1,0,0,0,0|2,0,0]=3 317 B8R0.1 CCC[C@H](C)NCOC e6035597a8eb8fe082f6fe480c7fc30b [0,1,0,0,0,0|2,0,0]=3 318 B8R0.1 CCC[C@H](C)NCSC 104ebf702d7962ee0497ce7761710d65 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.1 CCC[C@H](C)OCC#N a65ccb7a75a6f63c6043f7514ae51a4c [0,1,0,0,0,0|1,0,1]=3 320 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,1,0,0,0,0|1,0,1]=3 321 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [0,1,0,0,0,0|1,0,0]=2 322 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [0,1,0,0,0,0|1,0,0]=2 323 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [0,1,0,0,0,0|1,0,0]=2 324 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,1,0,0,0,0|1,0,0]=2 325 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,0,0,0,0|2,0,1]=4 326 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,1,0,0,0,0|3,0,0]=4 329 B8R0.1 CCNCC(C)OCC eada9db090733897974960683afe5496 [0,1,0,0,0,0|1,0,0]=2 330 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,1,0,0,0,0|2,0,0]=3 331 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,1,0,0,0,0|1,0,0]=2 333 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,1,0,0,0,0|1,0,0]=2 334 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,1,0,0,0,0|2,0,1]=4 335 B8R0.1 CCOC(C)CNCF be2ee28f67404fc5b60bff7ea6d449a0 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.1 CCOC(C)CNCO 3791a70ca25acb67327e3b2673fe76fd [0,1,0,0,0,0|2,0,0]=3 337 B8R0.1 CCOC(C)COCF e0bd0d7aebb310cf311ec127f701e0f8 [0,1,0,0,0,0|1,0,0]=2 338 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,1,0,0,0,0|1,0,1]=3 339 B8R0.1 CCOCC(C)OCC 20a9fb9f86ef4d51ef11c7f7a467151a [0,1,0,0,0,0|0,0,0]=1 340 B8R0.1 CCOCC(C)OCF bcb6d4f0696d0db17649578eada29ff8 [0,1,0,0,0,0|1,0,0]=2 341 B8R0.1 CCOCN(C)CCF 15f09a6694334e8fa617a47fe167018e [0,1,0,0,0,0|3,0,0]=4 342 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,1,0,0,0,0|3,0,0]=4 343 B8R0.1 COCC(C)COCF e897d0b734ee4ae2a4e0fcf0c31d6f85 [0,1,0,0,0,0|3,0,0]=4 344 B8R0.1 COCC(C)NCCBr 7e7899007a79744e746e34b0e88edf2b [0,1,0,0,0,0|3,0,0]=4 345 B8R0.1 COCC(C)NCCF 557cdfba1af62f98bed1b41c8dc60606 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.1 COCC(C)NCCI d72e8ee75c83d066d0a0f78aee871581 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.1 COCC(C)NCCO 50121ba26215b782d2891c1068ffac80 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.1 COCC(C)NCCS 0c48b5ac3fb6b83a7c07cb573cbf905d [0,1,0,0,0,0|3,0,0]=4 349 B8R0.1 COCC(C)NCSC c65c691b291feca97768e9e081d9e61b [0,1,0,0,0,0|3,0,0]=4 350 B8R0.1 COCC(C)OCC#N b85475f5f7d44baf3515d42e78c346ea [0,1,0,0,0,0|2,0,1]=4 351 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.1 COCC(C)OCCF 4d25fe5841fbbc0958bbed68d66d45cd [0,1,0,0,0,0|2,0,0]=3 353 B8R0.1 COCC(C)OCCS dc09b0fb0753a53299a8d871512bc6a2 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.1 COCC(C)OCSC ac9b2ab32f9f977b5baebe980be0f344 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.1 COCCC(C)OCF 1c24462098656029d24876204a2cded4 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.1 COCNC(C)CCO beef74a08774c424be705bcf888f26fa [0,1,0,0,0,0|3,0,0]=4 357 B8R0.1 COCNC(C)COC 250e9396c28d5b4d35b8d6778a33f28b [0,1,0,0,0,0|3,0,0]=4 358 B8R0.1 COCN[C@@H](C)CCO 846c34ef1a51838a6139eeea9d4f99da [0,1,0,0,0,0|3,0,0]=4 359 B8R0.1 COCN[C@@H](C)COC 28e1e39ec4c3a6c7735e0e01086ca38a [0,1,0,0,0,0|3,0,0]=4 360 B8R0.1 COCN[C@H](C)CCO 92078ebb5dafc18f4d78c5f9e159a8b4 [0,1,0,0,0,0|3,0,0]=4 361 B8R0.1 COCN[C@H](C)COC a708542bac98d3d1489ba8503cb4c50d [0,1,0,0,0,0|3,0,0]=4 362 B8R0.1 COCOC(C)CC#N 0682782c46f343ea8ea7ab951470537f [0,1,0,0,0,0|2,0,1]=4 363 B8R0.1 COCOC(C)COC 7dd669d6ea2494b3523f618492ce68f2 [0,1,0,0,0,0|2,0,0]=3 364 B8R0.1 COCOC(C)CSC 67f2cecd3f83eeb485abb23e4115d530 [0,1,0,0,0,0|2,0,0]=3 365 B8R0.1 COCO[C@@H](C)COC 8b24e85ea2d85b99e5e5d22ec5bd1a47 [0,1,0,0,0,0|2,0,0]=3 366 B8R0.1 COCO[C@H](C)COC 3aa38d1467a3f8a477b83b1e15d1f395 [0,1,0,0,0,0|2,0,0]=3 367 B8R0.1 COC[C@@H](C)NCCF 42cfad7510b920e2cbb6795ba35d53ec [0,1,0,0,0,0|3,0,0]=4 368 B8R0.1 COC[C@@H](C)NCCO b9e85493d099197a11d2edf7d0650981 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.1 COC[C@@H](C)NCCS c1a0ef2c1db0eafdfbae83e6b2ab6150 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.1 COC[C@@H](C)NCSC a373e5142c49c6b8358dc6f2a80e75c6 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.1 COC[C@@H](C)OCC#N 4ced25e04c8d00410e46d87b492058a7 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,1,0,0,0,0|2,0,1]=4 373 B8R0.1 COC[C@@H](C)OCCF c6f35b3504e96433ddf50584161123c4 [0,1,0,0,0,0|2,0,0]=3 374 B8R0.1 COC[C@@H](C)OCCS 97c93538d74314c75d1f95b22f9ee5ea [0,1,0,0,0,0|2,0,0]=3 375 B8R0.1 COC[C@@H](C)OCSC aa5c9cbc144555adec3b3216ca3944d4 [0,1,0,0,0,0|2,0,0]=3 376 B8R0.1 COC[C@H](C)COCF 984e8e8ac9c3550500a6fa92e66ed37a [0,1,0,0,0,0|3,0,0]=4 377 B8R0.1 COC[C@H](C)NCCF 557ce4da8f4fb038d07789d43c01e324 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.1 COC[C@H](C)NCCO d2e33cba22598bc0a84da0258db0aed7 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.1 COC[C@H](C)NCCS 7dadc5772c9df6151c25bf104059e3fe [0,1,0,0,0,0|3,0,0]=4 380 B8R0.1 COC[C@H](C)NCSC 32dd16ad91f658657131385e4dd12f54 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.1 COC[C@H](C)OCC#N 7afc5eaf62084b9e764ec71eea8850d5 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,1,0,0,0,0|2,0,1]=4 383 B8R0.1 COC[C@H](C)OCCF 5868f63f2ae9b3c9cc835061e035dd23 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.1 COC[C@H](C)OCCS 7322d1c93dd5ab6f4b1a0e283db4fa99 [0,1,0,0,0,0|2,0,0]=3 385 B8R0.1 COC[C@H](C)OCSC c2a2f3066cbeb1757c54bc82b005ec40 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.1 CSCC(C)OCC#N 887eca56e5116979b16e1d6b269ff8e6 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.1 CSCC(C)OCCF a09a905ddb581f9ec7a4a8fc9c3b330c [0,1,0,0,0,0|2,0,0]=3 389 B8R0.1 CSCC(C)OCCS 87c78ed89e5ba05b837584ab98110c8a [0,1,0,0,0,0|2,0,0]=3 390 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,1,0,0,0,0|2,0,0]=3 391 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,1,0,0,0,0|3,0,0]=4 392 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,1,0,0,0,0|3,0,0]=4 393 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.1 CSCOC(C)CC#N 82258fbdf25b30f079772f67634d60a8 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.1 CSCOC(C)CSC fd4788b9d6e38c9985f276fa19ca967e [0,1,0,0,0,0|2,0,0]=3 396 B8R0.1 CSCO[C@@H](C)CC#N c7dc0b9e4684d90333d3995116c058a6 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.1 CSCO[C@H](C)CC#N ab2ed16860b4cad06a3cf0feae0c30a7 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.1 C[C@@H](CC#N)OCCF 0239b81ca58fc8a011a7bc1cb3613e6f [0,1,0,0,0,0|2,0,1]=4 399 B8R0.1 C[C@@H](CC#N)OCCS 5a5df71265fa40812fd276d78ffdf4fa [0,1,0,0,0,0|2,0,1]=4 400 B8R0.1 C[C@@H](CCO)NCCF c4114ad9237021fc43e0b45cbec3ae30 [0,1,0,0,0,0|3,0,0]=4 401 B8R0.1 C[C@@H](CCO)NCCO d2e7fd644e961d6f86d76e6efcd22d24 [0,1,0,0,0,0|3,0,0]=4 402 B8R0.1 C[C@@H](CCO)NCCS 46128b2ebad6b96cf3a0db53184e8aeb [0,1,0,0,0,0|3,0,0]=4 403 B8R0.1 C[C@H](CC#N)OCCF e42797d762f330da103576e291f96331 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.1 C[C@H](CC#N)OCCS 8ffa245ae21b76f007a2b9d8633ee0e9 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.1 C[C@H](CCCO)NCF 739629949299962ce494801aa452596e [0,1,0,0,0,0|3,0,0]=4 406 B8R0.1 C[C@H](CCCO)NCO 344fc929e55b0072ca3709d4cee8b54f [0,1,0,0,0,0|3,0,0]=4 407 B8R0.1 C[C@H](CCO)NCCF a4b20a6c6b1f8a9eafb5ab03e272b019 [0,1,0,0,0,0|3,0,0]=4 408 B8R0.1 C[C@H](CCO)NCCO a3f01fe7a9fe79340267f6653a06eb66 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.1 C[C@H](CCO)NCCS 9253753fad1a3272b1c7345dfbc236be [0,1,0,0,0,0|3,0,0]=4 410 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7174985858b6754d29082e0523030593 [0,1,0,0,0,0|1,0,2]=4 411 B8R0.3 C=C[C@@H](C)[C@H](C)OCC 1539f179cedf60643533cb2e64df525b [0,1,0,0,0,0|1,0,2]=4 412 B8R0.3 C=C[C@H](C)[C@@H](C)OCC d464e2ddb3652873a2501204a8efab8b [0,1,0,0,0,0|1,0,2]=4 413 B8R0.3 C=C[C@H](C)[C@H](C)OCC 0a872f2d6d98f6438e7af34bb761da4a [0,1,0,0,0,0|1,0,2]=4 414 B8R0.3 CCC(C)C(C)NCF fe9d4e9529464615b54d2d41b186082b [0,1,0,0,0,0|3,0,0]=4 415 B8R0.3 CCC(C)C(C)NCO 277f53ad262119755b7dcc96cccca676 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.3 CCC(C)C(C)OCF 30627d9b103d83cf836466428f65b8c3 [0,1,0,0,0,0|2,0,0]=3 417 B8R0.3 CCCC(C)N(C)CC 6499897a93030fa97deb05cc92a0b8e3 [0,1,0,0,0,0|2,0,0]=3 418 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.3 CCCN(C)C(C)CC e90ec3dd5d6af029f20e2d820addd400 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.3 CCN(C)C(C)CCO 147ef76c8fa4150e2aaf31d64798013d [0,1,0,0,0,0|3,0,0]=4 421 B8R0.3 CCN(C)C(C)COC 46ed6fe0facd15cfd7b3a6c78dfc34e0 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.3 CCN(C)[C@@H](C)CCO 24ac5e527b3f4820ff3091cd834d29a1 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,0,0,0,0|3,0,0]=4 424 B8R0.3 CCNC(C)C(C)CC 9ef4d65391d7628df65d08a9e996100f [0,1,0,0,0,0|2,0,0]=3 425 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,0,0,0,0|2,0,0]=3 426 B8R0.3 CCOC(C)C(C)CC bb6404bf405bb18f7200bca5bcafe98a [0,1,0,0,0,0|1,0,0]=2 427 B8R0.3 CCOC(C)C(C)OC 9c4f80364c61bd6b6d6dccb09e64f357 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,0,0,0,0|2,0,0]=3 429 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,1,0,0,0,0|3,0,0]=4 431 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.3 COC(C)C(C)OCF 9d0e23209b95532a7256c20203a8f5b2 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.5 C#CCC(C)OC(C)C afbbe4bf479830c6b3a3b7622166a000 [0,1,0,0,0,0|1,0,2]=4 435 B8R0.5 C/C=C/C(C)OC(C)C 3fc3b71e5112498c32ab71ebfb48689d [0,1,0,0,0,0|1,0,1]=3 436 B8R0.5 C=CCC(C)OC(C)C 45825ae26f455c78095404e7f4d38fa0 [0,1,0,0,0,0|1,0,2]=4 437 B8R0.5 C=CC[C@@H](C)OC(C)C d81df3e229a2355212eeaf2dac2b4426 [0,1,0,0,0,0|1,0,2]=4 438 B8R0.5 C=CC[C@H](C)OC(C)C 2ebaf3f133b5c58d9bd9bf758c41b800 [0,1,0,0,0,0|1,0,2]=4 439 B8R0.5 CC#CC(C)OC(C)C 94397d01688681f18db142a62275d18c [0,1,0,0,0,0|1,0,1]=3 440 B8R0.5 CC(C)CC(C)NCF 2947eae3bc5a2ca3b413e712dc2d17ba [0,1,0,0,0,0|3,0,0]=4 441 B8R0.5 CC(C)CC(C)NCO fda8b77345a43971581a5fdf198496ed [0,1,0,0,0,0|3,0,0]=4 442 B8R0.5 CC(C)CC(C)OCF df3d77bcb70b379ba02111d4ab191925 [0,1,0,0,0,0|2,0,0]=3 443 B8R0.5 CC(C)C[C@@H](C)OCF f59d7cb8778da0cafb571f6f713e384e [0,1,0,0,0,0|2,0,0]=3 444 B8R0.5 CC(C)C[C@H](C)OCF 2266bd706cca147fe8369e224957217a [0,1,0,0,0,0|2,0,0]=3 445 B8R0.5 CC(C)NC(C)CCO 9e72e2294640a5a5bdd47c8c15fa6ebc [0,1,0,0,0,0|3,0,0]=4 446 B8R0.5 CC(C)N[C@@H](C)CCO f00801b59b355a8660dff24ba4f60f20 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.5 CC(C)N[C@H](C)CCO 17f4d157c114d55502ca3004b5471931 [0,1,0,0,0,0|3,0,0]=4 448 B8R0.5 CC(C)OC(C)CC#N c9ef763e5a09e3ed3df0571f62e6ec78 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.5 CC(C)O[C@@H](C)CC#N f8cf9d498e19656d68bd3d2c30607228 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.5 CC(C)O[C@H](C)CC#N 3e54a0d621de3dc498eb64990dd193a9 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.5 CC(CN(C)C)OCF 69d4713ee06b2675e560eea99c487e4e [0,1,0,0,0,0|3,0,0]=4 452 B8R0.5 CC(O)CC(C)NCF 1a954ad92b2cd85f7c1e8eb7cc709982 [0,1,0,0,0,0|3,0,0]=4 453 B8R0.5 CC(O)CC(C)NCO a3e3cf347616fa2466ad965e211d77eb [0,1,0,0,0,0|3,0,0]=4 454 B8R0.5 CC=CC(C)OC(C)C 4d526ed4c4791e35f130177176885572 [0,1,0,0,0,0|1,0,1]=3 455 B8R0.5 CCCC(=S)OC(C)C 79ff90d7e7d68c5664ea5acd6b8154a5 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,1,0,0,0,0|2,0,1]=4 457 B8R0.5 CCCC(C)NC(C)C f8bb5c8de6d4ec16bb81d8451bfb16da [0,1,0,0,0,0|2,0,0]=3 458 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,1,0,0,0,0|1,0,0]=2 459 B8R0.5 CCCN(C)CC(C)C 2b43726cfeef4d65e0d306fc15d81329 [0,1,0,0,0,0|3,0,0]=4 460 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,1,0,0,0,0|3,0,0]=4 461 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,1,0,0,0,0|3,0,0]=4 463 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,1,0,0,0,0|1,0,0]=2 464 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.5 CCC[C@H](C)NC(C)C f5cc882f68b964118786668968029765 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,1,0,0,0,0|1,0,0]=2 467 B8R0.5 CCNC(C)CC(C)C 865caec34869d14200fe8a23ded15c61 [0,1,0,0,0,0|2,0,0]=3 468 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [0,1,0,0,0,0|2,0,0]=3 469 B8R0.5 CCNC(C)CN(C)C 3647b655ca2afa948df2daf8e7b3863a [0,1,0,0,0,0|3,0,0]=4 470 B8R0.5 CCN[C@@H](C)CN(C)C 73dbe197bb194ada6ceef16a3da0165d [0,1,0,0,0,0|3,0,0]=4 471 B8R0.5 CCN[C@H](C)CN(C)C a51baa1074a724bab895601c4ea99cae [0,1,0,0,0,0|3,0,0]=4 472 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [0,1,0,0,0,0|1,0,0]=2 475 B8R0.5 CCOC(C)CN(C)C 37b413e4bc800fbab3da37dd4e9fe161 [0,1,0,0,0,0|2,0,0]=3 476 B8R0.5 CCOC(C)C[N+](=O)[O-] b27ec23ecb023bda7a5b2b5d22939688 [0,1,0,0,0,0|3,0,0]=4 477 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,1,0,0,0,0|2,0,1]=4 478 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [0,1,0,0,0,0|1,0,0]=2 479 B8R0.5 CCO[C@@H](C)CN(C)C ae40d79a21e92f2f1cf9ae60d7945b2b [0,1,0,0,0,0|2,0,0]=3 480 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [0,1,0,0,0,0|1,0,0]=2 482 B8R0.5 CCO[C@H](C)CN(C)C 28a6b24d1c425360d0b5ae251533cba1 [0,1,0,0,0,0|2,0,0]=3 483 B8R0.5 COCC(C)NC(C)C f325acefc3a4b4e0a2584e9b15f5748d [0,1,0,0,0,0|3,0,0]=4 484 B8R0.5 COCC(C)OC(C)C 42224fedc69e8b9186e7b6a47072d544 [0,1,0,0,0,0|2,0,0]=3 485 B8R0.5 COC[C@@H](C)NC(C)C 77969946784bfff00792344cde0e266f [0,1,0,0,0,0|3,0,0]=4 486 B8R0.5 COC[C@@H](C)OC(C)C 55e39c13b20d1d01aae9f00d8a695fef [0,1,0,0,0,0|2,0,0]=3 487 B8R0.5 COC[C@H](C)NC(C)C bc3fa56fdda5cf62da7a7ae0ce122b0a [0,1,0,0,0,0|3,0,0]=4 488 B8R0.5 COC[C@H](C)OC(C)C 937e8d4809322b8fa6634d0115399612 [0,1,0,0,0,0|2,0,0]=3 489 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.5 C[C@@H](CN(C)C)OCF 0ae620374e429262e91713db1eeeaaa0 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.5 C[C@H](CN(C)C)OCF 133aec32b6e9a70d8206d9599e505baf [0,1,0,0,0,0|3,0,0]=4 492 B8R0.22 C#CC(CCC)OCC f22d8bf31fea2adfe9fa207ed6558425 [0,1,0,0,0,0|1,0,1]=3 493 B8R0.22 C#CC(CCC)OCF 066ad6ea4f1bb05c6805ea87622709a8 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.22 C#CCC(CC)OCC 429ada3bf02fda515e344a1961ca3855 [0,1,0,0,0,0|1,0,2]=4 495 B8R0.22 C=CC(CCC)OCC 83f7ef8d30a51e1e5c4db64e2faf14e7 [0,1,0,0,0,0|1,0,1]=3 496 B8R0.22 C=CC(CCC)OCF f2ad51c370e6c1e95441feeeebf65549 [0,1,0,0,0,0|2,0,1]=4 497 B8R0.22 CCC(COC)OCF e4a3f6d1c69a2354f3937d8ddd14d68d [0,1,0,0,0,0|3,0,0]=4 498 B8R0.22 CCC(CSC)OCF 2ad6205708c499d48b4ee5a13ffd89a9 [0,1,0,0,0,0|3,0,0]=4 499 B8R0.22 CCCC(C#N)OCC a338cf0a28ea8309ca076bf548560d98 [0,1,0,0,0,0|1,0,1]=3 500 B8R0.22 CCCC(C#N)OCF 265d20fb781fbc2157e4f384484b9c1b [0,1,0,0,0,0|2,0,1]=4 501 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,1,0,0,0,0|1,0,0]=2 502 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [0,1,0,0,0,0|2,0,0]=3 503 B8R0.22 CCCC(CO)NCC b8c7f0be112f24c01dd7f8415b0a6e3f [0,1,0,0,0,0|2,0,0]=3 504 B8R0.22 CCCC(CO)NCF 599320bd2be0747b8bed7df28621facb [0,1,0,0,0,0|3,0,0]=4 505 B8R0.22 CCCC(CO)NCO 9c3e40eec7a20c9c6bcd4b99ddb42413 [0,1,0,0,0,0|3,0,0]=4 506 B8R0.22 CCCN(CC)CCC fbdeabbee1b9c3e90ce0dba0622f60e1 [0,1,0,0,0,0|3,0,0]=4 507 B8R0.22 CCCN(CF)CCC 13308840e37fb0db9101f8040f290680 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.22 CCCN(CO)CCC 8895812a51d2f9ffd61abab1a697cc71 [0,1,0,0,0,0|3,0,0]=4 509 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,1,0,0,0,0|1,0,0]=2 510 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [0,1,0,0,0,0|2,0,0]=3 511 B8R0.22 CCC[C@@H](CO)NCC 56ab3d096c6223ec587ad816d0445356 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.22 CCC[C@@H](CO)NCF b4bd85eb9c57e1dedb8d9d2040f14dab [0,1,0,0,0,0|3,0,0]=4 513 B8R0.22 CCC[C@@H](CO)NCO 4ac90204e4f97fc46e69b3f0ded63d81 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.22 CCC[C@H](CO)NCC 9c47d0227f2e89819e7d2ecbd9f9d4a0 [0,1,0,0,0,0|2,0,0]=3 515 B8R0.22 CCC[C@H](CO)NCF 105c0bc98bbce77139d17902b348729a [0,1,0,0,0,0|3,0,0]=4 516 B8R0.22 CCC[C@H](CO)NCO e0683eee624d27f46b1a3348d30863a7 [0,1,0,0,0,0|3,0,0]=4 517 B8R0.22 CCNC(CC)COC 521c86a50c9523c65950c003b096c2ad [0,1,0,0,0,0|3,0,0]=4 518 B8R0.22 CCNC(CO)CCO 236b212c9afd3f6159230d9b4b9c0ea7 [0,1,0,0,0,0|3,0,0]=4 519 B8R0.22 CCNC(CO)COC dc5a421175bec4d1104a8cefc3c5c193 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.22 CCNC(CO)CSC 0e65411c385155047d82063e7040c80c [0,1,0,0,0,0|3,0,0]=4 521 B8R0.22 CCN[C@@H](CO)CCO e7b1ee3f6445a52557c502ec712e1ce8 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.22 CCOC(CBr)CCBr bf0b9f756baa32efc7ef5720cc6f409c [0,1,0,0,0,0|2,0,0]=3 523 B8R0.22 CCOC(CC)CC#N b51f9a6ab553208797a0e3e5dafe2841 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.22 CCOC(CC)COC 5abfd343e0b4d1c299a8c6b54e73b27d [0,1,0,0,0,0|2,0,0]=3 525 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [0,1,0,0,0,0|2,0,0]=3 526 B8R0.22 CCOC(CCl)CCCl 5c073036ccca816860f171e244686a83 [0,1,0,0,0,0|2,0,0]=3 527 B8R0.22 CCO[C@H](CC)CC#N 0b719200a1cb6d6b1a758e5b97a05ecd [0,1,0,0,0,0|2,0,1]=4 528 B8R0.22 FCOC(CBr)CCBr 3144af2082c8cec0fe003d0816257fcc [0,1,0,0,0,0|3,0,0]=4 529 B8R0.22 FCOC(CCl)CCCl af2fbf570ab882fc44290de5a2904e82 [0,1,0,0,0,0|3,0,0]=4 530 B8R0.30 CCNC(C)(C)CCO fda6997d311c221bbc76b59309e8c52f [0,1,0,0,0,0|3,0,0]=4 531 B8R0.30 CCNC(C)(C)COC aa9cf80755c8a0fb708d3e3d6957afe4 [0,1,0,0,0,0|3,0,0]=4 532 B8R0.30 CCNC(C)(C)CSC 884b2acbe33f548d9bec97c31366f486 [0,1,0,0,0,0|3,0,0]=4 533 B8R1.6 CC1CC(C1)OCF b80ea014f54888f62d0ee22b52170730 [0,0,0,1,0,0|2,0,0]=3 534 B8R1.6 CCNC1CC(C1)F 285ffeb49947ca9ecfba515c76e7f9dd [0,0,0,1,0,0|3,0,0]=4 535 B8R1.6 CCNC1CC(C1)O ff109cf0f4e20ca9c93dd5c4ca790b90 [0,0,0,1,0,0|3,0,0]=4 536 B8R1.6 CCNC1CN(C1)C e6e8057e17367ff5f4b024e5d03ad93d [0,0,0,1,0,0|3,0,0]=4 537 B8R1.6 CCN[C@H]1C[C@@H](C1)F 4436755972f56b5589dded34e941f83d [0,0,0,1,0,0|3,0,0]=4 538 B8R1.6 CCN[C@H]1C[C@@H](C1)O ff7552bab4d1f2f4dc4f733d9dc54eaf [0,0,0,1,0,0|3,0,0]=4 539 B8R1.6 CCN[C@H]1C[C@H](C1)F b1e8a42a553129f9c516d00cf51dafb2 [0,0,0,1,0,0|3,0,0]=4 540 B8R1.6 CCN[C@H]1C[C@H](C1)O 951190e7ba8081e7d4167c17721dec43 [0,0,0,1,0,0|3,0,0]=4 541 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,0,0,1,0,0|2,0,1]=4 542 B8R1.6 CCOC1CC(C1)C 67b3f93a8ec637ab1677a5244b5d5ac6 [0,0,0,1,0,0|1,0,0]=2 543 B8R1.6 CCOC1CC(C1)F 477477cd5ae524e7ec653702a607b82d [0,0,0,1,0,0|2,0,0]=3 544 B8R1.6 CCOC1CN(C1)C 8db20e7e0e27f967e1e5f1c35979afc5 [0,0,0,1,0,0|2,0,0]=3 545 B8R1.6 CCO[C@H]1C[C@@H](C1)F 4d0f90d423ad0f13c1d6efb260a96866 [0,0,0,1,0,0|2,0,0]=3 546 B8R1.6 CCO[C@H]1C[C@H](C1)F 78a70dff2abfb804b6b22550ffaf11eb [0,0,0,1,0,0|2,0,0]=3 547 B8R1.6 CN1CC(C1)OCF f356d00a0577cecef314d8afcd3176a1 [0,0,0,1,0,0|3,0,0]=4 548 B8R1.6 FCOC1CC(C1)F 169e37c1474a4a1316cf91d1be76a421 [0,0,0,1,0,0|3,0,0]=4 549 B8R1.6 FCO[C@H]1C[C@@H](C1)F d5fe3142af8ad18345e191bae38df786 [0,0,0,1,0,0|3,0,0]=4 550 B8R1.6 FCO[C@H]1C[C@H](C1)F 139d6d389cd6a0b1c264eb55ef5051bf [0,0,0,1,0,0|3,0,0]=4 551 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,0,1,0,0|2,0,0]=3 552 B8R1.8 CCNC1CCOC1 737206c874ca44bb4105f186d98dceaf [0,0,0,1,0,0|3,0,0]=4 553 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,0,0,1,0,0|3,0,0]=4 554 B8R1.8 CCN[C@@H]1CCOC1 ea8be35858401c72a252c54227d785a4 [0,0,0,1,0,0|3,0,0]=4 555 B8R1.8 CCN[C@H]1CCOC1 769c9e7ca3f3567a61b1df1f6a912b2d [0,0,0,1,0,0|3,0,0]=4 556 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,0,0,1,0,0|1,0,1]=3 557 B8R1.8 CCOC1CC=CC1 e0d02274580f3ec492bcb66ee71bce9b [0,0,0,1,0,0|1,0,2]=4 558 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,1,0,0|1,0,0]=2 559 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,0,0,1,0,0|0,0,0]=1 560 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [0,0,0,1,0,0|2,0,0]=3 561 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,0,0,1,0,0|2,0,0]=3 562 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [0,0,0,1,0,0|2,0,0]=3 563 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,0,0,1,0,0|2,0,0]=3 564 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [0,0,0,1,0,0|2,0,0]=3 565 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,0,0,1,0,0|2,0,0]=3 566 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,0,0,1,0,0|3,0,0]=4 567 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [0,0,0,1,0,0|2,0,1]=4 568 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,0,0,1,0,0|2,0,0]=3 569 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,0,0,1,0,0|1,0,0]=2 570 B8R1.8 FCOC1CCOC1 dd266c2430124fff3fce691c18e28234 [0,0,0,1,0,0|3,0,0]=4 571 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,0,0,1,0,0|3,0,0]=4 572 B8R1.8 FCO[C@@H]1CCOC1 2f0a74cb641694e38feb66e5e3e7011f [0,0,0,1,0,0|3,0,0]=4 573 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,0,0,1,0,0|3,0,0]=4 574 B8R1.8 FCO[C@H]1CCOC1 60d51a47377d177f8c280d0a99b59886 [0,0,0,1,0,0|3,0,0]=4 575 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,0,0,1,0,0|3,0,0]=4 576 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,0,0,1,0,0|3,0,0]=4 577 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,0,0,1,0,0|3,0,0]=4 578 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,0,0,1,0,0|3,0,0]=4 579 B8R1.11 CC1SCCN1CF 1a8381f1c2fe5a108b794e80a5ee4e38 [0,0,0,1,0,0|2,1,0]=4 580 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,0,0,1,0,0|2,1,0]=4 581 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,0,0,1,0,0|2,0,0]=3 582 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,0,0,1,0,0|3,0,0]=4 583 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,0,0,1,0,0|2,0,0]=3 584 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,0,0,1,0,0|2,0,0]=3 585 B8R1.11 CCN1CCSC1C 6a56b5c1b50abad68d5899af3448227e [0,0,0,1,0,0|1,1,0]=3 586 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,0,0,1,0,0|3,0,0]=4 587 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,0,0,1,0,0|3,0,0]=4 588 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,0,0,1,0,0|3,0,0]=4 589 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,0,0,1,0,0|3,0,0]=4 590 B8R1.16 CC1CC(N1CF)C 3289a97bba2879d59090b846c1a9295f [0,0,0,1,0,0|3,0,0]=4 591 B8R1.16 CC1CC(N1CO)C 0d2cc050f7f7306033a09e6f9a4e942c [0,0,0,1,0,0|3,0,0]=4 592 B8R1.16 CCN1C(CC1C)C caa7a426b0056f3ed9602d58e88e5fb3 [0,0,0,1,0,0|2,0,0]=3 593 B8R1.16 CCN1[C@@H](C[C@@H]1C)C 6b71c5fa41e862407d367f59c872d6c8 [0,0,0,1,0,0|2,0,0]=3 594 B8R1.16 CCN1[C@@H](C[C@H]1C)C 31a518c2fb234fcc99ff5852357987ca [0,0,0,1,0,0|2,0,0]=3 595 B8R1.16 CCN1[C@H](C[C@@H]1C)C eafd91ee0f290812abdc6fa4506793fa [0,0,0,1,0,0|2,0,0]=3 596 B8R1.16 C[C@@H]1C[C@@H](N1CF)C 32aeaf0367ff5b1440620dca3572f44b [0,0,0,1,0,0|3,0,0]=4 597 B8R1.16 C[C@@H]1C[C@@H](N1CO)C 18f7bbadc01c95286f3cf39c2fbf1570 [0,0,0,1,0,0|3,0,0]=4 598 B8R1.16 C[C@@H]1C[C@H](N1CF)C 8a92840e51533693f6579fdd9fc124da [0,0,0,1,0,0|3,0,0]=4 599 B8R1.16 C[C@@H]1C[C@H](N1CO)C 41ebbbcfbee3186005b95ab10e69c145 [0,0,0,1,0,0|3,0,0]=4 600 B8R1.16 C[C@H]1C[C@@H](N1CF)C 5a89c52252504238f0ef6eb4afb1de98 [0,0,0,1,0,0|3,0,0]=4 601 B8R1.16 C[C@H]1C[C@@H](N1CO)C 2e0ec9fe5aa6c39451de63c0534f47eb [0,0,0,1,0,0|3,0,0]=4 602 B8R1.17 CCN[C@@H]1C[C@@H]1OC ad259a5443520644deb60f8f52443384 [0,0,0,1,0,0|3,0,0]=4 603 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,0,0,1,0,0|3,0,0]=4 604 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,0,0,1,0,0|3,0,0]=4 605 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,0,0,1,0,0|3,0,0]=4 606 B8R1.37 CC(OCF)C1CC1 fdfda646e62029811343f42e17866105 [0,0,0,1,0,0|2,0,0]=3 607 B8R1.37 CCCN(C)C1CC1 a74d24dd9139700310f848728ff8f1ee [0,0,0,1,0,0|3,0,0]=4 608 B8R1.37 CCN[C@@H](C)C1CC1 85a51bcbc9c68e01caf4bec9670fa8b0 [0,0,0,1,0,0|2,0,0]=3 609 B8R1.37 CCN[C@H](C)C1CC1 dec2ed19b3db3f3a8d17077be18767e3 [0,0,0,1,0,0|2,0,0]=3 610 B8R1.37 CCOC(C)C1CC1 526fc3f0c823fc41b9199d1aa6541386 [0,0,0,1,0,0|1,0,0]=2 611 B8R1.37 CCO[C@@H](C)C1CC1 b9ad01da095d4dd4d383aa1d3c7eee6a [0,0,0,1,0,0|1,0,0]=2 612 B8R1.37 CCO[C@H](C)C1CC1 9827b3948c8d24070570177d9e2b7efe [0,0,0,1,0,0|1,0,0]=2 613 B8R1.37 C[C@@H](NCF)C1CC1 055bff5f2bd8215f610b2ac5e4f9afdc [0,0,0,1,0,0|3,0,0]=4 614 B8R1.37 C[C@@H](NCO)C1CC1 a8252d7ff28f78efa26a1275681d8891 [0,0,0,1,0,0|3,0,0]=4 615 B8R1.37 C[C@@H](OCF)C1CC1 0b8c2a64c96de3b0209f5e698fd7dcff [0,0,0,1,0,0|2,0,0]=3 616 B8R1.37 C[C@H](NCF)C1CC1 1abe0de3c2e4e2f1159cb9ae8e365632 [0,0,0,1,0,0|3,0,0]=4 617 B8R1.37 C[C@H](NCO)C1CC1 e2c3fe94ce0d8db741d7237664f9e7a1 [0,0,0,1,0,0|3,0,0]=4 618 B8R1.37 C[C@H](OCF)C1CC1 dd71818f1bf1adfa35802aaa479603bf [0,0,0,1,0,0|2,0,0]=3 619 B8R1.66 CC1(CCC1)NCF c48aa958a12dac29abadd10927c59a1c [0,0,0,1,0,0|3,0,0]=4 620 B8R1.66 CC1(CCC1)NCO d06b99ffd2f6c88e44c2e041543a74af [0,0,0,1,0,0|3,0,0]=4 621 B8R1.66 CCNC1(CCC1)C 1f8051d2bf871e5f84e9fcb0672c3f92 [0,0,0,1,0,0|2,0,0]=3 622 B8R1.66 CCNC1(COC1)C 8d2ba112119f9eaa0283a12e4469024b [0,0,0,1,0,0|3,0,0]=4 623 B8R1.66 CCNC1(CSC1)C a5c8dc1699d0f809c2f86f5627b96af0 [0,0,0,1,0,0|3,0,0]=4 624 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [2,0,0,0,0,0|1,0,0]=3 625 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [2,0,0,0,0,0|0,0,0]=2 626 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [2,0,0,0,0,0|0,0,2]=4 627 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,0]=3 628 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 629 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|2,0,0]=4 630 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|0,0,0]=2 631 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|1,0,0]=3 632 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|2,0,0]=4 633 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|2,0,0]=4 634 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|2,0,0]=4 635 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|2,0,0]=4 636 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|2,0,0]=4 637 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [2,0,0,0,0,0|1,0,1]=4 638 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|1,0,0]=3 639 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|1,0,0]=3 640 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|0,0,0]=2 641 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [2,0,0,0,0,0|1,0,0]=3 642 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [2,0,0,0,0,0|2,0,0]=4 643 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [2,0,0,0,0,0|2,0,0]=4 644 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [2,0,0,0,0,0|1,0,0]=3 645 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [2,0,0,0,0,0|2,0,0]=4 646 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [2,0,0,0,0,0|2,0,0]=4 647 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [1,1,0,0,0,0|0,0,2]=4 648 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [1,1,0,0,0,0|0,0,2]=4 649 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [1,1,0,0,0,0|0,0,2]=4 650 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [1,1,0,0,0,0|0,0,2]=4 651 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [1,1,0,0,0,0|0,0,2]=4 652 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [1,1,0,0,0,0|2,0,0]=4 654 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [1,1,0,0,0,0|2,0,0]=4 655 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [1,1,0,0,0,0|1,0,1]=4 656 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [1,1,0,0,0,0|1,0,0]=3 658 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [1,1,0,0,0,0|1,0,0]=3 659 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [1,1,0,0,0,0|1,0,1]=4 660 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [1,1,0,0,0,0|1,0,0]=3 661 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [1,1,0,0,0,0|1,0,1]=4 662 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [1,1,0,0,0,0|1,0,0]=3 663 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [1,1,0,0,0,0|0,0,0]=2 664 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [1,1,0,0,0,0|2,0,0]=4 665 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [1,1,0,0,0,0|2,0,0]=4 666 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [1,1,0,0,0,0|2,0,0]=4 667 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [1,1,0,0,0,0|1,0,1]=4 669 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [1,1,0,0,0,0|1,0,0]=3 670 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [1,1,0,0,0,0|0,0,0]=2 671 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [1,1,0,0,0,0|1,0,1]=4 672 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [1,1,0,0,0,0|1,0,0]=3 673 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [1,1,0,0,0,0|0,0,0]=2 674 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [1,1,0,0,0,0|0,0,2]=4 675 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [1,1,0,0,0,0|0,0,2]=4 676 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [1,1,0,0,0,0|0,0,2]=4 677 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [1,1,0,0,0,0|0,0,2]=4 678 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [1,1,0,0,0,0|0,0,2]=4 679 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [1,1,0,0,0,0|1,0,1]=4 680 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [1,1,0,0,0,0|1,0,1]=4 681 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [1,1,0,0,0,0|1,0,1]=4 682 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [1,1,0,0,0,0|0,0,1]=3 683 B7R0.3 C#CCOC(C)CF 221cd713b73297c7e5f97bde204915de [1,1,0,0,0,0|1,0,1]=4 684 B7R0.3 C#CCOC(C)CS 7e7645935526fd9fe5b548e99a949915 [1,1,0,0,0,0|1,0,1]=4 685 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [1,1,0,0,0,0|0,0,1]=3 686 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [1,1,0,0,0,0|0,0,1]=3 687 B7R0.3 C#CCO[C@H](C)CS ab6f4be9fefb8635e941439c0052c852 [1,1,0,0,0,0|1,0,1]=4 688 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [1,1,0,0,0,0|0,0,2]=4 689 B7R0.3 C#C[C@@H](C)OCCF 3310abc989f1679a61ca80b2a539306c [1,1,0,0,0,0|0,0,2]=4 690 B7R0.3 C#C[C@@H](C)OCCS 4e04a11dc65e84e3c6145d59508cdb0d [1,1,0,0,0,0|0,0,2]=4 691 B7R0.3 C#C[C@@H](C)OCOC b5f2510f611fba5c0b90597284089504 [1,1,0,0,0,0|0,0,2]=4 692 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [1,1,0,0,0,0|0,0,2]=4 693 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [1,1,0,0,0,0|0,0,2]=4 694 B7R0.3 C#C[C@H](C)OCCF 16f3c962063cbc9a1612a19a77fc207b [1,1,0,0,0,0|0,0,2]=4 695 B7R0.3 C#C[C@H](C)OCCS 42ab997997a9001ee9da9446c6900cb0 [1,1,0,0,0,0|0,0,2]=4 696 B7R0.3 C#C[C@H](C)OCOC 7a874ba6eb8c315241b513f50f519c90 [1,1,0,0,0,0|0,0,2]=4 697 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [1,1,0,0,0,0|0,0,2]=4 698 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [1,1,0,0,0,0|0,0,2]=4 699 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,1,0,0,0,0|0,0,2]=4 700 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [1,1,0,0,0,0|0,0,2]=4 701 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [1,1,0,0,0,0|0,0,2]=4 702 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [1,1,0,0,0,0|0,0,2]=4 703 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [1,1,0,0,0,0|0,0,2]=4 704 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [1,1,0,0,0,0|1,0,1]=4 705 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [1,1,0,0,0,0|1,0,1]=4 706 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [1,1,0,0,0,0|1,0,1]=4 707 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [1,1,0,0,0,0|0,0,1]=3 708 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [1,1,0,0,0,0|1,0,1]=4 709 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [1,1,0,0,0,0|1,0,1]=4 710 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [1,1,0,0,0,0|0,0,1]=3 711 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [1,1,0,0,0,0|0,0,1]=3 712 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [1,1,0,0,0,0|1,0,1]=4 713 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,1,0,0,0,0|0,0,2]=4 714 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [1,1,0,0,0,0|0,0,2]=4 715 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [1,1,0,0,0,0|0,0,2]=4 716 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [1,1,0,0,0,0|0,0,2]=4 717 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [1,1,0,0,0,0|0,0,2]=4 718 B7R0.3 CC(C#N)OCCS 54ef71d430fa96d7cb92c30410fb9da9 [1,1,0,0,0,0|1,0,1]=4 719 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [1,1,0,0,0,0|1,0,1]=4 720 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [1,1,0,0,0,0|1,0,1]=4 721 B7R0.3 CC(CF)OCC#N 6cc0a505593a119a3106139b239e6163 [1,1,0,0,0,0|1,0,1]=4 722 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [1,1,0,0,0,0|1,0,1]=4 723 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [1,1,0,0,0,0|1,0,0]=3 724 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [1,1,0,0,0,0|1,0,0]=3 725 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [1,1,0,0,0,0|2,0,0]=4 726 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [1,1,0,0,0,0|2,0,0]=4 730 B7R0.3 CC(CS)OCC#N 676888cdcec921bfd46a956f5c3d5131 [1,1,0,0,0,0|1,0,1]=4 731 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [1,1,0,0,0,0|1,0,1]=4 732 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [1,1,0,0,0,0|1,0,0]=3 733 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [1,1,0,0,0,0|1,0,0]=3 734 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [1,1,0,0,0,0|2,0,0]=4 735 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [1,1,0,0,0,0|2,0,0]=4 736 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [1,1,0,0,0,0|1,0,0]=3 737 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [1,1,0,0,0,0|1,0,1]=4 738 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [1,1,0,0,0,0|1,0,1]=4 739 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [1,1,0,0,0,0|1,0,0]=3 740 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [1,1,0,0,0,0|1,0,0]=3 741 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [1,1,0,0,0,0|1,0,0]=3 742 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [1,1,0,0,0,0|1,0,0]=3 743 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [1,1,0,0,0,0|1,0,0]=3 744 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [1,1,0,0,0,0|1,0,0]=3 745 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [1,1,0,0,0,0|1,0,0]=3 746 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [1,1,0,0,0,0|0,0,1]=3 747 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [1,1,0,0,0,0|0,0,1]=3 748 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [1,1,0,0,0,0|0,0,0]=2 749 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [1,1,0,0,0,0|0,0,0]=2 750 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [1,1,0,0,0,0|0,0,0]=2 751 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [1,1,0,0,0,0|0,0,0]=2 752 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [1,1,0,0,0,0|2,0,0]=4 753 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [1,1,0,0,0,0|1,0,0]=3 754 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [1,1,0,0,0,0|2,0,0]=4 755 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [1,1,0,0,0,0|1,0,0]=3 756 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [1,1,0,0,0,0|2,0,0]=4 757 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [1,1,0,0,0,0|1,0,0]=3 758 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [1,1,0,0,0,0|2,0,0]=4 759 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [1,1,0,0,0,0|1,0,1]=4 760 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,1,0,0,0,0|1,0,1]=4 761 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|0,0,0]=2 762 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [1,1,0,0,0,0|1,0,0]=3 763 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [1,1,0,0,0,0|1,0,0]=3 764 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|0,0,0]=2 765 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,1,0,0,0,0|1,0,1]=4 766 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|0,0,0]=2 767 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [1,1,0,0,0,0|1,0,0]=3 768 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [1,1,0,0,0,0|2,0,0]=4 769 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [1,1,0,0,0,0|2,0,0]=4 770 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [1,1,0,0,0,0|2,0,0]=4 771 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [1,1,0,0,0,0|2,0,0]=4 772 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [1,1,0,0,0,0|2,0,0]=4 773 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [1,1,0,0,0,0|1,0,0]=3 774 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [1,1,0,0,0,0|2,0,0]=4 775 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [1,1,0,0,0,0|2,0,0]=4 776 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [1,1,0,0,0,0|1,0,0]=3 777 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [1,1,0,0,0,0|1,0,0]=3 778 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [1,1,0,0,0,0|2,0,0]=4 779 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [1,1,0,0,0,0|1,0,0]=3 780 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [1,1,0,0,0,0|2,0,0]=4 781 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|1,0,1]=4 782 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,1]=4 783 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [1,1,0,0,0,0|2,0,0]=4 784 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [1,1,0,0,0,0|1,0,1]=4 785 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|0,0,0]=2 786 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [1,1,0,0,0,0|0,0,0]=2 787 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [1,1,0,0,0,0|2,0,0]=4 788 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [1,1,0,0,0,0|2,0,0]=4 789 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [1,1,0,0,0,0|1,0,0]=3 790 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|0,0,0]=2 791 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [1,1,0,0,0,0|0,0,0]=2 792 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|0,0,0]=2 793 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [1,1,0,0,0,0|0,0,0]=2 794 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [1,1,0,0,0,0|1,0,0]=3 795 B7R0.3 CC[C@@H](C)NCC#N 349bbcd477486d683d830b5721177924 [1,1,0,0,0,0|1,0,1]=4 796 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [1,1,0,0,0,0|1,0,1]=4 797 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [1,1,0,0,0,0|1,0,0]=3 798 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [1,1,0,0,0,0|1,0,0]=3 799 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [1,1,0,0,0,0|1,0,0]=3 800 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [1,1,0,0,0,0|1,0,0]=3 801 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [1,1,0,0,0,0|1,0,0]=3 802 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [1,1,0,0,0,0|0,0,1]=3 803 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [1,1,0,0,0,0|0,0,1]=3 804 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [1,1,0,0,0,0|0,0,0]=2 805 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [1,1,0,0,0,0|0,0,0]=2 806 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [1,1,0,0,0,0|0,0,0]=2 807 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [1,1,0,0,0,0|0,0,0]=2 808 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [1,1,0,0,0,0|2,0,0]=4 809 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [1,1,0,0,0,0|2,0,0]=4 810 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [1,1,0,0,0,0|1,0,0]=3 811 B7R0.3 CC[C@H](C)NCC#N 79fe87b82bd2f5a7dcac84c0d29fce58 [1,1,0,0,0,0|1,0,1]=4 812 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [1,1,0,0,0,0|1,0,1]=4 813 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [1,1,0,0,0,0|1,0,0]=3 814 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [1,1,0,0,0,0|1,0,0]=3 815 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [1,1,0,0,0,0|1,0,0]=3 816 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [1,1,0,0,0,0|1,0,0]=3 817 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [1,1,0,0,0,0|1,0,0]=3 818 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [1,1,0,0,0,0|0,0,1]=3 819 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [1,1,0,0,0,0|0,0,1]=3 820 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [1,1,0,0,0,0|0,0,0]=2 821 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [1,1,0,0,0,0|0,0,0]=2 822 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [1,1,0,0,0,0|0,0,0]=2 823 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [1,1,0,0,0,0|0,0,0]=2 824 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [1,1,0,0,0,0|1,0,0]=3 825 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [1,1,0,0,0,0|2,0,0]=4 826 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [1,1,0,0,0,0|2,0,0]=4 827 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [1,1,0,0,0,0|2,0,0]=4 828 B7R0.3 COCOC(C)C#N 85e904d8cb0c25f94e972581402e1470 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [1,1,0,0,0,0|1,0,1]=4 830 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [1,1,0,0,0,0|1,0,0]=3 831 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [1,1,0,0,0,0|2,0,0]=4 833 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [1,1,0,0,0,0|2,0,0]=4 834 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [1,1,0,0,0,0|1,0,0]=3 835 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [1,1,0,0,0,0|2,0,0]=4 836 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [1,1,0,0,0,0|2,0,0]=4 837 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [1,1,0,0,0,0|1,0,0]=3 838 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [1,1,0,0,0,0|2,0,0]=4 839 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [1,1,0,0,0,0|2,0,0]=4 840 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [1,1,0,0,0,0|2,0,0]=4 841 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [1,1,0,0,0,0|1,0,1]=4 842 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [1,1,0,0,0,0|1,0,0]=3 843 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [1,1,0,0,0,0|1,0,0]=3 844 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [1,1,0,0,0,0|1,0,0]=3 845 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [1,1,0,0,0,0|2,0,0]=4 846 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [1,1,0,0,0,0|2,0,0]=4 847 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [1,1,0,0,0,0|2,0,0]=4 848 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [1,1,0,0,0,0|2,0,0]=4 849 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [1,1,0,0,0,0|2,0,0]=4 850 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [1,1,0,0,0,0|1,0,1]=4 851 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [1,1,0,0,0,0|1,0,1]=4 852 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [1,1,0,0,0,0|2,0,0]=4 853 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [1,1,0,0,0,0|2,0,0]=4 854 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [1,1,0,0,0,0|2,0,0]=4 855 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [1,1,0,0,0,0|2,0,0]=4 856 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [1,1,0,0,0,0|2,0,0]=4 857 B7R0.3 C[C@H](CS)OCC#N 8dcfe103d095e6274fbc4d899e558965 [1,1,0,0,0,0|1,0,1]=4 858 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [1,1,0,0,0,0|1,0,1]=4 859 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [1,1,0,0,0,0|1,0,0]=3 860 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [1,1,0,0,0,0|1,0,0]=3 861 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [1,1,0,0,0,0|1,0,1]=4 862 B7R0.5 CC(C)C(C)NCF 643136cdaccdc2c2feaceaf8387098cb [1,1,0,0,0,0|2,0,0]=4 863 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [1,1,0,0,0,0|2,0,0]=4 864 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [1,1,0,0,0,0|1,0,0]=3 865 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [1,1,0,0,0,0|2,0,0]=4 867 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [1,1,0,0,0,0|1,0,0]=3 868 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [1,1,0,0,0,0|2,0,0]=4 869 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [1,1,0,0,0,0|2,0,0]=4 870 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [1,1,0,0,0,0|1,0,0]=3 871 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [1,1,0,0,0,0|2,0,0]=4 872 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [1,1,0,0,0,0|2,0,0]=4 873 B7R0.5 CC(OCF)C(F)F 16365069207606d0fbef2881afd73236 [1,1,0,0,0,0|2,0,0]=4 874 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [1,1,0,0,0,0|1,0,0]=3 875 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [1,1,0,0,0,0|2,0,0]=4 876 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [1,1,0,0,0,0|1,0,0]=3 877 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [1,1,0,0,0,0|1,0,0]=3 878 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [1,1,0,0,0,0|1,0,0]=3 879 B7R0.5 CCN[C@@H](C)C(F)F f76fde6ed819e493c6854180a8253124 [1,1,0,0,0,0|2,0,0]=4 880 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [1,1,0,0,0,0|1,0,0]=3 881 B7R0.5 CCN[C@H](C)C(F)F 9d31d6515dd78ca74d9458514fa1e8c8 [1,1,0,0,0,0|2,0,0]=4 882 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [1,1,0,0,0,0|0,0,1]=3 883 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [1,1,0,0,0,0|1,0,1]=4 884 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,1,0,0,0,0|1,0,1]=4 885 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [1,1,0,0,0,0|0,0,0]=2 886 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [1,1,0,0,0,0|0,0,0]=2 887 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [1,1,0,0,0,0|1,0,0]=3 888 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [1,1,0,0,0,0|1,0,1]=4 889 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,1,0,0,0,0|1,0,1]=4 890 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [1,1,0,0,0,0|0,0,0]=2 891 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [1,1,0,0,0,0|1,0,1]=4 892 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,1,0,0,0,0|1,0,1]=4 893 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [1,1,0,0,0,0|0,0,0]=2 894 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,1,0,0,0,0|2,0,0]=4 895 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [1,1,0,0,0,0|1,0,0]=3 896 B7R0.10 CCC(C)N(C)CF d256e2823039dc8016c48630c6e9d811 [1,1,0,0,0,0|2,0,0]=4 897 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [1,1,0,0,0,0|2,0,0]=4 898 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [1,1,0,0,0,0|2,0,0]=4 899 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [1,1,0,0,0,0|2,0,0]=4 900 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [1,1,0,0,0,0|2,0,0]=4 901 B7R0.11 CCC(C)(C)NCF 43464e32d81406c57eda8518b346c632 [1,1,0,0,0,0|2,0,0]=4 902 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [1,1,0,0,0,0|2,0,0]=4 903 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [1,1,0,0,0,0|1,0,0]=3 904 B7R0.11 CCNC(C)(C)CF bb534d52eb5abb944f47ed497fecbe74 [1,1,0,0,0,0|2,0,0]=4 905 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [1,1,0,0,0,0|2,0,0]=4 906 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [1,1,0,0,0,0|0,0,1]=3 907 B7R0.12 C#CC(CC)OCF 8bef453312f7ac6f09d4b91d036d83cb [1,1,0,0,0,0|1,0,1]=4 908 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [1,1,0,0,0,0|0,0,1]=3 909 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [1,1,0,0,0,0|1,0,1]=4 910 B7R0.12 CCC(C#N)OCF c9ae646c0f0951391fec3ccfa891e7b4 [1,1,0,0,0,0|1,0,1]=4 911 B7R0.12 CCC(CC)NCF 3d9bfd0de6efff0c7eb71abdfe1f3338 [1,1,0,0,0,0|2,0,0]=4 912 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [1,1,0,0,0,0|2,0,0]=4 913 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [1,1,0,0,0,0|1,0,0]=3 914 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [1,1,0,0,0,0|2,0,0]=4 915 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [1,1,0,0,0,0|2,0,0]=4 916 B7R0.12 CCCN(CC)CC cee9a7f56e1e423b5ee592f89dcd5a79 [1,1,0,0,0,0|2,0,0]=4 917 B7R0.12 CCCN(CC)CF bb959a7f19e3a674eec89c0630b059f9 [1,1,0,0,0,0|2,0,0]=4 918 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [1,1,0,0,0,0|2,0,0]=4 919 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [1,1,0,0,0,0|1,0,0]=3 920 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [1,1,0,0,0,0|1,0,0]=3 921 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [1,1,0,0,0,0|2,0,0]=4 922 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [1,1,0,0,0,0|1,0,0]=3 923 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [1,1,0,0,0,0|1,0,0]=3 924 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [1,1,0,0,0,0|0,0,1]=3 925 B7R0.12 CCOC(CBr)CBr d03e7afda2ca8d59d0335adb3716d943 [1,1,0,0,0,0|1,0,0]=3 926 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [1,1,0,0,0,0|0,0,0]=2 927 B7R0.12 CCOC(CCl)CBr 76ba5a657a7ea572d523f589d344dc39 [1,1,0,0,0,0|1,0,0]=3 928 B7R0.12 CCOC(CCl)CCl ce294a182f4713785d493074caf459e2 [1,1,0,0,0,0|1,0,0]=3 929 B7R0.12 CCOC(CF)CF ce94a3a5b0a102e0773db6b18934a605 [1,1,0,0,0,0|1,0,0]=3 930 B7R0.12 CCO[C@@H](CCl)CI 960e9d223c1c4a6537b1692e0aa03922 [1,1,0,0,0,0|1,0,0]=3 931 B7R0.12 CCO[C@H](CCl)CI eaef576ad3d7bec19924ce3c27aa4ce5 [1,1,0,0,0,0|1,0,0]=3 932 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [1,1,0,0,0,0|2,0,0]=4 933 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [1,1,0,0,0,0|2,0,0]=4 934 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [1,1,0,0,0,0|2,0,0]=4 935 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [1,1,0,0,0,0|2,0,0]=4 936 B7R0.12 FCOC(CBr)CBr 760611b5804515a02db886829643f317 [1,1,0,0,0,0|2,0,0]=4 937 B7R0.12 FCOC(CCl)CBr 72519e805199b04a3a2f9222669bc455 [1,1,0,0,0,0|2,0,0]=4 938 B7R0.12 FCOC(CCl)CCl 118ddee96acf874a0a1fb0d0ff930d02 [1,1,0,0,0,0|2,0,0]=4 939 B7R0.12 FCOC(CF)CF 705408821521684268dfce4a5f529fde [1,1,0,0,0,0|2,0,0]=4 940 B7R0.12 FCO[C@@H](CCl)CI 311aefa9fd8da5acbb1bd157cd237075 [1,1,0,0,0,0|2,0,0]=4 941 B7R0.12 FCO[C@H](CCl)CI cd5a66f48a11f01a3a244c8c713b4bbc [1,1,0,0,0,0|2,0,0]=4 942 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [1,1,0,0,0,0|1,0,1]=4 943 B7R0.1 C#CCNCOCC 791a5055b6dadf02042aec9a3a94990f [1,1,0,0,0,0|1,0,1]=4 944 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [1,1,0,0,0,0|1,0,1]=4 945 B7R0.1 C#CCOCOCC da2cc8333c6c199f28500fd01c717240 [1,1,0,0,0,0|0,0,1]=3 946 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [1,1,0,0,0,0|1,0,1]=4 947 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [1,1,0,0,0,0|1,0,1]=4 948 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [1,1,0,0,0,0|1,0,1]=4 949 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [1,1,0,0,0,0|1,0,1]=4 950 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [1,1,0,0,0,0|1,0,1]=4 951 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [1,1,0,0,0,0|1,0,1]=4 952 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [1,1,0,0,0,0|1,0,1]=4 953 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [1,1,0,0,0,0|1,0,1]=4 954 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [1,1,0,0,0,0|1,0,1]=4 955 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [1,1,0,0,0,0|1,0,1]=4 956 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [1,1,0,0,0,0|1,0,1]=4 957 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [1,1,0,0,0,0|1,0,1]=4 958 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [1,1,0,0,0,0|1,0,1]=4 959 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [1,1,0,0,0,0|0,0,2]=4 960 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [1,1,0,0,0,0|1,0,1]=4 961 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [1,1,0,0,0,0|1,0,1]=4 962 B7R0.1 CC#CCOCCF 740691fb43c87d7c36d122faabbd0af1 [1,1,0,0,0,0|1,0,1]=4 963 B7R0.1 CC#CCOCCS d741f417902af4e709d92de885608290 [1,1,0,0,0,0|1,0,1]=4 964 B7R0.1 CC#CCOCOC fdc903f30b2a7cefcf2b0a9cb74d111f [1,1,0,0,0,0|1,0,1]=4 965 B7R0.1 CC#CCOCSC d5aba0e06945bb4c7f9509ebe9e36870 [1,1,0,0,0,0|1,0,1]=4 966 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [1,1,0,0,0,0|1,0,0]=3 967 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [1,1,0,0,0,0|2,0,0]=4 968 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [1,1,0,0,0,0|1,0,0]=3 969 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [1,1,0,0,0,0|2,0,0]=4 970 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [1,1,0,0,0,0|1,0,1]=4 971 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [1,1,0,0,0,0|1,0,1]=4 972 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [1,1,0,0,0,0|1,0,1]=4 973 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [1,1,0,0,0,0|1,0,1]=4 974 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [1,1,0,0,0,0|1,0,1]=4 975 B7R0.1 CCC#CCOCC 2380cee045d437f419c16dee1b838b64 [1,1,0,0,0,0|1,0,0]=3 976 B7R0.1 CCC#CCOCF 6df71f2cb6d7ef4d5014d348e265b820 [1,1,0,0,0,0|2,0,0]=4 977 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [1,1,0,0,0,0|2,0,0]=4 978 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,1,0,0,0,0|1,0,0]=3 979 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [1,1,0,0,0,0|2,0,0]=4 980 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [1,1,0,0,0,0|2,0,0]=4 981 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [1,1,0,0,0,0|2,0,0]=4 982 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [1,1,0,0,0,0|2,0,0]=4 983 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [1,1,0,0,0,0|2,0,0]=4 984 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [1,1,0,0,0,0|2,0,0]=4 985 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [1,1,0,0,0,0|2,0,0]=4 986 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [1,1,0,0,0,0|2,0,0]=4 987 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [1,1,0,0,0,0|2,0,0]=4 988 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [1,1,0,0,0,0|1,0,1]=4 989 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [1,1,0,0,0,0|1,0,0]=3 991 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [1,1,0,0,0,0|1,0,0]=3 992 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [1,1,0,0,0,0|1,0,0]=3 993 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [1,1,0,0,0,0|1,0,0]=3 994 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [1,1,0,0,0,0|1,0,0]=3 995 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [1,1,0,0,0,0|1,0,0]=3 996 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [1,1,0,0,0,0|2,0,0]=4 997 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [1,1,0,0,0,0|2,0,0]=4 998 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [1,1,0,0,0,0|2,0,0]=4 999 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [1,1,0,0,0,0|2,0,0]=4 1000 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [1,1,0,0,0,0|0,0,0]=2 1001 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [1,1,0,0,0,0|2,0,0]=4 1002 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [1,1,0,0,0,0|2,0,0]=4 1003 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [1,1,0,0,0,0|2,0,0]=4 1004 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [1,1,0,0,0,0|2,0,0]=4 1005 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [1,1,0,0,0,0|2,0,0]=4 1006 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [1,1,0,0,0,0|1,0,0]=3 1007 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [1,1,0,0,0,0|1,1,0]=4 1008 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [1,1,0,0,0,0|1,0,1]=4 1009 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [1,1,0,0,0,0|1,0,1]=4 1010 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [1,1,0,0,0,0|1,0,0]=3 1011 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [1,1,0,0,0,0|1,0,0]=3 1012 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [1,1,0,0,0,0|1,0,0]=3 1013 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [1,1,0,0,0,0|1,0,0]=3 1014 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [1,1,0,0,0,0|2,0,0]=4 1015 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [1,1,0,0,0,0|2,0,0]=4 1016 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [1,1,0,0,0,0|1,0,1]=4 1017 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [1,1,0,0,0,0|0,0,0]=2 1018 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [1,1,0,0,0,0|1,0,0]=3 1019 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [1,1,0,0,0,0|0,1,0]=3 1020 B7R0.1 CCOCNCC#N 9018c9c6715e14ea9bdce32253585916 [1,1,0,0,0,0|1,0,1]=4 1021 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [1,1,0,0,0,0|1,0,0]=3 1022 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [1,1,0,0,0,0|1,0,0]=3 1023 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [1,1,0,0,0,0|1,0,0]=3 1024 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [1,1,0,0,0,0|1,0,0]=3 1025 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [1,1,0,0,0,0|1,0,0]=3 1026 B7R0.1 CCOCOCC#N 4fd83c3b911d632bd32bce6b5617b133 [1,1,0,0,0,0|0,0,1]=3 1027 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [1,1,0,0,0,0|0,0,0]=2 1028 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [1,1,0,0,0,0|0,0,0]=2 1029 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [1,1,0,0,0,0|1,1,0]=4 1030 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [1,1,0,0,0,0|2,0,0]=4 1031 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [1,1,0,0,0,0|2,0,0]=4 1032 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [1,1,0,0,0,0|2,0,0]=4 1033 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [1,1,0,0,0,0|2,0,0]=4 1034 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [1,1,0,0,0,0|2,0,0]=4 1035 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [1,1,0,0,0,0|2,0,0]=4 1036 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [1,1,0,0,0,0|2,0,0]=4 1037 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [1,1,0,0,0,0|2,0,0]=4 1038 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [1,1,0,0,0,0|2,0,0]=4 1039 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [1,1,0,0,0,0|2,0,0]=4 1040 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [1,1,0,0,0,0|2,0,0]=4 1041 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [1,1,0,0,0,0|2,0,0]=4 1042 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [1,1,0,0,0,0|2,0,0]=4 1043 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [1,1,0,0,0,0|2,0,0]=4 1044 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [1,1,0,0,0,0|2,0,0]=4 1045 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [1,1,0,0,0,0|2,0,0]=4 1046 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [1,1,0,0,0,0|2,0,0]=4 1049 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [1,1,0,0,0,0|1,0,1]=4 1051 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [1,1,0,0,0,0|1,0,1]=4 1052 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.4 CC#CCOC(C)C 6e8db9745cabe9183b9bff9444d41366 [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [1,1,0,0,0,0|2,0,0]=4 1055 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [1,1,0,0,0,0|2,0,0]=4 1056 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [1,1,0,0,0,0|2,0,0]=4 1057 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [1,1,0,0,0,0|2,0,0]=4 1059 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,1,0,0,0,0|1,0,0]=3 1060 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [1,1,0,0,0,0|2,0,0]=4 1061 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,1,0,0,0,0|2,0,0]=4 1062 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,1,0,0,0,0|2,0,0]=4 1063 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,1,0,0,0,0|2,0,0]=4 1064 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [1,1,0,0,0,0|1,0,1]=4 1066 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [1,1,0,0,0,0|1,0,1]=4 1067 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [1,1,0,0,0,0|1,0,1]=4 1068 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|1,0,0]=3 1070 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [1,1,0,0,0,0|2,0,0]=4 1071 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [1,1,0,0,0,0|2,0,0]=4 1072 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|2,0,0]=4 1073 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|1,0,1]=4 1074 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [1,1,0,0,0,0|0,0,0]=2 1075 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [1,1,0,0,0,0|2,0,0]=4 1076 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [1,1,0,0,0,0|2,0,0]=4 1077 B9R0.4 C#CCOC(C)CC(C)C 22c7900709e5627db136e1fbbbc90fe2 [0,2,0,0,0,0|1,0,1]=4 1078 B9R0.4 C#CCOC(C)OC(=O)C dfc165db424706a3db7f61d2c970f444 [0,2,0,0,0,0|0,0,2]=4 1079 B9R0.4 C#CCO[C@@H](C)CC(C)C 62f21deb29a53f4d2d49023daa75d69d [0,2,0,0,0,0|1,0,1]=4 1080 B9R0.4 C#CCO[C@H](C)CC(C)C 09f6c31393b59f73a08a7dc6a53dca07 [0,2,0,0,0,0|1,0,1]=4 1081 B9R0.4 C=CCCC(C)OC(C)C 79916ed4f09ee854093d48b4590678c5 [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.4 C=CCC[C@@H](C)OC(C)C cedb878ff04806ab16e3c7839de7b39e [0,2,0,0,0,0|1,0,1]=4 1083 B9R0.4 C=CCOC(C)CC(C)C 6172fc7bebb88cfe7191de7dabc82710 [0,2,0,0,0,0|1,0,1]=4 1084 B9R0.4 C=CCO[C@@H](C)CC(C)C cb591aeccfc1c7ee2eecb9d61dfdb956 [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.4 C=CCO[C@H](C)CC(C)C 66e79c01c2faecc260e2fb8690a313cb [0,2,0,0,0,0|1,0,1]=4 1086 B9R0.4 CC(=O)OC(C)NCCBr 3f1c204a59be950e15bd4feaa3675001 [0,2,0,0,0,0|1,0,1]=4 1087 B9R0.4 CC(=O)OC(C)NCCF 228736a205797ea15b61fd8e68b87e67 [0,2,0,0,0,0|1,0,1]=4 1088 B9R0.4 CC(=O)OC(C)NCCI c286c8d763aee4f3868d0f17a0d94c3b [0,2,0,0,0,0|1,0,1]=4 1089 B9R0.4 CC(=O)OC(C)NCCO ac5b0ecf8a083e3beb0c0204a7207851 [0,2,0,0,0,0|1,0,1]=4 1090 B9R0.4 CC(=O)OC(C)NCCS 7d5c0fa70919a52ddfecf5135d6ca3d7 [0,2,0,0,0,0|1,0,1]=4 1091 B9R0.4 CC(=O)OC(C)OCC#N 200e527cf54b8bc30c4d4641a9a014f6 [0,2,0,0,0,0|0,0,2]=4 1092 B9R0.4 CC(=O)OC(C)OCCF da7affa6b14ff4a99be2b6049cc00c20 [0,2,0,0,0,0|0,0,1]=3 1093 B9R0.4 CC(=O)OC(C)OCCS 4f606964d17daf8060dfd0795b3ba543 [0,2,0,0,0,0|0,0,1]=3 1094 B9R0.4 CC(C)CC(C)COCF 247f7129247fde50a33a1ac967893fda [0,2,0,0,0,0|2,0,0]=4 1095 B9R0.4 CC(C)CC(C)NCCBr a5507d90c82b8ea96fd7dec52a3becb7 [0,2,0,0,0,0|2,0,0]=4 1096 B9R0.4 CC(C)CC(C)NCCF 4359404f7f93d4ef3a96b03dd3339dfe [0,2,0,0,0,0|2,0,0]=4 1097 B9R0.4 CC(C)CC(C)NCCI ffd3de19e701a31b18119932b3b77a03 [0,2,0,0,0,0|2,0,0]=4 1098 B9R0.4 CC(C)CC(C)NCCO 9ffb6d14d8980959383ebdbc75e3b4d2 [0,2,0,0,0,0|2,0,0]=4 1099 B9R0.4 CC(C)CC(C)NCCS 13cc0b3c21eb681899a6d2f62c598338 [0,2,0,0,0,0|2,0,0]=4 1100 B9R0.4 CC(C)CC(C)OCC#N 0ab64a150d92b446d2ad0b63afd76911 [0,2,0,0,0,0|1,0,1]=4 1101 B9R0.4 CC(C)CC(C)OCC=O e4313446b456bdf7fdca0b7a0d643086 [0,2,0,0,0,0|1,0,1]=4 1102 B9R0.4 CC(C)CC(C)OCCF f2f9f61abf708f81cdeaf41644195850 [0,2,0,0,0,0|1,0,0]=3 1103 B9R0.4 CC(C)CC(C)OCCS cf710b6e82e812d774c047980cb47c95 [0,2,0,0,0,0|1,0,0]=3 1104 B9R0.4 CC(C)C[C@@H](C)OCC#N 686e4e06e8a4c13c2d4194acf26f7673 [0,2,0,0,0,0|1,0,1]=4 1105 B9R0.4 CC(C)C[C@@H](C)OCC=O 86fba79e755fb79840211bcef0d1d91f [0,2,0,0,0,0|1,0,1]=4 1106 B9R0.4 CC(C)C[C@@H](C)OCCF 35cdf09b9ad3c0592741fffa834d03de [0,2,0,0,0,0|1,0,0]=3 1107 B9R0.4 CC(C)C[C@@H](C)OCCS b61b023ef92d949a8f76665631cf1f90 [0,2,0,0,0,0|1,0,0]=3 1108 B9R0.4 CC(C)C[C@H](C)OCC#N a9cb25efc1b58ac0cdcafdc45ecc001b [0,2,0,0,0,0|1,0,1]=4 1109 B9R0.4 CC(C)C[C@H](C)OCC=O 1eaa0d6f3cf9bdd58393fd612436cf93 [0,2,0,0,0,0|1,0,1]=4 1110 B9R0.4 CC(C)C[C@H](C)OCCF d2697d39a3063c12df7bf0278b77593f [0,2,0,0,0,0|1,0,0]=3 1111 B9R0.4 CC(C)C[C@H](C)OCCS 5038e9a6f781496305bc2b92d0fa4bab [0,2,0,0,0,0|1,0,0]=3 1112 B9R0.4 CC(C)NC(C)CCCO bf77497f2a8a40451cf54c9eafa8738e [0,2,0,0,0,0|2,0,0]=4 1113 B9R0.4 CC(C)N[C@H](C)CCCO e802784ad95e8e2a28860518878c3271 [0,2,0,0,0,0|2,0,0]=4 1114 B9R0.4 CC(C)OC(C)CCC#N 1fbf8e9efa419998924dd4bd63a0cf78 [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.4 CC(CN(C)C)OCCF 811c4b8dc6e73444a9507721ade0d9ef [0,2,0,0,0,0|2,0,0]=4 1116 B9R0.4 CC(CN(C)C)OCCS b3cef2cf4179af6594c8ff87994f64d5 [0,2,0,0,0,0|2,0,0]=4 1117 B9R0.4 CC(O)CC(C)NCCF ae36b5c5f983d998c13f44a1f9b50d3f [0,2,0,0,0,0|2,0,0]=4 1118 B9R0.4 CC(O)CC(C)NCCO 18fd7bbc2d56fe18813d36c3680a81ca [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.4 CC(O)CC(C)NCCS 1a6ee0ffaf1753805e716c45dc626efc [0,2,0,0,0,0|2,0,0]=4 1120 B9R0.4 CCC#CC(C)OC(C)C 0550dfba35686034e73fb83b9cc7340b [0,2,0,0,0,0|1,0,0]=3 1121 B9R0.4 CCCCC(C)NC(C)C 63e76d2dca2605ce16e43f266232dd72 [0,2,0,0,0,0|2,0,0]=4 1122 B9R0.4 CCCCC(C)OC(C)C 7d0041807bb32d7526544e4be63436cc [0,2,0,0,0,0|1,0,0]=3 1123 B9R0.4 CCCC[C@@H](C)NC(C)C 590ec056b872150dddde91960f43541e [0,2,0,0,0,0|2,0,0]=4 1124 B9R0.4 CCCC[C@@H](C)OC(C)C f2902ac7b36ddb0c2d5e60097d1384f3 [0,2,0,0,0,0|1,0,0]=3 1125 B9R0.4 CCCC[C@H](C)OC(C)C 8664abbc4990f641117154ef08ccd4ca [0,2,0,0,0,0|1,0,0]=3 1126 B9R0.4 CCCNC(C)CC(C)C 6828cf7d6952a8216a1be98eabd80117 [0,2,0,0,0,0|2,0,0]=4 1127 B9R0.4 CCCNC(C)CC(C)O 98aedfcb0c4404029eedc1338854ce8c [0,2,0,0,0,0|2,0,0]=4 1128 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [0,2,0,0,0,0|1,0,1]=4 1129 B9R0.4 CCCOC(C)CC(C)C 172ee567cc285579196312644f20b815 [0,2,0,0,0,0|1,0,0]=3 1130 B9R0.4 CCCOC(C)CN(C)C 2e150b0b6c10db886b16704e4eefb9dd [0,2,0,0,0,0|2,0,0]=4 1131 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,2,0,0,0,0|0,0,1]=3 1132 B9R0.4 CCCO[C@@H](C)CC(C)C f8368645746913c122f54b6b45a441ff [0,2,0,0,0,0|1,0,0]=3 1133 B9R0.4 CCCO[C@@H](C)CN(C)C 93609bf0dd70ec03b5192a43f441d1c3 [0,2,0,0,0,0|2,0,0]=4 1134 B9R0.4 CCCO[C@H](C)CC(C)C 0a6cb99dd4ff2b6d95f1e6af556aca74 [0,2,0,0,0,0|1,0,0]=3 1135 B9R0.4 CCCO[C@H](C)CN(C)C bbfa938b4ea317bdb482981410d5efc4 [0,2,0,0,0,0|2,0,0]=4 1136 B9R0.4 CCOCC(=O)OC(C)C a46f2e33e4c4b2ce3b4ebe5c5f8af7d8 [0,2,0,0,0,0|1,0,1]=4 1137 B9R0.4 CCOCC(C)CC(C)C f1e6c318919388e255fa90b83a186fe7 [0,2,0,0,0,0|1,0,0]=3 1138 B9R0.4 CCOCC(C)CN(C)C 12c81fd9e0f78b06f2a55f71d988b664 [0,2,0,0,0,0|2,0,0]=4 1139 B9R0.4 CCOCC(C)NC(=O)C 891e676bd6e096c9e78b579a4d42a446 [0,2,0,0,0,0|1,0,1]=4 1140 B9R0.4 CCOCC(C)OC(C)C 4175b85f8b44fb6562ad278f1ae43f33 [0,2,0,0,0,0|0,0,0]=2 1141 B9R0.4 CCOCN(C)CC(C)C b35974a316b387dfb8df0b655ffb7270 [0,2,0,0,0,0|2,0,0]=4 1142 B9R0.4 CCOCN(C)CC(C)O fb86ddd17e1342742d1721083b988d09 [0,2,0,0,0,0|2,0,0]=4 1143 B9R0.4 CCOCN(C)C[C@H](C)O 8fa880de729ab278f55206f8987aeff5 [0,2,0,0,0,0|2,0,0]=4 1144 B9R0.4 CCOC[C@@H](C)CN(C)C 40d83e17a9320b4092446cadf2a7fbe0 [0,2,0,0,0,0|2,0,0]=4 1145 B9R0.4 CCOC[C@@H](C)NC(=O)C 82a9a914977322c59ad71ebab295e094 [0,2,0,0,0,0|1,0,1]=4 1146 B9R0.4 CCOC[C@H](C)CN(C)C b90e44c664a56d9b525cdf1077355820 [0,2,0,0,0,0|2,0,0]=4 1147 B9R0.4 COCCC(C)OC(C)C f127563ed4a2008803515bc99625bf8f [0,2,0,0,0,0|1,0,0]=3 1148 B9R0.4 COCNC(C)CC(C)C 1a089e5d861749ffb51884dc9d041b18 [0,2,0,0,0,0|2,0,0]=4 1149 B9R0.4 COCNC(C)CC(C)O b72cc638063dacd99040bbb3ee8f0c35 [0,2,0,0,0,0|2,0,0]=4 1150 B9R0.4 COCOC(C)CC(C)C 9b6498a6da082c4c7492da1a20caa2ea [0,2,0,0,0,0|1,0,0]=3 1151 B9R0.4 COCOC(C)CN(C)C ed9b0ee3dcb8d04f957c95fd52ec7585 [0,2,0,0,0,0|2,0,0]=4 1152 B9R0.4 COCOC(C)OC(=O)C c73ebf630a8c2a58943bc42724d4d8d9 [0,2,0,0,0,0|0,0,1]=3 1153 B9R0.4 COCO[C@@H](C)CC(C)C 1088886d32c617c4cfb3494bb3be2b73 [0,2,0,0,0,0|1,0,0]=3 1154 B9R0.4 COCO[C@@H](C)CN(C)C a5e17650317dd129a592471d6d41b37c [0,2,0,0,0,0|2,0,0]=4 1155 B9R0.4 COCO[C@H](C)CC(C)C f429d264616cadbfefc32b1ea968d55d [0,2,0,0,0,0|1,0,0]=3 1156 B9R0.4 COCO[C@H](C)CN(C)C b7d2b9627e19d83a11cea68bcbd50b29 [0,2,0,0,0,0|2,0,0]=4 1157 B9R0.4 CSCCC(C)OC(C)C eaddea528e3549d504874d9a0e18465f [0,2,0,0,0,0|1,0,0]=3 1158 B9R0.4 CSCNC(C)CC(C)C 4c3f40e1ee0fc50fc85c987dbad5ec9e [0,2,0,0,0,0|2,0,0]=4 1159 B9R0.4 CSCNC(C)CC(C)O 2b66378552c5acc5c37c9b56a8e745d5 [0,2,0,0,0,0|2,0,0]=4 1160 B9R0.4 CSCOC(C)CC(C)C 70851217e2007512906574c16d2868f3 [0,2,0,0,0,0|1,0,0]=3 1161 B9R0.4 CSCOC(C)CN(C)C 4acdd5e8ceca9e8f91e8a73b1fd722c3 [0,2,0,0,0,0|2,0,0]=4 1162 B9R0.4 CSCO[C@@H](C)CC(C)C 7db7f2ef4a39ec1f9d885941b4e879f5 [0,2,0,0,0,0|1,0,0]=3 1163 B9R0.4 CSCO[C@@H](C)CN(C)C 3fccd2966793290b14d3765e49f76c06 [0,2,0,0,0,0|2,0,0]=4 1164 B9R0.4 CSCO[C@H](C)CC(C)C 9b293636854abd7f9ffc3f6cdf715cfd [0,2,0,0,0,0|1,0,0]=3 1165 B9R0.4 CSCO[C@H](C)CN(C)C 9a8889993da696d1b3e2a48a0f51febf [0,2,0,0,0,0|2,0,0]=4 1166 B9R0.4 C[C@@H](CN(C)C)OCCF dc07303339703716ebf8e8d5a4e7fa85 [0,2,0,0,0,0|2,0,0]=4 1167 B9R0.4 C[C@@H](CN(C)C)OCCS 278a89a7952754e8dff5e1659597b138 [0,2,0,0,0,0|2,0,0]=4 1168 B9R0.4 C[C@H](CN(C)C)OCCF db0c3021ff4dfc868b13f7da99d8c16c [0,2,0,0,0,0|2,0,0]=4 1169 B9R0.4 C[C@H](CN(C)C)OCCS c9d5d0d283053a54048cd0015118be94 [0,2,0,0,0,0|2,0,0]=4 1170 B9R0.5 C#CCCNC(C)CCC 534f07b4509e18b4adc49021b08bc342 [0,2,0,0,0,0|2,0,0]=4 1171 B9R0.5 C#CCCN[C@@H](C)CCC 959fbd21791a554bc2c26a56f1750d84 [0,2,0,0,0,0|2,0,0]=4 1172 B9R0.5 C#CCCOC(C)/C=C/C 9c7f826291483db71270142d1b732db5 [0,2,0,0,0,0|1,0,1]=4 1173 B9R0.5 C#CCCOC(C)C#CC 6af418f2c641d06ff02f6029f4a8a456 [0,2,0,0,0,0|1,0,1]=4 1174 B9R0.5 C#CCCOC(C)C=CC 557d8b0941139b198ca77ca25ef8786a [0,2,0,0,0,0|1,0,1]=4 1175 B9R0.5 C#CCCOC(C)CCC a70aa8722baf3a9125f9432a7960a0be [0,2,0,0,0,0|1,0,0]=3 1176 B9R0.5 C#CCCOC(C)COC 56b7ee0519dc2d73d692497820b6bc12 [0,2,0,0,0,0|2,0,0]=4 1177 B9R0.5 C#CCCOC(C)CSC 37bc5a575ab2af672505c4830b183a55 [0,2,0,0,0,0|2,0,0]=4 1178 B9R0.5 C#CCCO[C@@H](C)CCC 1889342444b5986ac23fd7d8905b8696 [0,2,0,0,0,0|1,0,0]=3 1179 B9R0.5 C#CCCO[C@@H](C)COC a7a73b906b96ad278d5968c1d8a01f5c [0,2,0,0,0,0|2,0,0]=4 1180 B9R0.5 C#CCCO[C@H](C)CCC 03af549e529e38edc0177e403db447af [0,2,0,0,0,0|1,0,0]=3 1181 B9R0.5 C#CCCO[C@H](C)COC 681694f00400a91987f7c5dad2a76baf [0,2,0,0,0,0|2,0,0]=4 1182 B9R0.5 C#CCNCC(C)OCC 9196a787e1463ad3b24aa84dd8d84dd5 [0,2,0,0,0,0|1,0,1]=4 1183 B9R0.5 C#CCOCC(C)CCC 0845bb71eb89f7cb8e63dbf816f3ca7b [0,2,0,0,0,0|1,0,1]=4 1184 B9R0.5 C#CCOCC(C)OCC c341a0bdb6c89e64aa84e6a459135766 [0,2,0,0,0,0|0,0,1]=3 1185 B9R0.5 C#CCOCC(C)OCF fab29525a1fab730527d7edc8527f753 [0,2,0,0,0,0|1,0,1]=4 1186 B9R0.5 C/C=C/C(C)OCCC#N 7c167a53a70e6143e06b0e4d56a1f2e3 [0,2,0,0,0,0|1,0,1]=4 1187 B9R0.5 C/C=C/C(C)OCCC=O 098e07306232c4b5e0a6a64a272f21a0 [0,2,0,0,0,0|1,0,1]=4 1188 B9R0.5 C/C=C/C(C)OCCCC fe4021be7eb9ddab5576a9db273dea52 [0,2,0,0,0,0|1,0,1]=4 1189 B9R0.5 C/C=C/C(C)OCCCF ac1b987741529c5bdd335e59b89f2d06 [0,2,0,0,0,0|1,0,1]=4 1190 B9R0.5 C/C=C/C(C)OCCCS 2b61f736d9519d73c9d40ab845db2d35 [0,2,0,0,0,0|1,0,1]=4 1191 B9R0.5 C/C=C/C(C)OCCOC 52a09a4f8db03e2677f4d95e1bb22a34 [0,2,0,0,0,0|1,0,1]=4 1192 B9R0.5 C/C=C/C(C)OCCSC d4976d82b99480bace2bc9c12b6552b0 [0,2,0,0,0,0|1,0,1]=4 1193 B9R0.5 C/C=C/C(C)OCOCC 99cb76be79ee3a1d90bc69d59b4bce92 [0,2,0,0,0,0|1,0,1]=4 1194 B9R0.5 C/C=C/CNC(C)CCC 01f7c6cc5f6295ae6124ee2ce9899c91 [0,2,0,0,0,0|2,0,0]=4 1195 B9R0.5 C/C=C/CN[C@@H](C)CCC 6f53a49de889963fad092f6ec12ed189 [0,2,0,0,0,0|2,0,0]=4 1196 B9R0.5 C/C=C/COC(C)/C=C/C 0003ef3b2a61bd1416b4e67b49230e5e [0,2,0,0,0,0|1,0,1]=4 1197 B9R0.5 C/C=C/COC(C)CCC a6e59ae28c0c34f6eedadaf099aafb27 [0,2,0,0,0,0|1,0,0]=3 1198 B9R0.5 C/C=C/COC(C)COC a8820994b1222a5bc0a4bb74d446a53f [0,2,0,0,0,0|2,0,0]=4 1199 B9R0.5 C/C=C/COC(C)CSC 7012b68560c63ae323884c18e92214a3 [0,2,0,0,0,0|2,0,0]=4 1200 B9R0.5 C/C=C/CO[C@@H](C)CCC b66297a329f1e1c26d05b6e0d0ac20df [0,2,0,0,0,0|1,0,0]=3 1201 B9R0.5 C/C=C/CO[C@@H](C)COC c8c78db8068f23625981f99e0c68aa6e [0,2,0,0,0,0|2,0,0]=4 1202 B9R0.5 C/C=C/CO[C@H](C)CCC 70aa5707c6d08668294aad6994e779dd [0,2,0,0,0,0|1,0,0]=3 1203 B9R0.5 C/C=C/CO[C@H](C)COC 53cbd2e9124d482478d708f03b5a3da0 [0,2,0,0,0,0|2,0,0]=4 1204 B9R0.5 C/C=C\CNC(C)CCC 87dca265018cfbf6dae368cc96104cca [0,2,0,0,0,0|2,0,0]=4 1205 B9R0.5 C/C=C\CN[C@@H](C)CCC 24d6ed4065cad5803ba6e9179a2874a2 [0,2,0,0,0,0|2,0,0]=4 1206 B9R0.5 C/C=C\COC(C)/C=C/C 3cc070ed79af1f57c3a60914e7cbaad0 [0,2,0,0,0,0|1,0,1]=4 1207 B9R0.5 C/C=C\COC(C)CCC 102d743543b548919f64c38591b0353c [0,2,0,0,0,0|1,0,0]=3 1208 B9R0.5 C/C=C\COC(C)COC 1b393c0a1af5ae660af7e5776941a727 [0,2,0,0,0,0|2,0,0]=4 1209 B9R0.5 C/C=C\COC(C)CSC 7922a6182d220ef8f69532ca87b45c28 [0,2,0,0,0,0|2,0,0]=4 1210 B9R0.5 C/C=C\CO[C@@H](C)CCC 15fdc9e2ab820da53fed20ee462f4ed6 [0,2,0,0,0,0|1,0,0]=3 1211 B9R0.5 C/C=C\CO[C@@H](C)COC 818b20b264e5205545bc9c1ae567341b [0,2,0,0,0,0|2,0,0]=4 1212 B9R0.5 C/C=C\CO[C@H](C)CCC ecef0772e98ee0244af99c76294d1d3d [0,2,0,0,0,0|1,0,0]=3 1213 B9R0.5 C/C=C\CO[C@H](C)COC aa41e620b0537ad3e4a15e3bee68570a [0,2,0,0,0,0|2,0,0]=4 1214 B9R0.5 C=CCCC[C@H](C)OCC 1a7f26f08a4aab831c049f86e95105db [0,2,0,0,0,0|1,0,0]=3 1215 B9R0.5 C=CCCC[C@H](C)OCF 386991cf0b156f81ae2a5038409941db [0,2,0,0,0,0|2,0,0]=4 1216 B9R0.5 C=CCCNC(C)CCC 3371aa09ea9d2447d2686676bccef260 [0,2,0,0,0,0|2,0,0]=4 1217 B9R0.5 C=CCCN[C@@H](C)CCC cffaa158bfffbde18d6888855f7065f2 [0,2,0,0,0,0|2,0,0]=4 1218 B9R0.5 C=CCCOC(C)/C=C/C 02e4ddc4eba3b638146ad0903945ed58 [0,2,0,0,0,0|1,0,1]=4 1219 B9R0.5 C=CCCOC(C)C#CC ecf42be704328034faf8f4164c258224 [0,2,0,0,0,0|1,0,1]=4 1220 B9R0.5 C=CCCOC(C)C=CC cad1133d4cbfdc1a268b4e6b04b9f5c3 [0,2,0,0,0,0|1,0,1]=4 1221 B9R0.5 C=CCCOC(C)CCC 3bc391c8caa568c3a41dda672f336f05 [0,2,0,0,0,0|1,0,0]=3 1222 B9R0.5 C=CCCOC(C)COC 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B9R0.5 CCC[C@H](C)NCCCO b55f9f9c5d2b5585fcebd32b6ae9676f [0,2,0,0,0,0|2,0,0]=4 1332 B9R0.5 CCC[C@H](C)NCCCS fc4b2888e6bd1af3fc673920439a6d19 [0,2,0,0,0,0|2,0,0]=4 1333 B9R0.5 CCC[C@H](C)NCCOC cf07519eec3d96fa560e863513eb20cb [0,2,0,0,0,0|2,0,0]=4 1334 B9R0.5 CCC[C@H](C)NCCSC b36f1d3a7cec566fb6c4090de96246ad [0,2,0,0,0,0|2,0,0]=4 1335 B9R0.5 CCC[C@H](C)NCOCC 4edd7e2bb5285d00694c164c618394c3 [0,2,0,0,0,0|1,0,0]=3 1336 B9R0.5 CCC[C@H](C)OC/C=C/Cl 268aae28e2e07dc1e0cbb1618cf82c12 [0,2,0,0,0,0|1,0,1]=4 1337 B9R0.5 CCC[C@H](C)OC/C=C\Cl 027fbf088883a2e69419ad8b219a4796 [0,2,0,0,0,0|1,0,1]=4 1338 B9R0.5 CCC[C@H](C)OCCC#N 16635591ace8d8f607160d1235639919 [0,2,0,0,0,0|1,0,0]=3 1339 B9R0.5 CCC[C@H](C)OCCC=O 5603414e98a7234f79a82c4a13052426 [0,2,0,0,0,0|1,0,0]=3 1340 B9R0.5 CCC[C@H](C)OCCCF 6c166b3b2e9a49f3214d1221aa05a7b9 [0,2,0,0,0,0|1,0,0]=3 1341 B9R0.5 CCC[C@H](C)OCCCS 185072ad1451feb386e475848ae0f455 [0,2,0,0,0,0|1,0,0]=3 1342 B9R0.5 CCC[C@H](C)OCCOC 35df3d9129885ef4f47846403feb0737 [0,2,0,0,0,0|1,0,0]=3 1343 B9R0.5 CCC[C@H](C)OCCSC 1b7c51f97c66b74c463df2639602e625 [0,2,0,0,0,0|1,0,0]=3 1344 B9R0.5 CCC[C@H](C)OCSC#N bb859bc25723238aa56d44a8e293bf5e [0,2,0,0,0,0|1,0,1]=4 1345 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [0,2,0,0,0,0|1,0,1]=4 1346 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [0,2,0,0,0,0|1,0,1]=4 1347 B9R0.5 CCOC(=O)COCOC cae80a72de3b9dd4c77bad68b601ad39 [0,2,0,0,0,0|1,0,1]=4 1348 B9R0.5 CCOC(=O)COCSC d1c9bb1a8c14847f19476af8bd4e260f [0,2,0,0,0,0|1,0,1]=4 1349 B9R0.5 CCOC(C)CNCC#N 28a831b10b75f5e0876a36398f733b4f [0,2,0,0,0,0|1,0,1]=4 1350 B9R0.5 CCOC(C)CNCC=O e8032f71289b0514416b8c99734f449c [0,2,0,0,0,0|1,0,1]=4 1351 B9R0.5 CCOC(C)CNCCF 870ea2d499981b253089779428d6d86a [0,2,0,0,0,0|1,0,0]=3 1352 B9R0.5 CCOC(C)CNCCO cd4f3682ea895747900fcd8122ea1a0d [0,2,0,0,0,0|1,0,0]=3 1353 B9R0.5 CCOC(C)CNCCS a604d759e01f5df57652ba792102d3aa [0,2,0,0,0,0|1,0,0]=3 1354 B9R0.5 CCOC(C)CNCOC d3038f7eb69024f8611a5f3895b12013 [0,2,0,0,0,0|1,0,0]=3 1355 B9R0.5 CCOC(C)CNCSC 78b9dee1b7512ba716dc08fb20c51df4 [0,2,0,0,0,0|1,0,0]=3 1356 B9R0.5 CCOC(C)COCC#N 410ae9ecf7aaf84ae3bf8ba06d3f51e4 [0,2,0,0,0,0|0,0,1]=3 1357 B9R0.5 CCOC(C)COCC=O 6735ed8d4a4675a4fe4153179dde31c8 [0,2,0,0,0,0|0,0,1]=3 1358 B9R0.5 CCOC(C)COCCF dd36371eacdbc99004d10c271349acd4 [0,2,0,0,0,0|0,0,0]=2 1359 B9R0.5 CCOC(C)COCCS c7c2bcc8f3e03e9f47223219f81c8b1f [0,2,0,0,0,0|0,0,0]=2 1360 B9R0.5 CCOC(C)COCOC 85153869453556ba60238e00dabccc4f [0,2,0,0,0,0|0,0,0]=2 1361 B9R0.5 CCOC(C)COCSC 5bca448d87a75d6304bc9a4f11e6dc4e [0,2,0,0,0,0|0,0,0]=2 1362 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [0,2,0,0,0,0|1,0,1]=4 1363 B9R0.5 CCOCNC(C)CCO ed76d68e4cc7932a3b62987eb87513f0 [0,2,0,0,0,0|2,0,0]=4 1364 B9R0.5 CCOCNC(C)COC 0d03179ebfb31ec50b84189d62b613f1 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.5 CCOCN[C@@H](C)CCO 47ffca4134ba353b1c37b620d698e11e [0,2,0,0,0,0|2,0,0]=4 1366 B9R0.5 CCOCN[C@@H](C)COC 6afc2c64e69005652e7a61f78527d052 [0,2,0,0,0,0|2,0,0]=4 1367 B9R0.5 CCOCN[C@H](C)CCO 054c0e5c7356fe7a28389eaf431e5fcf [0,2,0,0,0,0|2,0,0]=4 1368 B9R0.5 CCOCN[C@H](C)COC 4545617eb23cabd7253ac20a19461843 [0,2,0,0,0,0|2,0,0]=4 1369 B9R0.5 CCOCOC(C)CSC 5697b58cfdbfee491b4e7a18fbf4d3c5 [0,2,0,0,0,0|2,0,0]=4 1370 B9R0.5 COCC(C)COCCF b29d6ed60f5495ef170f17402f9000dd [0,2,0,0,0,0|2,0,0]=4 1371 B9R0.5 COCC(C)COCCS 6239a477e7e9e89b639a0e3278b752e7 [0,2,0,0,0,0|2,0,0]=4 1372 B9R0.5 COCC(C)COCSC a624a1210dd5d761c4100cbd9f874d6b [0,2,0,0,0,0|2,0,0]=4 1373 B9R0.5 COCC(C)OCCC#N cb76801445cbbc3b561188d996b6326b [0,2,0,0,0,0|2,0,0]=4 1374 B9R0.5 COCC(C)OCCC=O 9dbf86a21160103535d5e1a32d202237 [0,2,0,0,0,0|2,0,0]=4 1375 B9R0.5 COCC(C)OCCCF e6fd0b10e826fb28a4f531fd6c6ba9f1 [0,2,0,0,0,0|2,0,0]=4 1376 B9R0.5 COCC(C)OCCCS 73185628ec9dd62c4fa14cee817b9d94 [0,2,0,0,0,0|2,0,0]=4 1377 B9R0.5 COCC(C)OCCSC 4ad36be4022714614597cf6be1fb6b46 [0,2,0,0,0,0|2,0,0]=4 1378 B9R0.5 COCCOC(C)COC fe2edae2af9bc2e142dbf40b56328594 [0,2,0,0,0,0|2,0,0]=4 1379 B9R0.5 COCCOC(C)CSC 0afb629d62361f45c892180dca83993f [0,2,0,0,0,0|2,0,0]=4 1380 B9R0.5 COCCO[C@@H](C)COC 06c83328566ee10486ab47d3712ecb89 [0,2,0,0,0,0|2,0,0]=4 1381 B9R0.5 COCCO[C@H](C)COC 1c86040bd10202df1d1b76b8ed2a6cf6 [0,2,0,0,0,0|2,0,0]=4 1382 B9R0.5 COC[C@@H](C)OCCC#N dff6f54a8b1d4c2b22ab1dac0a2916e2 [0,2,0,0,0,0|2,0,0]=4 1383 B9R0.5 COC[C@@H](C)OCCC=O 1878b95e9f8b2ae0da6c47a7441586dc [0,2,0,0,0,0|2,0,0]=4 1384 B9R0.5 COC[C@@H](C)OCCCF c0c8f976d435baccc6275957150aec1f [0,2,0,0,0,0|2,0,0]=4 1385 B9R0.5 COC[C@@H](C)OCCCS 00e650e63bd75eb58934db63dffb7af1 [0,2,0,0,0,0|2,0,0]=4 1386 B9R0.5 COC[C@@H](C)OCCSC ad806fa6343d16ccd8245838f952bdde [0,2,0,0,0,0|2,0,0]=4 1387 B9R0.5 COC[C@H](C)COCCF 82d2fe57a0edc1a171b72298fc1a0be0 [0,2,0,0,0,0|2,0,0]=4 1388 B9R0.5 COC[C@H](C)COCCS b37d093375624311a5eb40476846c70b [0,2,0,0,0,0|2,0,0]=4 1389 B9R0.5 COC[C@H](C)COCSC 8d47dd89387d74aef86dfb118a66ff1f [0,2,0,0,0,0|2,0,0]=4 1390 B9R0.5 COC[C@H](C)OCCC#N d27663d9ffcf48a1c2f4fc2e9c655fe6 [0,2,0,0,0,0|2,0,0]=4 1391 B9R0.5 COC[C@H](C)OCCC=O cdcfeab974dcf787b65a1e1a858be05d [0,2,0,0,0,0|2,0,0]=4 1392 B9R0.5 COC[C@H](C)OCCCF daa96c53b08acea59daea3ed957c008f [0,2,0,0,0,0|2,0,0]=4 1393 B9R0.5 COC[C@H](C)OCCCS 405456ef23f43a6cabf810c9eb07939b [0,2,0,0,0,0|2,0,0]=4 1394 B9R0.5 COC[C@H](C)OCCSC 51d5b1a85d1808678167f1e587a20a9f [0,2,0,0,0,0|2,0,0]=4 1395 B9R0.5 CSCC(C)OCCC#N 71ecf19abbcaa2d12d42e0c59634689c [0,2,0,0,0,0|2,0,0]=4 1396 B9R0.5 CSCC(C)OCCC=O a28892617707d880aa61248959cd2e72 [0,2,0,0,0,0|2,0,0]=4 1397 B9R0.5 CSCC(C)OCCCF 293589df101022d1a2fef2142c3b0324 [0,2,0,0,0,0|2,0,0]=4 1398 B9R0.5 CSCC(C)OCCCS 6d7e1790ab4a7c6769b4ca3e7bfc564f [0,2,0,0,0,0|2,0,0]=4 1399 B9R0.5 CSCCOC(C)CSC 0165efdac1c775668632d38f12459a3f [0,2,0,0,0,0|2,0,0]=4 1400 B9R0.8 C#CCOC(C)C(=O)CC d9782c5250a3edf38b163e94bb2fff4a [0,2,0,0,0,0|1,0,1]=4 1401 B9R0.8 C#CCOC(C)C(C)CC 15e5e8267d36b3bba6549cac9e237de3 [0,2,0,0,0,0|1,0,1]=4 1402 B9R0.8 C=CCOC(C)C(C)CC 497cc3ca82ab66597318538d46ffa3eb [0,2,0,0,0,0|1,0,1]=4 1403 B9R0.8 CCC(=O)C(C)NCCBr 64e34f4df5f4e8d1bef3f4978862f1f8 [0,2,0,0,0,0|2,0,0]=4 1404 B9R0.8 CCC(=O)C(C)NCCF 5e70f984eb2d5dc4c1903fcb0a3e2f41 [0,2,0,0,0,0|2,0,0]=4 1405 B9R0.8 CCC(=O)C(C)NCCI bc4fd901bdb585c117088feb170c7ea7 [0,2,0,0,0,0|2,0,0]=4 1406 B9R0.8 CCC(=O)C(C)NCCO a6ca7b75b4dcee243dcdf60254103368 [0,2,0,0,0,0|2,0,0]=4 1407 B9R0.8 CCC(=O)C(C)NCCS bb59428fe74c12422654a92f73d8b77f [0,2,0,0,0,0|2,0,0]=4 1408 B9R0.8 CCC(=O)C(C)OCC#N d412f520420558e9ff37da7feb8907e7 [0,2,0,0,0,0|1,0,1]=4 1409 B9R0.8 CCC(=O)C(C)OCCF a2a3e7db9ccfd3c538c971c8b56be4b0 [0,2,0,0,0,0|1,0,0]=3 1410 B9R0.8 CCC(=O)C(C)OCCS 972e0b806873bc366e31ae5f8572a7b3 [0,2,0,0,0,0|1,0,0]=3 1411 B9R0.8 CCC(=O)C(C)OCOC 3addba24d482e33b3f3ace5923030d28 [0,2,0,0,0,0|1,0,0]=3 1412 B9R0.8 CCC(C)C(C)NCCF 0f9e8c74c8cfc39f87064ba316e45936 [0,2,0,0,0,0|2,0,0]=4 1413 B9R0.8 CCC(C)C(C)NCCO 63afbed8378823ce1ce1a2f8298db261 [0,2,0,0,0,0|2,0,0]=4 1414 B9R0.8 CCC(C)C(C)NCCS 915cad6dc79539b419723fd613e7a9df [0,2,0,0,0,0|2,0,0]=4 1415 B9R0.8 CCC(C)C(C)NCOC 388801a2580e922970a161ee8cf65c7d [0,2,0,0,0,0|2,0,0]=4 1416 B9R0.8 CCC(C)C(C)NCSC 055943672d33f29db132f77226010938 [0,2,0,0,0,0|2,0,0]=4 1417 B9R0.8 CCC(C)C(C)OCC#N df010b4c98c646707a8da127e0bc4caa [0,2,0,0,0,0|1,0,1]=4 1418 B9R0.8 CCC(C)C(C)OCC=O 3a318650f80c7b6ed32ae99d31926896 [0,2,0,0,0,0|1,0,1]=4 1419 B9R0.8 CCC(C)C(C)OCCF 0613842536159de60d155e0c759998ef [0,2,0,0,0,0|1,0,0]=3 1420 B9R0.8 CCC(C)C(C)OCCS 94e140660208c3ce11b207f40e316862 [0,2,0,0,0,0|1,0,0]=3 1421 B9R0.8 CCC(C)C(C)OCOC d257bddf7d8a7eb92413f6c30b9c0ecb [0,2,0,0,0,0|1,0,0]=3 1422 B9R0.8 CCC(C)C(C)OCSC 4983ba8cb9434267846baeff7be3260c [0,2,0,0,0,0|1,0,0]=3 1423 B9R0.8 CCC(S)C(C)COCF 232040d6dd7dcdf26b7792d2c38d8fc1 [0,2,0,0,0,0|2,0,0]=4 1424 B9R0.8 CCCCC(C)N(C)CC 25e984dace972a269fa32aa91c455cba [0,2,0,0,0,0|2,0,0]=4 1425 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,2,0,0,0,0|2,0,0]=4 1426 B9R0.8 CCCNC(C)C(C)CC 55c79ef9f77d3a853d933ab87041d510 [0,2,0,0,0,0|2,0,0]=4 1427 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,2,0,0,0,0|1,0,0]=3 1428 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,2,0,0,0,0|2,0,0]=4 1429 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,2,0,0,0,0|2,0,0]=4 1430 B9R0.8 CCCOC(C)C(C)CC f8ca382f1598cf55a54f01cf42b32244 [0,2,0,0,0,0|1,0,0]=3 1431 B9R0.8 CCCOC(C)C(C)OC fd3176827a21545dd285f6fc06157a6f [0,2,0,0,0,0|2,0,0]=4 1432 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,2,0,0,0,0|2,0,0]=4 1433 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,2,0,0,0,0|2,0,0]=4 1434 B9R0.8 CCN(C)C(C)CCCO 2cadbeb9804ab5472a2861ad4076a8bc [0,2,0,0,0,0|2,0,0]=4 1435 B9R0.8 CCN(C)C(C)COCF a4a86d270bc80b36a291c5b46d448199 [0,2,0,0,0,0|2,0,0]=4 1436 B9R0.8 CCN(C)[C@@H](C)COCF 3c8a5dc3700eb1e4d86bafb9e45a97cd [0,2,0,0,0,0|2,0,0]=4 1437 B9R0.8 CCN(C)[C@H](C)COCF 1f5001189fcd4ad1deb42e47d467ce0d [0,2,0,0,0,0|2,0,0]=4 1438 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,2,0,0,0,0|2,0,0]=4 1439 B9R0.8 CCOCC(C)C(S)CC 0bfcbb583e8add4bf4721f60faac8cc9 [0,2,0,0,0,0|1,0,0]=3 1440 B9R0.8 CCOCC(C)N(C)CC ed70f92221ea4529b024c5d30ab10325 [0,2,0,0,0,0|1,0,0]=3 1441 B9R0.8 CCOCN(C)C(C)CC ac1973507065f67eb52ce38edd7de451 [0,2,0,0,0,0|2,0,0]=4 1442 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,2,0,0,0,0|2,0,0]=4 1443 B9R0.8 CCOC[C@@H](C)N(C)CC 1ee5943ac3fb8affd5269f3559a04a83 [0,2,0,0,0,0|1,0,0]=3 1444 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,2,0,0,0,0|2,0,0]=4 1445 B9R0.8 CCOC[C@H](C)N(C)CC ccfa636f36a8c6b1aeecff3aeb458ad5 [0,2,0,0,0,0|1,0,0]=3 1446 B9R0.8 COC(=O)C(C)OCCF 100059756fd900098c62556a2ae1ce35 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.8 COC(=O)C(C)OCCS e7025bf903a8d5f820d0296de478345d [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.8 COC(=O)C(C)OCSC ebd918713d697a3d130a3e5b592f95ea [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.8 COC(=O)[C@@H](C)OCCF d1c1991f25a8b884548cfd60d33876dd [0,2,0,0,0,0|2,0,0]=4 1450 B9R0.8 COC(=O)[C@@H](C)OCCS 9ef70f4f282a66cce9dfb1e835575055 [0,2,0,0,0,0|2,0,0]=4 1451 B9R0.8 COC(=O)[C@@H](C)OCSC 28e79a44863d047cc528276a78c0c9cd [0,2,0,0,0,0|2,0,0]=4 1452 B9R0.8 COC(=O)[C@H](C)OCCF 29fbfe09a06b54c89987b94c571cc4e4 [0,2,0,0,0,0|2,0,0]=4 1453 B9R0.8 COC(=O)[C@H](C)OCCS cacca195083b683b3e20b6ded7274a88 [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.8 COC(=O)[C@H](C)OCSC 18a62ed2db31e4b687bb63a6d3283424 [0,2,0,0,0,0|2,0,0]=4 1455 B9R0.8 COC(C)C(C)OCCF af2f369d13272b23b06d462a46a06add [0,2,0,0,0,0|2,0,0]=4 1456 B9R0.8 COC(C)C(C)OCCS 2888f8ad90f9d298c3e0e89b226594b7 [0,2,0,0,0,0|2,0,0]=4 1457 B9R0.8 COC(C)C(C)OCSC 4849201aad273ba020eb621c1c192fb9 [0,2,0,0,0,0|2,0,0]=4 1458 B9R0.8 COCOC(C)C(=O)OC 9848f05d221db1285aa396c5cdb54009 [0,2,0,0,0,0|2,0,0]=4 1459 B9R0.8 COCOC(C)C(C)OC b0a26b00417e628b1e419595dd099c27 [0,2,0,0,0,0|2,0,0]=4 1460 B9R0.8 COCO[C@@H](C)C(=O)OC d3164128e1fe62adbc450c7289f3cf7d [0,2,0,0,0,0|2,0,0]=4 1461 B9R0.8 COCO[C@H](C)C(=O)OC 17521579f3e79d24afec0b769bf2889d [0,2,0,0,0,0|2,0,0]=4 1462 B9R0.18 C#CCOC(C)C#CCC e9919cd74513c308309ec3af57514a33 [0,2,0,0,0,0|1,0,1]=4 1463 B9R0.18 C#CCOC(C)CCCC a6bf8a2fbde7f7937d084a3ce3f21abb [0,2,0,0,0,0|1,0,1]=4 1464 B9R0.18 C#CCOC(C)CCOC 16ad52583dd911ca3e075391f92ad1c1 [0,2,0,0,0,0|1,0,1]=4 1465 B9R0.18 C#CCOC(C)CCSC cb7acaaf119a49f1ba868faafe59db9d [0,2,0,0,0,0|1,0,1]=4 1466 B9R0.18 C#CCOC(C)COCC 6f7e698b5bba57b9c9b306c37cf05710 [0,2,0,0,0,0|0,0,1]=3 1467 B9R0.18 C#CCO[C@@H](C)CCCC d36d8187ba9fe99db945c7ac19c589a4 [0,2,0,0,0,0|1,0,1]=4 1468 B9R0.18 C#CCO[C@H](C)CCCC 4f5dddefc5ccbd74a979c1cd0f8b39d1 [0,2,0,0,0,0|1,0,1]=4 1469 B9R0.18 C=CCCC(C)OCCC 7912a5c88e116a41f225a0605d7ee9b9 [0,2,0,0,0,0|1,0,1]=4 1470 B9R0.18 C=CCCC(C)OCCF d40762fdc5fe3a946ea5c475b0560edc [0,2,0,0,0,0|1,0,1]=4 1471 B9R0.18 C=CCCC(C)OCCS 53c5b6de0e84db80c1ff436e93f06ef9 [0,2,0,0,0,0|1,0,1]=4 1472 B9R0.18 C=CCCC(C)OCOC 872f3eda6806d3c62956d011d3418121 [0,2,0,0,0,0|1,0,1]=4 1473 B9R0.18 C=CCCC(C)OCSC d7f2ef1035ac594534d0fc8be82fc939 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.18 C=CCC[C@@H](C)OCCC 99173135eb582288011948d677068cc8 [0,2,0,0,0,0|1,0,1]=4 1475 B9R0.18 C=CCC[C@@H](C)OCCF 560eb4b3ba4d4d9219b20aff2deec573 [0,2,0,0,0,0|1,0,1]=4 1476 B9R0.18 C=CCC[C@@H](C)OCCS 279829f970a885c455a83c8e56bedc9f [0,2,0,0,0,0|1,0,1]=4 1477 B9R0.18 C=CCC[C@@H](C)OCOC 430f12bbaa69f590d2741f158e7a726b [0,2,0,0,0,0|1,0,1]=4 1478 B9R0.18 C=CCC[C@@H](C)OCSC 048654ab127b12b9c39237da27460ebf [0,2,0,0,0,0|1,0,1]=4 1479 B9R0.18 C=CCOC(C)C#CCC 9352a1d7834dcfbdd4408135cff8d524 [0,2,0,0,0,0|1,0,1]=4 1480 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [0,2,0,0,0,0|1,0,1]=4 1481 B9R0.18 C=CCOC(C)CCOC f3c795786c7022d726115bd3f9ed9fd7 [0,2,0,0,0,0|1,0,1]=4 1482 B9R0.18 C=CCOC(C)CCSC c718e5cdece70b71b1fcdd31f660a068 [0,2,0,0,0,0|1,0,1]=4 1483 B9R0.18 C=CCOC(C)COCC 764c32529709baf48be8cb2233a09513 [0,2,0,0,0,0|0,0,1]=3 1484 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [0,2,0,0,0,0|1,0,1]=4 1485 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [0,2,0,0,0,0|1,0,1]=4 1486 B9R0.18 CC(CCC#N)OCCS 297bc6ee632e7d83671e66964d3a5d09 [0,2,0,0,0,0|1,0,1]=4 1487 B9R0.18 CC(CCCO)NCCBr 1ae250cd4c30a4a2e1a0855376d5700c [0,2,0,0,0,0|2,0,0]=4 1488 B9R0.18 CC(CCCO)NCCF c7f84bce70720633b332cf7648a145f3 [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.18 CC(CCCO)NCCI 582d78b1976a1675a8e0025618b9b8a8 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.18 CC(CCCO)NCCO 221f8682faf75542ab4184288190c1bf [0,2,0,0,0,0|2,0,0]=4 1491 B9R0.18 CC(CCCO)NCCS 7689a433bbec484b0dd6b4a2004a6457 [0,2,0,0,0,0|2,0,0]=4 1492 B9R0.18 CCC#CC(C)OCC#N 596cbec291fedb642e5590385d81a73e [0,2,0,0,0,0|1,0,1]=4 1493 B9R0.18 CCC#CC(C)OCC=O 2b1abd7d5586aaa42e43353c0b47708a [0,2,0,0,0,0|1,0,1]=4 1494 B9R0.18 CCC#CC(C)OCCC c65da1261d7821d86f335a5db670d722 [0,2,0,0,0,0|1,0,0]=3 1495 B9R0.18 CCC#CC(C)OCCF 3ebcf0772a52fd7a798922406c91bc53 [0,2,0,0,0,0|1,0,0]=3 1496 B9R0.18 CCC#CC(C)OCCS 0df780abd53531575c118bfb8e82952d [0,2,0,0,0,0|1,0,0]=3 1497 B9R0.18 CCC#CC(C)OCOC 7a1558acb40814eaf08312c31e29f350 [0,2,0,0,0,0|1,0,0]=3 1498 B9R0.18 CCC#CC(C)OCSC 26c72f1b427d9a42d75aab37e470e014 [0,2,0,0,0,0|1,0,0]=3 1499 B9R0.18 CCCCC(C)COCC 58365c9c9e662717f1bbd5e7f384f400 [0,2,0,0,0,0|1,0,0]=3 1500 B9R0.18 CCCCC(C)COCF 09ffbdc6b473e3828f87d6ed9dd457d6 [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.18 CCCCC(C)NCCBr 9fba29ec3a5cf6539561bd90121ef824 [0,2,0,0,0,0|2,0,0]=4 1502 B9R0.18 CCCCC(C)NCCC 2d290a5f42eca09ba83265f4a79377f0 [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.18 CCCCC(C)NCCF 1c4f1f21c3559bf066a315a24bd566a8 [0,2,0,0,0,0|2,0,0]=4 1504 B9R0.18 CCCCC(C)NCCI 19ab92f263f6cb9513f4b684d182bbcb [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.18 CCCCC(C)NCCO ff47d9e2568b188c4923b45bf7987a40 [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.18 CCCCC(C)NCCS 5311705e3cab165ea51d61f6a43c54bb [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.18 CCCCC(C)NCOC 72ee118d96c93b5e2ac974d6392482cd [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.18 CCCCC(C)NCSC bcfc6ecb0dcd8498089aa9706435be8a [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.18 CCCCC(C)OCC#N a49c2f2b2ea1e149d9135336e3cfab81 [0,2,0,0,0,0|1,0,1]=4 1510 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [0,2,0,0,0,0|1,0,1]=4 1511 B9R0.18 CCCCC(C)OCCC 03a9a54da7ce8074115dc5963e2487d3 [0,2,0,0,0,0|1,0,0]=3 1512 B9R0.18 CCCCC(C)OCCF 3f799a7d24890a960e30edb9bb965fe5 [0,2,0,0,0,0|1,0,0]=3 1513 B9R0.18 CCCCC(C)OCCS 498240fa81efc48a364f781ba80a2136 [0,2,0,0,0,0|1,0,0]=3 1514 B9R0.18 CCCCC(C)OCOC 2647a8351841aefd7767410eec944f14 [0,2,0,0,0,0|1,0,0]=3 1515 B9R0.18 CCCCC(C)OCSC 675cf4242578276faef054101752fff5 [0,2,0,0,0,0|1,0,0]=3 1516 B9R0.18 CCCCN(C)COCC d499f711adfc90243a4d04f7325fe0b5 [0,2,0,0,0,0|2,0,0]=4 1517 B9R0.18 CCCC[C@@H](C)NCCC 681a66d3f2656eddcb965975aeb1cfd0 [0,2,0,0,0,0|2,0,0]=4 1518 B9R0.18 CCCC[C@@H](C)NCCF 0e8602f3df83b4aa0e8e8f747cf182b2 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.18 CCCC[C@@H](C)NCCO 91f3234cc374ccfce736aaecc9b5736e [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.18 CCCC[C@@H](C)NCCS 8b9dbc6c5ee5f29cbf78c5244c74622e [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.18 CCCC[C@@H](C)NCOC f66d1627858146f3e552909b38c15c1f [0,2,0,0,0,0|2,0,0]=4 1522 B9R0.18 CCCC[C@@H](C)NCSC a789cbef4e3d9f77aa76a78bcc072748 [0,2,0,0,0,0|2,0,0]=4 1523 B9R0.18 CCCC[C@@H](C)OCC#N 3768ccd6166470de9b4699e30d70c1fa [0,2,0,0,0,0|1,0,1]=4 1524 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [0,2,0,0,0,0|1,0,1]=4 1525 B9R0.18 CCCC[C@@H](C)OCCC 3919e2b8d370ec3c53a10b41264f7777 [0,2,0,0,0,0|1,0,0]=3 1526 B9R0.18 CCCC[C@@H](C)OCCF 9e6e7d202edc7f99d8130b72feff99d7 [0,2,0,0,0,0|1,0,0]=3 1527 B9R0.18 CCCC[C@@H](C)OCCS da0dc6ff36920e5da60fbd4660080dd8 [0,2,0,0,0,0|1,0,0]=3 1528 B9R0.18 CCCC[C@@H](C)OCSC 5f93169fe26264ec85ba889f3f1492c7 [0,2,0,0,0,0|1,0,0]=3 1529 B9R0.18 CCCC[C@H](C)OCC#N 8fb280eb0fa37a708edcd7a81ea14614 [0,2,0,0,0,0|1,0,1]=4 1530 B9R0.18 CCCC[C@H](C)OCC=O 64aea713a6e78b2a7c1dcccee369110a [0,2,0,0,0,0|1,0,1]=4 1531 B9R0.18 CCCC[C@H](C)OCCC 66356f9f032d16fe1fbfbbab77eafd41 [0,2,0,0,0,0|1,0,0]=3 1532 B9R0.18 CCCC[C@H](C)OCCF 452211e2967f01206ae8ab89031a98ce [0,2,0,0,0,0|1,0,0]=3 1533 B9R0.18 CCCC[C@H](C)OCCS e7099a214ea1736c512624854b8788ff [0,2,0,0,0,0|1,0,0]=3 1534 B9R0.18 CCCC[C@H](C)OCSC 6f25ee6b4cd5695fd2c5f7349596b758 [0,2,0,0,0,0|1,0,0]=3 1535 B9R0.18 CCCNC(C)CCCO e35a72c6f447647387525857cf3e6cf3 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.18 CCCN[C@H](C)CCCO 558264158e702c6f14ae3c30e7ce5099 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.18 CCCOC(C)CCC#N 0415ca1bc365e8df2ecd9c554f41b87d [0,2,0,0,0,0|1,0,1]=4 1538 B9R0.18 CCCOC(C)CCOC 747f19116197a3930af98e143e45dd61 [0,2,0,0,0,0|1,0,0]=3 1539 B9R0.18 CCCOC(C)CCSC 73142708a2860b7c297104e6b288642f [0,2,0,0,0,0|1,0,0]=3 1540 B9R0.18 CCCOC(C)COCC f8832bba2994252896d2ff4eb2c06c9a [0,2,0,0,0,0|0,0,0]=2 1541 B9R0.18 CCNCC(O)COCC 2508dfde29f683fc4d314ee848f5dfca [0,2,0,0,0,0|2,0,0]=4 1542 B9R0.18 CCNC[C@H](C)CCCO 59acf7998511cccd05de89c8199a3646 [0,2,0,0,0,0|2,0,0]=4 1543 B9R0.18 CCOCC(C)COCC 445e6d2aca05018d9465f1ebee3aaa14 [0,2,0,0,0,0|0,0,0]=2 1544 B9R0.18 CCOCC(C)COCF 5f0f4d6484bbe3bfde3e34c93c6ae969 [0,2,0,0,0,0|1,0,0]=3 1545 B9R0.18 CCOCC(C)OCC#N d18d3c2a9e76e989e6c238590d4fc3ca 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B9R0.34 CCC[C@H](C)NC(C)C=O 7853cb57b661b3764e5cd13b85390ea4 [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.34 CCC[C@H](C)NC(C)CC 28c1d661b42dc256057a659505a20570 [0,2,0,0,0,0|2,0,0]=4 1652 B9R0.34 CCC[C@H](C)NC(C)CO ad55917cb5ce1236d23db4754b17fe8d [0,2,0,0,0,0|2,0,0]=4 1653 B9R0.34 CCC[C@H](C)N[C@@H](C)CO 75c6dfae577b49818c81dc68b6bb5836 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.34 CCC[C@H](C)N[C@H](C)C=O a16ab6302ebec20e2ae941420595fc8b [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.34 CCC[C@H](C)N[C@H](C)CO 2f2589b097c3a35f7ca59e5aba74fde7 [0,2,0,0,0,0|2,0,0]=4 1656 B9R0.34 CCC[C@H](C)OC(C)C#N 0000c124401e0561c6775129e6726d12 [0,2,0,0,0,0|1,0,0]=3 1657 B9R0.34 CCC[C@H](C)OC(C)C=O 4077e235063d1423f053353f1b4acd6b [0,2,0,0,0,0|1,0,0]=3 1658 B9R0.34 CCC[C@H](C)OC(C)CC ad328d20057bedeb41907757091212bf [0,2,0,0,0,0|1,0,0]=3 1659 B9R0.34 CCC[C@H](C)OC(F)C#N 101e7283198ed0dca115fb6fb62375d7 [0,2,0,0,0,0|1,0,1]=4 1660 B9R0.34 CCC[C@H](C)O[C@H](C)C=O 24eb961676ef2f8d752e620686c5118c [0,2,0,0,0,0|1,0,0]=3 1661 B9R0.34 CCNC(C)CC(C)CC 05ee29c1cb2d82eb637df8ccff5d64c4 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.34 CCO/C(=C/C(=O)CC)/C c820e01072ca31bdd89ad2eb64e446a9 [0,2,0,0,0,0|1,0,1]=4 1663 B9R0.34 CCOC(C)CC(=O)OC bb8935a6b3f2527590add1883d9af4ba [0,2,0,0,0,0|1,0,1]=4 1664 B9R0.34 CCOC(C)CC(C)OC 75f20277cb944ba5164a781b25ba2a9e [0,2,0,0,0,0|1,0,0]=3 1665 B9R0.34 CCOC(C)CN(C)C=O 9c84bdcef60f94191a71a98ae2651424 [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.34 CCOC(C)CN(C)CC 183803ac9c8d7cf06ded93f15f118dc8 [0,2,0,0,0,0|1,0,0]=3 1667 B9R0.34 CCOC(C)CN(C)CF 0557934dbaed0c4e8901b92f38d8da18 [0,2,0,0,0,0|2,0,0]=4 1668 B9R0.34 CCOC(C)CN(C)CO 87cd0c6e2fcd7bb8782b569d33e00af4 [0,2,0,0,0,0|2,0,0]=4 1669 B9R0.34 CCO[C@@H](C)CC(=O)OC aac0a176fbc44f8c523dab5a743853de [0,2,0,0,0,0|1,0,1]=4 1670 B9R0.34 CCO[C@H](C)CC(=O)OC 3c6c55836fc2ed2696b0ec29d17e7dcf [0,2,0,0,0,0|1,0,1]=4 1671 B9R0.34 CC[C@@H](C)OC(C)COC b23ac95f3958d0b2eba0b9931d54db28 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.34 CC[C@H](C)OC(C)COC 64a364f9de1c0a3218bb424769359e35 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.34 COC(C)CC(C)OCF f65e44ddf1b500b25b9787120a6c3365 [0,2,0,0,0,0|2,0,0]=4 1674 B9R0.34 COCC(C)OC(C)C#N 4b73c3d566b4ed303180b981ec617f16 [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.34 COCC(C)OC(C)C=O 06e037abf7a5803a3df8d236c5d3ac3f [0,2,0,0,0,0|2,0,0]=4 1676 B9R0.34 COCC(C)OC(C)CF 42006516ba80801909818b6c6ba239c6 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.34 COCC(C)OC(C)CS dfd08749aeed01937b2a3fe37ba3bec5 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.34 COCC(C)O[C@H](C)C=O faecbe20abc8f257f2ed0883c6d2d57e [0,2,0,0,0,0|2,0,0]=4 1679 B9R0.34 COCC(C)O[C@H](C)CS 0a4041f367950ebaf39e89692975f10b [0,2,0,0,0,0|2,0,0]=4 1680 B9R0.34 COC[C@@H](C)OC(C)C#N 8f09226235a8d25c962879a55a264a76 [0,2,0,0,0,0|2,0,0]=4 1681 B9R0.34 COC[C@@H](C)OC(C)C=O 79487f4e06368652acd82d078c6428a9 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.34 COC[C@@H](C)O[C@H](C)C=O a5c5e564352e2e9d42fc58e78ea91054 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.34 COC[C@H](C)OC(C)C#N b4a54059d5fa47a2d69a4b057ea16e5e [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.34 COC[C@H](C)OC(C)C=O f0ba0fe561507db5bb25931bea4db310 [0,2,0,0,0,0|2,0,0]=4 1685 B9R0.34 COC[C@H](C)O[C@H](C)C=O ec63da5345607936a953392d21a15d04 [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.34 CSCC(C)OC(C)C#N 9b973c3256a7dcd33b2870166c0d8c46 [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.34 CSCC(C)OC(C)C=O 3cb3f302fa48b72c5b4bb09b5652b757 [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.34 CSCC(C)O[C@H](C)C=O c9eda9cef88f2d369df3144bd3686fcc [0,2,0,0,0,0|2,0,0]=4 1689 B9R0.35 CCCC(C)N(C)CCC 174bef97d78fa66bf03f4d2e6fb13387 [0,2,0,0,0,0|2,0,0]=4 1690 B9R0.35 CCCC(C)N(C)CCF 7fcf781d7cc03924ec81eb4675bb4b91 [0,2,0,0,0,0|2,0,0]=4 1691 B9R0.35 CCCC(C)N(C)CCO 888508bb16d0b867fea74648d386b675 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.35 CCNC(=O)[C@H](C)NCC 214401333582d701d8596737f61e8294 [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.35 CCN[C@H](C)C(=O)OCC 6875bcc526feb7ae66bd8400bcf3b7da [0,2,0,0,0,0|1,0,0]=3 1694 B9R0.35 CCOC(=O)C(C)OCC f445527160852fc0c43d12c8fe5320cc [0,2,0,0,0,0|0,0,0]=2 1695 B9R0.35 CCOC(=O)C(C)OCF b72a5184b9f7f92b79234cb6ae816d22 [0,2,0,0,0,0|1,0,0]=3 1696 B9R0.35 CCOC(=O)[C@@H](C)NCF a34a0072dde6c8449b3b5e27f2813cc5 [0,2,0,0,0,0|2,0,0]=4 1697 B9R0.35 CCOC(=O)[C@@H](C)NCO 3ba9ba881d44f88d48cc363193979b75 [0,2,0,0,0,0|2,0,0]=4 1698 B9R0.35 CCOC(=O)[C@@H](C)OCC 631e97abb6fd65233abf22b379a869bf [0,2,0,0,0,0|0,0,0]=2 1699 B9R0.35 CCOC(=O)[C@@H](C)OCF db29af7be0cd6ce5187adc16610b9c75 [0,2,0,0,0,0|1,0,0]=3 1700 B9R0.35 CCOC(=O)[C@H](C)OCC 62fff8344bfc0cb3adfb9e62dd68064a [0,2,0,0,0,0|0,0,0]=2 1701 B9R0.35 CCOC(=O)[C@H](C)OCF 58d923bf5f6e3bf0a31b0bd24fb6ba13 [0,2,0,0,0,0|1,0,0]=3 1702 B9R0.40 C#CC(CCC)OCCC 99c19cde12e0d7f1b17443dd53d66c51 [0,2,0,0,0,0|1,0,1]=4 1703 B9R0.40 C#CC(CCC)OCCF 93bb82815d903ce5895659958860ef15 [0,2,0,0,0,0|1,0,1]=4 1704 B9R0.40 C#CC(CCC)OCCS 4a7b17320b8bf69d1195527c57772eb6 [0,2,0,0,0,0|1,0,1]=4 1705 B9R0.40 C#CC(CCC)OCOC 3afb975fc2084e81c6c17744374d6ad2 [0,2,0,0,0,0|1,0,1]=4 1706 B9R0.40 C#CC(CCC)OCSC f98ad022ac27a77d7cba3f86d93befa1 [0,2,0,0,0,0|1,0,1]=4 1707 B9R0.40 C#CC(CCCC)OCC 34d6f2f805b337e2f29baefe308de38a [0,2,0,0,0,0|1,0,1]=4 1708 B9R0.40 C#CCOC(CC)CCC 151b509268f97c9d6ac932280301e302 [0,2,0,0,0,0|1,0,1]=4 1709 B9R0.40 C#CCO[C@H](CC)CCC 77f61d8aefb2801776d38f8250696a9b [0,2,0,0,0,0|1,0,1]=4 1710 B9R0.40 C=CC(CCC)OCCC c8cc8ff99b986a7fae9322886f38af88 [0,2,0,0,0,0|1,0,1]=4 1711 B9R0.40 C=CC(CCC)OCCF b0727ee9f4e7c7f0fa5042d85ed28cee [0,2,0,0,0,0|1,0,1]=4 1712 B9R0.40 C=CC(CCC)OCCS 1d32182dc19e5e8d4c689ebddbc07f59 [0,2,0,0,0,0|1,0,1]=4 1713 B9R0.40 C=CC(CCC)OCOC 95490b9e1292c66578fca8956db7eec0 [0,2,0,0,0,0|1,0,1]=4 1714 B9R0.40 C=CC(CCC)OCSC 27d679cb3a7f8ba26e0585395f452b2d [0,2,0,0,0,0|1,0,1]=4 1715 B9R0.40 C=CC(CCCC)OCC debe70a957bdc231f9f5bc09ebab038f [0,2,0,0,0,0|1,0,1]=4 1716 B9R0.40 C=CCOC(CC)CCC 35f0a04ab87e49bd2bcd6ae2c3b1ec56 [0,2,0,0,0,0|1,0,1]=4 1717 B9R0.40 C=CCO[C@H](CC)CCC 909f94d03c44d262a2f498f7d1d72eed [0,2,0,0,0,0|1,0,1]=4 1718 B9R0.40 CC#CCC(CC)OCC 98fc717f974d650c43400775964c5901 [0,2,0,0,0,0|1,0,1]=4 1719 B9R0.40 CCC(COC)OCCF d2b6cc1c504406cbf2a16027ad6ea9ac [0,2,0,0,0,0|2,0,0]=4 1720 B9R0.40 CCC(COC)OCCS f704f6fbb8778c4184d2f2e16b216f2f [0,2,0,0,0,0|2,0,0]=4 1721 B9R0.40 CCC(COC)OCOC c5096aef2fcf4fb5be1963ffe734e105 [0,2,0,0,0,0|2,0,0]=4 1722 B9R0.40 CCC(COC)OCSC ea3fa7d903214118cf859b741a2153ab [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.40 CCC(CSC)OCCF 9165f9455526abddf544f8c30d2650f8 [0,2,0,0,0,0|2,0,0]=4 1724 B9R0.40 CCC(CSC)OCCS 2635f7f83368bfef185ac3cbae0fa52f [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.40 CCC(CSC)OCOC 0de1eee1ebafbc7db333edf6606589bc [0,2,0,0,0,0|2,0,0]=4 1726 B9R0.40 CCC(CSC)OCSC e04feaa83d5afba58025d18da71db30b [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.40 CCCC(C#N)OCCF c9796cdade1198ef7f928866680394c7 [0,2,0,0,0,0|1,0,1]=4 1728 B9R0.40 CCCC(C#N)OCCS 19fc5fe8ff26b34ab34fdab3c4a9b3b6 [0,2,0,0,0,0|1,0,1]=4 1729 B9R0.40 CCCC(C#N)OCOC e88d85bb274eb5fe6c0a211111e52352 [0,2,0,0,0,0|1,0,1]=4 1730 B9R0.40 CCCC(C#N)OCSC c343286245926aeef0d3ba875de8983b [0,2,0,0,0,0|1,0,1]=4 1731 B9R0.40 CCCC(CC)COCC 0aa20e7bc483c4759592262d2d2171e2 [0,2,0,0,0,0|1,0,0]=3 1732 B9R0.40 CCCC(CC)COCF 2bcff68a716d0105b919208253aa7c54 [0,2,0,0,0,0|2,0,0]=4 1733 B9R0.40 CCCC(CC)NCCBr 1750a63546cd64598b6f347c12ce73ac [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.40 CCCC(CC)NCCF bb4578fa6c5522a096038bfe75a7674b [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.40 CCCC(CC)NCCI 471b5fe6290747c17393014007a606d3 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.40 CCCC(CC)NCCO 3f48a5a5f0b34047f11d245a806782e0 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.40 CCCC(CC)NCCS 1a2488774e8d00576911d76c403f4d15 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.40 CCCC(CC)OCC#N 8c7c94ae7f1771f03e8e6313519e4b1c [0,2,0,0,0,0|1,0,1]=4 1739 B9R0.40 CCCC(CC)OCC=O b1477f7e8ef32b3e56f6ae9fc57610d7 [0,2,0,0,0,0|1,0,1]=4 1740 B9R0.40 CCCC(CC)OCCF 629bfb37b8d6b1462408359d47565b85 [0,2,0,0,0,0|1,0,0]=3 1741 B9R0.40 CCCC(CC)OCCS 4179477ce8a354404f47731385b998fe [0,2,0,0,0,0|1,0,0]=3 1742 B9R0.40 CCCC(CC)OCOC e50b7c1401bf3b19627875c2bd49fca6 [0,2,0,0,0,0|1,0,0]=3 1743 B9R0.40 CCCC(CC)OCSC 428385daf8608dda09eb0eda591ab582 [0,2,0,0,0,0|1,0,0]=3 1744 B9R0.40 CCCC(CO)NCCF 839381c1a4c265b6e792c21a670f893e [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.40 CCCC(CO)NCCO f713c50ab8748d3a53933197c7bc4506 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.40 CCCC(CO)NCCS 1c0d6fd844e944a5e79b26c2b38a4461 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.40 CCCC(CO)NCOC c21540176f4615257402b02c82164538 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.40 CCCC(CO)NCSC 29aa9aa802329b3af8eadc226aabff1c [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.40 CCCCC(CC)OCC f8505015964e9c49dca586a5dee77bc8 [0,2,0,0,0,0|1,0,0]=3 1750 B9R0.40 CCCCC(CC)OCF 0e987e381d58de15ad70b5901cf1f3fd [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.40 CCCCC(CO)NCC cbdc55a29bd13eaa9ee05a36cd59633e [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.40 CCCC[C@@H](CO)NCC 121df069b48b9b87eed058e1439748b2 [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.40 CCCC[C@H](CO)NCC 2425dfd511abed0be64d5a661c637ade [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.40 CCCN(CC)COCC 387a597847335a4467a7a4d0cac42949 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.40 CCCNC(CC)CCC 0ce2a51fd039fcaf9a76eb2b4964f8f6 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.40 CCCNC(CO)CCC 87c96c838b001ecf30a16e36ec001cf6 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.40 CCCN[C@@H](CO)CCC df7cfbb3545d05a3ae7dd28845fbd35d [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.40 CCCN[C@H](CO)CCC 35715582497d28806315b4b8bae11329 [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.40 CCCOC(C#N)CCC f4f963f957921180c3a56f42e44fba2b [0,2,0,0,0,0|1,0,1]=4 1760 B9R0.40 CCCOC(CBr)CCBr 379f46ea60f8269de3da49906c4249d8 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.40 CCCOC(CC)CCC 8238dc4250141f806af223944c1e9f3d [0,2,0,0,0,0|1,0,0]=3 1762 B9R0.40 CCCOC(CC)COC f1d33567396d0587ae337e3b1833bae8 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.40 CCCOC(CC)CSC 9b79ca4ee9e110a735e9b2fbce649c70 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.40 CCCOC(CCl)CCCl be49a59d47c7a089db84281a4e82cebb [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.40 CCCO[C@@H](CO)CCO 271971862229ec111c96b74c13aa73b9 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.40 CCCO[C@H](CC)CCC 769c614be648c7265a5a510d19215798 [0,2,0,0,0,0|1,0,0]=3 1767 B9R0.40 CCC[C@@H](CC)OCC#N fdeb97cefcdffc74cba489245591bad2 [0,2,0,0,0,0|1,0,1]=4 1768 B9R0.40 CCC[C@@H](CC)OCC=O 8cc017731c32203b67c1e17324dc9226 [0,2,0,0,0,0|1,0,1]=4 1769 B9R0.40 CCC[C@@H](CC)OCCF b2c9fc3bbd78ee19f1c42571a0e99176 [0,2,0,0,0,0|1,0,0]=3 1770 B9R0.40 CCC[C@@H](CC)OCCS 8d61a99f62b98cf704a6f3f58d1b4646 [0,2,0,0,0,0|1,0,0]=3 1771 B9R0.40 CCC[C@@H](CC)OCOC 2839d8bb2c63c040a8c7ac5c350454ed [0,2,0,0,0,0|1,0,0]=3 1772 B9R0.40 CCC[C@@H](CC)OCSC 0a284b8b0ac04b276c55c85a0c002680 [0,2,0,0,0,0|1,0,0]=3 1773 B9R0.40 CCC[C@@H](CO)NCCF 34e8468e7ead0f444a11ded8db088926 [0,2,0,0,0,0|2,0,0]=4 1774 B9R0.40 CCC[C@@H](CO)NCCO dc6d34f2bc25ed0c6f3a3255855911d9 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.40 CCC[C@@H](CO)NCCS 2c446eb54906b36c2e2e14a1e2efb355 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.40 CCC[C@@H](CO)NCOC ec21531b92d7fee2beb53e9b95249079 [0,2,0,0,0,0|2,0,0]=4 1777 B9R0.40 CCC[C@@H](CO)NCSC 699eecdd63c6842c613ae9e815ec62c1 [0,2,0,0,0,0|2,0,0]=4 1778 B9R0.40 CCC[C@H](CO)NCCF eaaabe68e4e62e7e3bfd0095f0b96f56 [0,2,0,0,0,0|2,0,0]=4 1779 B9R0.40 CCC[C@H](CO)NCCO e5ab79830ce415a63432936150525b1d [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.40 CCC[C@H](CO)NCCS 267d654dba941f84f24fa856c935f348 [0,2,0,0,0,0|2,0,0]=4 1781 B9R0.40 CCC[C@H](CO)NCOC 748cb68b8be4bd06fc90b977db1e5856 [0,2,0,0,0,0|2,0,0]=4 1782 B9R0.40 CCC[C@H](CO)NCSC e0950d7b10fa79ed3d6af599ffc4e76e [0,2,0,0,0,0|2,0,0]=4 1783 B9R0.40 CCNC(CO)CCCO ca46aacb27c034365ce5c4c6253dbfd4 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.40 CCNC(CO)CCSC b8e564c2b7ad87110db5b46c71a94e3c [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.40 CCN[C@@H](CO)CCSC 45df498a3067aaca39879a58c7bdd89d [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.40 CCN[C@H](CO)CCSC 0f8cdeccb9d7d33e9f1dc19794c6477e [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.40 COCOC(CBr)CCBr d1efe9b965fcdb6176a5c40eff6bdc32 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.40 COCOC(CCl)CCCl d81eb7e2e087d8e3959876ccdf2ac013 [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.40 COCO[C@@H](CO)CCO 5ee282cb622503b78514b2f67fb3314b [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.40 CSCOC(CBr)CCBr 047db35ec46dbd3fcd4e4f9701431c1c [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.40 CSCOC(CCl)CCCl 0dfa167f1440c55b9afd9630b1694b71 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.40 FCCOC(CBr)CCBr ffd76471d28e7704c352e9dec97b6763 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.40 FCCOC(CCl)CCCl 89c38f974bd4436978440ef01a115c4f [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.40 OCC[C@H](CO)OCCF 67b05951fb0a69c4b0000fee2b131cbe [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.40 OCC[C@H](CO)OCCS 6b95ff05dc549b339fbdcb24c2a5ac14 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.40 SCCOC(CBr)CCBr 0553973930e5f4d1b7ee5a6c30f6267a [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.40 SCCOC(CCl)CCCl 9484a319b67d8923f15d9bb53d02c8e6 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.48 C/C=C/C(C)OCC(C)C 66c6501ddb6a52cecaefda61a233c6d2 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.48 C/C=C/C(C)OCC(F)F 26047cffcab23f90a4a3b4838a60fe32 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.48 C/C=C/C(C)OCN(C)C 2917941fa7b85773ee30fa4fdc6d7c3c [0,2,0,0,0,0|1,0,1]=4 1801 B9R0.48 C=C(Br)COC(C)CCC 9b42c71e18ddb5f1df0cfed1380fbc1d [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.48 C=C(Br)CO[C@@H](C)CCC f5dbba56577b47c8139533bef64e6a47 [0,2,0,0,0,0|1,0,1]=4 1803 B9R0.48 C=C(Br)CO[C@H](C)CCC 31129fd17e5635d40c40e1dca48175e1 [0,2,0,0,0,0|1,0,1]=4 1804 B9R0.48 C=C(C)CNC(C)CCC 249a59065d0d74ced558dc9c9dc4f202 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.48 C=C(C)CN[C@@H](C)CCC fd09b17b6eab62ae3b8eb3ec9d6279f3 [0,2,0,0,0,0|2,0,0]=4 1806 B9R0.48 C=C(C)COC(C)/C=C/C 3097381218d0595acd215d64c960e310 [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.48 C=C(C)COC(C)C#CC 307d7c60754d5f04b95a6af07b1489b8 [0,2,0,0,0,0|1,0,1]=4 1808 B9R0.48 C=C(C)COC(C)C=CC d624c9f0588127a44b7132c852faecce [0,2,0,0,0,0|1,0,1]=4 1809 B9R0.48 C=C(C)COC(C)CCC 8a712e3f999a984623a12b3e185e16f6 [0,2,0,0,0,0|1,0,0]=3 1810 B9R0.48 C=C(C)COC(C)COC de05f812b2faf52134b47c9c1c4e2013 [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.48 C=C(C)COC(C)CSC 6cc77a62ccb99e8e83b2164eaaab66ff [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.48 C=C(C)CO[C@@H](C)CCC e17237a765f8d2f7515c764ae18eed6b [0,2,0,0,0,0|1,0,0]=3 1813 B9R0.48 C=C(C)CO[C@@H](C)COC 3f2393e700f0ed43a30889580db0078b [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.48 C=C(C)CO[C@H](C)CCC c07382948aa51118d6a02318fd89a90c [0,2,0,0,0,0|1,0,0]=3 1815 B9R0.48 C=C(C)CO[C@H](C)COC a9098aa7373848b15980244a0109a35c [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.48 C=C(Cl)COC(C)CCC 4469f239e88e997d5230d6906915a264 [0,2,0,0,0,0|1,0,1]=4 1817 B9R0.48 C=C(Cl)CO[C@@H](C)CCC 847077f2e15a78bac2a4d70b1ea7e8fa [0,2,0,0,0,0|1,0,1]=4 1818 B9R0.48 C=C(Cl)CO[C@H](C)CCC ff9eb95f7bb39ecffad9190ef32d24a9 [0,2,0,0,0,0|1,0,1]=4 1819 B9R0.48 C=C(I)COC(C)CCC 7041f181646a6f58588ec8a65571cde0 [0,2,0,0,0,0|1,0,1]=4 1820 B9R0.48 CC#CC(C)OCC(C)C 5b422d7e5d9e83e94023b5af9de0a7fb [0,2,0,0,0,0|1,0,1]=4 1821 B9R0.48 CC#CC(C)OCC(F)F 66ca6936b7bf615764ed87678b7fe000 [0,2,0,0,0,0|1,0,1]=4 1822 B9R0.48 CC#CC(C)OCN(C)C a3f90b5d8cd418ef9b90651a56f7456e [0,2,0,0,0,0|1,0,1]=4 1823 B9R0.48 CC(=O)OCC(C)OCF d945c8dd292c0b146df582fcf02d66be [0,2,0,0,0,0|1,0,1]=4 1824 B9R0.48 CC(C)CCC(C)OCF 60f38c3752acae577ed864cc86a1a5a9 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.48 CC(C)OCC(C)OCF 12fc841844558e2587b40cbc3444eae5 [0,2,0,0,0,0|1,0,0]=3 1826 B9R0.48 CC(C)OC[C@H](C)OCF ce77614094675790f8095b76a0c7ed7a [0,2,0,0,0,0|1,0,0]=3 1827 B9R0.48 CC(CCN(C)C)OCF 51509971f360fed68c6fa54ec3b7546a [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.48 CC=CC(C)OCC(C)C a397e0f59774180d0ec19eda90295ab5 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.48 CC=CC(C)OCC(F)F 5900d43bf21b8d6ebdcaccd0540d7bd1 [0,2,0,0,0,0|1,0,1]=4 1830 B9R0.48 CC=CC(C)OCN(C)C 97194b83c73375a2a0ae8f834d011db7 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.48 CCCC(C)COC(C)C 6f61b5f138dfbd6067084ccc576d7217 [0,2,0,0,0,0|1,0,0]=3 1832 B9R0.48 CCCC(C)NCC(=O)C 6b8217a6e509e4e9ac7eac79852a2211 [0,2,0,0,0,0|2,0,0]=4 1833 B9R0.48 CCCC(C)NCC(C)C d538efe78cc88c3696f838d8453a97c3 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.48 CCCC(C)NCC(C)O 47ca46de854bc307afa51b274d820e99 [0,2,0,0,0,0|2,0,0]=4 1835 B9R0.48 CCCC(C)NCC(F)F 4cbfb53f7f948847bf124d613f35d578 [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.48 CCCC(C)NCN(C)C 109da1032121505c46cbf617efd115b6 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.48 CCCC(C)NC[C@@H](C)O dd3e1e5a99d06357b215baaa3e655fbd [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.48 CCCC(C)NC[C@H](C)O 9331ecd30e898992036bbad5faca0440 [0,2,0,0,0,0|2,0,0]=4 1839 B9R0.48 CCCC(C)OCC(=O)C 1cb96080ad3b5f1e9dd4a42dcc86b0a0 [0,2,0,0,0,0|1,0,0]=3 1840 B9R0.48 CCCC(C)OCC(=O)N 7e6999709f4494a1ecc876c304501582 [0,2,0,0,0,0|1,0,1]=4 1841 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [0,2,0,0,0,0|1,0,1]=4 1842 B9R0.48 CCCC(C)OCC(=S)N 53e4836c2da53eec93819a42a5b417e0 [0,2,0,0,0,0|1,0,1]=4 1843 B9R0.48 CCCC(C)OCC(C)C 5be224d9722cec7f07e97282baf3a2b2 [0,2,0,0,0,0|1,0,0]=3 1844 B9R0.48 CCCC(C)OCC(C)F b3a225377e32d1b250f9262699c6f119 [0,2,0,0,0,0|1,0,0]=3 1845 B9R0.48 CCCC(C)OCC(C)S d3034c5e31db5713dbe6f459423f94d7 [0,2,0,0,0,0|1,0,0]=3 1846 B9R0.48 CCCC(C)OCC(F)F 0110b702ec29386fe049843cd539bbeb [0,2,0,0,0,0|1,0,0]=3 1847 B9R0.48 CCCC(C)OCN(C)C 23396ff1ddbf942ed77c3695a4bc97fc [0,2,0,0,0,0|1,0,0]=3 1848 B9R0.48 CCCC(C)OCS(=O)O 5fd3c2b57cde05de71deaa29073d7460 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.48 CCCC(C)OC[C@@H](C)F 9bd1fd92723fed4710945b5373a22940 [0,2,0,0,0,0|1,0,0]=3 1850 B9R0.48 CCCC(C)OC[C@H](C)F d026e085ff493f00380d10ee8bd7fa5f [0,2,0,0,0,0|1,0,0]=3 1851 B9R0.48 CCCC(C)OC[N+](=O)[O-] 46ae41b33890caee55b9c81d88ba1802 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.48 CCCN(C)COC(C)C 959e04c5ddd931b823e5b3358a95cdd6 [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.48 CCC[C@@H](C)OCC(=O)N c33601ccdbc26af4c94de37ccd60dbb7 [0,2,0,0,0,0|1,0,1]=4 1854 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [0,2,0,0,0,0|1,0,1]=4 1855 B9R0.48 CCC[C@@H](C)OCC(C)C ebec32e182b28eaf84b2474f2392075c [0,2,0,0,0,0|1,0,0]=3 1856 B9R0.48 CCC[C@@H](C)OCC(F)F 7a26b94d193a3314111fdb8aab20a3f3 [0,2,0,0,0,0|1,0,0]=3 1857 B9R0.48 CCC[C@@H](C)OCN(C)C a0eefd7db826843f7801fef1f228f163 [0,2,0,0,0,0|1,0,0]=3 1858 B9R0.48 CCC[C@@H](C)OC[N+](=O)[O-] 037447bd914f940e773e9ae4eec2b2c8 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.48 CCC[C@H](C)NCC(C)C b8b299d83fd0f93134fe590e4a562be9 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.48 CCC[C@H](C)NCC(C)O 564c6afcec40669a3c18d484e9d625f8 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.48 CCC[C@H](C)NCC(F)F c7631eb04496535d22ffc20d34ec65fd [0,2,0,0,0,0|2,0,0]=4 1862 B9R0.48 CCC[C@H](C)NCN(C)C 9f2cf4d49e70d4ae9163e0157cf38b5c [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.48 CCC[C@H](C)NC[C@@H](C)O f8f56b630d6b9084881f1dc1c9f6ac45 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.48 CCC[C@H](C)NC[C@H](C)O a434bea59043bb2c05076edff7a7581d [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.48 CCC[C@H](C)OCC(=O)N 838feb7f628304bf0a6aa0910dbfc330 [0,2,0,0,0,0|1,0,1]=4 1866 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [0,2,0,0,0,0|1,0,1]=4 1867 B9R0.48 CCC[C@H](C)OCC(C)C 2682183614895a777d22e8d5943637b5 [0,2,0,0,0,0|1,0,0]=3 1868 B9R0.48 CCC[C@H](C)OCC(F)F 9a52580394872bfd892cff5c07f61a18 [0,2,0,0,0,0|1,0,0]=3 1869 B9R0.48 CCC[C@H](C)OCN(C)C 33b94e7259cad056584de2305a4601a1 [0,2,0,0,0,0|1,0,0]=3 1870 B9R0.48 CCC[C@H](C)OC[N+](=O)[O-] c885816113158913d765d3fd15d0fea0 [0,2,0,0,0,0|2,0,0]=4 1871 B9R0.48 CCNC(C)CCC(C)C 6642fd36aa55d925398181b4d6ed89d5 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.48 CCNC(C)CCN(C)C 03abb428caa92586a3a00b29e2cb2d73 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.48 CCN[C@@H](C)CCN(C)C fefb7c7dc712364d8bd2ee513ab136ef [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.48 CCN[C@H](C)CCN(C)C 69f100c8d0e162f0d1cde7b6763bb4a0 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.48 CCOC(=O)COC(C)C 228e90334048907c42f17a3b8b5d3d98 [0,2,0,0,0,0|1,0,1]=4 1876 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,2,0,0,0,0|1,0,1]=4 1877 B9R0.48 CCOC(C)CCC(C)C 238b79e992f85c5e82c5f29d7dc01557 [0,2,0,0,0,0|1,0,0]=3 1878 B9R0.48 CCOC(C)CCN(C)C eb71973b69459c83981f2adb41104e7c [0,2,0,0,0,0|1,0,0]=3 1879 B9R0.48 CCOC(C)CNC(=O)C 217fca33332c664f1a507b96c62f402a [0,2,0,0,0,0|1,0,1]=4 1880 B9R0.48 CCOC(C)CNC(C)C 4dbf7823259386a9c8bbf99fcf07ed5a [0,2,0,0,0,0|1,0,0]=3 1881 B9R0.48 CCOC(C)COC(=O)C 9e93393c063eba810753fb5603d4fc7e [0,2,0,0,0,0|0,0,1]=3 1882 B9R0.48 CCOC(C)COC(C)C e07f597429e2078ea5e59e54a6fef850 [0,2,0,0,0,0|0,0,0]=2 1883 B9R0.48 CCO[C@@H](C)COC(C)C e2051b844f248f8adf76905a514be0bd [0,2,0,0,0,0|0,0,0]=2 1884 B9R0.48 COCC(C)OCC(=O)C ace81521640f8e9505293b44aa1ed37f [0,2,0,0,0,0|2,0,0]=4 1885 B9R0.48 COCC(C)OCC(C)C 897ae5cd59a872ba0cf3df10dab20d2d [0,2,0,0,0,0|2,0,0]=4 1886 B9R0.48 COCC(C)OCC(C)F 4771725281a83253494e9ea905e806d8 [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.48 COCC(C)OCC(C)S 5b26a3bde1fb1db5e25f3c0a4245e9c0 [0,2,0,0,0,0|2,0,0]=4 1888 B9R0.48 COCC(C)OCC(F)F 9bd00d67d45597d27159982ef24456ae [0,2,0,0,0,0|2,0,0]=4 1889 B9R0.48 COCC(C)OCN(C)C c80b07575a6baf30af5d6de9957e5679 [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.48 COCC(C)OC[C@@H](C)F 5a650987f34f89519c82212c203c04c0 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.48 COCC(C)OC[C@H](C)F 1b640814f678a6552709a6352a61bc37 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.48 COC[C@@H](C)OCC(C)C 5b5fad6ccd96f6768a42d911f03ef030 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.48 COC[C@@H](C)OCC(F)F 1273196af2f67a671451f4e56320f986 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.48 COC[C@@H](C)OCN(C)C 6be369d1e9397d9bc7d608a51a6b931c [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.48 COC[C@H](C)OCC(C)C 4b3681d55e36bc149b23f34bc2c251dd [0,2,0,0,0,0|2,0,0]=4 1896 B9R0.48 COC[C@H](C)OCC(F)F c16ca78879225338dd7554992c253d84 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.48 COC[C@H](C)OCN(C)C a64dc654032d3f060b2f29c5a7f7d171 [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.48 CSCC(C)OCC(C)C a697430b7387ef54e43f4d719f65a66f [0,2,0,0,0,0|2,0,0]=4 1899 B9R0.48 CSCC(C)OCC(F)F 31ab75890c8ab4d073aca10e37970bae [0,2,0,0,0,0|2,0,0]=4 1900 B9R0.48 CSCC(C)OCN(C)C 97733b6b4462be78928eefbfcb6e66c4 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.66 CCCC(C)(O)CNCC 0378373eb708e485d700bad7a533a97f [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.66 CCNC(C)(C)CCCO 86e07481a48066bb78c9372a3b701acf [0,2,0,0,0,0|2,0,0]=4 1903 B9R0.66 CCNC(C)(C)CCSC b0da452dcea413755d5332eee3153c47 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.66 CCNC(C)(C)COCC 965fa9f9fa44d1cb424330e010900564 [0,2,0,0,0,0|1,0,0]=3 1905 B9R0.66 CCNC(C)(C)CSCC 28e679f0586632b7425a4f3790841e0a [0,2,0,0,0,0|1,1,0]=4 1906 B9R0.66 CCOC(C)(C)COCF f76e2c748403d4a2329c616ac27eab7a [0,2,0,0,0,0|1,0,0]=3 1907 B9R0.66 CCOCC(C)(C)COC d2a356dac28f80db2c280cdfa0862d8b [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.66 CCOCC(C)(C)NCF bf7bffbd7538b2ea6c9cfaa48145ac8d [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.66 CCOCC(C)(C)NCO 5be77dc06294bb9ea5747f264ffe4a13 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.66 CCOCC(C)(C)OCC 5b9acb77324011ee80551e98dae87e33 [0,2,0,0,0,0|0,0,0]=2 1911 B9R0.6 CCCC(C)N(C)C(C)C 6427fc9af7b64e90ebdb3069bcc6f0ea [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.6 CCOC(C)C(=O)N(C)C dee4d9612b773cf3966a29a28694a5b1 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.6 CCO[C@H](C)C(=O)N(C)C 13cc5b07395d8a254ef5fa9be7bf6a14 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.12 CCC(=O)C(CC)OCF 30176e795eb511b0d2971de7316e1c2d [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.12 CCCC(CC)N(C)CC f1cb18a1e26f87a4fb802245c7eb4248 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.12 CCNC(CC)C(O)CC fc4acfb190e8a28206a981d089dacc1b [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.12 CCNC(CO)C(C)CC 076cf24fe40004a1df57b85953c487aa [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.12 CCN[C@@H](CO)[C@H](C)CC e0e1ceff82ebc6c742fff6ea481189fd [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.12 CCN[C@H](CO)[C@@H](C)CC f6496c162ce1093b19d6f34a8c5a715c [0,2,0,0,0,0|2,0,0]=4 1920 B9R0.12 CCOC(CC)C(=O)CC dc229763be7b8d495a3c742a2765e48c [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.12 CCOC(CC)C(=O)OC dafeac8a9e49a0ca9bcc192bdedd1ece [0,2,0,0,0,0|2,0,0]=4 1922 B9R0.12 CCOC(OC)C(=O)OC 739d4987749edc9d825824bfb39658eb [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.12 CCO[C@@H](CC)C(=O)OC 5a2831785b533bb4fd647aebbcb4d403 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.12 CCO[C@H](CC)C(=O)OC 46c21ea7eed63401aa22bf6ce0cd90ba [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.19 CCC(C)(C)C(C)OCF 5908abe674a8e330d48a22552ea4508d [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.19 CCOC(C)C(C)(C)CC 2daeb0fbd73291d2413bdbef458c3c2f [0,2,0,0,0,0|1,0,0]=3 1927 B9R0.23 CCC(=O)C(C)OC(C)C 6708ce163703160d902bfc07165cab40 [0,2,0,0,0,0|1,0,0]=3 1928 B9R0.23 CCC(C)C(C)NC(C)C 362bd9617ad01c2de4e7d03e1013c197 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.23 CCC(C)C(C)OC(C)C 2a47b835e7d121cbb13f34c893430bcb [0,2,0,0,0,0|1,0,0]=3 1930 B9R0.23 CCN(C)C(C)CC(C)C d0b59c07932f6570ba85e83ab54d8d31 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.23 CCN(C)C(C)CC(C)O f53c40ad35f3ce8a3a0a475ec28d1f9b [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.23 CNC(=O)C(C)OC(C)C 46f15ef48ceb11e6fe5f6e111f40a3c3 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.23 COC(=O)C(C)OC(C)C a0a379023719ce693b1d023cd8b5033b [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.23 COC(=O)[C@@H](C)OC(C)C 00855389155a20f77742c699f5d3beaf [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.23 COC(=O)[C@H](C)OC(C)C e76a681e1150bbf690cc71533af4c7e6 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.23 COC(C)C(C)OC(C)C a132283a0ad31a0983464ae4ad1731b3 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.27 CCC(=O)C(C)N(C)CC 80d04c9c6919b30b17f31203560fa1e5 [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.37 CCC(CC)C(C)OCF f00631ee7aeadb51dbaaf0bcefc9b6b1 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.37 CCOC(C)C(CC)CC 28669fd5772db4c0bae67386c2ce6731 [0,2,0,0,0,0|1,0,0]=3 1940 B9R0.37 CCOC(C)C(OC)OC 3bb92ed4eeea95dfa3a57ed7fcc43f21 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.37 CCO[C@@H](C)C(OC)OC 49769216d360d51c995b90014f893642 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.37 CCO[C@H](C)C(OC)OC b27d1411db2f2c4741c06a03b70e62e0 [0,2,0,0,0,0|2,0,0]=4 1943 B9R0.14 C#CC(CC(C)C)OCC 6da4d62c1096ff9044e06ad8518521e5 [0,2,0,0,0,0|1,0,1]=4 1944 B9R0.14 C#CC(CCC)OC(C)C 8bd449c9269947706ed56dcec6bd1689 [0,2,0,0,0,0|1,0,1]=4 1945 B9R0.14 C=CC(CC(C)C)OCC 31644764edb043ba1624c67e20282d71 [0,2,0,0,0,0|1,0,1]=4 1946 B9R0.14 C=CC(CCC)OC(C)C 2e012a2f1c9f950d14174919c522fc9d [0,2,0,0,0,0|1,0,1]=4 1947 B9R0.14 CC(C)OC(CBr)CCBr 4b2984d45b04bf2389729872b040cc7c [0,2,0,0,0,0|2,0,0]=4 1948 B9R0.14 CC(C)OC(CCl)CCCl b8aa4d9203670fc68d6b4e87b04d859b [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.14 CC(C)O[C@@H](CO)CCO ef11568ea2d37fbfb5ba9408ffef36eb [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.14 CCC(COC)OC(C)C 3d38e7aba6af9c1146852026988cb428 [0,2,0,0,0,0|2,0,0]=4 1951 B9R0.14 CCC(CSC)OC(C)C 135872275d396fc608448ef0edbdb1f1 [0,2,0,0,0,0|2,0,0]=4 1952 B9R0.14 CCCC(C#N)OC(C)C c8dae7dde3574fa2edf40e6f037a9e90 [0,2,0,0,0,0|1,0,1]=4 1953 B9R0.14 CCCC(CC)OC(C)C c50b63b5afd43bc9dd207a7943b338ed [0,2,0,0,0,0|1,0,0]=3 1954 B9R0.14 CCCC(CO)NC(C)C bde8f178d225b392e5794634b662a237 [0,2,0,0,0,0|2,0,0]=4 1955 B9R0.14 CCC[C@@H](CC)OC(C)C a39a86427e11d72d6f7273e04c6ecbea [0,2,0,0,0,0|1,0,0]=3 1956 B9R0.14 CCC[C@@H](CO)NC(C)C 3086af1369b93d1fa42cdeb313a2097d [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.14 CCC[C@H](CO)NC(C)C f970f3c821edfa2ebfbeadb11dc6ec94 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.14 CCNC(CO)CC(C)C 70a9aacb9463f6eae66fbd5e7509bc43 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.14 CCN[C@@H](CO)CC(C)C bc3310a2f7637e679fc82e772ff0c426 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.14 CCN[C@H](CO)CC(C)C 775461ae8ad7ccfcbef3b68fc90d46e8 [0,2,0,0,0,0|2,0,0]=4 1961 B9R0.14 CCOC(C#N)CC(C)C f50d06d728ee86d743893eddacb2b784 [0,2,0,0,0,0|1,0,1]=4 1962 B9R0.14 CCO[C@H](CC)CN(C)C 71a83bb50de1c2497679bec56bec2549 [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.44 CC(CC(C)(C)C)OCF 340f3e9c1c3e0f02d42c4e894639e615 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.44 CC(CC(C)(C)S)OCF 3a299efeb3df472653a72f0c2f248edd [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.44 CCCC(C)NC(C)(C)C b64b2470cbc8d0fc792e2a4e709b5cf0 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.44 CCOC(C)CC(C)(C)C ac5556f9675833c8530528d0c78a9983 [0,2,0,0,0,0|1,0,0]=3 1967 B9R0.44 CCOC(C)CC(C)(C)S c3ceb85f6bafd03ecceb01ee39dd5983 [0,2,0,0,0,0|1,0,0]=3 1968 B9R0.53 CC(=O)OC(C)OC(C)C 15386f8b89c66ca0048e9c86cc06f7a3 [0,2,0,0,0,0|0,0,1]=3 1969 B9R0.53 CC(C)CC(C)NC(C)C 4c98e0ee40dd2d40a8b49b2059c6a0a7 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.53 CC(C)CC(C)OC(C)C f4225fa3036599cd338e783b8ac82773 [0,2,0,0,0,0|1,0,0]=3 1971 B9R0.53 CC(C)C[C@@H](C)OC(C)C 0f7a0e0048e2fba2905da6aa990a5338 [0,2,0,0,0,0|1,0,0]=3 1972 B9R0.53 CC(C)C[C@H](C)OC(C)C 202a7fcc4ce6435b48c3d4a14394bda1 [0,2,0,0,0,0|1,0,0]=3 1973 B9R0.53 CC(C)OC(C)CN(C)C deb1c3f7c197161144aeeed81e735719 [0,2,0,0,0,0|2,0,0]=4 1974 B9R0.53 CC(C)O[C@@H](C)CN(C)C 21ae4b7f86626c320bd5c18898d7d692 [0,2,0,0,0,0|2,0,0]=4 1975 B9R0.53 CC(C)O[C@H](C)CN(C)C 4858aad68d2668ce8a1b5492d80864f1 [0,2,0,0,0,0|2,0,0]=4 1976 B9R0.53 CC(O)CC(C)NC(C)C 55ac7fbe1c7c61e2312d8d1392277ea7 [0,2,0,0,0,0|2,0,0]=4 1977 B9R0.15 CCCC(OCC)C(=O)N 5e17f02760d6fc55f241c2f1ab74a4ca [0,2,0,0,0,0|1,0,1]=4 1978 B9R0.15 CCCC(OCC)C(=O)O 557cdda2d42ce9925ebe94072fd2dc3e [0,2,0,0,0,0|1,0,1]=4 1979 B9R0.15 CCCC(OCC)C(C)C e92d999be069504d5fc7f6e2735d7a96 [0,2,0,0,0,0|1,0,0]=3 1980 B9R0.15 CCCC(OCF)C(C)C 0ef7c4f36b8fd0d0fc148d8413dbc8c9 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.15 CCC[C@@H](OCC)C(=O)O e0fb7807d37784e305105182208c5882 [0,2,0,0,0,0|1,0,1]=4 1982 B9R0.15 CCC[C@H](OCC)C(=O)O b55cb319009947167c9d3030186a699d [0,2,0,0,0,0|1,0,1]=4 1983 B9R0.15 CCOC(OCC)C(F)F ccb9ab84ca5c6a29c68e094d3eaaec6f [0,2,0,0,0,0|0,0,0]=2 1984 B9R0.15 CCOC(OCF)C(F)F 99b4ec5c2892d1966c4518a34ae56238 [0,2,0,0,0,0|1,0,0]=3 1985 B9R0.17 CCCC(CCC)NCC ddd45faa5306b27a1d72b76e087036bb [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.17 CCCC(CCC)NCF ec5b27a8f3c2b4d0e77881907455ba8a [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.17 CCCC(CCC)NCO d1140e3e226f7dbd1150e43fae13223a [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.17 CCCC(CCC)OCC eaefef31a773bb3c066a25cae0992714 [0,2,0,0,0,0|1,0,0]=3 1989 B9R0.17 CCCC(CCC)OCF ba5ef35becd613f75720a15441855b31 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.17 CCCC(CCO)NCC 7cd7153d642a14f8ac7540b4f6be6734 [0,2,0,0,0,0|2,0,0]=4 1991 B9R0.17 CCOC(COC)COC ffbe9c30e841070e47bf96dbf56bfe01 [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.59 CCCC(C)(C#N)NCC efa548b43678e0c8eca1c30dec078b59 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.59 CCCC(C)(CO)NCC 1d5445bdd843732ee905699748904534 [0,2,0,0,0,0|2,0,0]=4 1994 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [1,0,0,1,0,0|2,0,0]=4 1995 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [1,0,0,1,0,0|2,0,0]=4 1996 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [1,0,0,1,0,0|1,0,0]=3 1997 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [1,0,0,1,0,0|2,0,0]=4 1998 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [1,0,0,1,0,0|2,0,0]=4 1999 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [1,0,0,1,0,0|2,0,0]=4 2000 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [1,0,0,1,0,0|2,0,0]=4 2001 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [1,0,0,1,0,0|1,0,0]=3 2002 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [1,0,0,1,0,0|2,0,0]=4 2003 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [1,0,0,1,0,0|0,0,0]=2 2004 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [1,0,0,1,0,0|1,0,0]=3 2005 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [1,0,0,1,0,0|1,0,0]=3 2006 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [1,0,0,1,0,0|2,0,0]=4 2007 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [1,0,0,1,0,0|1,0,0]=3 2008 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [1,0,0,1,0,0|2,0,0]=4 2009 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [1,0,0,1,0,0|2,0,0]=4 2010 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [1,0,0,1,0,0|2,0,0]=4 2011 B7R1.21 CC1(CC1)NCF ca95094546b9f047a7e9abc6602efda5 [1,0,0,1,0,0|2,0,0]=4 2012 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [1,0,0,1,0,0|2,0,0]=4 2013 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [1,0,0,1,0,0|1,0,0]=3 2014 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [1,0,0,1,0,0|2,0,0]=4 2015 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [1,0,0,1,0,0|2,0,0]=4 2016 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [1,0,0,1,0,0|1,0,0]=3 2017 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [1,0,0,1,0,0|2,0,0]=4 2018 B9R1.2 CC1CN(CCO1)CF 5604e0e287f758cadf8b3a47139435e2 [0,1,0,1,0,0|2,0,0]=4 2019 B9R1.2 CC1CN(CCO1)CO 778a26868977a5891e9594a8c31c0b2b [0,1,0,1,0,0|2,0,0]=4 2020 B9R1.2 CCN1CCCC(C1)C bb28da9a5acb28960c4ccbfa24bf8789 [0,1,0,1,0,0|2,0,0]=4 2021 B9R1.2 CCN1CCC[C@@H](C1)C 60c8c16bbe3ec0bdd85a0ab469564b45 [0,1,0,1,0,0|2,0,0]=4 2022 B9R1.2 CCN1CCC[C@H](C1)C 7a8da6e9090318009a7decadd340bca1 [0,1,0,1,0,0|2,0,0]=4 2023 B9R1.2 CCN1CCOC(C1)C 728c54cb68ad3e7e596277403e524930 [0,1,0,1,0,0|1,0,0]=3 2024 B9R1.2 CCN1CCO[C@@H](C1)C 6773a2926bf65cf454f86f72394acd18 [0,1,0,1,0,0|1,0,0]=3 2025 B9R1.2 CCN1CCO[C@H](C1)C 2830584cb78b6db06594fe0e084d9b83 [0,1,0,1,0,0|1,0,0]=3 2026 B9R1.2 C[C@@H]1CN(CCO1)CF 3b82e6ab612ad0d331b047e2904a7f87 [0,1,0,1,0,0|2,0,0]=4 2027 B9R1.2 C[C@@H]1CN(CCO1)CO 11017e5ee62e4fd7346d2d1374c88c4c [0,1,0,1,0,0|2,0,0]=4 2028 B9R1.2 C[C@H]1CN(CCO1)CF e69c1008d59a2450179733e0300d4744 [0,1,0,1,0,0|2,0,0]=4 2029 B9R1.2 C[C@H]1CN(CCO1)CO d21afa11a092c2202f863301c8e7ddd7 [0,1,0,1,0,0|2,0,0]=4 2030 B9R1.7 CC1CC(CO1)OCF 2338a0a6f462ae47636a9e96bd3855b6 [0,1,0,1,0,0|1,0,0]=3 2031 B9R1.7 CC1CCC(C1)OCF 9089501ad242f89319fa28aecc141070 [0,1,0,1,0,0|2,0,0]=4 2032 B9R1.7 CCNC1CCC(C1)C 547849e139f726d1547850686dbabf59 [0,1,0,1,0,0|2,0,0]=4 2033 B9R1.7 CCNC1CCC(C1)O 628356fc89e19ef9e05dade55232a5bb [0,1,0,1,0,0|2,0,0]=4 2034 B9R1.7 CCNC1CCN(C1)C 98e716c89117cdd33fb2118616624dd2 [0,1,0,1,0,0|2,0,0]=4 2035 B9R1.7 CCN[C@@H]1CCN(C1)C 68e58a5926e024da5b3e286634965cd1 [0,1,0,1,0,0|2,0,0]=4 2036 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,1,0,1,0,0|2,0,0]=4 2037 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,1,0,1,0,0|2,0,0]=4 2038 B9R1.7 CCN[C@H]1CCN(C1)C b54722705533d3c0d10a14cdbf455a84 [0,1,0,1,0,0|2,0,0]=4 2039 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,1,0,1,0,0|2,0,0]=4 2040 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,1,0,1,0,0|2,0,0]=4 2041 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,1,0,1,0,0|1,0,1]=4 2042 B9R1.7 CCOC1CCC(C1)C 2e79cb3e7d53d70b7a3a49594f9b7572 [0,1,0,1,0,0|1,0,0]=3 2043 B9R1.7 CCOC1CCC(C1)F cb7366f0f3c88496c0dd299220151677 [0,1,0,1,0,0|1,0,0]=3 2044 B9R1.7 CCOC1CCN(C1)C 822648a9745b5cf76e89527be37e6a98 [0,1,0,1,0,0|1,0,0]=3 2045 B9R1.7 CCOC1COC(=O)C1 a14609c36cb4911f4d4f0326be24482c [0,1,0,1,0,0|1,0,1]=4 2046 B9R1.7 CCOC1COC(C1)C 3e91a0d24859f42f4cfd5c657a58260e [0,1,0,1,0,0|0,0,0]=2 2047 B9R1.7 CCO[C@@H]1CCN(C1)C f59cd89bd8c0aac7811819bada908c4c [0,1,0,1,0,0|1,0,0]=3 2048 B9R1.7 CCO[C@@H]1COC(=O)C1 f08fd85a64aaf6d51d762bf437e965d8 [0,1,0,1,0,0|1,0,1]=4 2049 B9R1.7 CCO[C@H]1CCN(C1)C 0c4435a71f223a74de6762fb6f609302 [0,1,0,1,0,0|1,0,0]=3 2050 B9R1.7 CCO[C@H]1COC(=O)C1 b5b6c1c9b0e94e583c1e7d2706c4af7c [0,1,0,1,0,0|1,0,1]=4 2051 B9R1.7 CN1CCC(C1)OCF 3d67c22144b018e718c23ae881ef26bd [0,1,0,1,0,0|2,0,0]=4 2052 B9R1.7 CN1CC[C@@H](C1)OCF bd83bc4221eaaed559b38e365958093e [0,1,0,1,0,0|2,0,0]=4 2053 B9R1.7 CN1CC[C@H](C1)OCF a102a014bc188bbff76f4458fd3f8002 [0,1,0,1,0,0|2,0,0]=4 2054 B9R1.7 FCOC1CCC(C1)F cb731a7dd7f85be41196b1e7732d848e [0,1,0,1,0,0|2,0,0]=4 2055 B9R1.8 CCCN1CCCOC1 f24207267ec2bfd6a98a300d3d8157f4 [0,1,0,1,0,0|2,0,0]=4 2056 B9R1.8 CCNC1C=CCCC1 381b66b498fdea5c28ca09d8304c5d3a [0,1,0,1,0,0|2,0,0]=4 2057 B9R1.8 CCNC1CCCOC1 44e7a9c60ab74c80ef1160380a9b9fb7 [0,1,0,1,0,0|1,0,0]=3 2058 B9R1.8 CCNC1CCOCC1 c0daf1fa4c1e38e303ccc560bdf15914 [0,1,0,1,0,0|2,0,0]=4 2059 B9R1.8 CCNC1CCSCC1 e97705abb4309fae49cd9e4ef5264d02 [0,1,0,1,0,0|2,0,0]=4 2060 B9R1.8 CCN[C@@H]1CCCOC1 6c80b60090682b5fd207bb8d7a62fd53 [0,1,0,1,0,0|1,0,0]=3 2061 B9R1.8 CCN[C@H]1CCCOC1 e5738a32ab8207497f49a57ad67aa158 [0,1,0,1,0,0|1,0,0]=3 2062 B9R1.8 CCOC1C=CCCC1 7b09c8f3de0d6e6b8ab9978bfcb2c07e [0,1,0,1,0,0|1,0,0]=3 2063 B9R1.8 CCOC1CC=CCC1 cefd106d480c96ab62434f76bf5fbc62 [0,1,0,1,0,0|1,0,1]=4 2064 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [0,1,0,1,0,0|1,0,0]=3 2065 B9R1.8 CCOC1CCCCO1 c72d85277d313af8f6a59b457effacb6 [0,1,0,1,0,0|0,0,0]=2 2066 B9R1.8 CCOC1CCCOC1 28e0b80b41504c5ce6342a42ff1482ae [0,1,0,1,0,0|0,0,0]=2 2067 B9R1.8 CCOC1CCCSC1 8f50cc38cd9825cb05861ebd8195f318 [0,1,0,1,0,0|0,1,0]=3 2068 B9R1.8 CCOC1CCOCC1 fd86eef19d7eefde56e35a599458ddd0 [0,1,0,1,0,0|1,0,0]=3 2069 B9R1.8 CCOC1CCSCC1 45ac356b0a4faae19c54a0a24f086ac8 [0,1,0,1,0,0|1,0,0]=3 2070 B9R1.8 CCO[C@@H]1CCCOC1 e2635ce7ad18ae3f1004b0745c859319 [0,1,0,1,0,0|0,0,0]=2 2071 B9R1.8 CCO[C@H]1CCCOC1 bd7b8624ac6ebefc862948904b1aa0ec [0,1,0,1,0,0|0,0,0]=2 2072 B9R1.8 FCNC1CCCOC1 f46187a4b9edf5a33dd858b3408cd5a5 [0,1,0,1,0,0|2,0,0]=4 2073 B9R1.8 FCN[C@@H]1CCCOC1 f1042be1dfa07d78f6bb0111244d5293 [0,1,0,1,0,0|2,0,0]=4 2074 B9R1.8 FCN[C@H]1CCCOC1 9bb8cf9f44abdfdc0d1c6e67254f9e6e [0,1,0,1,0,0|2,0,0]=4 2075 B9R1.8 FCOC1C=CCCC1 f72e691aa681616e4382982069cb2aab [0,1,0,1,0,0|2,0,0]=4 2076 B9R1.8 FCOC1CCCCC1 c197a407df0a4ab8cd1695541dd8db87 [0,1,0,1,0,0|2,0,0]=4 2077 B9R1.8 FCOC1CCCCO1 188437cec4861d522453fb2eaf58909a [0,1,0,1,0,0|1,0,0]=3 2078 B9R1.8 FCOC1CCCOC1 cecf144bbbce7aae827e62950965aaeb [0,1,0,1,0,0|1,0,0]=3 2079 B9R1.8 FCOC1CCCSC1 185ec015f5ea9a165c5fbcabb9d5d79d [0,1,0,1,0,0|1,1,0]=4 2080 B9R1.8 FCOC1CCOCC1 32bd0c6fa2569051ca2b8decf137b167 [0,1,0,1,0,0|2,0,0]=4 2081 B9R1.8 FCOC1CCSCC1 ffe07c58d9e9428e4fca6606dc29744c [0,1,0,1,0,0|2,0,0]=4 2082 B9R1.8 FCO[C@@H]1CCCOC1 35c5c2a9d31bb0abca5942cca8109165 [0,1,0,1,0,0|1,0,0]=3 2083 B9R1.8 FCO[C@H]1CCCOC1 92280d91891bf7567ce57feebf7ca29c [0,1,0,1,0,0|1,0,0]=3 2084 B9R1.8 OCNC1CCCOC1 1e46b72657889f1bc5f310e94cc9c168 [0,1,0,1,0,0|2,0,0]=4 2085 B9R1.8 OCN[C@@H]1CCCOC1 c945eddb3482423f8ee44c5f8e36f316 [0,1,0,1,0,0|2,0,0]=4 2086 B9R1.8 OCN[C@H]1CCCOC1 ce9921cc8ee8caf462b02b7aa2785265 [0,1,0,1,0,0|2,0,0]=4 2087 B9R1.9 C#CCOC1CC(C1)C 54f74dd38d317358e8b7f23a8cfb7a4d [0,1,0,1,0,0|1,0,1]=4 2088 B9R1.9 C=CCOC1CC(C1)C b3d57b7f4ff05f28889c77392a995c98 [0,1,0,1,0,0|1,0,1]=4 2089 B9R1.9 CC1CC(C1)COCF 4b9cd12927085198a61f317b91f98634 [0,1,0,1,0,0|2,0,0]=4 2090 B9R1.9 CC1CC(C1)OCC#N 87dfb786e1a69d7ef84b15cb9780870c [0,1,0,1,0,0|1,0,1]=4 2091 B9R1.9 CC1CC(C1)OCC=O 0d59e4bb94b77ec144f5dd7165775259 [0,1,0,1,0,0|1,0,1]=4 2092 B9R1.9 CC1CC(C1)OCCF 2c88f2ff8d9dc6e0889d43ef39d09fd2 [0,1,0,1,0,0|1,0,0]=3 2093 B9R1.9 CC1CC(C1)OCCS b29286d5a8f5d90bda47a031aee001e8 [0,1,0,1,0,0|1,0,0]=3 2094 B9R1.9 CCCOC1CC(C1)C 45cca4ac9b058ecc0d4bdc684dd2136b [0,1,0,1,0,0|1,0,0]=3 2095 B9R1.9 CCCOC1CC(C1)F df50f7399e835d479991eb7724ac0c10 [0,1,0,1,0,0|2,0,0]=4 2096 B9R1.9 CCCOC1CN(C1)C 79ef2e901cabdf513e6340a40beb0e24 [0,1,0,1,0,0|2,0,0]=4 2097 B9R1.9 CCCO[C@H]1C[C@@H](C1)F 09400432e769f851a5066765b0732d99 [0,1,0,1,0,0|2,0,0]=4 2098 B9R1.9 CCCO[C@H]1C[C@H](C1)F 5f27ff9879567f632332154d5f05bbc4 [0,1,0,1,0,0|2,0,0]=4 2099 B9R1.9 CCOCC1CC(C1)C 565473ead0ab6c22b2e90952080ee273 [0,1,0,1,0,0|1,0,0]=3 2100 B9R1.9 CCOCC1CC(C1)F 16b5c613c7e1cbf782cfe10c4aa61dbd [0,1,0,1,0,0|2,0,0]=4 2101 B9R1.9 CCOCC1CN(C1)C 9a726d7be340d2e591661071c38f0b9e [0,1,0,1,0,0|2,0,0]=4 2102 B9R1.9 CCOC[C@H]1C[C@@H](C1)C c47b99fac02adeb8e44c45cb55936d0f [0,1,0,1,0,0|1,0,0]=3 2103 B9R1.9 CN1CC(C1)OCCF d29199328bd8895668bf90e72222ff80 [0,1,0,1,0,0|2,0,0]=4 2104 B9R1.9 CN1CC(C1)OCCS 7c09d79af437777de4fd04f97e132fa9 [0,1,0,1,0,0|2,0,0]=4 2105 B9R1.9 COCOC1CC(C1)C ee3c7157c2014bca436f775075997e64 [0,1,0,1,0,0|1,0,0]=3 2106 B9R1.9 COCOC1CC(C1)F 0562237e6d599a8e0fb9e9e50baf017a [0,1,0,1,0,0|2,0,0]=4 2107 B9R1.9 COCOC1CN(C1)C 1f02c0b0753f0ce1109cb2720ea29221 [0,1,0,1,0,0|2,0,0]=4 2108 B9R1.9 COCO[C@H]1C[C@@H](C1)F 8b2326505f52049780b5613c83327549 [0,1,0,1,0,0|2,0,0]=4 2109 B9R1.9 COCO[C@H]1C[C@H](C1)F 0666c94e790b9fea7313bd1231af8c70 [0,1,0,1,0,0|2,0,0]=4 2110 B9R1.9 CSCOC1CC(C1)C f3af707646f6db289153706076210467 [0,1,0,1,0,0|1,0,0]=3 2111 B9R1.9 CSCOC1CC(C1)F 25b4c2e6cd4503fbb57c75131d622a4c [0,1,0,1,0,0|2,0,0]=4 2112 B9R1.9 CSCOC1CN(C1)C aba78896711d979e13e30c2ba4e02ff5 [0,1,0,1,0,0|2,0,0]=4 2113 B9R1.9 CSCO[C@H]1C[C@@H](C1)F 02b68f5d05d7b226399939350d70ab11 [0,1,0,1,0,0|2,0,0]=4 2114 B9R1.9 CSCO[C@H]1C[C@H](C1)F 5c1a60028b1a94d9b68958bc2d9a6554 [0,1,0,1,0,0|2,0,0]=4 2115 B9R1.9 C[C@H]1C[C@@H](C1)COCF ec443836637ced41dd0c429fe56dd7d8 [0,1,0,1,0,0|2,0,0]=4 2116 B9R1.9 FC1CC(C1)OCCS 839df24dd2179b3ba68c4dda2e3e39f9 [0,1,0,1,0,0|2,0,0]=4 2117 B9R1.9 FCCOC1CC(C1)F e3eb6f4cff9e9c542c2481d6505e8981 [0,1,0,1,0,0|2,0,0]=4 2118 B9R1.9 FCCO[C@H]1C[C@@H](C1)F a758dcf2b8ce10e82f3dd627c2fef689 [0,1,0,1,0,0|2,0,0]=4 2119 B9R1.9 FCCO[C@H]1C[C@H](C1)F 0b4a18a3f5abd56cd922272d63f9be02 [0,1,0,1,0,0|2,0,0]=4 2120 B9R1.9 F[C@H]1C[C@@H](C1)OCCS 78b2a8681d3d1b86e028ee3abe8a8400 [0,1,0,1,0,0|2,0,0]=4 2121 B9R1.9 F[C@H]1C[C@H](C1)OCCS effdca4a6bd2e17efc594238d152bc38 [0,1,0,1,0,0|2,0,0]=4 2122 B9R1.12 BrCCNC1CCCC1 c6c521b2ce9b0d6d3447aa138bc49678 [0,1,0,1,0,0|2,0,0]=4 2123 B9R1.12 C#CCOC1CCCC1 8722ca3512977b1a522adee489822a80 [0,1,0,1,0,0|1,0,1]=4 2124 B9R1.12 C#CCOC1CCCO1 71fd54116b01ef0e4a05db8c9e68f21f [0,1,0,1,0,0|0,0,1]=3 2125 B9R1.12 C=CCOC1CCCC1 22f7677a5a2db535f14966e96785d78f [0,1,0,1,0,0|1,0,1]=4 2126 B9R1.12 C=CCOC1CCCO1 07dc06b14814543ad8fc1e6830b8ad31 [0,1,0,1,0,0|0,0,1]=3 2127 B9R1.12 CCCNC1CCCC1 6c561cdfdd3ce17ce90e8fda71317d57 [0,1,0,1,0,0|2,0,0]=4 2128 B9R1.12 CCCOC1C=CCC1 c828ce14c6c0406fcb0a810d3d8e329e [0,1,0,1,0,0|1,0,1]=4 2129 B9R1.12 CCCOC1CCCC1 8b31bdd2ae6636509668964f17d3af12 [0,1,0,1,0,0|1,0,0]=3 2130 B9R1.12 CCCOC1CCCO1 4e4ce5597ea66ad501ec25fa53d020dd [0,1,0,1,0,0|0,0,0]=2 2131 B9R1.12 CCCOC1CCOC1 8cbb45f98e2fad4f08813db013294a6a [0,1,0,1,0,0|2,0,0]=4 2132 B9R1.12 CCCOC1CCSC1 fc9e487eb825d14f235b876c3bbdabe1 [0,1,0,1,0,0|2,0,0]=4 2133 B9R1.12 CCCO[C@@H]1CCOC1 0ced0c25035c746f7789ae5343f851de [0,1,0,1,0,0|2,0,0]=4 2134 B9R1.12 CCCO[C@@H]1CCSC1 857d38deec95d71a6c13b08d35a3e44d [0,1,0,1,0,0|2,0,0]=4 2135 B9R1.12 CCCO[C@H]1CCOC1 1602edfc26983fb15df3b9be5c904156 [0,1,0,1,0,0|2,0,0]=4 2136 B9R1.12 CCCO[C@H]1CCSC1 04bf48acf94ce8449471813ae1bee855 [0,1,0,1,0,0|2,0,0]=4 2137 B9R1.12 CCNCC1CCCC1 5a3ad05440161202bff87c340c2ae6eb [0,1,0,1,0,0|2,0,0]=4 2138 B9R1.12 CCNCC1CCCO1 0d10918d6022ab0ba029f9bc507ef0d5 [0,1,0,1,0,0|1,0,0]=3 2139 B9R1.12 CCNC[C@@H]1CCCO1 b1829889cbf982f3fcb1bb0335d251c8 [0,1,0,1,0,0|1,0,0]=3 2140 B9R1.12 CCNC[C@H]1CCCO1 5696667f73ca7c93f1dd7a4fdf14dc92 [0,1,0,1,0,0|1,0,0]=3 2141 B9R1.12 CCOCC1C=CCC1 608a599d2ce1d9806fd4dc0424859b06 [0,1,0,1,0,0|1,0,1]=4 2142 B9R1.12 CCOCC1CCCC1 78dfb99153363e6ae71186392081c4c4 [0,1,0,1,0,0|1,0,0]=3 2143 B9R1.12 CCOCC1CCCO1 2054eb6e81b646f33dc6d98216be64f2 [0,1,0,1,0,0|0,0,0]=2 2144 B9R1.12 CCOCC1CCCS1 fda5a0c4a41f4031af715e57eedde033 [0,1,0,1,0,0|0,1,0]=3 2145 B9R1.12 CCOCC1CCOC1 081b8a302e395d21423b992decfc7864 [0,1,0,1,0,0|2,0,0]=4 2146 B9R1.12 CCOCN1CCCC1 10706d052d0b8a1bdaf6406298dca6b2 [0,1,0,1,0,0|2,0,0]=4 2147 B9R1.12 CCOC[C@@H]1CCCO1 a2ec9082c3cefa87960b2eb598c83c97 [0,1,0,1,0,0|0,0,0]=2 2148 B9R1.12 CCOC[C@@H]1CCOC1 110af67d4a3e1691dca41b1082ecc779 [0,1,0,1,0,0|2,0,0]=4 2149 B9R1.12 CCOC[C@H]1CCCO1 2cdc5ffd4542ac26ce370875427cfda2 [0,1,0,1,0,0|0,0,0]=2 2150 B9R1.12 CCOC[C@H]1CCOC1 324f1ca870799e717de7b33cf11a0c3d [0,1,0,1,0,0|2,0,0]=4 2151 B9R1.12 COCNC1CCCC1 69ef5e2fdd70a2f2bb46ba3386c41e11 [0,1,0,1,0,0|2,0,0]=4 2152 B9R1.12 COCOC1C=CCC1 60321e5ed5ab9ce1c7795d52a55da74c [0,1,0,1,0,0|1,0,1]=4 2153 B9R1.12 COCOC1CCCC1 2943e1e93dd873c7391396ec9633419e [0,1,0,1,0,0|1,0,0]=3 2154 B9R1.12 COCOC1CCCO1 20e6e3930a8f26f1a2205045bfbc4b80 [0,1,0,1,0,0|0,0,0]=2 2155 B9R1.12 COCOC1CCOC1 e9d9a10254a6baa4781ce926e79d8b93 [0,1,0,1,0,0|2,0,0]=4 2156 B9R1.12 COCOC1CCSC1 68275d2dbe8be17733396f3053c214ec [0,1,0,1,0,0|2,0,0]=4 2157 B9R1.12 COCO[C@@H]1CCOC1 3c0f58aab96615857d8e136b865ed1f3 [0,1,0,1,0,0|2,0,0]=4 2158 B9R1.12 COCO[C@@H]1CCSC1 7d53f49d684a9180b1c33386777891ac [0,1,0,1,0,0|2,0,0]=4 2159 B9R1.12 COCO[C@H]1CCOC1 8133d4d67e253e16186a29454db02d6c [0,1,0,1,0,0|2,0,0]=4 2160 B9R1.12 COCO[C@H]1CCSC1 2e4e1272ce572991723ec546fb5b52a9 [0,1,0,1,0,0|2,0,0]=4 2161 B9R1.12 CSCNC1CCCC1 2e1014ab5233abcd36004d67c2d1ee5e [0,1,0,1,0,0|2,0,0]=4 2162 B9R1.12 CSCOC1C=CCC1 2f30b39bea57bfbdbcf87990323d89a9 [0,1,0,1,0,0|1,0,1]=4 2163 B9R1.12 CSCOC1CCCC1 4d4f03fa523a880c781e82e000450363 [0,1,0,1,0,0|1,0,0]=3 2164 B9R1.12 CSCOC1CCCO1 821393188cd42b944a93875485042f3d [0,1,0,1,0,0|0,0,0]=2 2165 B9R1.12 CSCOC1CCOC1 523c5964255b20331442401d08b74d78 [0,1,0,1,0,0|2,0,0]=4 2166 B9R1.12 CSCOC1CCSC1 bcb85737cc5aaa6113d0a31bd110800e [0,1,0,1,0,0|2,0,0]=4 2167 B9R1.12 CSCO[C@@H]1CCOC1 71bd07547b11da590959ab5ae26b7e05 [0,1,0,1,0,0|2,0,0]=4 2168 B9R1.12 CSCO[C@@H]1CCSC1 8b12cf96f1f1b752543e5061d9b736d5 [0,1,0,1,0,0|2,0,0]=4 2169 B9R1.12 CSCO[C@H]1CCOC1 3ff7af1a3dbefdaa8a422af5c7d18b8a [0,1,0,1,0,0|2,0,0]=4 2170 B9R1.12 CSCO[C@H]1CCSC1 af058d9a184a89e30fa8410ac05105b6 [0,1,0,1,0,0|2,0,0]=4 2171 B9R1.12 FCCNC1CCCC1 eaad322a8d099d7489668f25d58860c1 [0,1,0,1,0,0|2,0,0]=4 2172 B9R1.12 FCCOC1C=CCC1 cbc2e8ffa027bf1f463d41314a949221 [0,1,0,1,0,0|1,0,1]=4 2173 B9R1.12 FCCOC1CCCC1 b4ff08bedab1a43d91a75b49048b20b0 [0,1,0,1,0,0|1,0,0]=3 2174 B9R1.12 FCCOC1CCCO1 68089a96fc2763d6f90ba264b52bfdb0 [0,1,0,1,0,0|0,0,0]=2 2175 B9R1.12 FCCOC1CCOC1 8226ef62e780e2848ff1001af75efe32 [0,1,0,1,0,0|2,0,0]=4 2176 B9R1.12 FCCOC1CCSC1 630c15e77520505e31017002292d16d8 [0,1,0,1,0,0|2,0,0]=4 2177 B9R1.12 FCCO[C@@H]1CCOC1 97356b60405b376ab9cfd5b7cefcc310 [0,1,0,1,0,0|2,0,0]=4 2178 B9R1.12 FCCO[C@@H]1CCSC1 08b0ddd83ef2ffa9acad590a98b42bda [0,1,0,1,0,0|2,0,0]=4 2179 B9R1.12 FCCO[C@H]1CCOC1 fb10116a0bffd5cecb6c48c23693415c [0,1,0,1,0,0|2,0,0]=4 2180 B9R1.12 FCCO[C@H]1CCSC1 24d573dbeed11db6ffaeb7b8fe4cd838 [0,1,0,1,0,0|2,0,0]=4 2181 B9R1.12 FCNCC1CCCO1 665c9adebd19ef617d641f3c589abe88 [0,1,0,1,0,0|2,0,0]=4 2182 B9R1.12 FCNC[C@@H]1CCCO1 809275c33906a737f7ac2333e68726e9 [0,1,0,1,0,0|2,0,0]=4 2183 B9R1.12 FCNC[C@H]1CCCO1 2273dc9fe4fc65ee4398b187540ff460 [0,1,0,1,0,0|2,0,0]=4 2184 B9R1.12 FCOCC1CCCC1 adc3b963cccb9f54cfa066ef371e1987 [0,1,0,1,0,0|2,0,0]=4 2185 B9R1.12 FCOCC1CCCO1 3da5144201bb64495a12aa51835dee04 [0,1,0,1,0,0|1,0,0]=3 2186 B9R1.12 FCOCC1CCCS1 958c12abf2f34560c53c811677d00d7b [0,1,0,1,0,0|1,1,0]=4 2187 B9R1.12 FCOC[C@@H]1CCCO1 008ba7c0caf0f25668fb12124f9e8a74 [0,1,0,1,0,0|1,0,0]=3 2188 B9R1.12 FCOC[C@H]1CCCO1 853f0b635f936733b4ad9f22b8c231e9 [0,1,0,1,0,0|1,0,0]=3 2189 B9R1.12 ICCNC1CCCC1 19ea301c24e23b4e61e0ae848fc57619 [0,1,0,1,0,0|2,0,0]=4 2190 B9R1.12 N#CCOC1CCCC1 597d114ba6fc77410ee8043a322c52e4 [0,1,0,1,0,0|1,0,1]=4 2191 B9R1.12 N#CCOC1CCCO1 2ebcb5039fc8ee710e32a9aecb9b5095 [0,1,0,1,0,0|0,0,1]=3 2192 B9R1.12 O=CCOC1CCCC1 a6adf3d3a9898d822d20d244584a5d22 [0,1,0,1,0,0|1,0,1]=4 2193 B9R1.12 O=CCOC1CCCO1 b12387ccaf578e9136cfdda5442c6ed5 [0,1,0,1,0,0|0,0,1]=3 2194 B9R1.12 OCCNC1CCCC1 9d5f875d5eb73651d88d7104c6380a67 [0,1,0,1,0,0|2,0,0]=4 2195 B9R1.12 OCNCC1CCCO1 7c0145316512c0419865b607461c30ec [0,1,0,1,0,0|2,0,0]=4 2196 B9R1.12 OCNC[C@@H]1CCCO1 31a00fae912ba8548490b36aab3d2de9 [0,1,0,1,0,0|2,0,0]=4 2197 B9R1.12 OCNC[C@H]1CCCO1 a07951c9126dda0c80fe24218d274d55 [0,1,0,1,0,0|2,0,0]=4 2198 B9R1.12 SCCNC1CCCC1 e2eae66ddbb4a3e20964edeb91df585c [0,1,0,1,0,0|2,0,0]=4 2199 B9R1.12 SCCOC1C=CCC1 1eb2ad05048032626f6f74234cb19e24 [0,1,0,1,0,0|1,0,1]=4 2200 B9R1.12 SCCOC1CCCC1 ce0001e3012cc122d56bcdd753ee7ed0 [0,1,0,1,0,0|1,0,0]=3 2201 B9R1.12 SCCOC1CCCO1 8dbb3fe838b96ce29ae716c47c93ca97 [0,1,0,1,0,0|0,0,0]=2 2202 B9R1.12 SCCOC1CCOC1 7f740465665f20b0792a792466876479 [0,1,0,1,0,0|2,0,0]=4 2203 B9R1.12 SCCOC1CCSC1 c9e1b9a7688f8cb2cacccbe59a226041 [0,1,0,1,0,0|2,0,0]=4 2204 B9R1.12 SCCO[C@@H]1CCOC1 adddeeee94ef4cca38e1010afa86a3d5 [0,1,0,1,0,0|2,0,0]=4 2205 B9R1.12 SCCO[C@@H]1CCSC1 368fa5abed56049a6b7218bcf19d6c94 [0,1,0,1,0,0|2,0,0]=4 2206 B9R1.12 SCCO[C@H]1CCOC1 5f532b6a8a75a3f549ab4d207d2f66e1 [0,1,0,1,0,0|2,0,0]=4 2207 B9R1.12 SCCO[C@H]1CCSC1 ef68dd8bb9cb76a99548e22f0083753d [0,1,0,1,0,0|2,0,0]=4 2208 B9R1.15 CC1COCCN1CF 401bd486c04b9a07bbe49b4540096330 [0,1,0,1,0,0|2,0,0]=4 2209 B9R1.15 CC1COCCN1CO 705303c7f5b77544a5d6b874419dd2f3 [0,1,0,1,0,0|2,0,0]=4 2210 B9R1.15 CCN1CCCCC1C 28e743f092b5d55e839b70e50dc82b80 [0,1,0,1,0,0|2,0,0]=4 2211 B9R1.15 CCN1CCCC[C@@H]1C d0a42fe80f49390641bb4a8e5e43e1b0 [0,1,0,1,0,0|2,0,0]=4 2212 B9R1.15 CCN1CCCC[C@H]1C 61ad9d261f1361a702e2f429d28a7219 [0,1,0,1,0,0|2,0,0]=4 2213 B9R1.15 CCN1CCOCC1C d988f162f59d8d529a05d21c4fa9e52e [0,1,0,1,0,0|1,0,0]=3 2214 B9R1.15 CCN1CCOC[C@@H]1C b796884dca54268fe3558fca50be7fce [0,1,0,1,0,0|1,0,0]=3 2215 B9R1.15 CCN1CCOC[C@H]1C b06b9b18794e3a242396ddab5337643c [0,1,0,1,0,0|1,0,0]=3 2216 B9R1.15 C[C@@H]1COCCN1CF 9c39bfec5c926b2ec842e40e26f0d812 [0,1,0,1,0,0|2,0,0]=4 2217 B9R1.15 C[C@@H]1COCCN1CO cc00a904ba5929613dd582b457b98630 [0,1,0,1,0,0|2,0,0]=4 2218 B9R1.15 C[C@H]1COCCN1CF bfb8a48aab5613f75bb3a939e4ce04c1 [0,1,0,1,0,0|2,0,0]=4 2219 B9R1.15 C[C@H]1COCCN1CO baf0a3d72ae51972944f2afc0599cf12 [0,1,0,1,0,0|2,0,0]=4 2220 B9R1.18 CCN[C@H]1C[C@@H]1COC 861d94dd2645fe0c74a317fb9f8d0fbf [0,1,0,1,0,0|2,0,0]=4 2221 B9R1.18 CCN[C@H]1C[C@H]1COC d7fd21f23497fe2567b4cb4aa20db5d4 [0,1,0,1,0,0|2,0,0]=4 2222 B9R1.22 CCN1C[C@@H](C[C@@H]1C)F 2f272957f93ca65e74ba201225ca8341 [0,1,0,1,0,0|2,0,0]=4 2223 B9R1.22 CCN1C[C@@H](C[C@@H]1C)O 70f763f5b4a3235d3e4f2d196f00ccfe [0,1,0,1,0,0|2,0,0]=4 2224 B9R1.22 CCN1C[C@@H](C[C@H]1C)F fc839872052aa3b4869ec105605f9120 [0,1,0,1,0,0|2,0,0]=4 2225 B9R1.22 CCN1C[C@@H](C[C@H]1C)O c4bd7f96b36acd5e820f06999a11cb79 [0,1,0,1,0,0|2,0,0]=4 2226 B9R1.22 CCN1C[C@H](C[C@@H]1C)F 174d9175aced951be988811649c138dc [0,1,0,1,0,0|2,0,0]=4 2227 B9R1.22 CCN1C[C@H](C[C@@H]1C)O aee11579e502fc16ec25d9210de9b942 [0,1,0,1,0,0|2,0,0]=4 2228 B9R1.22 CCN1C[C@H](C[C@H]1C)F facd70315e57bdcc931941af4932ffb4 [0,1,0,1,0,0|2,0,0]=4 2229 B9R1.22 CCN1C[C@H](C[C@H]1C)O ee2c873963ad0fba0e4d24d3860f441c [0,1,0,1,0,0|2,0,0]=4 2230 B9R1.27 CCN1C(CCC1C)C a8701ec13b1a6a9c287ab57d6026c0d3 [0,1,0,1,0,0|2,0,0]=4 2231 B9R1.27 CCN1[C@@H](CC[C@@H]1C)C 4ca5280658d273d6874be33d7325d27e [0,1,0,1,0,0|2,0,0]=4 2232 B9R1.27 CCN1[C@@H](CC[C@H]1C)C a050fc1f377542681e97de9418cdc9b2 [0,1,0,1,0,0|2,0,0]=4 2233 B9R1.27 CCN1[C@H](CC[C@@H]1C)C 2c3030df1d93f2ac741a77c1b6f87ebd [0,1,0,1,0,0|2,0,0]=4 2234 B9R1.33 CC1CCCC1OCF 32f68f74d298f1c114dbc7dd09935821 [0,1,0,1,0,0|2,0,0]=4 2235 B9R1.33 CC1CCCN1CCF 12b7237d6e74f93a90a7f00fa20599b9 [0,1,0,1,0,0|2,0,0]=4 2236 B9R1.33 CC1CCCN1CCO 281a8d841757602b2230f2ac436bc7ad [0,1,0,1,0,0|2,0,0]=4 2237 B9R1.33 CC1CCCN1CCS 55ded26cf38de8946ab4d87fc8bafa09 [0,1,0,1,0,0|2,0,0]=4 2238 B9R1.33 CC1SCCN1CCF 97a770abd78f2932fd867e97fcccbe4c [0,1,0,1,0,0|1,1,0]=4 2239 B9R1.33 CC1SCCN1CCO fa892f5f296f70ac492ea8141f9c901c [0,1,0,1,0,0|1,1,0]=4 2240 B9R1.33 CC1SCCN1CCS 8a3e18a04342e97ed8fdc11aa98e92ac [0,1,0,1,0,0|1,1,0]=4 2241 B9R1.33 CCCN1CCCC1C 195e50180963f808391ad382056319a1 [0,1,0,1,0,0|2,0,0]=4 2242 B9R1.33 CCCN1CCC[C@@H]1C b67a37eaaf46cb0a5ebdfee423e623bf [0,1,0,1,0,0|2,0,0]=4 2243 B9R1.33 CCCN1CCC[C@H]1C 560044d8f08030c58863ec3801769700 [0,1,0,1,0,0|2,0,0]=4 2244 B9R1.33 CCCN1CCSC1C ea064f2ba27cdd3274749fb2bad6042a [0,1,0,1,0,0|1,1,0]=4 2245 B9R1.33 CCNC1CCCC1O 4082360f4f038038f347b5d184fd111c [0,1,0,1,0,0|2,0,0]=4 2246 B9R1.33 CCN[C@@H]1CCC[C@@H]1O 7fc0c82c19f54fdb7ff37f6b41c3ad62 [0,1,0,1,0,0|2,0,0]=4 2247 B9R1.33 CCN[C@@H]1CCC[C@H]1O 7200f16a31f279f976985efc0dd1963a [0,1,0,1,0,0|2,0,0]=4 2248 B9R1.33 CCN[C@H]1CCC[C@@H]1O 7e9e41c880fd9b1705872b4570e9e9a4 [0,1,0,1,0,0|2,0,0]=4 2249 B9R1.33 CCN[C@H]1CCC[C@H]1O b25a1a46741ef202e0fa8a6fbd0108ff [0,1,0,1,0,0|2,0,0]=4 2250 B9R1.33 CCOC1CCC=C1Br 2ca22966d75696c196cb5ae7056941e2 [0,1,0,1,0,0|1,0,1]=4 2251 B9R1.33 CCOC1CCCC1=O 19fd59f8b378305519536cfc5c950157 [0,1,0,1,0,0|1,0,0]=3 2252 B9R1.33 CCOC1CCCC1C e450d37d5269371ee21c4d9099cf78f8 [0,1,0,1,0,0|1,0,0]=3 2253 B9R1.33 CCOC1CCNC1=O 8fdacff95d4ce2d1c3d495fa66f75dd5 [0,1,0,1,0,0|2,0,0]=4 2254 B9R1.33 CCOC1COCC1C 147522ca7d24e1d1d53bf1d5d356c59c [0,1,0,1,0,0|2,0,0]=4 2255 B9R1.33 CCOC1COCC1F 1be8c95ac5203307ebfbc5cb41ddb9d9 [0,1,0,1,0,0|2,0,0]=4 2256 B9R1.33 CCO[C@@H]1CCC[C@@H]1C 48c6c8a377684215533cce2f3b7a040e [0,1,0,1,0,0|1,0,0]=3 2257 B9R1.33 CCO[C@@H]1CCC[C@H]1C 8546dfd57bc5bf5d07eccd29f6ea3a23 [0,1,0,1,0,0|1,0,0]=3 2258 B9R1.33 CCO[C@@H]1CCC[C@H]1F 72550d5d818c2295f7ce45f538a74c92 [0,1,0,1,0,0|1,0,0]=3 2259 B9R1.33 CCO[C@@H]1CCNC1=O d615de1523fb9db14752de0db1c501b4 [0,1,0,1,0,0|2,0,0]=4 2260 B9R1.33 CCO[C@@H]1COC[C@@H]1C cad903376c9110d1a0e3b4b2f5442a98 [0,1,0,1,0,0|2,0,0]=4 2261 B9R1.33 CCO[C@@H]1COC[C@H]1F 9241d15680ae57002c68fda30c37c1df [0,1,0,1,0,0|2,0,0]=4 2262 B9R1.33 CCO[C@H]1CCC[C@@H]1C 572fc68e8a7c8a7220d19d5da78e401e [0,1,0,1,0,0|1,0,0]=3 2263 B9R1.33 CCO[C@H]1CCC[C@H]1C 292472170f80aa7cd37f5df4f5f5c571 [0,1,0,1,0,0|1,0,0]=3 2264 B9R1.33 CCO[C@H]1CCNC1=O 5eaae9c583183b85f65e479b22e5ff87 [0,1,0,1,0,0|2,0,0]=4 2265 B9R1.33 CCO[C@H]1COC[C@@H]1C 8398dd22fb9a2a0e221c13d09ce3cc6f [0,1,0,1,0,0|2,0,0]=4 2266 B9R1.33 CCO[C@H]1COC[C@H]1C ad6ad00d2412a28f40d20c037f57b7f1 [0,1,0,1,0,0|2,0,0]=4 2267 B9R1.33 CCO[C@H]1COC[C@H]1F a6fc516efbab22338c5de000c15b84ca [0,1,0,1,0,0|2,0,0]=4 2268 B9R1.33 COCN1CCCC1C 2e2fa9caa80c65622db57e92a91185ed [0,1,0,1,0,0|2,0,0]=4 2269 B9R1.33 COCN1CCC[C@@H]1C 67a823fd66504e3cca4e93ae80ae1760 [0,1,0,1,0,0|2,0,0]=4 2270 B9R1.33 COCN1CCC[C@H]1C b841d9c1194ced1813dd800d8e308d6a [0,1,0,1,0,0|2,0,0]=4 2271 B9R1.33 COCN1CCSC1C d47eb5a65cd011871d3884fb15168de0 [0,1,0,1,0,0|1,1,0]=4 2272 B9R1.33 CSCN1CCCC1C 9773c61a0fdf8f7356d24b34ba0aeb2f [0,1,0,1,0,0|2,0,0]=4 2273 B9R1.33 CSCN1CCC[C@@H]1C 28cecc7f12df04770f70483f402bcb1f [0,1,0,1,0,0|2,0,0]=4 2274 B9R1.33 CSCN1CCC[C@H]1C 603856325cce78a66ae27a8db55af2c1 [0,1,0,1,0,0|2,0,0]=4 2275 B9R1.33 CSCN1CCSC1C 6333dd9d1e6f0f0f185b5cdcb5d93a4a [0,1,0,1,0,0|1,1,0]=4 2276 B9R1.33 C[C@@H]1CCCN1CCF ba343820014f9fee9c4f8a1673d15691 [0,1,0,1,0,0|2,0,0]=4 2277 B9R1.33 C[C@@H]1CCCN1CCO 09597fc03649e0133d260389224063ff [0,1,0,1,0,0|2,0,0]=4 2278 B9R1.33 C[C@@H]1CCCN1CCS 5f95e783328a7d9dfc390e65d01eaf3a [0,1,0,1,0,0|2,0,0]=4 2279 B9R1.33 C[C@@H]1CCC[C@@H]1OCF 22b3e84f2ed8c44061bfce0789720234 [0,1,0,1,0,0|2,0,0]=4 2280 B9R1.33 C[C@@H]1CCC[C@H]1OCF 055ee3d509f14e26b1cd85bd2abbeffb [0,1,0,1,0,0|2,0,0]=4 2281 B9R1.33 C[C@H]1CCCN1CCF d6e2f6e32e09d6c9d06146a526765e88 [0,1,0,1,0,0|2,0,0]=4 2282 B9R1.33 C[C@H]1CCCN1CCO d9a463a7c3fe8fd3082bc4ccbe366d3c [0,1,0,1,0,0|2,0,0]=4 2283 B9R1.33 C[C@H]1CCCN1CCS a6d3a1e77e4d3a5efdec971b928d388b [0,1,0,1,0,0|2,0,0]=4 2284 B9R1.33 C[C@H]1CCC[C@@H]1OCF 23b83a359e8c77c1ff60bdac1439e1a3 [0,1,0,1,0,0|2,0,0]=4 2285 B9R1.33 C[C@H]1CCC[C@H]1OCF 59a7f5726623d931b860afe2ddbbde2f [0,1,0,1,0,0|2,0,0]=4 2286 B9R1.33 FCO[C@@H]1CCC[C@H]1F 813555c6d841e20a730e4a6773476ea6 [0,1,0,1,0,0|2,0,0]=4 2287 B9R1.33 O=C1CCCC1OCF b783fc93d29df7b700fa1dae2c7b2018 [0,1,0,1,0,0|2,0,0]=4 2288 B9R1.58 CCCC1CN(C1)CC 72a5d9f3855da4f4e619dd029a1246ff [0,1,0,1,0,0|2,0,0]=4 2289 B9R1.58 CCN1CC(C1)OCF 7409e7e5ad3714e64571708c891e2e46 [0,1,0,1,0,0|2,0,0]=4 2290 B9R1.58 CCNC1CC(C1)CO ea4ac855be1a3d26dbcbc017e2465ee8 [0,1,0,1,0,0|2,0,0]=4 2291 B9R1.58 CCNC1CC(C1)OC 7c6f89943717b9ec1d5248005135e7db [0,1,0,1,0,0|2,0,0]=4 2292 B9R1.58 CCNC1CN(C1)CC 7298e7a0cc1b99fbc35d85fbf147f949 [0,1,0,1,0,0|2,0,0]=4 2293 B9R1.58 CCN[C@H]1C[C@@H](C1)CO 0dbd203ea206054c9a2d64c99a4a0eb0 [0,1,0,1,0,0|2,0,0]=4 2294 B9R1.58 CCN[C@H]1C[C@@H](C1)OC 0fbe6d02c38c8427dbabcdb64eb60ad4 [0,1,0,1,0,0|2,0,0]=4 2295 B9R1.58 CCN[C@H]1C[C@H](C1)CO 5cb8b8907db9931e9b7154e8c3a5ce9b [0,1,0,1,0,0|2,0,0]=4 2296 B9R1.58 CCN[C@H]1C[C@H](C1)OC 36d31bf3c2eda94b3e8e760d80a175f2 [0,1,0,1,0,0|2,0,0]=4 2297 B9R1.58 CCOC1CC(C1)C#N 02da739d53b1efbcb130a8418cd6430e [0,1,0,1,0,0|1,0,1]=4 2298 B9R1.58 CCOC1CC(C1)OC 852734456ad5ebab3aae4b7518d89ed0 [0,1,0,1,0,0|1,0,0]=3 2299 B9R1.58 CCOC1CN(C1)CC 70589d13f5ed8326500274429d159396 [0,1,0,1,0,0|1,0,0]=3 2300 B9R1.58 CCOC1CN(C1)CF 84f9ce4fc5688715688b1678fdb4b98d [0,1,0,1,0,0|2,0,0]=4 2301 B9R1.58 CCOC1CN(C1)CO 973f1b82300e273ecc0b1c5e6326a8c2 [0,1,0,1,0,0|2,0,0]=4 2302 B9R1.58 CCO[C@H]1C[C@@H](C1)C#N 0240eff38bdd5e3f5b3df8dbff9fd9cb [0,1,0,1,0,0|1,0,1]=4 2303 B9R1.58 CCO[C@H]1C[C@@H](C1)OC 30201138ce654d62f906aa8ae8c84d2b [0,1,0,1,0,0|1,0,0]=3 2304 B9R1.58 CCO[C@H]1C[C@H](C1)C#N 9f4bed5261d05aacb91ce0a0840e94ab [0,1,0,1,0,0|1,0,1]=4 2305 B9R1.58 CCO[C@H]1C[C@H](C1)CF c740fef00fbe644db449185ba8ac0728 [0,1,0,1,0,0|1,0,0]=3 2306 B9R1.58 CCO[C@H]1C[C@H](C1)OC 310b52035eaa4fb7160fd4f4357eaa7a [0,1,0,1,0,0|1,0,0]=3 2307 B9R1.58 COC1CC(C1)OCF e9c25cef5a58c28bf7e09f8020aae956 [0,1,0,1,0,0|2,0,0]=4 2308 B9R1.58 CO[C@H]1C[C@@H](C1)OCF 98213300a87834bdf24a9336b76c9259 [0,1,0,1,0,0|2,0,0]=4 2309 B9R1.58 CO[C@H]1C[C@H](C1)OCF 3e28d41e232f83478060cfde5e2ea375 [0,1,0,1,0,0|2,0,0]=4 2310 B9R1.58 FCO[C@H]1C[C@H](C1)CF e8dd71c2abf487ea4b1128756582f128 [0,1,0,1,0,0|2,0,0]=4 2311 B9R1.73 CC(OCF)C1CCC1 06ac4485af71ed5ecf6e3ed79ce57e2a [0,1,0,1,0,0|2,0,0]=4 2312 B9R1.73 CC(OCF)C1COC1 90544fd8f21482e62c6eef355d6c8cdc [0,1,0,1,0,0|2,0,0]=4 2313 B9R1.73 CCCC(C)N1CCC1 4c26ed78ed095bc5441a0a9312ed5f1b [0,1,0,1,0,0|2,0,0]=4 2314 B9R1.73 CCNC(C)C1COC1 26186a94bc11a7fb9766761f3b6d2b34 [0,1,0,1,0,0|2,0,0]=4 2315 B9R1.73 CCN[C@@H](C)C1COC1 28b5530b5d6f3d88a65b7118f56c0310 [0,1,0,1,0,0|2,0,0]=4 2316 B9R1.73 CCN[C@H](C)C1COC1 d210812d23f105643788a43d75f5eda4 [0,1,0,1,0,0|2,0,0]=4 2317 B9R1.73 CCOC(C)C1CCC1 0b24261bffd5879ed99c8dff6e3e7277 [0,1,0,1,0,0|1,0,0]=3 2318 B9R1.73 CCOC(C)C1COC1 e413ceb10926d70bb434b26211416d20 [0,1,0,1,0,0|1,0,0]=3 2319 B9R1.73 CCO[C@@H](C)C1CCC1 8e815a4884bd12b4bd9f77f0cc4082b1 [0,1,0,1,0,0|1,0,0]=3 2320 B9R1.73 CCO[C@@H](C)C1COC1 699b40fef89d9c3f89bc26e499adb3ba [0,1,0,1,0,0|1,0,0]=3 2321 B9R1.73 CCO[C@H](C)C1COC1 cd5b53eb791f531e06d9a84a25a3576e [0,1,0,1,0,0|1,0,0]=3 2322 B9R1.73 C[C@@H](OCF)C1COC1 629dc713f30588f0ffcb17db670230ba [0,1,0,1,0,0|2,0,0]=4 2323 B9R1.73 C[C@H](OCF)C1CCC1 a9c582dd064a7b048c1e71613faf2512 [0,1,0,1,0,0|2,0,0]=4 2324 B9R1.73 C[C@H](OCF)C1COC1 fe876a4920b0a158a45d483be8c7b10d [0,1,0,1,0,0|2,0,0]=4 2325 B9R1.75 C/C=C/C(C)OC1CC1 1dc32fba5cce469125711c96f9538f71 [0,1,0,1,0,0|1,0,1]=4 2326 B9R1.75 CC#CC(C)OC1CC1 98e65b3d7af4b46a266ba1f28a0b7ec7 [0,1,0,1,0,0|1,0,1]=4 2327 B9R1.75 CC(CC1CC1)OCF a4cdbc285fe130812cfbb0eed0b3cd90 [0,1,0,1,0,0|2,0,0]=4 2328 B9R1.75 CC=CC(C)OC1CC1 c61d5fc3553e9f6bb11e338a7e5709c1 [0,1,0,1,0,0|1,0,1]=4 2329 B9R1.75 CCCC(C)NC1CC1 59d9e41d0afba142951a0844213b9acd [0,1,0,1,0,0|2,0,0]=4 2330 B9R1.75 CCCC(C)OC1CC1 b1f4637142c30b48a76537455d4b0138 [0,1,0,1,0,0|1,0,0]=3 2331 B9R1.75 CCC[C@@H](C)OC1CC1 0dcc6a082d7178b7b1199efbdbf4cc88 [0,1,0,1,0,0|1,0,0]=3 2332 B9R1.75 CCC[C@H](C)NC1CC1 86c36cffa76e59811a3ffa4e907c45b6 [0,1,0,1,0,0|2,0,0]=4 2333 B9R1.75 CCC[C@H](C)OC1CC1 9066b0ec22bca4db13acf59cd248c738 [0,1,0,1,0,0|1,0,0]=3 2334 B9R1.75 CCOC(C)CC1CC1 0f29d538d0c6398a5b46e339b080cd7b [0,1,0,1,0,0|1,0,0]=3 2335 B9R1.75 COCC(C)OC1CC1 9b2a784a681ee56e73e5023d92d79edc [0,1,0,1,0,0|2,0,0]=4 2336 B9R1.75 COC[C@@H](C)OC1CC1 b116d1313fd87f968c2a8b37e36ebbce [0,1,0,1,0,0|2,0,0]=4 2337 B9R1.75 COC[C@H](C)OC1CC1 5f1722c0a980189ff0638886519898bd [0,1,0,1,0,0|2,0,0]=4 2338 B9R1.75 CSCC(C)OC1CC1 b64542fe6893e9176959a20e42724f1b [0,1,0,1,0,0|2,0,0]=4 2339 B9R1.100 C#CCOC(C)C1CC1 6b47c093526a830f67ba62a6a84b04a3 [0,1,0,1,0,0|1,0,1]=4 2340 B9R1.100 C#CCO[C@@H](C)C1CC1 2d1cb20dd377f40267ee1c3a83087abb [0,1,0,1,0,0|1,0,1]=4 2341 B9R1.100 C#CCO[C@H](C)C1CC1 d2cb496ae4652fe9df9e6cf471d7cd57 [0,1,0,1,0,0|1,0,1]=4 2342 B9R1.100 C=CCOC(C)C1CC1 9a6cbd97c9e1f2a4b8d64ae7ab72f097 [0,1,0,1,0,0|1,0,1]=4 2343 B9R1.100 C=CCO[C@@H](C)C1CC1 1c46d104cc479486299238cfd4a93bb4 [0,1,0,1,0,0|1,0,1]=4 2344 B9R1.100 C=CCO[C@H](C)C1CC1 2b5f0167fe2fc0c993405a35fcf166be [0,1,0,1,0,0|1,0,1]=4 2345 B9R1.100 CC(COCF)C1CC1 8f0eea53c2b550aa3e5f07bd7525135f [0,1,0,1,0,0|2,0,0]=4 2346 B9R1.100 CC(NCCBr)C1CC1 456afa1da6d1e176198845ee7c353456 [0,1,0,1,0,0|2,0,0]=4 2347 B9R1.100 CC(NCCF)C1CC1 56c345932addc4b89fbcc989c10daa62 [0,1,0,1,0,0|2,0,0]=4 2348 B9R1.100 CC(NCCI)C1CC1 929b8aa01715faeec650b0ab9268fca4 [0,1,0,1,0,0|2,0,0]=4 2349 B9R1.100 CC(NCCO)C1CC1 a2708a27bd8bd66beab16109b29a9e30 [0,1,0,1,0,0|2,0,0]=4 2350 B9R1.100 CC(NCCS)C1CC1 cfec44f8a366ca670c44bc92ed4f3fb1 [0,1,0,1,0,0|2,0,0]=4 2351 B9R1.100 CC(OCC#N)C1CC1 603c156c31bd37072b77acdaf5097d44 [0,1,0,1,0,0|1,0,1]=4 2352 B9R1.100 CC(OCC=O)C1CC1 a995a7bf5ed6a04c16db86dd7be93416 [0,1,0,1,0,0|1,0,1]=4 2353 B9R1.100 CC(OCCF)C1CC1 17baad9e258a69972f6b86df34e5eb0e [0,1,0,1,0,0|1,0,0]=3 2354 B9R1.100 CC(OCCS)C1CC1 b54389b4290e830ad3ea0bc0a2134d87 [0,1,0,1,0,0|1,0,0]=3 2355 B9R1.100 CCCNC(C)C1CC1 1ab2b48ebbabbb3c1036eb5dcc71c97f [0,1,0,1,0,0|2,0,0]=4 2356 B9R1.100 CCCN[C@@H](C)C1CC1 fb013da690a9d55e6f212dcab3db39bd [0,1,0,1,0,0|2,0,0]=4 2357 B9R1.100 CCCN[C@H](C)C1CC1 6e72fd4335321aaf41501b048439c9a0 [0,1,0,1,0,0|2,0,0]=4 2358 B9R1.100 CCCOC(C)C1CC1 cabeb506d8c9107ceabfea0d3ebc353e [0,1,0,1,0,0|1,0,0]=3 2359 B9R1.100 CCCO[C@@H](C)C1CC1 d83db049aaa490bbd28b146c534539ba [0,1,0,1,0,0|1,0,0]=3 2360 B9R1.100 CCCO[C@H](C)C1CC1 530cbf6a3ee2c10e9fe25fe4d64090e4 [0,1,0,1,0,0|1,0,0]=3 2361 B9R1.100 CCOCC(C)C1CC1 e8dca310ad87f2364ec52a096c57e25e [0,1,0,1,0,0|1,0,0]=3 2362 B9R1.100 CCOCN(C)C1CC1 4a787ab19bfab508c910280005273d8f [0,1,0,1,0,0|2,0,0]=4 2363 B9R1.100 COCN[C@@H](C)C1CC1 74af733860cb86f826c9514f1040f5d1 [0,1,0,1,0,0|2,0,0]=4 2364 B9R1.100 COCN[C@H](C)C1CC1 49d30a25a5d36a9d9e62b50c0b571b30 [0,1,0,1,0,0|2,0,0]=4 2365 B9R1.100 COCOC(C)C1CC1 d368ce75e08f658a078cace62a60053c [0,1,0,1,0,0|1,0,0]=3 2366 B9R1.100 COCO[C@@H](C)C1CC1 dbb2e7e8260a415fc532585f61c718a4 [0,1,0,1,0,0|1,0,0]=3 2367 B9R1.100 COCO[C@H](C)C1CC1 e84e83bf459af99e234ab08066ce7e69 [0,1,0,1,0,0|1,0,0]=3 2368 B9R1.100 CSCN[C@@H](C)C1CC1 3c53ddcc63a20bb017fa2f6b7c4af9ce [0,1,0,1,0,0|2,0,0]=4 2369 B9R1.100 CSCN[C@H](C)C1CC1 841005db96207356fd22af4894ac28da [0,1,0,1,0,0|2,0,0]=4 2370 B9R1.100 CSCOC(C)C1CC1 d7ac0ec06ce68620ff7038abfacbd556 [0,1,0,1,0,0|1,0,0]=3 2371 B9R1.100 CSCO[C@@H](C)C1CC1 e395b84ab6578c2e60c89bc13423d079 [0,1,0,1,0,0|1,0,0]=3 2372 B9R1.100 CSCO[C@H](C)C1CC1 b098901d85ca55b29040ca644f49581d [0,1,0,1,0,0|1,0,0]=3 2373 B9R1.100 C[C@@H](NCCF)C1CC1 48d6ae02d9ddf7bd60e7b46dc7307754 [0,1,0,1,0,0|2,0,0]=4 2374 B9R1.100 C[C@@H](NCCO)C1CC1 b224e956364cea1a098a03f0942bcee4 [0,1,0,1,0,0|2,0,0]=4 2375 B9R1.100 C[C@@H](NCCS)C1CC1 2db7da695d42614888fe1d86f3970795 [0,1,0,1,0,0|2,0,0]=4 2376 B9R1.100 C[C@@H](OCC#N)C1CC1 dfdc85c6196c6b5e78c73aae75a7dfb1 [0,1,0,1,0,0|1,0,1]=4 2377 B9R1.100 C[C@@H](OCC=O)C1CC1 a5c13a00b54bfe529f6d1090f68fe2c2 [0,1,0,1,0,0|1,0,1]=4 2378 B9R1.100 C[C@@H](OCCF)C1CC1 7772debf17e7f86c78aafe5c0d7a1270 [0,1,0,1,0,0|1,0,0]=3 2379 B9R1.100 C[C@@H](OCCS)C1CC1 f7f2ad7160719e237a684c3991afce8d [0,1,0,1,0,0|1,0,0]=3 2380 B9R1.100 C[C@H](NCCF)C1CC1 56d299340946c8e29a2fe4f4595cc63b [0,1,0,1,0,0|2,0,0]=4 2381 B9R1.100 C[C@H](NCCO)C1CC1 580ab0fe6ce718066c7d289268f11ad3 [0,1,0,1,0,0|2,0,0]=4 2382 B9R1.100 C[C@H](NCCS)C1CC1 e60c0cbfd2643504501bca1f316b2ab5 [0,1,0,1,0,0|2,0,0]=4 2383 B9R1.100 C[C@H](OCC#N)C1CC1 f6d86ee39fbf18cb8e044fa7bd22987b [0,1,0,1,0,0|1,0,1]=4 2384 B9R1.100 C[C@H](OCC=O)C1CC1 d2d08f0ad2315b3b7df27213b150e5e4 [0,1,0,1,0,0|1,0,1]=4 2385 B9R1.100 C[C@H](OCCF)C1CC1 c3914ca3896d27f62bae9663319bed39 [0,1,0,1,0,0|1,0,0]=3 2386 B9R1.100 C[C@H](OCCS)C1CC1 e8f842ed5781a17d5902f7abe6d58916 [0,1,0,1,0,0|1,0,0]=3 2387 B9R1.117 CC1(CCC1)COCF bab4fa8910c4411159bda49a3adcbf2b [0,1,0,1,0,0|2,0,0]=4 2388 B9R1.117 CC1(CCC1)NCCF 38bfa6197991ac0050df2dee7a9553ca [0,1,0,1,0,0|2,0,0]=4 2389 B9R1.117 CC1(CCC1)NCCO 96a79257814d8ac602a9fccb3a4bd479 [0,1,0,1,0,0|2,0,0]=4 2390 B9R1.117 CC1(CCC1)NCCS 123e715fde507a5e31a1529457c0208f [0,1,0,1,0,0|2,0,0]=4 2391 B9R1.117 CC1(CCO1)CNCF 01f22cd2958c3bb099faf4d85f60d4b5 [0,1,0,1,0,0|2,0,0]=4 2392 B9R1.117 CC1(CCO1)CNCO c2ee4ba3b3eac6e8dbc29402671e4851 [0,1,0,1,0,0|2,0,0]=4 2393 B9R1.117 CC1(CCO1)COCF 6b8ac98a1eec31f9c76a05a20e412297 [0,1,0,1,0,0|1,0,0]=3 2394 B9R1.117 CCCNC1(CCC1)C a5a29c38633bb4617ebbcfeb63b78b84 [0,1,0,1,0,0|2,0,0]=4 2395 B9R1.117 CCNCC1(CCO1)C afb2a2deed4aa574c9a19bace75deafb [0,1,0,1,0,0|1,0,0]=3 2396 B9R1.117 CCNC[C@@]1(CCO1)C b5181aecf77d24e415f446a88008254d [0,1,0,1,0,0|1,0,0]=3 2397 B9R1.117 CCOCC1(CCC1)C ff3247e529dc7f516febe4c37d134061 [0,1,0,1,0,0|1,0,0]=3 2398 B9R1.117 CCOCC1(CCC1)F 779cf4a7cbd429bf51d1dd68b76e8aed [0,1,0,1,0,0|2,0,0]=4 2399 B9R1.117 CCOCC1(CCO1)C ccd27a204ec34f23d7f21b9c80585ee8 [0,1,0,1,0,0|0,0,0]=2 2400 B9R1.117 CCOCC1(COC1)C 56057894ea5d4757c7b1db274c307740 [0,1,0,1,0,0|2,0,0]=4 2401 B9R1.117 CCOCC1(CSC1)C 51c95eb73f4f4b442b8c64ec50e7b7d2 [0,1,0,1,0,0|2,0,0]=4 2402 B9R1.117 CCOC[C@@]1(CCO1)C d395cd5564dd83c42d2660c6ce3b2786 [0,1,0,1,0,0|0,0,0]=2 2403 B9R1.117 CCOC[C@]1(CCO1)C e2b63aaef9b04a80eedf8ab9fd72001d [0,1,0,1,0,0|0,0,0]=2 2404 B9R1.117 COCNC1(CCC1)C 388f7ba937cd29ddb40ab3fc1e5a2674 [0,1,0,1,0,0|2,0,0]=4 2405 B9R1.117 CSCNC1(CCC1)C d3221a600268258ccc1a8b2e5a897384 [0,1,0,1,0,0|2,0,0]=4 2406 B9R1.117 C[C@@]1(CCO1)COCF 058c6172c4845b12e9b81d575cb71c74 [0,1,0,1,0,0|1,0,0]=3 2407 B9R1.117 C[C@]1(CCO1)CNCF 13366f213576cad184b0cdebc9e54399 [0,1,0,1,0,0|2,0,0]=4 2408 B9R1.117 C[C@]1(CCO1)CNCO cef46b5e322cc749215f2bc8758a1f83 [0,1,0,1,0,0|2,0,0]=4 2409 B9R1.117 C[C@]1(CCO1)COCF 67f8a00af6846661ed298eba0e2cfbc0 [0,1,0,1,0,0|1,0,0]=3 2410 B9R1.134 CC1(CCOC1)NCF cc43f4edb052249a8eeb3c1277760b82 [0,1,0,1,0,0|2,0,0]=4 2411 B9R1.134 CC1(CCOC1)NCO ef653262e1f3d5a3f61b701d9be5010c [0,1,0,1,0,0|2,0,0]=4 2412 B9R1.134 CCNC1(CCCC1)C ba55fd5f97c1b7f2273cef81ea836f7f [0,1,0,1,0,0|2,0,0]=4 2413 B9R1.134 CCNC1(CCOC1)C 3404474fccfa437306712c3e7b9ff412 [0,1,0,1,0,0|1,0,0]=3 2414 B9R1.154 CC1CC(N1CCF)C e7d5cb5355602202149590ff94d6199c [0,1,0,1,0,0|2,0,0]=4 2415 B9R1.154 CC1CC(N1CCO)C f73e93c47eae171f392aa9569800d443 [0,1,0,1,0,0|2,0,0]=4 2416 B9R1.154 CC1CC(N1CCS)C 6ec6f79d9cd69d6f88b7ade888fa6eee [0,1,0,1,0,0|2,0,0]=4 2417 B9R1.154 CCCN1C(CC1C)C d1c29f720bb91ef579774d900a2674ad [0,1,0,1,0,0|2,0,0]=4 2418 B9R1.154 CCCN1[C@@H](C[C@@H]1C)C ea53a6ef50fcd7ae04fadab82bca398b [0,1,0,1,0,0|2,0,0]=4 2419 B9R1.154 CCCN1[C@@H](C[C@H]1C)C 11f45f43d0037b6610ccab88a948b02b [0,1,0,1,0,0|2,0,0]=4 2420 B9R1.154 CCCN1[C@H](C[C@@H]1C)C 4fd9ffb5808db806f50ab3ef17cc9950 [0,1,0,1,0,0|2,0,0]=4 2421 B9R1.154 COCN1C(CC1C)C 95483efbd3c561533517bafcabd6a9f0 [0,1,0,1,0,0|2,0,0]=4 2422 B9R1.154 COCN1[C@@H](C[C@@H]1C)C 23bf3fd7944116d08229c271b817c35a [0,1,0,1,0,0|2,0,0]=4 2423 B9R1.154 COCN1[C@@H](C[C@H]1C)C f3e4ba2e811084140532f9e2bb136767 [0,1,0,1,0,0|2,0,0]=4 2424 B9R1.154 COCN1[C@H](C[C@@H]1C)C 63ebce982c4019ba31ec89060f77d6b2 [0,1,0,1,0,0|2,0,0]=4 2425 B9R1.154 CSCN1C(CC1C)C eb6751aa04e36cba5276c1193170c2a2 [0,1,0,1,0,0|2,0,0]=4 2426 B9R1.154 CSCN1[C@@H](C[C@@H]1C)C e7da3ef15ee61e1eba59ee49d0b0a61d [0,1,0,1,0,0|2,0,0]=4 2427 B9R1.154 CSCN1[C@@H](C[C@H]1C)C 20987dfb97580ae46d7010d8ba8945e5 [0,1,0,1,0,0|2,0,0]=4 2428 B9R1.154 CSCN1[C@H](C[C@@H]1C)C 1b306a8c7936076c83616117384f1f81 [0,1,0,1,0,0|2,0,0]=4 2429 B9R1.154 C[C@@H]1C[C@@H](N1CCF)C 3e7ed274e4d2bc08a407d436414bfeb6 [0,1,0,1,0,0|2,0,0]=4 2430 B9R1.154 C[C@@H]1C[C@@H](N1CCO)C b48c2d47a4c0f580824c500acea71a13 [0,1,0,1,0,0|2,0,0]=4 2431 B9R1.154 C[C@@H]1C[C@@H](N1CCS)C fc3e90a8ceb057dbc085f9f182a54fa1 [0,1,0,1,0,0|2,0,0]=4 2432 B9R1.154 C[C@@H]1C[C@H](N1CCF)C 2f99acd2a8c21d1c132a6f89f4819908 [0,1,0,1,0,0|2,0,0]=4 2433 B9R1.154 C[C@@H]1C[C@H](N1CCO)C 65c5c033225c43374951d48ff15f0d42 [0,1,0,1,0,0|2,0,0]=4 2434 B9R1.154 C[C@@H]1C[C@H](N1CCS)C 827f53560c341da87377d5829d42ef3b [0,1,0,1,0,0|2,0,0]=4 2435 B9R1.154 C[C@H]1C[C@@H](N1CCF)C dc2ea325c0a3e4753b1eebf5898ed6f1 [0,1,0,1,0,0|2,0,0]=4 2436 B9R1.154 C[C@H]1C[C@@H](N1CCO)C 8d2ffb6b3a5c00c14cd5c069a2b86bd1 [0,1,0,1,0,0|2,0,0]=4 2437 B9R1.154 C[C@H]1C[C@@H](N1CCS)C 9d9243023687b58b8c1dfdaee834ecc8 [0,1,0,1,0,0|2,0,0]=4 2438 B9R1.191 CCOCC1(CC1F)C ec611e08e38c1a849a6ada7331e039fc [0,1,0,1,0,0|2,0,0]=4 2439 B9R1.11 CCN(C)C1CCCC1 c7af1fcad7f3c33137eb82e3462c8cce [0,1,0,1,0,0|2,0,0]=4 2440 B9R1.74 CC(OCF)C1(CC1)C 45f73920b44acda97b1757ca0de57fc4 [0,1,0,1,0,0|2,0,0]=4 2441 B9R1.74 CCNC(C)C1(CC1)O 8a4a813d1f373ac7dafa709cac3f4e59 [0,1,0,1,0,0|2,0,0]=4 2442 B9R1.74 CCN[C@@H](C)C1(CC1)O e91fca6a8bd9f8e7b617268f12fbe613 [0,1,0,1,0,0|2,0,0]=4 2443 B9R1.74 CCOC(C)C1(CC1)C eb205578dd021f1dac981a855092618b [0,1,0,1,0,0|1,0,0]=3 2444 B9R1.101 CCN(C)C(C)C1CC1 3192b4a604609157f86040fb6f5eff58 [0,1,0,1,0,0|2,0,0]=4 2445 B9R1.132 CCN1CCC(C1C)O 5df9989e2977cf675c27c93487f16e6a [0,1,0,1,0,0|2,0,0]=4 2446 B9R1.132 CCN1CC[C@@H]([C@@H]1C)O 0915ab6dc39d881d8d1d32d4f65e7edb [0,1,0,1,0,0|2,0,0]=4 2447 B9R1.132 CCN1CC[C@H]([C@H]1C)O a9f549cdc7fcccd60d8aa8e684a054d4 [0,1,0,1,0,0|2,0,0]=4 2448 B9R1.13 CC(C)NC1CCCC1 d4db31014285597932e2ad89590afee6 [0,1,0,1,0,0|2,0,0]=4 2449 B9R1.13 CC(C)OC1C=CCC1 efb9e40ecea5a44e08bbcb1f691b8b79 [0,1,0,1,0,0|1,0,1]=4 2450 B9R1.13 CC(C)OC1CCCC1 215fe9a68b5f8765bce60b7c8e66fcb4 [0,1,0,1,0,0|1,0,0]=3 2451 B9R1.13 CC(C)OC1CCCO1 af2408e49f3115bccbf657c1fe05b160 [0,1,0,1,0,0|0,0,0]=2 2452 B9R1.13 CC(C)OC1CCOC1 feefba39d1416c9edec235448819b115 [0,1,0,1,0,0|2,0,0]=4 2453 B9R1.13 CC(C)OC1CCSC1 1f2f010f9f2374295df189a9be5fa659 [0,1,0,1,0,0|2,0,0]=4 2454 B9R1.13 CC(C)O[C@@H]1CCOC1 2c58116cca654ae2981c065d47ea6a30 [0,1,0,1,0,0|2,0,0]=4 2455 B9R1.13 CC(C)O[C@@H]1CCSC1 195fa7f05861cf68754ecd9e3cb16cb3 [0,1,0,1,0,0|2,0,0]=4 2456 B9R1.13 CC(C)O[C@H]1CCOC1 14d05283428f544dfbe3bb8eeb5b6a4d [0,1,0,1,0,0|2,0,0]=4 2457 B9R1.13 CC(C)O[C@H]1CCSC1 916e317264db675ccef5a40312568be1 [0,1,0,1,0,0|2,0,0]=4 2458 B9R1.41 CC(C)N1CCCC1C 537cf817e9d3dbf7f58e1c5af7231e2e [0,1,0,1,0,0|2,0,0]=4 2459 B9R1.41 CC(C)N1CCC[C@@H]1C 4976fffa125619fdc7627e9cab0a1650 [0,1,0,1,0,0|2,0,0]=4 2460 B9R1.41 CC(C)N1CCC[C@H]1C a83c91788ff696be69cccc267f06e2d4 [0,1,0,1,0,0|2,0,0]=4 2461 B9R1.41 CC(C)N1CCSC1C ac41a3c8e8d09a89df84bf48b85619ae [0,1,0,1,0,0|1,1,0]=4 2462 B9R1.52 CC(C)N1C(CC1C)C 3301a72760de8aaf684bdd1f437d8032 [0,1,0,1,0,0|2,0,0]=4 2463 B9R1.52 CC(C)N1[C@@H](C[C@@H]1C)C 3637e6d7e27d1bf129a01cee8ced1c34 [0,1,0,1,0,0|2,0,0]=4 2464 B9R1.52 CC(C)N1[C@@H](C[C@H]1C)C 1cdf091090b18ab11efbb95cedaccb3a [0,1,0,1,0,0|2,0,0]=4 2465 B9R1.52 CC(C)N1[C@H](C[C@@H]1C)C 41e1086e9cc3700bf06e0a6c34e249dc [0,1,0,1,0,0|2,0,0]=4 2466 B9R1.53 CC(C)OC1CC(C1)F 64940075ffefe422858829ac8deed4b8 [0,1,0,1,0,0|2,0,0]=4 2467 B9R1.53 CC(C)OC1CN(C1)C a328e847e1738cec598b48e3405e8448 [0,1,0,1,0,0|2,0,0]=4 2468 B9R1.53 CC(C)O[C@H]1C[C@@H](C1)F 1f2bef1d7bdbf2a54f562b3176ecb112 [0,1,0,1,0,0|2,0,0]=4 2469 B9R1.53 CC(C)O[C@H]1C[C@H](C1)F b72150fdeca451b38dfbce5df698f640 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.53 CC1CC(C1)OC(C)C cbfbaca0f834a355b53f5ad5075da30c [0,1,0,1,0,0|1,0,0]=3 2471 B9R1.136 CC1(CC(C1)OCF)C 3bee54344eb2a38d74052b2dbabe34c6 [0,1,0,1,0,0|2,0,0]=4 2472 B9R1.136 CCNC1CC(C1)(C)O 5d74f0f8f3e68ab8965524bade91e196 [0,1,0,1,0,0|2,0,0]=4 2473 B9R1.136 CCN[C@H]1C[C@@](C1)(C)O 40ef3c077e108f519e8586541e299518 [0,1,0,1,0,0|2,0,0]=4 2474 B9R1.136 CCOC1CC(C1)(C)C 6eaa2e24a99306a668916482c3dc98f5 [0,1,0,1,0,0|1,0,0]=3 2475 B9R1.136 CCOC1CC(C1)(F)F ceadfabd11323802adb08734912548fe [0,1,0,1,0,0|2,0,0]=4 2476 B9R1.137 CC(C)N[C@@H](C)C1CC1 19e3de78ca075341c470d9e6094563cf [0,1,0,1,0,0|2,0,0]=4 2477 B9R1.137 CC(C)N[C@H](C)C1CC1 53a577b017c076e1eee77a8b5de2f29a [0,1,0,1,0,0|2,0,0]=4 2478 B9R1.137 CC(C)OC(C)C1CC1 3e49151bdb3def7aa0bc5d3199cf019d [0,1,0,1,0,0|1,0,0]=3 2479 B9R1.137 CC(C)O[C@@H](C)C1CC1 67003d2d03b1551515c80fc9b091246a [0,1,0,1,0,0|1,0,0]=3 2480 B9R1.137 CC(C)O[C@H](C)C1CC1 cf4e7e2b16b086287fb3f29bcb3ae10b [0,1,0,1,0,0|1,0,0]=3 2481 B9R1.171 CC(C)NC1(CCC1)C f8a1a4d100bf4715a763cecc5338b460 [0,1,0,1,0,0|2,0,0]=4 2482 B9R1.177 CCN[C@@]1(C[C@H](C1)O)C 9b2bca8e6123c865184df3ba0ae9a495 [0,1,0,1,0,0|2,0,0]=4 2483 B9R1.14 CCC1CCCN1CC c1e0af4df28c9d45887eabd6c6ae8592 [0,1,0,1,0,0|2,0,0]=4 2484 B9R1.14 CCN1CCCC1CO 4cc70a524b6a49ae6ff776db26f663d6 [0,1,0,1,0,0|2,0,0]=4 2485 B9R1.14 CCN1CCCC1OC 9b7034b2ef4a9a1e58e21607d3078475 [0,1,0,1,0,0|2,0,0]=4 2486 B9R1.14 CCN1CCC[C@@H]1CF db8891b9fa42c2d7590f7d287c4f54ce [0,1,0,1,0,0|2,0,0]=4 2487 B9R1.14 CCN1CCC[C@@H]1CO 06f5f2fca38eb9626faec3727a8f59e6 [0,1,0,1,0,0|2,0,0]=4 2488 B9R1.14 CCN1CCC[C@H]1CF cc2d3ec5216c037143c59acbd05341db [0,1,0,1,0,0|2,0,0]=4 2489 B9R1.14 CCN1CCC[C@H]1CO e5330ba4d388a8e39b15a149c876b607 [0,1,0,1,0,0|2,0,0]=4 2490 B9R1.14 CC[C@@H]1CCCN1CC 2ed4b1b5dcff54988a458daa323d3107 [0,1,0,1,0,0|2,0,0]=4 2491 B9R1.43 CCC(OCF)C1CC1 53c2cec5cfb4e9b78548b7dbcf17e75b [0,1,0,1,0,0|2,0,0]=4 2492 B9R1.43 CCNC(CC)C1CC1 e17f165f55724069623c52563ff238e7 [0,1,0,1,0,0|2,0,0]=4 2493 B9R1.43 CCNC(CO)C1CC1 b0a33ec1bba4213862e62d15a72d386c [0,1,0,1,0,0|2,0,0]=4 2494 B9R1.43 CCN[C@@H](CO)C1CC1 cb089794b7eac75af524c6bf589f19bc [0,1,0,1,0,0|2,0,0]=4 2495 B9R1.43 CCN[C@H](CO)C1CC1 9cab6feecbdac23c16946cf940840ead [0,1,0,1,0,0|2,0,0]=4 2496 B9R1.43 CCOC(C#N)C1CC1 555272b6002dfbda5ff386b723e891ff [0,1,0,1,0,0|1,0,1]=4 2497 B9R1.43 CCOC(CC)C1CC1 15ad00b2d460aeaaf95244223bb6dfbf [0,1,0,1,0,0|1,0,0]=3 2498 B9R1.175 CCNC1(CCC1)CC cb255d47b88014180f0f9e2dfffc6501 [0,1,0,1,0,0|2,0,0]=4 2499 B9R1.175 CCNC1(CCC1)CO 7938d0b4dbabeb7c50e27bfa4062f3da [0,1,0,1,0,0|2,0,0]=4 2500 B9R1.182 CCCC1(CC1)NCC d56898f90c8c44b5f6c6ead441d96dbb [0,1,0,1,0,0|2,0,0]=4 2501 B9R1.182 CCOC1(CC1)OCC 0b834d0de6a45030cb9a1c45bbb30622 [0,1,0,1,0,0|0,0,0]=2 2502 B9R1.182 CCOC1(CC1)OCF 9c9265ef1cd80973c8d6db873020422d [0,1,0,1,0,0|1,0,0]=3 2503 B9R1.24 CC1(OCCN1CF)C a96dff071e862f641074610f0777297f [0,1,0,1,0,0|2,0,0]=4 2504 B9R1.24 CC1(OCCN1CO)C 62f06885b291375dc111686a10532502 [0,1,0,1,0,0|2,0,0]=4 2505 B9R1.24 CCN1CCCC1(C)C 4a96c79eec924ede45a2cbe74efec3a1 [0,1,0,1,0,0|2,0,0]=4 2506 B9R1.24 CCN1CCOC1(C)C 1d983d19a10838ec18c0279eab124551 [0,1,0,1,0,0|1,0,0]=3 2507 B9R1.24 CCN1CCSC1(C)C 87eb461f23fce26b419cdb49e32c4ee0 [0,1,0,1,0,0|1,1,0]=4 2508 B9R2.59 CCN1CC2CC1C2 ee765b06f59070747fece8dfd8cff290 [0,0,0,2,0,0|2,0,0]=4 2509 B9R2.65 CCN1C2C1CCC2 305e132c1644b79dc8fa8512b5e08859 [0,0,0,2,0,0|2,0,0]=4 2510 B9R2.70 CCN1CCC2C1C2 66d424168df4e7add8984d95d79b979b [0,0,0,2,0,0|2,0,0]=4