smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Nc1cccc(CCCO)c1 159600024 538036203 /nfs/dbraw/zinc/03/62/03/538036203.db2.gz VTHXKCMNPAZQCH-UHFFFAOYSA-N 0 0 193.290 2.432 10 70 AEIERN Cc1cnc(NCCCC2CC2)nc1 160427864 538046281 /nfs/dbraw/zinc/04/62/81/538046281.db2.gz ZWWWNCSZHSXWFZ-UHFFFAOYSA-N 0 0 191.278 2.387 10 70 AEIERN CCc1ccc(NC[C@H](C)CO)cc1 160879336 538048411 /nfs/dbraw/zinc/04/84/11/538048411.db2.gz MJJYQUDPIGSYEP-JTQLQIEISA-N 0 0 193.290 2.289 10 70 AEIERN CCc1ccccc1NC[C@@H](C)CO 160877094 538050176 /nfs/dbraw/zinc/05/01/76/538050176.db2.gz YLEQLCIRPFWPPR-SNVBAGLBSA-N 0 0 193.290 2.289 10 70 AEIERN CCc1ccccc1NC[C@H](C)CO 160877218 538050880 /nfs/dbraw/zinc/05/08/80/538050880.db2.gz YLEQLCIRPFWPPR-JTQLQIEISA-N 0 0 193.290 2.289 10 70 AEIERN CCc1ccc(NC[C@@H](C)CO)cc1 160879215 538051665 /nfs/dbraw/zinc/05/16/65/538051665.db2.gz MJJYQUDPIGSYEP-SNVBAGLBSA-N 0 0 193.290 2.289 10 70 AEIERN Cc1cccc(N(C)C[C@@H](C)CO)c1 160938861 538053683 /nfs/dbraw/zinc/05/36/83/538053683.db2.gz OIQCPTZHHLZOIR-LLVKDONJSA-N 0 0 193.290 2.060 10 70 AEIERN CCN(C[C@H](C)CO)c1ccccc1 160969486 538053998 /nfs/dbraw/zinc/05/39/98/538053998.db2.gz UCAAKPKCGTWODU-NSHDSACASA-N 0 0 193.290 2.141 10 70 AEIERN CCN(C[C@@H](C)CO)c1ccccc1 160969335 538056011 /nfs/dbraw/zinc/05/60/11/538056011.db2.gz UCAAKPKCGTWODU-LLVKDONJSA-N 0 0 193.290 2.141 10 70 AEIERN Cc1cccc(N(C)C[C@H](C)CO)c1 160939019 538056707 /nfs/dbraw/zinc/05/67/07/538056707.db2.gz OIQCPTZHHLZOIR-NSHDSACASA-N 0 0 193.290 2.060 10 70 AEIERN CCc1nsc(NC[C@H]2C[C@@H]2C)n1 161411362 538057737 /nfs/dbraw/zinc/05/77/37/538057737.db2.gz NJQWSCOLRPNKDA-NKWVEPMBSA-N 0 0 197.307 2.168 10 70 AEIERN CCc1nsc(NC[C@H]2C[C@H]2C)n1 161411620 538057801 /nfs/dbraw/zinc/05/78/01/538057801.db2.gz NJQWSCOLRPNKDA-RNFRBKRXSA-N 0 0 197.307 2.168 10 70 AEIERN CCc1nsc(NC[C@@H]2C[C@@H]2C)n1 161411221 538059071 /nfs/dbraw/zinc/05/90/71/538059071.db2.gz NJQWSCOLRPNKDA-BQBZGAKWSA-N 0 0 197.307 2.168 10 70 AEIERN CCc1nsc(NC[C@@H]2C[C@H]2C)n1 161411491 538059516 /nfs/dbraw/zinc/05/95/16/538059516.db2.gz NJQWSCOLRPNKDA-RQJHMYQMSA-N 0 0 197.307 2.168 10 70 AEIERN C=C(OCC)c1ccc(O)cc1 218592473 538193853 /nfs/dbraw/zinc/19/38/53/538193853.db2.gz WYUUSCVYFOPEMV-UHFFFAOYSA-N 0 0 164.204 2.399 10 70 AEIERN CS[C@H](C)CCNc1ccncn1 217322241 571954331 /nfs/dbraw/zinc/95/43/31/571954331.db2.gz OGXSVBWAGDPTDC-MRVPVSSYSA-N 0 0 197.307 2.030 10 70 AEIERN C[C@@H](O)CCCC[SiH](C)C 238431217 573535562 /nfs/dbraw/zinc/53/55/62/573535562.db2.gz QCDOUIVQZXBWHA-MRVPVSSYSA-N 0 0 160.333 2.024 10 70 AEIERN CCOC(OCC)c1cc(C)no1 217720215 573010646 /nfs/dbraw/zinc/01/06/46/573010646.db2.gz KBXBFVVVLZXTIL-UHFFFAOYSA-N 0 0 185.223 2.055 10 70 AEIERN CC/C=C\CC[C@@H]1C[C@@H]1CO 218192367 573599482 /nfs/dbraw/zinc/59/94/82/573599482.db2.gz FSNRTZZORPHBNU-HWKXXFMVSA-N 0 0 154.253 2.361 10 70 AEIERN CC1=CCC(=O)C[C@@H]1[SiH](C)C 238511448 573772775 /nfs/dbraw/zinc/77/27/75/573772775.db2.gz FMUYPISSKUADEG-VIFPVBQESA-N 0 0 168.312 2.153 10 70 AEIERN CC(C)[SiH](CC=O)C(C)C 238216042 573962349 /nfs/dbraw/zinc/96/23/49/573962349.db2.gz QMHQNZOUEKDJMD-UHFFFAOYSA-N 0 0 158.317 2.232 10 70 AEIERN COc1ccc2nc(C)c(O)cc2c1 218295596 566279824 /nfs/dbraw/zinc/27/98/24/566279824.db2.gz LQBQDEFNMSBFHC-UHFFFAOYSA-N 0 0 189.214 2.257 10 70 AEIERN CCCC(=O)c1ccc(OC)cc1N 159702762 571722682 /nfs/dbraw/zinc/72/26/82/571722682.db2.gz KRWJJRTXGNPEJA-UHFFFAOYSA-N 0 0 193.246 2.260 10 70 AEIERN CCCCC[C@@H](O)C[C@H]1CCOC1 160827404 571822563 /nfs/dbraw/zinc/82/25/63/571822563.db2.gz AGVPXBFFVFMJMP-GHMZBOCLSA-N 0 0 186.295 2.354 10 70 AEIERN CC[C@@H](O)Cc1cccc(OC)c1F 160484626 571825472 /nfs/dbraw/zinc/82/54/72/571825472.db2.gz XSZGXCDSHYFKTL-SECBINFHSA-N 0 0 198.237 2.148 10 70 AEIERN CCC(CC)[C@H](O)C[C@@H]1CCOC1 160843926 571848962 /nfs/dbraw/zinc/84/89/62/571848962.db2.gz PQXZRHQJZAESPA-GXSJLCMTSA-N 0 0 186.295 2.210 10 70 AEIERN CCC(CC)[C@H](O)C[C@H]1CCOC1 160844161 571850055 /nfs/dbraw/zinc/85/00/55/571850055.db2.gz PQXZRHQJZAESPA-MWLCHTKSSA-N 0 0 186.295 2.210 10 70 AEIERN CCCOCC[C@H](O)C=C(C)C 160852649 571853079 /nfs/dbraw/zinc/85/30/79/571853079.db2.gz DFSPPORYGNQZOF-JTQLQIEISA-N 0 0 172.268 2.130 10 70 AEIERN c1nsc(NCCCC2CC2)n1 160527624 571865713 /nfs/dbraw/zinc/86/57/13/571865713.db2.gz CCWCCSMGPHWZPK-UHFFFAOYSA-N 0 0 183.280 2.140 10 70 AEIERN CCSCCCn1ccc(C)n1 160027145 571925557 /nfs/dbraw/zinc/92/55/57/571925557.db2.gz LXAUWHLIMNUULK-UHFFFAOYSA-N 0 0 184.308 2.335 10 70 AEIERN C[C@H](O)CCO[C@@H]1CCC[C@@H](C)C1 217033807 571934167 /nfs/dbraw/zinc/93/41/67/571934167.db2.gz BBGJTSAZGYPKFX-OUAUKWLOSA-N 0 0 186.295 2.353 10 70 AEIERN C[C@H](O)CCO[C@H]1CCC[C@@H](C)C1 217033846 571935376 /nfs/dbraw/zinc/93/53/76/571935376.db2.gz BBGJTSAZGYPKFX-VWYCJHECSA-N 0 0 186.295 2.353 10 70 AEIERN CC/C=C/NC(=O)N1CCC(C)CC1 218458104 571941166 /nfs/dbraw/zinc/94/11/66/571941166.db2.gz ITXWQARCQWINGB-QPJJXVBHSA-N 0 0 196.294 2.352 10 70 AEIERN CC(C)(C)/C=C/NC(=O)NC1CC1 218569412 571940639 /nfs/dbraw/zinc/94/06/39/571940639.db2.gz CRJUYAVTRKQRJJ-VOTSOKGWSA-N 0 0 182.267 2.008 10 70 AEIERN CC/C=C/NC(=O)NCCC(C)C 218487315 571940748 /nfs/dbraw/zinc/94/07/48/571940748.db2.gz FPQFFLMTXJMRCR-FNORWQNLSA-N 0 0 184.283 2.255 10 70 AEIERN C/C=C/NC(=O)NCCCCC 218343712 571941088 /nfs/dbraw/zinc/94/10/88/571941088.db2.gz JYFLRSBPHFIBNC-QPJJXVBHSA-N 0 0 170.256 2.009 10 70 AEIERN CCCNC(=O)NC=C1CCCC1 218753939 571944727 /nfs/dbraw/zinc/94/47/27/571944727.db2.gz LDSOBRCURHGNHY-UHFFFAOYSA-N 0 0 182.267 2.154 10 70 AEIERN CS[C@@H](C)CCNc1ccncn1 217322240 571954745 /nfs/dbraw/zinc/95/47/45/571954745.db2.gz OGXSVBWAGDPTDC-QMMMGPOBSA-N 0 0 197.307 2.030 10 70 AEIERN CS[C@@H](C)CCNc1cnccn1 217322377 571956619 /nfs/dbraw/zinc/95/66/19/571956619.db2.gz OIZDOHMZEBPDHV-QMMMGPOBSA-N 0 0 197.307 2.030 10 70 AEIERN CS[C@H](C)CCNc1cnccn1 217322380 571957192 /nfs/dbraw/zinc/95/71/92/571957192.db2.gz OIZDOHMZEBPDHV-MRVPVSSYSA-N 0 0 197.307 2.030 10 70 AEIERN Cc1nnsc1C(=O)CCC1CC1 160662638 571997979 /nfs/dbraw/zinc/99/79/79/571997979.db2.gz QTFAVWQFGURNNV-UHFFFAOYSA-N 0 0 196.275 2.219 10 70 AEIERN O=C(NC=C1CCCC1)N1CCCC1 218763543 572012700 /nfs/dbraw/zinc/01/27/00/572012700.db2.gz AMRMDAGYNDZEPF-UHFFFAOYSA-N 0 0 194.278 2.250 10 70 AEIERN C[C@H](Oc1ccccc1)C(=O)N=[N+]=[N-] 238468185 572023349 /nfs/dbraw/zinc/02/33/49/572023349.db2.gz PNCVAKRTNPWCOW-ZETCQYMHSA-N 0 0 191.190 2.291 10 70 AEIERN CCC(CC)[C@@H](Cc1ccoc1)NN 160731046 572093294 /nfs/dbraw/zinc/09/32/94/572093294.db2.gz GAVINVRMYOTKGG-LLVKDONJSA-N 0 0 196.294 2.090 10 70 AEIERN CC(C)[C@H](O)CC/C=C/[SiH](C)C 238211790 572339756 /nfs/dbraw/zinc/33/97/56/572339756.db2.gz GEUPCRVWLLRFGV-QEHWCHDUSA-N 0 0 186.371 2.366 10 70 AEIERN CC(C)[C@@H](O)CC/C=C/[SiH](C)C 238792552 572408622 /nfs/dbraw/zinc/40/86/22/572408622.db2.gz GEUPCRVWLLRFGV-PCGIRMHASA-N 0 0 186.371 2.366 10 70 AEIERN CC[C@@H](CC(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-] 238799992 572435822 /nfs/dbraw/zinc/43/58/22/572435822.db2.gz AMEQPXNSAFIJIF-BYPYZUCNSA-N 0 0 196.170 2.077 10 70 AEIERN CCCC(C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-] 238247650 572451593 /nfs/dbraw/zinc/45/15/93/572451593.db2.gz CPDLYBOYRUTDEM-UHFFFAOYSA-N 0 0 196.170 2.077 10 70 AEIERN CC[SiH](CC)[C@@H](C)C[C@H](C)O 238272029 572502001 /nfs/dbraw/zinc/50/20/01/572502001.db2.gz ZDQHEWADSCWBAV-IUCAKERBSA-N 0 0 174.360 2.414 10 70 AEIERN CC[SiH](CC)[C@H](C)C[C@@H](C)O 238272051 572501800 /nfs/dbraw/zinc/50/18/00/572501800.db2.gz ZDQHEWADSCWBAV-RKDXNWHRSA-N 0 0 174.360 2.414 10 70 AEIERN CC[SiH](CC)[C@H](C)C[C@H](C)O 238272060 572502658 /nfs/dbraw/zinc/50/26/58/572502658.db2.gz ZDQHEWADSCWBAV-DTWKUNHWSA-N 0 0 174.360 2.414 10 70 AEIERN CC[SiH](CC)[C@@H](C)C[C@@H](C)O 238272017 572503269 /nfs/dbraw/zinc/50/32/69/572503269.db2.gz ZDQHEWADSCWBAV-BDAKNGLRSA-N 0 0 174.360 2.414 10 70 AEIERN CC[C@H](CC(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-] 238293467 572533494 /nfs/dbraw/zinc/53/34/94/572533494.db2.gz AMEQPXNSAFIJIF-SCSAIBSYSA-N 0 0 196.170 2.077 10 70 AEIERN C[SiH](C)C[Si](C)(C)CCCO 238510605 572754788 /nfs/dbraw/zinc/75/47/88/572754788.db2.gz OCDZNYXYILYMDK-UHFFFAOYSA-N 0 0 190.435 2.103 10 70 AEIERN C=CCOCC(C)(C)[SiH](C)C 238510431 572753324 /nfs/dbraw/zinc/75/33/24/572753324.db2.gz WRKQLWUIMLTVQJ-UHFFFAOYSA-N 0 0 172.344 2.456 10 70 AEIERN CO[C@@H](C)CCC(=O)C(C)C 160992000 572803383 /nfs/dbraw/zinc/80/33/83/572803383.db2.gz YVNRBFJYOCNRAP-QMMMGPOBSA-N 0 0 158.241 2.027 10 70 AEIERN C#CC[C@H](CC=C)C(=O)N=[N+]=[N-] 238084677 572916896 /nfs/dbraw/zinc/91/68/96/572916896.db2.gz YTWFYADEXMKHDZ-SSDOTTSWSA-N 0 0 163.180 2.039 10 70 AEIERN C#CC[C@@H](CC=C)C(=O)N=[N+]=[N-] 238093033 572928975 /nfs/dbraw/zinc/92/89/75/572928975.db2.gz YTWFYADEXMKHDZ-ZETCQYMHSA-N 0 0 163.180 2.039 10 70 AEIERN CC(C)(C)[SiH2]C(C)(C)CCCO 238111191 572938675 /nfs/dbraw/zinc/93/86/75/572938675.db2.gz RVEMSQZYXNKZGV-UHFFFAOYSA-N 0 0 188.387 2.345 10 70 AEIERN CC(C)[C@@H](CO)C/C=C/[SiH](C)C 238151504 572954048 /nfs/dbraw/zinc/95/40/48/572954048.db2.gz GJNOLFZIUORXIF-BREXMAIKSA-N 0 0 186.371 2.223 10 70 AEIERN CC(C)[C@H](CO)C/C=C/[SiH](C)C 238154703 572955555 /nfs/dbraw/zinc/95/55/55/572955555.db2.gz GJNOLFZIUORXIF-STUBTGCMSA-N 0 0 186.371 2.223 10 70 AEIERN CC(C)C[C@@H](C#N)C(=O)N=[N+]=[N-] 238164292 572959455 /nfs/dbraw/zinc/95/94/55/572959455.db2.gz DQFUSOZYCAVZCJ-LURJTMIESA-N 0 0 166.184 2.009 10 70 AEIERN CC(C)C[C@H](C#N)C(=O)N=[N+]=[N-] 238172376 572964907 /nfs/dbraw/zinc/96/49/07/572964907.db2.gz DQFUSOZYCAVZCJ-ZCFIWIBFSA-N 0 0 166.184 2.009 10 70 AEIERN CCCCCON(CC)CC 217732784 573029407 /nfs/dbraw/zinc/02/94/07/573029407.db2.gz VCKHIMBNIXIWJS-UHFFFAOYSA-N 0 0 159.273 2.450 10 70 AEIERN C/C(=C(\F)CO)c1ccccc1 217749849 573046481 /nfs/dbraw/zinc/04/64/81/573046481.db2.gz QVDDGCHIFUJAIP-CSKARUKUSA-N 0 0 166.195 2.379 10 70 AEIERN C/C=C\[C@H](C)OC(=S)NCCC 218454924 573116517 /nfs/dbraw/zinc/11/65/17/573116517.db2.gz FAUBJMJMTAEWIM-HORMHSFOSA-N 0 0 187.308 2.252 10 70 AEIERN C[C@@H](ON)c1cccc(Cl)c1 218659377 573127286 /nfs/dbraw/zinc/12/72/86/573127286.db2.gz NVHCABYIOOGBEN-ZCFIWIBFSA-N 0 0 171.627 2.291 10 70 AEIERN C/C=C\[C@H]1OC(=O)c2ccccc21 218782945 573136242 /nfs/dbraw/zinc/13/62/42/573136242.db2.gz SKBQLVMTUFYUGA-XJIUSYNZSA-N 0 0 174.199 2.474 10 70 AEIERN CCOC1(C(=O)C2CC2)CCCC1 159380822 573174385 /nfs/dbraw/zinc/17/43/85/573174385.db2.gz OZYKWVBJOFLBSH-UHFFFAOYSA-N 0 0 182.263 2.315 10 70 AEIERN O=C(Nc1ccco1)N1CCCCC1 217271794 573187947 /nfs/dbraw/zinc/18/79/47/573187947.db2.gz MZCAHOKAJBOCHM-UHFFFAOYSA-N 0 0 194.234 2.297 10 70 AEIERN CC(C)CCNC(=O)Nc1ccco1 217272188 573240277 /nfs/dbraw/zinc/24/02/77/573240277.db2.gz ZHXHHLGCBNCYJR-UHFFFAOYSA-N 0 0 196.250 2.447 10 70 AEIERN CO[C@@H](C(=O)C1CC1)c1ccccc1 159488827 573447196 /nfs/dbraw/zinc/44/71/96/573447196.db2.gz HEWRKOPBKANJAL-GFCCVEGCSA-N 0 0 190.242 2.353 10 70 AEIERN CO[C@H](C(=O)C1CC1)c1ccccc1 159488700 573447745 /nfs/dbraw/zinc/44/77/45/573447745.db2.gz HEWRKOPBKANJAL-LBPRGKRZSA-N 0 0 190.242 2.353 10 70 AEIERN C[C@H](O)CCCC[SiH](C)C 238430704 573538551 /nfs/dbraw/zinc/53/85/51/573538551.db2.gz QCDOUIVQZXBWHA-QMMMGPOBSA-N 0 0 160.333 2.024 10 70 AEIERN CC/C=C/CC[C@@H]1C[C@@H]1CO 218192445 573602798 /nfs/dbraw/zinc/60/27/98/573602798.db2.gz FSNRTZZORPHBNU-HIHHVFROSA-N 0 0 154.253 2.361 10 70 AEIERN CC1=CCC(=O)C[C@H]1[SiH](C)C 238511346 573771967 /nfs/dbraw/zinc/77/19/67/573771967.db2.gz FMUYPISSKUADEG-SECBINFHSA-N 0 0 168.312 2.153 10 70 AEIERN CC[C@@H](C)COC(=O)c1cccnc1 217977279 583490163 /nfs/dbraw/zinc/49/01/63/583490163.db2.gz XUFSRBOSGGAENQ-SECBINFHSA-N 0 0 193.246 2.285 10 70 AEIERN CC[C@H](C)COC(=O)c1cccnc1 217977362 583490758 /nfs/dbraw/zinc/49/07/58/583490758.db2.gz XUFSRBOSGGAENQ-VIFPVBQESA-N 0 0 193.246 2.285 10 70 AEIERN O=C(OCC1CCC1)c1cccnc1 218043175 583491971 /nfs/dbraw/zinc/49/19/71/583491971.db2.gz CZLYKENAFHLPGH-UHFFFAOYSA-N 0 0 191.230 2.039 10 70 AEIERN CCC(C)(C)[C@H](C)NC(=O)OC 218736492 583492965 /nfs/dbraw/zinc/49/29/65/583492965.db2.gz DHBGFZWTQKZXMD-ZETCQYMHSA-N 0 0 173.256 2.167 10 70 AEIERN CC1(C)CC(C(N)=O)CC(C)(C)C1 217784881 490068544 /nfs/dbraw/zinc/06/85/44/490068544.db2.gz CXNFUNFSKPATAX-UHFFFAOYSA-N 0 0 183.295 2.324 10 70 AEIERN CCNC(=O)NCCC1=CCCCC1 217691653 490068648 /nfs/dbraw/zinc/06/86/48/490068648.db2.gz BTTNDTAWSIQMHX-UHFFFAOYSA-N 0 0 196.294 2.196 10 70 AEIERN CCC[C@H]1C[C@H]1NC(=O)N(CC)CC 218005917 490069021 /nfs/dbraw/zinc/06/90/21/490069021.db2.gz LMDFFXTUSJCERX-VHSXEESVSA-N 0 0 198.310 2.226 10 70 AEIERN CCC[C@@H]1C[C@@H]1NC(=O)N(CC)CC 218005687 490069099 /nfs/dbraw/zinc/06/90/99/490069099.db2.gz LMDFFXTUSJCERX-ZJUUUORDSA-N 0 0 198.310 2.226 10 70 AEIERN CCC[C@H]1C[C@@H]1NC(=O)N(CC)CC 218005767 490069236 /nfs/dbraw/zinc/06/92/36/490069236.db2.gz LMDFFXTUSJCERX-UWVGGRQHSA-N 0 0 198.310 2.226 10 70 AEIERN CCC(=O)c1ccc(F)c(OC)c1 161377065 166775820 /nfs/dbraw/zinc/77/58/20/166775820.db2.gz VSMGBUIFLCJWPN-UHFFFAOYSA-N 0 0 182.194 2.427 10 70 AEIERN CCN(CC)C(=O)N1CC=C(C)CC1 160108215 167159987 /nfs/dbraw/zinc/15/99/87/167159987.db2.gz AQBHMAFLSOMZPL-UHFFFAOYSA-N 0 0 196.294 2.100 10 70 AEIERN FCCCn1cnc2ccccc21 160870583 169079413 /nfs/dbraw/zinc/07/94/13/169079413.db2.gz FXQMEXJAEKLFGC-UHFFFAOYSA-N 0 0 178.210 2.396 10 70 AEIERN COc1cccnc1N[C@@H](C)C1CC1 159462101 344145083 /nfs/dbraw/zinc/14/50/83/344145083.db2.gz IFORYDZXMNBSGC-QMMMGPOBSA-N 0 0 192.262 2.301 10 70 AEIERN Cc1nc(C)c(C(=O)OC(C)(C)C)o1 159504032 344146638 /nfs/dbraw/zinc/14/66/38/344146638.db2.gz VKDXIVFYKUFYQX-UHFFFAOYSA-N 0 0 197.234 2.247 10 70 AEIERN CCOc1ccc(NC#N)cc1F 159843171 344153148 /nfs/dbraw/zinc/15/31/48/344153148.db2.gz NGGWZMZTUGGNCI-UHFFFAOYSA-N 0 0 180.182 2.117 10 70 AEIERN Cc1ncsc1C(=O)c1ccoc1 159968888 344155494 /nfs/dbraw/zinc/15/54/94/344155494.db2.gz QCDJKIDZRYVBBI-UHFFFAOYSA-N 0 0 193.227 2.276 10 70 AEIERN CCOc1cccnc1N[C@H]1C[C@H]1C 160229467 344160678 /nfs/dbraw/zinc/16/06/78/344160678.db2.gz PYNLTJAWRLLBJP-BDAKNGLRSA-N 0 0 192.262 2.301 10 70 AEIERN CCOc1cccnc1N[C@H]1C[C@@H]1C 160229197 344160722 /nfs/dbraw/zinc/16/07/22/344160722.db2.gz PYNLTJAWRLLBJP-IUCAKERBSA-N 0 0 192.262 2.301 10 70 AEIERN CC(C)c1cccc2c(=O)[nH]cnc12 160087939 344158269 /nfs/dbraw/zinc/15/82/69/344158269.db2.gz LBGDXCCJOZMMKN-UHFFFAOYSA-N 0 0 188.230 2.047 10 70 AEIERN CCNc1ncccc1OC(C)C 160192608 344159684 /nfs/dbraw/zinc/15/96/84/344159684.db2.gz PZJOKFXLLZXVNT-UHFFFAOYSA-N 0 0 180.251 2.301 10 70 AEIERN CCOc1cccnc1NC1CC1 160190350 344159699 /nfs/dbraw/zinc/15/96/99/344159699.db2.gz VHNUWMNYZJWKEH-UHFFFAOYSA-N 0 0 178.235 2.055 10 70 AEIERN COc1cc(OC)c2ccoc2c1 160194700 344159716 /nfs/dbraw/zinc/15/97/16/344159716.db2.gz KJQBVSLIHABWKY-UHFFFAOYSA-N 0 0 178.187 2.450 10 70 AEIERN CNc1nc(-c2occc2C)ns1 161342433 344190038 /nfs/dbraw/zinc/19/00/38/344190038.db2.gz VXJIHDXGVDJJOJ-UHFFFAOYSA-N 0 0 195.247 2.148 10 70 AEIERN ONC1CCC2(CCCC2)CC1 161368995 344190323 /nfs/dbraw/zinc/19/03/23/344190323.db2.gz NYPUNFANKFJDAJ-UHFFFAOYSA-N 0 0 169.268 2.468 10 70 AEIERN CCc1cc(F)cc(F)c1O 217478771 344401673 /nfs/dbraw/zinc/40/16/73/344401673.db2.gz BGLWPVQYHOKXAE-UHFFFAOYSA-N 0 0 158.147 2.233 10 70 AEIERN Nc1nc(/C=C\c2ccc[nH]2)cs1 217949543 344408520 /nfs/dbraw/zinc/40/85/20/344408520.db2.gz CYDSZFCEUBSFHA-ARJAWSKDSA-N 0 0 191.259 2.224 10 70 AEIERN COC(=O)c1ccc(C2CC2)cc1O 218190020 344410702 /nfs/dbraw/zinc/41/07/02/344410702.db2.gz ALURDONIZLSXIY-UHFFFAOYSA-N 0 0 192.214 2.056 10 70 AEIERN COc1cccnc1N[C@H](C)C1CC1 159462217 344145174 /nfs/dbraw/zinc/14/51/74/344145174.db2.gz IFORYDZXMNBSGC-MRVPVSSYSA-N 0 0 192.262 2.301 10 70 AEIERN CC[C@H](C)Nc1ncccc1OC 159464655 344145714 /nfs/dbraw/zinc/14/57/14/344145714.db2.gz UXQORDREOLTFDI-QMMMGPOBSA-N 0 0 180.251 2.301 10 70 AEIERN CC[C@@H](C)Nc1ncccc1OC 159464536 344145884 /nfs/dbraw/zinc/14/58/84/344145884.db2.gz UXQORDREOLTFDI-MRVPVSSYSA-N 0 0 180.251 2.301 10 70 AEIERN Fc1cc(N2CCCCC2)ccn1 159503412 344146569 /nfs/dbraw/zinc/14/65/69/344146569.db2.gz GJFKAQMGIXQQPS-UHFFFAOYSA-N 0 0 180.226 2.211 10 70 AEIERN C=COC1C[C@@H](C)O[C@H](C)C1 159546141 344147804 /nfs/dbraw/zinc/14/78/04/344147804.db2.gz HXUFJGLPCYHUBP-HTQZYQBOSA-N 0 0 156.225 2.103 10 70 AEIERN C=COC1C[C@H](C)O[C@@H](C)C1 159546005 344147922 /nfs/dbraw/zinc/14/79/22/344147922.db2.gz HXUFJGLPCYHUBP-YUMQZZPRSA-N 0 0 156.225 2.103 10 70 AEIERN CCOc1cc(C)nc(NC(C)C)n1 159583577 344148458 /nfs/dbraw/zinc/14/84/58/344148458.db2.gz MPBDOHOKHMTWFZ-UHFFFAOYSA-N 0 0 195.266 2.004 10 70 AEIERN CC(C)Nc1nccc(OC(C)C)n1 159583307 344148740 /nfs/dbraw/zinc/14/87/40/344148740.db2.gz PZWLCMXXKFKABL-UHFFFAOYSA-N 0 0 195.266 2.084 10 70 AEIERN CC(C)CCc1cnc(N)s1 159595445 344148879 /nfs/dbraw/zinc/14/88/79/344148879.db2.gz WXVIHOCEJGVQQK-UHFFFAOYSA-N 0 0 170.281 2.314 10 70 AEIERN Nc1ncc(Cc2ccsc2)s1 159875591 344153535 /nfs/dbraw/zinc/15/35/35/344153535.db2.gz JYLMOPHIQTWLAT-UHFFFAOYSA-N 0 0 196.300 2.378 10 70 AEIERN CC[C@@H](C)Cc1cnc(N)s1 159872136 344153545 /nfs/dbraw/zinc/15/35/45/344153545.db2.gz OOHWKBOWXDXATR-ZCFIWIBFSA-N 0 0 170.281 2.314 10 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PYNLTJAWRLLBJP-DTWKUNHWSA-N 0 0 192.262 2.301 10 70 AEIERN Cc1ncccc1C(=O)CC1CC1 160378616 344163749 /nfs/dbraw/zinc/16/37/49/344163749.db2.gz OPQZTORWXIMGNX-UHFFFAOYSA-N 0 0 175.231 2.373 10 70 AEIERN Cc1ncsc1C(=O)CC1CC1 160379170 344163808 /nfs/dbraw/zinc/16/38/08/344163808.db2.gz FYYFQCUXSDIRKC-UHFFFAOYSA-N 0 0 181.260 2.434 10 70 AEIERN C[C@@H]1C[C@H]1Nc1ncc(F)cc1F 160373326 344163933 /nfs/dbraw/zinc/16/39/33/344163933.db2.gz DMHRWLXTKFYWKZ-SVGQVSJJSA-N 0 0 184.189 2.180 10 70 AEIERN C[C@@H]1C[C@@H]1Nc1ncc(F)cc1F 160373085 344164040 /nfs/dbraw/zinc/16/40/40/344164040.db2.gz DMHRWLXTKFYWKZ-XRGYYRRGSA-N 0 0 184.189 2.180 10 70 AEIERN C[C@H]1C[C@H]1Nc1ncc(F)cc1F 160373448 344164050 /nfs/dbraw/zinc/16/40/50/344164050.db2.gz DMHRWLXTKFYWKZ-YLWLKBPMSA-N 0 0 184.189 2.180 10 70 AEIERN C[C@H]1C[C@@H]1Nc1ncc(F)cc1F 160373199 344164077 /nfs/dbraw/zinc/16/40/77/344164077.db2.gz DMHRWLXTKFYWKZ-XNCJUZBTSA-N 0 0 184.189 2.180 10 70 AEIERN Cc1nn(C)c(C)c1C(=O)CC1CC1 160379594 344164082 /nfs/dbraw/zinc/16/40/82/344164082.db2.gz XNQKFBKALQXBCJ-UHFFFAOYSA-N 0 0 192.262 2.020 10 70 AEIERN CSCCn1ccnc1C(C)C 160399015 344164685 /nfs/dbraw/zinc/16/46/85/344164685.db2.gz ODQUTLBYYCRAFC-UHFFFAOYSA-N 0 0 184.308 2.370 10 70 AEIERN Cc1cc(C)nc(NC[C@H]2C[C@H]2C)n1 160422720 344165676 /nfs/dbraw/zinc/16/56/76/344165676.db2.gz WUHRTZBSYPMPDF-GMSGAONNSA-N 0 0 191.278 2.161 10 70 AEIERN Cc1cc(C)nc(NC[C@@H]2C[C@@H]2C)n1 160422313 344165838 /nfs/dbraw/zinc/16/58/38/344165838.db2.gz WUHRTZBSYPMPDF-XVKPBYJWSA-N 0 0 191.278 2.161 10 70 AEIERN CCC(C)(C)Nc1ncc(C)cn1 160421924 344165868 /nfs/dbraw/zinc/16/58/68/344165868.db2.gz QPRDCIOZJTURFI-UHFFFAOYSA-N 0 0 179.267 2.386 10 70 AEIERN Cc1cc(C)nc(NC[C@@H]2C[C@H]2C)n1 160422580 344165921 /nfs/dbraw/zinc/16/59/21/344165921.db2.gz WUHRTZBSYPMPDF-XCBNKYQSSA-N 0 0 191.278 2.161 10 70 AEIERN NC(=S)c1cccn1C1CCCC1 160471839 344167140 /nfs/dbraw/zinc/16/71/40/344167140.db2.gz IVMPAHOWQJUXHL-UHFFFAOYSA-N 0 0 194.303 2.237 10 70 AEIERN CNc1nc(-c2ccoc2C)ns1 160454663 344167242 /nfs/dbraw/zinc/16/72/42/344167242.db2.gz KSVMMUHCMNQAQF-UHFFFAOYSA-N 0 0 195.247 2.148 10 70 AEIERN CC(C)(C)CCNc1ncns1 160524736 344168489 /nfs/dbraw/zinc/16/84/89/344168489.db2.gz MEDSRSAOTBZIKG-UHFFFAOYSA-N 0 0 185.296 2.386 10 70 AEIERN C[C@@H](Nc1ncns1)C1CCC1 160532263 344168906 /nfs/dbraw/zinc/16/89/06/344168906.db2.gz LXUJQZFRKIUUAA-ZCFIWIBFSA-N 0 0 183.280 2.139 10 70 AEIERN C[C@H](Nc1ncns1)C1CCC1 160532138 344168977 /nfs/dbraw/zinc/16/89/77/344168977.db2.gz LXUJQZFRKIUUAA-LURJTMIESA-N 0 0 183.280 2.139 10 70 AEIERN Cc1cnccc1Cn1cccc1 160620222 344171934 /nfs/dbraw/zinc/17/19/34/344171934.db2.gz JOMCHXDQWMHSNK-UHFFFAOYSA-N 0 0 172.231 2.240 10 70 AEIERN C[C@@H](CO)SCCc1ccccc1 160768477 344176933 /nfs/dbraw/zinc/17/69/33/344176933.db2.gz CNUSZQJKEKHWLA-JTQLQIEISA-N 0 0 196.315 2.343 10 70 AEIERN COC(=N)C1(OC)CCC(C)CC1 160771763 344177060 /nfs/dbraw/zinc/17/70/60/344177060.db2.gz MLMVTUJEMGMWMH-UHFFFAOYSA-N 0 0 185.267 2.205 10 70 AEIERN C[C@H](CO)SCCc1ccccc1 160768628 344177299 /nfs/dbraw/zinc/17/72/99/344177299.db2.gz CNUSZQJKEKHWLA-SNVBAGLBSA-N 0 0 196.315 2.343 10 70 AEIERN C[C@@H](CO)SCc1ccccc1 160766771 344177101 /nfs/dbraw/zinc/17/71/01/344177101.db2.gz BTFDRMFNVVCVBX-VIFPVBQESA-N 0 0 182.288 2.301 10 70 AEIERN C[C@H](CO)SCCC(F)(F)F 160757439 344177134 /nfs/dbraw/zinc/17/71/34/344177134.db2.gz CRQMGVXRVYAKJC-RXMQYKEDSA-N 0 0 188.214 2.053 10 70 AEIERN C[C@H](CO)SCc1ccccc1 160766899 344177139 /nfs/dbraw/zinc/17/71/39/344177139.db2.gz BTFDRMFNVVCVBX-SECBINFHSA-N 0 0 182.288 2.301 10 70 AEIERN C[C@@H](CO)SCCC(F)(F)F 160757301 344177215 /nfs/dbraw/zinc/17/72/15/344177215.db2.gz CRQMGVXRVYAKJC-YFKPBYRVSA-N 0 0 188.214 2.053 10 70 AEIERN O=C(C[C@H]1CCOC1)c1ccsc1 160816954 344178120 /nfs/dbraw/zinc/17/81/20/344178120.db2.gz WUJCFEKCFNNEGR-MRVPVSSYSA-N 0 0 196.271 2.357 10 70 AEIERN O=C(C[C@@H]1CCOC1)c1ccsc1 160816804 344178186 /nfs/dbraw/zinc/17/81/86/344178186.db2.gz WUJCFEKCFNNEGR-QMMMGPOBSA-N 0 0 196.271 2.357 10 70 AEIERN O=C(C[C@H]1CCOC1)c1cccs1 160818278 344178303 /nfs/dbraw/zinc/17/83/03/344178303.db2.gz SCZUOSROHFVHMV-MRVPVSSYSA-N 0 0 196.271 2.357 10 70 AEIERN O=C(C[C@@H]1CCOC1)c1cccs1 160818154 344178364 /nfs/dbraw/zinc/17/83/64/344178364.db2.gz SCZUOSROHFVHMV-QMMMGPOBSA-N 0 0 196.271 2.357 10 70 AEIERN CC(C)[C@@H]1CCCC[C@@H]1NC#N 161000073 344182826 /nfs/dbraw/zinc/18/28/26/344182826.db2.gz JSPNWWGUHXAKKN-UWVGGRQHSA-N 0 0 166.268 2.272 10 70 AEIERN CC(C)[C@H]1CCCC[C@H]1NC#N 161000437 344182833 /nfs/dbraw/zinc/18/28/33/344182833.db2.gz JSPNWWGUHXAKKN-NXEZZACHSA-N 0 0 166.268 2.272 10 70 AEIERN CC(C)[C@@H]1CCCC[C@H]1NC#N 161000330 344183043 /nfs/dbraw/zinc/18/30/43/344183043.db2.gz JSPNWWGUHXAKKN-VHSXEESVSA-N 0 0 166.268 2.272 10 70 AEIERN CC(C)[C@H]1CCCC[C@@H]1NC#N 161000202 344183076 /nfs/dbraw/zinc/18/30/76/344183076.db2.gz JSPNWWGUHXAKKN-ZJUUUORDSA-N 0 0 166.268 2.272 10 70 AEIERN C1=C[C@@H](n2ccnc2)CCC1 161122185 344185527 /nfs/dbraw/zinc/18/55/27/344185527.db2.gz FALWGKDOLNSJQS-SECBINFHSA-N 0 0 148.209 2.164 10 70 AEIERN C1=C[C@H](n2ccnc2)CCC1 161122063 344185769 /nfs/dbraw/zinc/18/57/69/344185769.db2.gz FALWGKDOLNSJQS-VIFPVBQESA-N 0 0 148.209 2.164 10 70 AEIERN COC(=O)[C@H](C)CSC1CCC1 161185315 344186553 /nfs/dbraw/zinc/18/65/53/344186553.db2.gz CDBWRAQSLCVJHS-SSDOTTSWSA-N 0 0 188.292 2.081 10 70 AEIERN COC(=O)[C@@H](C)CSC1CCC1 161185206 344186706 /nfs/dbraw/zinc/18/67/06/344186706.db2.gz CDBWRAQSLCVJHS-ZETCQYMHSA-N 0 0 188.292 2.081 10 70 AEIERN CCN(C)C(=O)N1[C@@H](C)CCC[C@@H]1C 161265633 344188290 /nfs/dbraw/zinc/18/82/90/344188290.db2.gz WBAIEASUXWQYDS-UWVGGRQHSA-N 0 0 198.310 2.321 10 70 AEIERN Cc1ccoc1C(=N)NC(C)(C)C 161323383 344189256 /nfs/dbraw/zinc/18/92/56/344189256.db2.gz FJISHJFMBGZCPU-UHFFFAOYSA-N 0 0 180.251 2.301 10 70 AEIERN CCC(C)(C)Nc1nc(C)ns1 161405413 344190794 /nfs/dbraw/zinc/19/07/94/344190794.db2.gz PZTZFDNHCHRVIF-UHFFFAOYSA-N 0 0 185.296 2.447 10 70 AEIERN Cc1cc(C(=O)c2ccco2)co1 161422030 344191036 /nfs/dbraw/zinc/19/10/36/344191036.db2.gz JLYPCSZEGJSAHU-UHFFFAOYSA-N 0 0 176.171 2.412 10 70 AEIERN Cc1cc(C(=O)c2cc[nH]c2)co1 161423952 344191069 /nfs/dbraw/zinc/19/10/69/344191069.db2.gz UTOPFZQBDLBTSS-UHFFFAOYSA-N 0 0 175.187 2.147 10 70 AEIERN Cc1cc(C(=O)c2ccc[nH]2)co1 161423802 344191397 /nfs/dbraw/zinc/19/13/97/344191397.db2.gz LJIKRIWSQORYEN-UHFFFAOYSA-N 0 0 175.187 2.147 10 70 AEIERN CSCC(=O)c1coc(C)c1 161510475 344192495 /nfs/dbraw/zinc/19/24/95/344192495.db2.gz HDQJANPURJACSU-UHFFFAOYSA-N 0 0 170.233 2.134 10 70 AEIERN CCCCC#C[SiH](C)C 206758676 344375649 /nfs/dbraw/zinc/37/56/49/344375649.db2.gz HDSCTQLFQKPAEB-UHFFFAOYSA-N 0 0 140.302 2.206 10 70 AEIERN C[C@@]1(C(F)F)Nc2ccccc2O1 216707996 344399075 /nfs/dbraw/zinc/39/90/75/344399075.db2.gz QPEVPRXZHOBRGY-SECBINFHSA-N 0 0 185.173 2.472 10 70 AEIERN C[C@]1(C(F)F)Nc2ccccc2O1 216707957 344399208 /nfs/dbraw/zinc/39/92/08/344399208.db2.gz QPEVPRXZHOBRGY-VIFPVBQESA-N 0 0 185.173 2.472 10 70 AEIERN CC(C)CNC(=O)Nc1ccco1 217271612 344400725 /nfs/dbraw/zinc/40/07/25/344400725.db2.gz HOGDGPOCAAYYCR-UHFFFAOYSA-N 0 0 182.223 2.057 10 70 AEIERN C=Cc1cnc(C(C)(F)F)nc1 217085388 344400810 /nfs/dbraw/zinc/40/08/10/344400810.db2.gz LQXMJJXFCKAKNW-UHFFFAOYSA-N 0 0 170.162 2.231 10 70 AEIERN CC[C@H](C)NC(=O)Nc1ccco1 217271622 344400825 /nfs/dbraw/zinc/40/08/25/344400825.db2.gz QRWQWNGLYOBNBO-ZETCQYMHSA-N 0 0 182.223 2.200 10 70 AEIERN CC[C@@H](C)NC(=O)Nc1ccco1 217271621 344400863 /nfs/dbraw/zinc/40/08/63/344400863.db2.gz QRWQWNGLYOBNBO-SSDOTTSWSA-N 0 0 182.223 2.200 10 70 AEIERN CC(C)(C)NC(=O)Nc1ccco1 217271641 344400926 /nfs/dbraw/zinc/40/09/26/344400926.db2.gz DFXIOSHTHVOJLS-UHFFFAOYSA-N 0 0 182.223 2.200 10 70 AEIERN CCN1CCCC[C@@H]1C(F)(F)F 217383277 344401173 /nfs/dbraw/zinc/40/11/73/344401173.db2.gz NCWFBSMEQKJILJ-SSDOTTSWSA-N 0 0 181.201 2.423 10 70 AEIERN CNc1cscc1C 217382897 344401271 /nfs/dbraw/zinc/40/12/71/344401271.db2.gz DIXFDYYEAFILOJ-UHFFFAOYSA-N 0 0 127.212 2.098 10 70 AEIERN CCN1CCCC[C@H]1C(F)(F)F 217383351 344401280 /nfs/dbraw/zinc/40/12/80/344401280.db2.gz NCWFBSMEQKJILJ-ZETCQYMHSA-N 0 0 181.201 2.423 10 70 AEIERN Cn1nccc1CCc1ccccc1 217471478 344401887 /nfs/dbraw/zinc/40/18/87/344401887.db2.gz HAIOUGRXBSNMMI-UHFFFAOYSA-N 0 0 186.258 2.205 10 70 AEIERN CCc1c(F)ccc(F)c1O 217475433 344401963 /nfs/dbraw/zinc/40/19/63/344401963.db2.gz JSAAWFHXNLBHGU-UHFFFAOYSA-N 0 0 158.147 2.233 10 70 AEIERN CCc1ccc(F)c(F)c1O 217478867 344401984 /nfs/dbraw/zinc/40/19/84/344401984.db2.gz KMKVAPRUXFPGIF-UHFFFAOYSA-N 0 0 158.147 2.233 10 70 AEIERN COc1cc(C)c(F)c(OC)c1 217574339 344403424 /nfs/dbraw/zinc/40/34/24/344403424.db2.gz GASRKTJZWUTWOF-UHFFFAOYSA-N 0 0 170.183 2.151 10 70 AEIERN Cc1cc2c3sccc3ncn2n1 217562091 344403429 /nfs/dbraw/zinc/40/34/29/344403429.db2.gz ZVJNANFHBIPOAJ-UHFFFAOYSA-N 0 0 189.243 2.252 10 70 AEIERN CCOC(=O)[C@@H]1C[C@H]1c1ccsc1 217587734 344403486 /nfs/dbraw/zinc/40/34/86/344403486.db2.gz QKJVBJJLTFLGHE-DTWKUNHWSA-N 0 0 196.271 2.415 10 70 AEIERN Cc1cn2c(cnc3ccsc32)n1 217558619 344403585 /nfs/dbraw/zinc/40/35/85/344403585.db2.gz HKCLWDGSDPHHDL-UHFFFAOYSA-N 0 0 189.243 2.252 10 70 AEIERN CCC(=O)Oc1cc(C)ccc1F 217656117 344404196 /nfs/dbraw/zinc/40/41/96/344404196.db2.gz DNEHGNRVPYNTHD-UHFFFAOYSA-N 0 0 182.194 2.450 10 70 AEIERN CC(C)c1cn2cccc2c(=O)o1 217780120 344406338 /nfs/dbraw/zinc/40/63/38/344406338.db2.gz IIMQIKDAOBJZFH-UHFFFAOYSA-N 0 0 177.203 2.016 10 70 AEIERN CCn1ccc2c(C)cccc2c1=O 217898527 344407993 /nfs/dbraw/zinc/40/79/93/344407993.db2.gz GNWLIOKTUKDZMK-UHFFFAOYSA-N 0 0 187.242 2.330 10 70 AEIERN C[C@H](CCCC(N)=O)c1ccccc1 217890891 344408004 /nfs/dbraw/zinc/40/80/04/344408004.db2.gz PFFCXZLUPSOLGO-SNVBAGLBSA-N 0 0 191.274 2.446 10 70 AEIERN CCOc1ccc(C)c(C(=O)OC)c1 217966790 344408469 /nfs/dbraw/zinc/40/84/69/344408469.db2.gz PAWQBEFVQAPZAL-UHFFFAOYSA-N 0 0 194.230 2.180 10 70 AEIERN CCNc1ccc2c(c1)CCC2=O 218045934 344409460 /nfs/dbraw/zinc/40/94/60/344409460.db2.gz LOVOQKSRYCMHAU-UHFFFAOYSA-N 0 0 175.231 2.247 10 70 AEIERN CCCSc1nccnc1F 218286130 344411066 /nfs/dbraw/zinc/41/10/66/344411066.db2.gz YGBMLFQVNYJXRO-UHFFFAOYSA-N 0 0 172.228 2.118 10 70 AEIERN CC(C)(C)OCCNc1ccccn1 218261706 344411108 /nfs/dbraw/zinc/41/11/08/344411108.db2.gz HGUOQWTVGUNQBO-UHFFFAOYSA-N 0 0 194.278 2.309 10 70 AEIERN c1nnsc1NC1CCCCC1 218396980 344411971 /nfs/dbraw/zinc/41/19/71/344411971.db2.gz UQTKVQQIJPGNFT-UHFFFAOYSA-N 0 0 183.280 2.283 10 70 AEIERN C=Cc1ccc2ocnc2c1 218606057 344413899 /nfs/dbraw/zinc/41/38/99/344413899.db2.gz BZUNUQZXNLQWSU-UHFFFAOYSA-N 0 0 145.161 2.471 10 70 AEIERN CN1CCCC[C@@H]1C(F)(F)F 218643536 344414461 /nfs/dbraw/zinc/41/44/61/344414461.db2.gz FXZHCHVPSUUAGW-ZCFIWIBFSA-N 0 0 167.174 2.033 10 70 AEIERN CCC/C=C(\SC)[S@@](C)=O 218633620 344414464 /nfs/dbraw/zinc/41/44/64/344414464.db2.gz GXFHOTQQXGFGQO-VQCYPWCPSA-N 0 0 178.322 2.369 10 70 AEIERN CCC/C=C(\SC)[S@](C)=O 218633483 344414501 /nfs/dbraw/zinc/41/45/01/344414501.db2.gz GXFHOTQQXGFGQO-FGEFZZPRSA-N 0 0 178.322 2.369 10 70 AEIERN CN1CCCC[C@H]1C(F)(F)F 218643604 344414528 /nfs/dbraw/zinc/41/45/28/344414528.db2.gz FXZHCHVPSUUAGW-LURJTMIESA-N 0 0 167.174 2.033 10 70 AEIERN O=C(CF)c1cccc(F)c1F 218670970 344414780 /nfs/dbraw/zinc/41/47/80/344414780.db2.gz NOZNFNJHIKLYRK-UHFFFAOYSA-N 0 0 174.121 2.117 10 70 AEIERN Cc1cccc(C(=O)CF)c1F 218675974 344414858 /nfs/dbraw/zinc/41/48/58/344414858.db2.gz SDDHFXYXVPAMPB-UHFFFAOYSA-N 0 0 170.158 2.286 10 70 AEIERN c1ccc2c(c1)Cc1ccc[siH]c1-2 307155649 345847854 /nfs/dbraw/zinc/84/78/54/345847854.db2.gz MRLMSOGWQHZKPS-UHFFFAOYSA-N 0 0 182.298 2.328 10 70 AEIERN CC(C)=CC[SiH](C)C 584602138 346721120 /nfs/dbraw/zinc/72/11/20/346721120.db2.gz HGHCOXZMANNXCG-UHFFFAOYSA-N 0 0 128.291 2.439 10 70 AEIERN C#C[SiH](C(C)C)C(C)C 584602783 346721558 /nfs/dbraw/zinc/72/15/58/346721558.db2.gz YSUUBVRLIYAVBP-UHFFFAOYSA-N 0 0 140.302 2.206 10 70 AEIERN CCCc1ccccc1[SiH](C)C 584608047 346724528 /nfs/dbraw/zinc/72/45/28/346724528.db2.gz ISWRITBJAGOTSM-UHFFFAOYSA-N 0 0 178.351 2.333 10 70 AEIERN CC(C)[SiH](C)c1ccccc1 584651031 346742510 /nfs/dbraw/zinc/74/25/10/346742510.db2.gz YOHOUCOBDSMQDT-UHFFFAOYSA-N 0 0 164.324 2.161 10 70 AEIERN CCC[C@H](C)/C(C)=C(\C)C#C[SiH3] 584652370 346742796 /nfs/dbraw/zinc/74/27/96/346742796.db2.gz HVPORGPIVYFZAW-YHTNPHCKSA-N 0 0 180.367 2.085 10 70 AEIERN CCC[C@@H](C)/C(C)=C(\C)C#C[SiH3] 584652369 346742931 /nfs/dbraw/zinc/74/29/31/346742931.db2.gz HVPORGPIVYFZAW-HNLKAFMCSA-N 0 0 180.367 2.085 10 70 AEIERN CC(C)(C)C([SiH3])C(C)(C)C 575440595 352204772 /nfs/dbraw/zinc/20/47/72/352204772.db2.gz VUBNZBCLQMTXIV-UHFFFAOYSA-N 0 0 158.361 2.233 10 70 AEIERN C#C[Si](C)(C)CC[SiH](C)C 584651913 375555211 /nfs/dbraw/zinc/55/52/11/375555211.db2.gz IPTVTLFUSZKODI-UHFFFAOYSA-N 0 0 170.404 2.354 10 70 AEIERN COc1cc(-c2ccco2)ccn1 217507004 409513219 /nfs/dbraw/zinc/51/32/19/409513219.db2.gz OZBZOPZTEOQJIV-UHFFFAOYSA-N 0 0 175.187 2.350 10 70 AEIERN CC(C)(C)C(=O)N1OC2CCC1CC2 217449072 409513215 /nfs/dbraw/zinc/51/32/15/409513215.db2.gz NMHSOVNRZOPHPY-UHFFFAOYSA-N 0 0 197.278 2.118 10 70 AEIERN CCC[C@H](C)[C@@H](Cc1ccco1)NN 160706811 572060249 /nfs/dbraw/zinc/06/02/49/572060249.db2.gz ISLZVTYMAQNUGR-GXSJLCMTSA-N 0 0 196.294 2.090 10 70 AEIERN CC(C)(C)[SiH](C#CCO)C(C)(C)C 238111504 573782280 /nfs/dbraw/zinc/78/22/80/573782280.db2.gz CLDLNWCBUWZGMA-UHFFFAOYSA-N 0 0 198.382 2.349 10 70 AEIERN CCN(C)C(=O)N1[C@H](C)CCC[C@H]1C 161265765 520183414 /nfs/dbraw/zinc/18/34/14/520183414.db2.gz WBAIEASUXWQYDS-NXEZZACHSA-N 0 0 198.310 2.321 10 70 AEIERN Cc1cc(C)nc(NC[C@H]2C[C@@H]2C)n1 160422445 524588400 /nfs/dbraw/zinc/58/84/00/524588400.db2.gz WUHRTZBSYPMPDF-OIBJUYFYSA-N 0 0 191.278 2.161 10 70 AEIERN