smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(O/C=C\[SiH](C)C)c1 216026382 168870938 /nfs/dbraw/zinc/87/09/38/168870938.db2.gz LARXRZQCPLUXSJ-FPLPWBNLSA-N 0 0 192.334 2.913 10 70 AFIERN Nc1ncc(CC2CCCCC2)s1 159882040 344154061 /nfs/dbraw/zinc/15/40/61/344154061.db2.gz JDZALRHOIRRVPR-UHFFFAOYSA-N 0 0 196.319 2.848 10 70 AFIERN CO[C@H](C)CNc1c(C)cccc1F 160315873 344162994 /nfs/dbraw/zinc/16/29/94/344162994.db2.gz KNYXINRKJNCWIJ-SECBINFHSA-N 0 0 197.253 2.581 10 70 AFIERN CONC1CCC2(CCCC2)CC1 161369136 344190400 /nfs/dbraw/zinc/19/04/00/344190400.db2.gz KWOGTMQJOQUYGU-UHFFFAOYSA-N 0 0 183.295 2.640 10 70 AFIERN C[SiH](C)c1cccc2ccccc12 201069333 344364052 /nfs/dbraw/zinc/36/40/52/344364052.db2.gz GUOJEOIETKMINZ-UHFFFAOYSA-N 0 0 186.330 2.534 10 70 AFIERN CCC[SiH](CC)CC 202493983 344367208 /nfs/dbraw/zinc/36/72/08/344367208.db2.gz MHRJRZALUJMAED-UHFFFAOYSA-N 0 0 130.307 2.663 10 70 AFIERN C(=C1CCOCC1)c1ccccc1 217967789 344408526 /nfs/dbraw/zinc/40/85/26/344408526.db2.gz AIXWPLCKZAUHPJ-UHFFFAOYSA-N 0 0 174.243 2.880 10 70 AFIERN C[C@H]1C[C@H](C)CC[C@H]1Nn1cccc1 218020755 344408945 /nfs/dbraw/zinc/40/89/45/344408945.db2.gz IJWHZBQTINRYLU-GRYCIOLGSA-N 0 0 192.306 2.856 10 70 AFIERN CC[C@H](C)c1noc(C(C)C)n1 218588316 344414116 /nfs/dbraw/zinc/41/41/16/344414116.db2.gz HGTXHWDUUZFVSO-ZETCQYMHSA-N 0 0 168.240 2.707 10 70 AFIERN CC(=O)c1ccc(F)c(C2CC2)c1 159744813 344151901 /nfs/dbraw/zinc/15/19/01/344151901.db2.gz HWWAJDGSLSSQKA-UHFFFAOYSA-N 0 0 178.206 2.906 10 70 AFIERN CCOc1cc2c(cc1F)NCCC2 159838791 344153165 /nfs/dbraw/zinc/15/31/65/344153165.db2.gz DXQUHGWXVQQURU-UHFFFAOYSA-N 0 0 195.237 2.583 10 70 AFIERN CC(C)(C)CCc1cnc(N)s1 159878775 344153569 /nfs/dbraw/zinc/15/35/69/344153569.db2.gz VFDMYHYEEWCLHC-UHFFFAOYSA-N 0 0 184.308 2.704 10 70 AFIERN Cc1ncsc1C(=O)C(C)(C)C 159932530 344154432 /nfs/dbraw/zinc/15/44/32/344154432.db2.gz HKHJGSNYVXIUCT-UHFFFAOYSA-N 0 0 183.276 2.680 10 70 AFIERN Cc1ccc(N[C@H](C)C2CCC2)nc1 160062178 344157494 /nfs/dbraw/zinc/15/74/94/344157494.db2.gz PUKONUKMYFMFGI-SNVBAGLBSA-N 0 0 190.290 2.991 10 70 AFIERN CCCc1nccn1CCSCC 160238142 344160462 /nfs/dbraw/zinc/16/04/62/344160462.db2.gz GCRLJURYUUXMHR-UHFFFAOYSA-N 0 0 198.335 2.589 10 70 AFIERN CO[C@@H](C)CNc1c(C)cccc1F 160315967 344162732 /nfs/dbraw/zinc/16/27/32/344162732.db2.gz KNYXINRKJNCWIJ-VIFPVBQESA-N 0 0 197.253 2.581 10 70 AFIERN O=C(CC1CCC1)c1cncc(F)c1 160304035 344162823 /nfs/dbraw/zinc/16/28/23/344162823.db2.gz OMILUBMVMPPWDE-UHFFFAOYSA-N 0 0 193.221 2.594 10 70 AFIERN Cc1ncsc1C(=O)CC1CCC1 160314396 344162836 /nfs/dbraw/zinc/16/28/36/344162836.db2.gz UPFCJEXCNYOMKU-UHFFFAOYSA-N 0 0 195.287 2.824 10 70 AFIERN CC[C@@H](C)Nc1ncc(F)cc1F 160368222 344163144 /nfs/dbraw/zinc/16/31/44/344163144.db2.gz SQNHWBLNSGNILU-ZCFIWIBFSA-N 0 0 186.205 2.570 10 70 AFIERN Cc1cc2c(cc1F)NC[C@H](C)C2 160364911 344163455 /nfs/dbraw/zinc/16/34/55/344163455.db2.gz GUKKUCCRPGEFSB-SSDOTTSWSA-N 0 0 179.238 2.738 10 70 AFIERN CC[C@H](C)Nc1ncc(F)cc1F 160368339 344163523 /nfs/dbraw/zinc/16/35/23/344163523.db2.gz SQNHWBLNSGNILU-LURJTMIESA-N 0 0 186.205 2.570 10 70 AFIERN COc1cc2c(cc1F)NCC2(C)C 160365665 344163525 /nfs/dbraw/zinc/16/35/25/344163525.db2.gz KUSKXEXXPACWQF-UHFFFAOYSA-N 0 0 195.237 2.537 10 70 AFIERN Cc1cc2c(cc1F)NC[C@@H](C)C2 160365047 344163574 /nfs/dbraw/zinc/16/35/74/344163574.db2.gz GUKKUCCRPGEFSB-ZETCQYMHSA-N 0 0 179.238 2.738 10 70 AFIERN CC1(C)C[C@@H]1Nc1ncc(F)cc1F 160372716 344163986 /nfs/dbraw/zinc/16/39/86/344163986.db2.gz CMHUQZUNNFJIEX-QMMMGPOBSA-N 0 0 198.216 2.570 10 70 AFIERN CC1(C)C[C@H]1Nc1ncc(F)cc1F 160372829 344164060 /nfs/dbraw/zinc/16/40/60/344164060.db2.gz CMHUQZUNNFJIEX-MRVPVSSYSA-N 0 0 198.216 2.570 10 70 AFIERN Fc1cnc(NCCC2CC2)c(F)c1 160374775 344164070 /nfs/dbraw/zinc/16/40/70/344164070.db2.gz YMPTWSIBMCJGOJ-UHFFFAOYSA-N 0 0 198.216 2.572 10 70 AFIERN CCSCCn1ccnc1C(C)C 160399177 344164534 /nfs/dbraw/zinc/16/45/34/344164534.db2.gz BYSRFVNRFOFTIC-UHFFFAOYSA-N 0 0 198.335 2.760 10 70 AFIERN COc1cc(OC)c2c(C)coc2c1 160622250 344172002 /nfs/dbraw/zinc/17/20/02/344172002.db2.gz NZVKZCQWVUFEHE-UHFFFAOYSA-N 0 0 192.214 2.758 10 70 AFIERN COCCc1ccc2occ(C)c2c1 160628296 344172147 /nfs/dbraw/zinc/17/21/47/344172147.db2.gz UYTHKYVIDRLKCF-UHFFFAOYSA-N 0 0 190.242 2.930 10 70 AFIERN CO[C@H](C)CNc1c(C)cccc1C 160661350 344173098 /nfs/dbraw/zinc/17/30/98/344173098.db2.gz JPCWSQWVWIPUFL-LLVKDONJSA-N 0 0 193.290 2.750 10 70 AFIERN CO[C@@H](C)CNc1cc(C)ccc1C 160661720 344173201 /nfs/dbraw/zinc/17/32/01/344173201.db2.gz VFBFBVLZNXZDEY-NSHDSACASA-N 0 0 193.290 2.750 10 70 AFIERN CO[C@H](C)CNc1cc(C)ccc1C 160661605 344173254 /nfs/dbraw/zinc/17/32/54/344173254.db2.gz VFBFBVLZNXZDEY-LLVKDONJSA-N 0 0 193.290 2.750 10 70 AFIERN CO[C@@H](C)CNc1c(C)cccc1C 160661482 344173393 /nfs/dbraw/zinc/17/33/93/344173393.db2.gz JPCWSQWVWIPUFL-NSHDSACASA-N 0 0 193.290 2.750 10 70 AFIERN CCc1ccc(C(=O)C(F)(F)F)o1 160802206 344178261 /nfs/dbraw/zinc/17/82/61/344178261.db2.gz IXNWNZRZDHHILU-UHFFFAOYSA-N 0 0 192.136 2.587 10 70 AFIERN Cc1cc(C(=O)C(F)(F)F)c(C)o1 160801596 344178515 /nfs/dbraw/zinc/17/85/15/344178515.db2.gz GZRGGRNCOXGSQJ-UHFFFAOYSA-N 0 0 192.136 2.641 10 70 AFIERN CC1(C)CC(NC#N)CC(C)(C)C1 161235028 344187791 /nfs/dbraw/zinc/18/77/91/344187791.db2.gz JIURGPZFQIGCIE-UHFFFAOYSA-N 0 0 180.295 2.662 10 70 AFIERN Cc1cc(O)ccc1-c1ccccn1 161391311 344190742 /nfs/dbraw/zinc/19/07/42/344190742.db2.gz AUWMBPKCDVINBX-UHFFFAOYSA-N 0 0 185.226 2.763 10 70 AFIERN Cc1cc(C(=O)c2cccs2)co1 161418114 344191343 /nfs/dbraw/zinc/19/13/43/344191343.db2.gz YNJQJYMOXNWBEL-UHFFFAOYSA-N 0 0 192.239 2.881 10 70 AFIERN C[SiH](C)c1ccc2ccccc2c1 201069486 344364194 /nfs/dbraw/zinc/36/41/94/344364194.db2.gz UVSLYYNITYBHPJ-UHFFFAOYSA-N 0 0 186.330 2.534 10 70 AFIERN CCC[SiH](C)CCC 207509626 344376142 /nfs/dbraw/zinc/37/61/42/344376142.db2.gz SKMTXVIOYMODNM-UHFFFAOYSA-N 0 0 130.307 2.663 10 70 AFIERN C/C=C/c1ccc2c(c1C)COC2=O 216639453 344398770 /nfs/dbraw/zinc/39/87/70/344398770.db2.gz YYBNAIPVTVYVFE-ONEGZZNKSA-N 0 0 188.226 2.699 10 70 AFIERN c1ccc2c(c1)NCCC21CCC1 216790888 344399081 /nfs/dbraw/zinc/39/90/81/344399081.db2.gz BIMWBOOXQQHJQH-UHFFFAOYSA-N 0 0 173.259 2.924 10 70 AFIERN COc1ccc2c(c1)C(C)(C)COC2 217072690 344400195 /nfs/dbraw/zinc/40/01/95/344400195.db2.gz KQOOSPILMDCWDT-UHFFFAOYSA-N 0 0 192.258 2.503 10 70 AFIERN CCCCC(F)(F)F 217400975 344401217 /nfs/dbraw/zinc/40/12/17/344401217.db2.gz JOCHXSBZMZFAEI-UHFFFAOYSA-N 0 0 125.113 2.553 10 70 AFIERN CC(C)[C@H](C)C(=O)N(C(C)C)C(C)C 217582497 344403538 /nfs/dbraw/zinc/40/35/38/344403538.db2.gz FFKJABVLVRHQKK-NSHDSACASA-N 0 0 199.338 2.924 10 70 AFIERN CC(C)[C@@H](C)C(=O)N(C(C)C)C(C)C 217582427 344403556 /nfs/dbraw/zinc/40/35/56/344403556.db2.gz FFKJABVLVRHQKK-LLVKDONJSA-N 0 0 199.338 2.924 10 70 AFIERN CNc1cccc(-c2ccco2)c1 217710019 344404922 /nfs/dbraw/zinc/40/49/22/344404922.db2.gz XEOQIUBSYJWKCI-UHFFFAOYSA-N 0 0 173.215 2.988 10 70 AFIERN CCCc1cn2cc(C)ccc2n1 217861152 344407154 /nfs/dbraw/zinc/40/71/54/344407154.db2.gz URHJISLUCJAXSP-UHFFFAOYSA-N 0 0 174.247 2.595 10 70 AFIERN CC/C(=C/C(C)(C)C)[N+](=O)[O-] 217998547 344408779 /nfs/dbraw/zinc/40/87/79/344408779.db2.gz CHGBJPLDLYFONX-SREVYHEPSA-N 0 0 157.213 2.603 10 70 AFIERN CC[C@@H](C)Nc1ncc(C)s1 218000169 344408785 /nfs/dbraw/zinc/40/87/85/344408785.db2.gz BTDBEGAKAUKRLG-ZCFIWIBFSA-N 0 0 170.281 2.662 10 70 AFIERN C/C=C/COc1ccc(F)cc1F 218033778 344409192 /nfs/dbraw/zinc/40/91/92/344409192.db2.gz ILSPBRHUHNCUHZ-NSCUHMNNSA-N 0 0 184.185 2.920 10 70 AFIERN CCNc1cncc2ccccc12 218041798 344409241 /nfs/dbraw/zinc/40/92/41/344409241.db2.gz GEUCCUYKCWENFC-UHFFFAOYSA-N 0 0 172.231 2.667 10 70 AFIERN CCNc1ccc2sncc2c1 218045829 344409258 /nfs/dbraw/zinc/40/92/58/344409258.db2.gz XLZXFVYRLMCEDU-UHFFFAOYSA-N 0 0 178.260 2.728 10 70 AFIERN C[C@H]1C[C@H](C)CC[C@@H]1Nn1cccc1 218020916 344409306 /nfs/dbraw/zinc/40/93/06/344409306.db2.gz IJWHZBQTINRYLU-WOPDTQHZSA-N 0 0 192.306 2.856 10 70 AFIERN CC/C(=C/c1ccc(C)o1)[N+](=O)[O-] 218259936 344411120 /nfs/dbraw/zinc/41/11/20/344411120.db2.gz DINQBJRZDQTLDB-VURMDHGXSA-N 0 0 181.191 2.616 10 70 AFIERN CCOc1c(F)ccc(F)c1C 218473777 344412771 /nfs/dbraw/zinc/41/27/71/344412771.db2.gz KZWLSIWCFHSRMT-UHFFFAOYSA-N 0 0 172.174 2.672 10 70 AFIERN CC[C@@H](C)c1noc(C(C)C)n1 218588239 344413960 /nfs/dbraw/zinc/41/39/60/344413960.db2.gz HGTXHWDUUZFVSO-SSDOTTSWSA-N 0 0 168.240 2.707 10 70 AFIERN CCCc1noc(-c2cccs2)n1 218614646 344414046 /nfs/dbraw/zinc/41/40/46/344414046.db2.gz KFGMSVHFFQZSBO-UHFFFAOYSA-N 0 0 194.259 2.751 10 70 AFIERN CC[C@@]1(C)CNc2ccccc21 218681907 344414795 /nfs/dbraw/zinc/41/47/95/344414795.db2.gz CZBXRCVVBICGEU-NSHDSACASA-N 0 0 161.248 2.780 10 70 AFIERN CN(CCC(C)(C)C)CC(F)(F)F 218661383 344414971 /nfs/dbraw/zinc/41/49/71/344414971.db2.gz IEOAZIUYRKFGMR-UHFFFAOYSA-N 0 0 197.244 2.917 10 70 AFIERN CC[C@]1(C)CNc2ccccc21 218681844 344415019 /nfs/dbraw/zinc/41/50/19/344415019.db2.gz CZBXRCVVBICGEU-LLVKDONJSA-N 0 0 161.248 2.780 10 70 AFIERN C1CC[SiH]([SiH]2CCCCC2)CC1 584599759 346719759 /nfs/dbraw/zinc/71/97/59/346719759.db2.gz MVEBXOAGUORHCG-UHFFFAOYSA-N 0 0 198.458 2.887 10 70 AFIERN C[C@@H](c1ccccc1)[SiH](C)C 584607292 346723249 /nfs/dbraw/zinc/72/32/49/346723249.db2.gz QBWODKINYDJYOW-VIFPVBQESA-N 0 0 164.324 2.816 10 70 AFIERN C[C@H](c1ccccc1)[SiH](C)C 584607289 346723360 /nfs/dbraw/zinc/72/33/60/346723360.db2.gz QBWODKINYDJYOW-SECBINFHSA-N 0 0 164.324 2.816 10 70 AFIERN CCCCCC#C[SiH](C)C 584617265 346730119 /nfs/dbraw/zinc/73/01/19/346730119.db2.gz HPRSZWNATDKHPO-UHFFFAOYSA-N 0 0 154.329 2.596 10 70 AFIERN Cc1cccc(O/C=C/[SiH](C)C)c1 216026434 351787351 /nfs/dbraw/zinc/78/73/51/351787351.db2.gz LARXRZQCPLUXSJ-BQYQJAHWSA-N 0 0 192.334 2.913 10 70 AFIERN C[SiH](C)C#CC1=CCCCC1 584609535 371836452 /nfs/dbraw/zinc/83/64/52/371836452.db2.gz RRMTXUCHYUCSIO-UHFFFAOYSA-N 0 0 164.324 2.516 10 70 AFIERN CCC(CC)(OC)C(=O)C(C)(C)C 159366205 573166611 /nfs/dbraw/zinc/16/66/11/573166611.db2.gz XNFIAQVPKFAUEF-UHFFFAOYSA-N 0 0 186.295 2.807 10 70 AFIERN CCOC(=O)C/C=C\c1cccs1 217957065 573209258 /nfs/dbraw/zinc/20/92/58/573209258.db2.gz CNJKRICOBKHKCC-HYXAFXHYSA-N 0 0 196.271 2.715 10 70 AFIERN CCCCCC[C@]1(O)CCCCC1=O 218105588 573485853 /nfs/dbraw/zinc/48/58/53/573485853.db2.gz XQCMSIHGQNHFBT-LBPRGKRZSA-N 0 0 198.306 2.831 10 70 AFIERN CCOC(=O)C/C=C\C(C)(C)C 217562140 573946626 /nfs/dbraw/zinc/94/66/26/573946626.db2.gz NHISWROUFMFVJD-VURMDHGXSA-N 0 0 170.252 2.542 10 70 AFIERN Cc1cccc(SC[C@H](C)CO)c1 160829366 538047478 /nfs/dbraw/zinc/04/74/78/538047478.db2.gz YZGFWIRKHHTQDQ-SNVBAGLBSA-N 0 0 196.315 2.716 10 70 AFIERN Cc1ccccc1SC[C@H](C)CO 160828788 538049967 /nfs/dbraw/zinc/04/99/67/538049967.db2.gz VTHGBEKZGHYTCB-SECBINFHSA-N 0 0 196.315 2.716 10 70 AFIERN Cc1cccc(SC[C@@H](C)CO)c1 160829225 538051156 /nfs/dbraw/zinc/05/11/56/538051156.db2.gz YZGFWIRKHHTQDQ-JTQLQIEISA-N 0 0 196.315 2.716 10 70 AFIERN CCc1nsc(NC(C)(C)CC)n1 161405707 538057600 /nfs/dbraw/zinc/05/76/00/538057600.db2.gz VWYINBSMZNDGME-UHFFFAOYSA-N 0 0 199.323 2.701 10 70 AFIERN Cc1ccc(C(=O)CCC2CC2)cn1 160660053 571986935 /nfs/dbraw/zinc/98/69/35/571986935.db2.gz LYICVTMNSQEHKJ-UHFFFAOYSA-N 0 0 189.258 2.763 10 70 AFIERN CCCC[C@H](O)[C@H](C)C[SiH](C)C 238235856 572418770 /nfs/dbraw/zinc/41/87/70/572418770.db2.gz ITMNAXKNWKOGQI-ZJUUUORDSA-N 0 0 188.387 2.660 10 70 AFIERN CC[C@@H](CC(C)C)C(=O)N=[N+]=[N-] 238800077 572437308 /nfs/dbraw/zinc/43/73/08/572437308.db2.gz PMBCWQNSZWMTCX-ZETCQYMHSA-N 0 0 169.228 2.896 10 70 AFIERN CC[C@H](CC(C)C)C(=O)N=[N+]=[N-] 238293986 572535777 /nfs/dbraw/zinc/53/57/77/572535777.db2.gz PMBCWQNSZWMTCX-SSDOTTSWSA-N 0 0 169.228 2.896 10 70 AFIERN C=CCC(CC=C)C(=O)N=[N+]=[N-] 238047217 572917182 /nfs/dbraw/zinc/91/71/82/572917182.db2.gz NJUKZFBSXAXUFE-UHFFFAOYSA-N 0 0 165.196 2.592 10 70 AFIERN Cc1cn2c(cn1)cc1ccccc12 217927919 573196193 /nfs/dbraw/zinc/19/61/93/573196193.db2.gz WDVCYHFLDDOZNS-UHFFFAOYSA-N 0 0 182.226 2.796 10 70 AFIERN CO[C@@H](C(=O)C1CC1)C1CCCCC1 159473639 573392791 /nfs/dbraw/zinc/39/27/91/573392791.db2.gz PDNWRMDMYVQIDV-GFCCVEGCSA-N 0 0 196.290 2.561 10 70 AFIERN CC(C)(C)[SiH](C#CC=O)C(C)(C)C 238111465 573783131 /nfs/dbraw/zinc/78/31/31/573783131.db2.gz SIKIAIYRCBIYTJ-UHFFFAOYSA-N 0 0 196.366 2.555 10 70 AFIERN C/C(=C/C/C=C\C(C)(C)C)CC(N)=O 218375079 573912890 /nfs/dbraw/zinc/91/28/90/573912890.db2.gz SMJBZPPYVHBYTQ-YOYBIJIWSA-N 0 0 195.306 2.801 10 70 AFIERN OC[C@H]1CCC/C1=C/c1cccs1 217696975 574021322 /nfs/dbraw/zinc/02/13/22/574021322.db2.gz HWXZYKBLCNUJTC-UJICNMFASA-N 0 0 194.299 2.924 10 70 AFIERN C[C@@H](CNCC(F)(F)F)C(C)(C)C 160923484 571771806 /nfs/dbraw/zinc/77/18/06/571771806.db2.gz RRWOMEVPZOHHMR-ZETCQYMHSA-N 0 0 197.244 2.821 10 70 AFIERN Cc1cncc([C@H](O)CCC2CC2)c1 160521089 571857898 /nfs/dbraw/zinc/85/78/98/571857898.db2.gz KMOMRZGRGDKKHJ-GFCCVEGCSA-N 0 0 191.274 2.614 10 70 AFIERN Cc1ncccc1[C@@H](O)CCC1CC1 160527454 571867372 /nfs/dbraw/zinc/86/73/72/571867372.db2.gz LBTMNGKYMGUVFH-LBPRGKRZSA-N 0 0 191.274 2.614 10 70 AFIERN CO[C@@H](C)CCC(=O)CCC1CC1 160675013 572010889 /nfs/dbraw/zinc/01/08/89/572010889.db2.gz YFJVMRVZRIMTKZ-VIFPVBQESA-N 0 0 184.279 2.561 10 70 AFIERN C/C=C\C[C@@H]1C(=O)CCC[C@H]1C 216859621 572044576 /nfs/dbraw/zinc/04/45/76/572044576.db2.gz UWQMZEAFIYCAKO-QKMQQOOLSA-N 0 0 166.264 2.958 10 70 AFIERN CCCCCCC[C@@H](O)[SiH](C)C 238230588 572403295 /nfs/dbraw/zinc/40/32/95/572403295.db2.gz XGABIGGGECJSAE-JTQLQIEISA-N 0 0 188.387 2.734 10 70 AFIERN CCCC[C@@H]1C[C@H]1C(=O)N=[N+]=[N-] 238795215 572411005 /nfs/dbraw/zinc/41/10/05/572411005.db2.gz UDLKAOQPLZRCKT-RNFRBKRXSA-N 0 0 167.212 2.650 10 70 AFIERN CCCC[C@@H]1C[C@@H]1C(=O)N=[N+]=[N-] 238795140 572408601 /nfs/dbraw/zinc/40/86/01/572408601.db2.gz UDLKAOQPLZRCKT-RQJHMYQMSA-N 0 0 167.212 2.650 10 70 AFIERN CCCC[C@H](O)[C@@H](C)C[SiH](C)C 238234648 572413920 /nfs/dbraw/zinc/41/39/20/572413920.db2.gz ITMNAXKNWKOGQI-UWVGGRQHSA-N 0 0 188.387 2.660 10 70 AFIERN CCCC[C@@H](O)[C@@H](C)C[SiH](C)C 238794245 572414475 /nfs/dbraw/zinc/41/44/75/572414475.db2.gz ITMNAXKNWKOGQI-VHSXEESVSA-N 0 0 188.387 2.660 10 70 AFIERN CCCC[C@@H](O)[C@H](C)C[SiH](C)C 238794327 572414914 /nfs/dbraw/zinc/41/49/14/572414914.db2.gz ITMNAXKNWKOGQI-NXEZZACHSA-N 0 0 188.387 2.660 10 70 AFIERN CCCCCCC[C@H](O)[SiH](C)C 238235979 572416821 /nfs/dbraw/zinc/41/68/21/572416821.db2.gz XGABIGGGECJSAE-SNVBAGLBSA-N 0 0 188.387 2.734 10 70 AFIERN CCCC[C@H]1C[C@@H]1C(=O)N=[N+]=[N-] 238245367 572453841 /nfs/dbraw/zinc/45/38/41/572453841.db2.gz UDLKAOQPLZRCKT-BQBZGAKWSA-N 0 0 167.212 2.650 10 70 AFIERN CC[SiH](CC)[C@@H](C)CC(C)=O 238272002 572500272 /nfs/dbraw/zinc/50/02/72/572500272.db2.gz QSBULABQUOSDAL-VIFPVBQESA-N 0 0 172.344 2.623 10 70 AFIERN CC[C@H]1C(C(=O)N=[N+]=[N-])[C@@H]1CC 238285076 572520874 /nfs/dbraw/zinc/52/08/74/572520874.db2.gz XQAVWLDTRORPEH-PHDIDXHHSA-N 0 0 167.212 2.506 10 70 AFIERN CC[C@@H]1C(C(=O)N=[N+]=[N-])[C@H]1CC 238299404 572540799 /nfs/dbraw/zinc/54/07/99/572540799.db2.gz XQAVWLDTRORPEH-WDSKDSINSA-N 0 0 167.212 2.506 10 70 AFIERN CCC#C[SiH](C(C)C)C(C)C 306597690 572673189 /nfs/dbraw/zinc/67/31/89/572673189.db2.gz OQEVXBRGEADPGR-UHFFFAOYSA-N 0 0 168.356 2.986 10 70 AFIERN C[C@@H](Cc1ccccc1)C(=O)N=[N+]=[N-] 238410002 572699189 /nfs/dbraw/zinc/69/91/89/572699189.db2.gz SPCAPLLELGFJML-QMMMGPOBSA-N 0 0 189.218 2.702 10 70 AFIERN C[C@H](Cc1ccccc1)C(=O)N=[N+]=[N-] 238462708 572725610 /nfs/dbraw/zinc/72/56/10/572725610.db2.gz SPCAPLLELGFJML-MRVPVSSYSA-N 0 0 189.218 2.702 10 70 AFIERN C=C=C([C@H](O)CCCCC)[SiH](C)C 308120471 572784640 /nfs/dbraw/zinc/78/46/40/572784640.db2.gz GSHCTWLUFOXDDH-SNVBAGLBSA-N 0 0 198.382 2.665 10 70 AFIERN CC(C)(C)[SiH](CCO)C(C)(C)C 238111554 572936874 /nfs/dbraw/zinc/93/68/74/572936874.db2.gz UXRZVUIQCPVZSF-UHFFFAOYSA-N 0 0 188.387 2.806 10 70 AFIERN C/C(=C/C=C\C(C)(C)C)CO 217724587 573004387 /nfs/dbraw/zinc/00/43/87/573004387.db2.gz LWEQUQQFNMVWOK-BSIYMUDXSA-N 0 0 154.253 2.527 10 70 AFIERN CC[SiH](CC)[C@H](C)CC(C)=O 238272038 573084397 /nfs/dbraw/zinc/08/43/97/573084397.db2.gz QSBULABQUOSDAL-SECBINFHSA-N 0 0 172.344 2.623 10 70 AFIERN CNc1ccc(OCC2CC2)cc1C 217821300 573110371 /nfs/dbraw/zinc/11/03/71/573110371.db2.gz NBXRDFVKSUGJLR-UHFFFAOYSA-N 0 0 191.274 2.826 10 70 AFIERN CC/C=C(\C(C)C)[C@H](O)C(C)C 218490315 573118331 /nfs/dbraw/zinc/11/83/31/573118331.db2.gz UOEJOAMGJFAMQN-PFEDMVJOSA-N 0 0 170.296 2.996 10 70 AFIERN CCC(CC)(OC)C(=O)c1ccco1 159364709 573168353 /nfs/dbraw/zinc/16/83/53/573168353.db2.gz LAPFVYAYDXBXHH-UHFFFAOYSA-N 0 0 196.246 2.668 10 70 AFIERN CCC(CC)(OC)C(=O)C1CCCC1 159372821 573168823 /nfs/dbraw/zinc/16/88/23/573168823.db2.gz ILBZZFHPGOPAEH-UHFFFAOYSA-N 0 0 198.306 2.951 10 70 AFIERN CCC(CC)(OC)C(=O)CC1CCC1 159371483 573172747 /nfs/dbraw/zinc/17/27/47/573172747.db2.gz PPGVRTSNHPKGNW-UHFFFAOYSA-N 0 0 198.306 2.951 10 70 AFIERN CCOC1(C(=O)C2CCC2)CCCC1 159374897 573173008 /nfs/dbraw/zinc/17/30/08/573173008.db2.gz LFYGRGAXXLCARL-UHFFFAOYSA-N 0 0 196.290 2.705 10 70 AFIERN CCOC1(C(=O)C(C)(C)C)CCCC1 159380142 573173449 /nfs/dbraw/zinc/17/34/49/573173449.db2.gz NRVDDSQOEJZXFH-UHFFFAOYSA-N 0 0 198.306 2.951 10 70 AFIERN CCOC1(C(=O)[C@@H](C)CC)CCCC1 159374745 573173721 /nfs/dbraw/zinc/17/37/21/573173721.db2.gz ZEASTSVUWXANSX-JTQLQIEISA-N 0 0 198.306 2.951 10 70 AFIERN CCC(CC)(OC)C(=O)CCC1CC1 159368715 573174564 /nfs/dbraw/zinc/17/45/64/573174564.db2.gz WUPYVVYZWHJMRV-UHFFFAOYSA-N 0 0 198.306 2.951 10 70 AFIERN CCOC1(C(=O)C(C)C)CCCC1 159375753 573174776 /nfs/dbraw/zinc/17/47/76/573174776.db2.gz WBOZNVPPGSDWJD-UHFFFAOYSA-N 0 0 184.279 2.561 10 70 AFIERN CCOC1(C(=O)CC2CC2)CCCC1 159378524 573174785 /nfs/dbraw/zinc/17/47/85/573174785.db2.gz SHUWJFVLFPRFLV-UHFFFAOYSA-N 0 0 196.290 2.705 10 70 AFIERN CCOC1(C(=O)[C@H](C)CC)CCCC1 159374586 573175751 /nfs/dbraw/zinc/17/57/51/573175751.db2.gz ZEASTSVUWXANSX-SNVBAGLBSA-N 0 0 198.306 2.951 10 70 AFIERN COC1(C(=O)CC2CC2)CCCCC1 159388753 573177731 /nfs/dbraw/zinc/17/77/31/573177731.db2.gz XBTJQFHKQBGTBN-UHFFFAOYSA-N 0 0 196.290 2.705 10 70 AFIERN CCOC1(C(=O)C(C)C)CCCCC1 159395250 573181523 /nfs/dbraw/zinc/18/15/23/573181523.db2.gz WABKHKKAQROOQL-UHFFFAOYSA-N 0 0 198.306 2.951 10 70 AFIERN CCCCN(C)C(=O)Nc1ccco1 217272022 573197046 /nfs/dbraw/zinc/19/70/46/573197046.db2.gz IQWCXIVRYQHNAE-UHFFFAOYSA-N 0 0 196.250 2.543 10 70 AFIERN C/C=C/CCC(=O)NC1CCCCC1 217335191 573318113 /nfs/dbraw/zinc/31/81/13/573318113.db2.gz ORBWFRFXAUDICQ-NSCUHMNNSA-N 0 0 195.306 2.792 10 70 AFIERN CC[P@@](=O)(CC=O)OC(C)C 216852613 573366995 /nfs/dbraw/zinc/36/69/95/573366995.db2.gz RTVQLLYDVXCZFR-GZTOBOFZSA-N 0 0 178.168 2.739 10 70 AFIERN CCCCC[C@@H](O)/C=C/C(F)F 218294530 573718532 /nfs/dbraw/zinc/71/85/32/573718532.db2.gz UJNAQYLVJNSNNT-HYDMIIDASA-N 0 0 178.222 2.749 10 70 AFIERN C[SiH](C)C(C)(C)c1ccc(O)cc1 238510508 573774133 /nfs/dbraw/zinc/77/41/33/573774133.db2.gz DSSOBLZACCYKMQ-UHFFFAOYSA-N 0 0 194.350 2.696 10 70 AFIERN CC(/C=C/c1cccs1)=C\CO 216788214 573992410 /nfs/dbraw/zinc/99/24/10/573992410.db2.gz FYJWQXBPCWERRI-HSKKLARCSA-N 0 0 180.272 2.700 10 70 AFIERN CC(C)CCCC(=O)N(C)C(C)C 218097404 487029099 /nfs/dbraw/zinc/02/90/99/487029099.db2.gz PHKVYYAJVXNJEM-UHFFFAOYSA-N 0 0 185.311 2.680 10 70 AFIERN C[SiH](c1ccccc1)C1CCCC1 584602857 487294627 /nfs/dbraw/zinc/29/46/27/487294627.db2.gz FYUFNYUPGGJZCI-UHFFFAOYSA-N 0 0 190.362 2.695 10 70 AFIERN C/C=C(\C)C(=O)Oc1cccc(C)c1 217847703 582478780 /nfs/dbraw/zinc/47/87/80/582478780.db2.gz BFLKXDCTAGNSAB-ONNFQVAWSA-N 0 0 190.242 2.867 10 70 AFIERN Cc1cccc(C(=O)OCCCF)c1 218387860 582506502 /nfs/dbraw/zinc/50/65/02/582506502.db2.gz AVCSMYHDXRXGMA-UHFFFAOYSA-N 0 0 196.221 2.511 10 70 AFIERN CCCC(=O)O[C@H](C)c1ccco1 216680197 583485325 /nfs/dbraw/zinc/48/53/25/583485325.db2.gz AQFYQFKOOXLKHY-MRVPVSSYSA-N 0 0 182.219 2.684 10 70 AFIERN CCCC(=O)O[C@@H](C)c1ccco1 216680161 583485617 /nfs/dbraw/zinc/48/56/17/583485617.db2.gz AQFYQFKOOXLKHY-QMMMGPOBSA-N 0 0 182.219 2.684 10 70 AFIERN CCC(C)(CC)C(=O)OC1CC1 217567023 583490696 /nfs/dbraw/zinc/49/06/96/583490696.db2.gz LZEUUSQBNTUHEU-UHFFFAOYSA-N 0 0 170.252 2.518 10 70 AFIERN C/C=C(/C)C(=O)Oc1cccc(C)c1 217847784 583490789 /nfs/dbraw/zinc/49/07/89/583490789.db2.gz BFLKXDCTAGNSAB-WMZJFQQLSA-N 0 0 190.242 2.867 10 70 AFIERN CCC(C)(C)COC(=O)C(C)C 218726620 583492650 /nfs/dbraw/zinc/49/26/50/583492650.db2.gz ZMOPYYUMTVHJGM-UHFFFAOYSA-N 0 0 172.268 2.622 10 70 AFIERN FC1=CCCN(Cc2ccccc2)C1 218345582 490070263 /nfs/dbraw/zinc/07/02/63/490070263.db2.gz BWCVSBGDYUKDGV-UHFFFAOYSA-N 0 0 191.249 2.746 10 70 AFIERN