smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[SiH](C)c1cccc(F)c1 307544556 HIUBWZKLZYQXIZ-UHFFFAOYSA-N 154.260 1.519 70 30 ADIC BrC[C@@H]1C[C@@H]2C=C[C@H]1O2 142876406 QGTMMDGGDRKJIX-LYFYHCNISA-N 189.052 1.725 70 30 ADIC CCOC(=O)[C@@H]1C[C@@H]1[B-](F)(F)F 212407565 GKUOFPKWBDRZNO-UHNVWZDZSA-N 180.942 1.787 70 30 ADIC COCC1(S(=O)(=O)Cl)CCC1 675050660 GSMCKNFCJDWFLP-UHFFFAOYSA-N 198.671 1.124 70 30 ADIC O=S(=O)(Cl)c1cscn1 100553349 QBBJFQBYISAYRW-UHFFFAOYSA-N 183.641 1.071 70 30 ADIC in-vitro CCOC[B-](F)(F)F 203438258 OLHWRHLUICITAL-UHFFFAOYSA-N 126.894 1.410 70 30 ADIC COCCC1(S(=O)(=O)Cl)CC1 685945772 YLFOBHPMJUWRMZ-UHFFFAOYSA-N 198.671 1.124 70 30 ADIC Cc1cc(C)n(C[B-](F)(F)F)n1 203431290 BINKRNSOIVYKTN-UHFFFAOYSA-N 176.958 1.887 70 30 ADIC C[C@@H]1CCCCN1S(=O)(=O)Cl 100502790 YWRRIROUSRSMDL-ZCFIWIBFSA-N 197.687 1.344 70 30 ADIC CC(C)(CC#N)CS(=O)(=O)Cl 238853364 JIRPKLFAELKAPM-UHFFFAOYSA-N 195.671 1.495 70 30 ADIC N#C[C@@H]1CC[C@H](S(=O)(=O)Cl)C1 100553030 OXCYOVKRXSQRRR-RITPCOANSA-N 193.655 1.247 70 30 ADIC in-vitro CC(C)[C@H](C)CS(=O)(=O)Cl 104534957 MIOSINMTJQXFPB-ZCFIWIBFSA-N 184.688 1.847 70 30 ADIC Cc1conc1CS(=O)(=O)Cl 584880216 LHAJTEKVISPEMJ-UHFFFAOYSA-N 195.627 1.052 70 30 ADIC CC1(CS(=O)(=O)Cl)CCC1 100559687 HWELZJMCCBKRQX-UHFFFAOYSA-N 182.672 1.745 70 30 ADIC C[C@H]1CC[C@@H](S(=O)(=O)Cl)C1 100476633 LAWPWRMFASOZBC-NTSWFWBYSA-N 182.672 1.744 70 30 ADIC in-vitro CC[C@@H]1C[C@@H]1S(=O)(=O)Cl 101683782 PUQMHQZRKLEKOC-UHNVWZDZSA-N 168.645 1.354 70 30 ADIC O=S(=O)(Cl)C[C@H]1CC1(F)F 103597448 XRXKSUNMDGPHDA-GSVOUGTGSA-N 190.598 1.210 70 30 ADIC CO[SiH](OC)C1CCCC1 263590189 ZJJUBGNGLAAGQS-UHFFFAOYSA-N 160.289 1.444 70 30 ADIC O=S(=O)(Cl)CCCCF 95831690 SAWBBSTVVUPYAY-UHFFFAOYSA-N 174.624 1.305 70 30 ADIC in-vitro CC[C@H]1C[C@@H]1S(=O)(=O)Cl 101683786 PUQMHQZRKLEKOC-WHFBIAKZSA-N 168.645 1.354 70 30 ADIC CCB(Cl)N(C)C 195759014 AUFSVGUTOXBJAW-UHFFFAOYSA-N 119.404 1.295 70 30 ADIC CC(F)(F)CCCCO 218025780 GKYJSMQIKPYOIV-UHFFFAOYSA-N 138.157 1.804 70 30 ADIC CC[C@H]1C[C@H]1S(=O)(=O)Cl 101683793 PUQMHQZRKLEKOC-CRCLSJGQSA-N 168.645 1.354 70 30 ADIC C[SiH2]C=C(Cl)Cl 575444265 BUVFGESGZARVAX-UHFFFAOYSA-N 141.073 1.480 70 30 ADIC O=S(=O)(Cl)[C@@H]1C[C@H]2CCC[C@@H]21 685945726 BJQOVKRPWVEMSK-DSYKOEDSSA-N 194.683 1.744 70 30 ADIC Cc1ccc([B-](F)(F)F)c(C)n1 238472765 DLZAVFLLFHVROL-UHFFFAOYSA-N 173.954 1.753 70 30 ADIC CC(C)CCCS(=O)(=O)Cl 100474895 RSKNWLPGAZIHTP-UHFFFAOYSA-N 184.688 1.991 70 30 ADIC in-vitro CC[CH]C[SiH](OC)OC 263589463 KUTZKQLDBBPTHE-UHFFFAOYSA-N 147.270 1.114 70 30 ADIC CC1(C)CCc2[nH]ncc2C1 217862482 WLTJEAUPWVPLPA-UHFFFAOYSA-N 150.225 1.925 70 30 ADIC CC(C)[S@](C)(=N)=O 218318142 WQTVBSJHCGLRDL-SSDOTTSWSA-N 121.205 1.071 70 30 ADIC CN(C[B-](F)(F)F)CC(F)(F)F 203437852 QIRNDXJALVJMMZ-UHFFFAOYSA-N 193.907 1.867 70 30 ADIC CO[C@@H]1CCC[C@@H]1S(=O)(=O)Cl 238852868 HMNCIUASKYPWAQ-RITPCOANSA-N 198.671 1.123 70 30 ADIC C[C@@H]1CC[C@@H](CS(=O)(=O)Cl)O1 149974551 BZGJBIYJDZJKNH-RITPCOANSA-N 198.671 1.123 70 30 ADIC C[C@@H]1CC[C@H](S(=O)(=O)Cl)C1 100476624 LAWPWRMFASOZBC-RITPCOANSA-N 182.672 1.744 70 30 ADIC in-vitro O=S(=O)(Cl)C1[C@@H]2CCCC[C@@H]12 950757508 LXOVDAPLNCREPN-PHDIDXHHSA-N 194.683 1.744 70 30 ADIC C[SiH](C)C[SiH](C)C 195765982 PTQFHZAGGNQPDA-UHFFFAOYSA-N 132.355 1.499 70 30 ADIC Cc1cc(CS(=O)(=O)Cl)on1 100651074 FDPJZSWTOPFDNI-UHFFFAOYSA-N 195.627 1.052 70 30 ADIC in-vitro F[B-](F)(F)C[C@H]1CCOC1 306581205 OLGQQYDRROSGCX-RXMQYKEDSA-N 152.932 1.870 70 30 ADIC CC(F)(F)CCS(=O)(=O)Cl 213657959 XMDQSHBKYXDIOI-UHFFFAOYSA-N 192.614 1.600 70 30 ADIC O=S(=O)(Cl)CC(F)(F)Cl 221852395 VFUDXWIKAYBSRA-UHFFFAOYSA-N 199.005 1.387 70 30 ADIC O=S(=O)(Cl)c1cncs1 117308789 DMFPQQCIQDWBJK-UHFFFAOYSA-N 183.641 1.071 70 30 ADIC Fc1ccc([B-](F)(F)F)nc1 198084972 QVJBXGYPBSMYST-UHFFFAOYSA-N 163.890 1.275 70 30 ADIC C=C[SiH](Cl)Cl 195767061 BSGONOOEHPZOMN-UHFFFAOYSA-N 127.046 1.410 70 30 ADIC CC1(C)C[C@H](S(=O)(=O)Cl)CO1 306663146 VCORSXQABVZEKQ-YFKPBYRVSA-N 198.671 1.123 70 30 ADIC CC(C)(C#N)CCS(=O)(=O)Cl 114424159 NIWGOGWEGOXBHW-UHFFFAOYSA-N 195.671 1.495 70 30 ADIC N#CCC[SiH](Cl)Cl 195763178 FVDGYFSJCPUVFE-UHFFFAOYSA-N 154.072 1.598 70 30 ADIC O=S(=O)(Cl)[C@@H]1CC=CCC1 100461535 WMXMQKPNGZDMHX-ZCFIWIBFSA-N 180.656 1.664 70 30 ADIC in-vitro CCc1cc(S(=O)(=O)Cl)on1 2265347419 OMGSFPANXKQCHW-UHFFFAOYSA-N 195.627 1.165 70 30 ADIC C[C@H]1CC[C@H](CS(=O)(=O)Cl)O1 149974329 BZGJBIYJDZJKNH-NTSWFWBYSA-N 198.671 1.123 70 30 ADIC CCOC(=O)[C@@H]1C[C@H]1c1cncnc1 217664811 BZGIPLXJMCAOAB-DTWKUNHWSA-N 192.218 1.143 70 30 ADIC C[C@@H](Cl)CCS(=O)(=O)Cl 104534925 CXTHSJPWBHRPRW-SCSAIBSYSA-N 191.079 1.572 70 30 ADIC COC[C@@H](C)[B-](F)(F)F 203563940 VVRFKJSRXGJMTB-SCSAIBSYSA-N 140.921 1.870 70 30 ADIC CC(=O)CC[B-](F)(F)F 196296021 KSWUVRUMAYMAAZ-UHFFFAOYSA-N 138.905 1.813 70 30 ADIC C[C@H](Cl)S(=O)(=O)Cl 100486569 XUWDWJZNNYTMJV-UWTATZPHSA-N 163.025 1.140 70 30 ADIC in-vitro O=S(=O)(Cl)c1cnsc1 103558842 MUFPOTAJVCGUEX-UHFFFAOYSA-N 183.641 1.071 70 30 ADIC O=S(=O)(Cl)c1ccncc1F 97965340 JPSWDCLSCYOSMB-UHFFFAOYSA-N 195.602 1.148 70 30 ADIC CC1(C)C(=O)C[C@H]1CBr 146871914 HJPJUZODEYMDTN-YFKPBYRVSA-N 191.068 1.997 70 30 ADIC CC(C)C1(S(=O)(=O)Cl)CC1 238103876 JEERJZUNIBOLOX-UHFFFAOYSA-N 182.672 1.744 70 30 ADIC CCOC1CC(S(=O)(=O)Cl)C1 233732306 ABPRRUMOGZJVCQ-UHFFFAOYSA-N 198.671 1.123 70 30 ADIC CC[C@@H](C)N(C)S(=O)(=O)Cl 59174105 VUTLOAIFSSQAFM-RXMQYKEDSA-N 185.676 1.200 70 30 ADIC CSCCCS(=O)(=O)Cl 104539587 IXRHAYAJTSBQJY-UHFFFAOYSA-N 188.701 1.308 70 30 ADIC C[C@H]1CCC[C@H]1S(=O)(=O)Cl 114409462 ALVFJZXVRYIEGN-NTSWFWBYSA-N 182.672 1.744 70 30 ADIC CC(F)(F)CS(=O)(=O)Cl 212786901 MUHVCEAOLHMMMB-UHFFFAOYSA-N 178.587 1.210 70 30 ADIC COC(=O)N=[N+]=[N-] 39244689 QOHNHTHTTUJQEY-UHFFFAOYSA-N 101.065 1.063 70 30 ADIC in-vitro O=S(=O)(Cl)[C@H]1CCCOCC1 114411526 LRPMTTMFXZOIGB-LURJTMIESA-N 198.671 1.124 70 30 ADIC [N-]=[N+]=NC(=O)c1ccccn1 15785118 RUEMLKUMKKDJTF-UHFFFAOYSA-N 148.125 1.532 70 30 ADIC O=S(=O)(Cl)[C@@H]1C[C@@H]2CCC[C@H]21 685945729 BJQOVKRPWVEMSK-RRKCRQDMSA-N 194.683 1.744 70 30 ADIC O=S(=O)(Cl)[C@H]1CC=CCC1 100461536 WMXMQKPNGZDMHX-LURJTMIESA-N 180.656 1.664 70 30 ADIC in-vitro CC1(CCS(=O)(=O)Cl)CC1 100552843 MEQVPPZLZQZNRH-UHFFFAOYSA-N 182.672 1.745 70 30 ADIC in-vitro CC(C)(CF)CS(=O)(=O)Cl 213375803 ZSXTXNRJONAKLB-UHFFFAOYSA-N 188.651 1.551 70 30 ADIC O=S(=O)(Cl)C[C@H]1CC12CC2 575581922 AJJLJIWWWHHDNQ-RXMQYKEDSA-N 180.656 1.355 70 30 ADIC CC(C)(C)NC(=O)C[B-](F)(F)F 238095844 ZVXDSSWXJUUAHT-UHFFFAOYSA-N 181.974 1.749 70 30 ADIC N#CC1(CS(=O)(=O)Cl)CCC1 97972426 KAXFPLHSFGGLFV-UHFFFAOYSA-N 193.655 1.249 70 30 ADIC in-vitro CC(C)Cc1cn(C)nc1N 218599076 YVTCLAIGFVJUHG-UHFFFAOYSA-N 153.229 1.201 70 30 ADIC C#CCCCCS(=O)(=O)Cl 104544751 VYNDGSIDPUZLRH-UHFFFAOYSA-N 180.656 1.359 70 30 ADIC CCN(CC1CC1)S(=O)(=O)Cl 100485315 IYWMQCZWSSPUNN-UHFFFAOYSA-N 197.687 1.202 70 30 ADIC in-vitro CC1CC(S(=O)(=O)Cl)C1 232789730 BNGUSXMRIZCYFN-UHFFFAOYSA-N 168.645 1.354 70 30 ADIC C=C[Si@@H](C)O[Si](C)(C)C 2265296173 LQYWBUMNJJFXTD-MRVPVSSYSA-N 160.365 1.917 70 30 ADIC C[C@H](I)CF 114565129 UZDAMFWPNDILRQ-VKHMYHEASA-N 187.983 1.779 70 30 ADIC CN(CC1CCC1)S(=O)(=O)Cl 108312028 NRJXSGPDJCUVMK-UHFFFAOYSA-N 197.687 1.202 70 30 ADIC Cn1ccc(C(=O)OC(C)(C)C)n1 218594569 HELHFWRPOOMKMP-UHFFFAOYSA-N 182.223 1.375 70 30 ADIC CC1(CS(=O)(=O)Cl)CC1 100560080 NPUZLDVCLQJVNQ-UHFFFAOYSA-N 168.645 1.355 70 30 ADIC in-vitro F[B-](F)(F)COC[B-](F)(F)F 584883822 ODCRJICNFKUASG-UHFFFAOYSA-N 179.665 1.776 70 30 ADIC COCCOCC[B-](F)(F)F 203511882 UTOGJTDMIWOHET-UHFFFAOYSA-N 170.947 1.497 70 30 ADIC CC(C)O[B-](F)(F)F 223596481 JQAXVYCDLGFDEU-UHFFFAOYSA-N 126.894 1.756 70 30 ADIC O=S(=O)(Cl)CC1(CF)CC1 104452093 YICZDKAPQPYFQI-UHFFFAOYSA-N 186.635 1.305 70 30 ADIC N#CCc1cccc([B-](F)(F)F)c1 199464332 HNQUFRNKCXJREA-UHFFFAOYSA-N 183.949 1.807 70 30 ADIC in-vitro CCOC(=O)[C@@H]1C[C@@H]1c1cncnc1 217664658 BZGIPLXJMCAOAB-RKDXNWHRSA-N 192.218 1.143 70 30 ADIC O=S(=O)(Cl)[C@@H]1CCCOCC1 114411527 LRPMTTMFXZOIGB-ZCFIWIBFSA-N 198.671 1.124 70 30 ADIC CCOC(=O)[C@@H]1C[C@H]1[B-](F)(F)F 212407503 GKUOFPKWBDRZNO-RFZPGFLSSA-N 180.942 1.787 70 30 ADIC O=S(=O)(Cl)CCCC(F)F 213657874 DTRYOMRJWMCQHA-UHFFFAOYSA-N 192.614 1.600 70 30 ADIC O=S(=O)(Cl)CCCCCF 95721477 PJUGRUHVPVYZRK-UHFFFAOYSA-N 188.651 1.695 70 30 ADIC O=S(=O)(Cl)C1[C@H]2CCCC[C@H]12 950757509 LXOVDAPLNCREPN-WDSKDSINSA-N 194.683 1.744 70 30 ADIC CC[C@H](C)N(C)S(=O)(=O)Cl 59174107 VUTLOAIFSSQAFM-YFKPBYRVSA-N 185.676 1.200 70 30 ADIC CC(=O)CCCCS(=O)(=O)Cl 950757513 MUJVBLKOOVZRLG-UHFFFAOYSA-N 198.671 1.314 70 30 ADIC O=C1CC([B-](F)(F)F)C1 307619070 VZKLTIZEJDFJHP-UHFFFAOYSA-N 136.889 1.567 70 30 ADIC C=CB(F)F 195753591 ASPQFSKZWSAQBU-UHFFFAOYSA-N 75.854 1.139 70 30 ADIC [C-]#[N+]c1cncc([B-](F)(F)F)c1 238711311 QQEUTKNRKMTFMU-UHFFFAOYSA-N 170.910 1.687 70 30 ADIC Cc1occc1S(=O)(=O)Cl 104539579 VGDFSVKPEQKKJG-UHFFFAOYSA-N 180.612 1.516 70 30 ADIC O=S(=O)(Cl)CCOC1CCC1 112389724 ARXAEANPASFWNY-UHFFFAOYSA-N 198.671 1.124 70 30 ADIC O=S(=O)(Cl)C1(C(F)F)CC1 688860291 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