smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](C)CCCCCOS(=O)(=O)O 217489733 GAKXDBIEPWUONH-VIFPVBQESA-N 224.322 2.412 70 1 BEIF C=C(OC)c1cccc(C(=O)SC)n1 217740244 GRYLUTOFSWQYKN-UHFFFAOYSA-N 209.270 2.202 70 1 BEIF C[SiH](C)CC#Cc1ccc(C=O)cc1 957938807 OYVZHVZMENQEJH-UHFFFAOYSA-N 202.329 2.337 70 1 BEIF N#Cc1cccc(/C=C/C=C/S(=O)(=O)F)c1 1857556611 RMASJIKYKXINBL-BQJQTIKASA-N 237.255 2.384 70 1 BEIF CC(=O)c1ccc(/C=C/S(=O)(=O)F)cc1 1857619261 ZEYRCCGAMUZXPZ-VOTSOKGWSA-N 228.244 2.159 70 1 BEIF O[C@H](c1ccccc1)[C@@H]1CCC(=P)O1 2356328428 VAPAWPKJKKBSEJ-GXSJLCMTSA-N 208.197 2.172 70 1 BEIF CC(=O)c1ccccc1/C=C/S(=O)(=O)F 1857603160 FQNMDVLVADWIMM-VOTSOKGWSA-N 228.244 2.159 70 1 BEIF C[C@H]1NB(c2ccccc2)O[C@H]1c1ccccc1 195264198 HHJCYJBOQILYAU-IUODEOHRSA-N 237.111 2.131 70 1 BEIF C[C@H]1NB(c2ccccc2)O[C@@H]1c1ccccc1 195083915 HHJCYJBOQILYAU-DOMZBBRYSA-N 237.111 2.131 70 1 BEIF O=S(=O)(F)/C=C/c1cccc(F)c1 1857535161 CKYCXLDBRBIQIN-SNAWJCMRSA-N 204.197 2.096 70 1 BEIF O[C@@H](c1ccccc1)[C@@H]1CCC(=P)O1 2356328431 VAPAWPKJKKBSEJ-ONGXEEELSA-N 208.197 2.172 70 1 BEIF O[C@H](c1ccccc1)[C@H]1CCC(=P)O1 2356328430 VAPAWPKJKKBSEJ-MWLCHTKSSA-N 208.197 2.172 70 1 BEIF OB(CCc1ccccc1)c1ccccc1 170110496 KUYIPDRVEGIASJ-UHFFFAOYSA-N 210.085 2.120 70 1 BEIF O[C@@H](c1ccccc1)[C@H]1CCC(=P)O1 2356328429 VAPAWPKJKKBSEJ-KOLCDFICSA-N 208.197 2.172 70 1 BEIF O=S(=O)(F)/C=C/c1ccc(F)cc1F 1857609619 XCGPAVIWERHSMG-ONEGZZNKSA-N 222.187 2.235 70 1 BEIF O=S(=O)(F)CCCCCc1ccc(O)cc1 95574626 VCCAJGFVUCFGSD-UHFFFAOYSA-N 246.303 2.404 70 1 BEIF C[C@@H]1NB(c2ccccc2)O[C@H]1c1ccccc1 195264185 HHJCYJBOQILYAU-SWLSCSKDSA-N 237.111 2.131 70 1 BEIF OB1OCc2ccc(Sc3ccccc3)cc21 170140402 ZMFMGJUEAIXARG-UHFFFAOYSA-N 242.108 2.056 70 1 BEIF C[C@@H]1NB(c2ccccc2)O[C@@H]1c1ccccc1 195264174 HHJCYJBOQILYAU-WFASDCNBSA-N 237.111 2.131 70 1 BEIF Cc1cc2c(C)c(O)c(C)c(O)c2c(=O)o1 218016611 IRNPPCKCDANNED-UHFFFAOYSA-N 220.224 2.129 70 1 BEIF O=S(=O)(F)CCCCc1ccccc1 95578643 WRECQDZLBBCTPP-UHFFFAOYSA-N 216.277 2.309 70 1 BEIF CC(=O)c1cccc(/C=C/S(=O)(=O)F)c1 1857571391 NCCQSHLBNCXUOX-AATRIKPKSA-N 228.244 2.159 70 1 BEIF