smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1COCCN1S(=O)(=O)F 1776011188 JOTOHKNTGLKUNU-YFKPBYRVSA-N 183.204 -0.079 70 40 ABIB CC(C)NC(=O)CC(=N)N 217739018 OOWKNIOCGJEOHE-UHFFFAOYSA-N 143.190 -0.163 70 40 ABIB Cn1c(=O)oc2c(O)nncc21 217722012 VGLDKVQGKTZGAU-UHFFFAOYSA-N 167.124 -0.373 70 40 ABIB CC1(O)CN(S(=O)(=O)F)C1 1776011207 NDGBGNVJJQFQFE-UHFFFAOYSA-N 169.177 -0.733 70 40 ABIB Cc1cc(=O)[nH]c(=O)n1CCN(C)C 218294114 RWYAFUWBOBFSDA-UHFFFAOYSA-N 197.238 -0.593 70 40 ABIB C[C@@]12CCCN1CCNC2=O 217948457 OGVXKWGEFRNFLD-QMMMGPOBSA-N 154.213 -0.029 70 40 ABIB COC1CN(S(=O)(=O)Cl)C1 238852857 HKVVYJYTPLONNK-UHFFFAOYSA-N 185.632 -0.199 70 40 ABIB in-vitro COCCNC(=O)CC(=N)N 217740192 FELROSZNBGNMSA-UHFFFAOYSA-N 159.189 -0.925 70 40 ABIB CCCNC(=O)CC(=N)N 217738903 VQTJBHDIQWAJEV-UHFFFAOYSA-N 143.190 -0.161 70 40 ABIB Cn1nnnc1C(=O)NC(C)(C)C 218734042 KQLQMBMFOSZZRW-UHFFFAOYSA-N 183.215 -0.262 70 40 ABIB C[C@]1(O)CCN(S(=O)(=O)F)C1 1776011171 FRUSVQMXNIKOBT-YFKPBYRVSA-N 183.204 -0.343 70 40 ABIB CCO[SiH2]CN(C)C 201183653 WSOBJOKPIUCQHQ-UHFFFAOYSA-N 133.267 -0.374 70 40 ABIB O=S(=O)(F)C1COC1 238854074 MPJZKFREQLREHJ-UHFFFAOYSA-N 140.135 -0.316 70 40 ABIB ONCc1ccnnc1 217568763 FHLSGNKSDSXFDW-UHFFFAOYSA-N 125.131 -0.045 70 40 ABIB CN1CCN(C(=O)CC(=N)N)CC1 217749909 WJYNNZJVOKYANR-UHFFFAOYSA-N 184.243 -0.914 70 40 ABIB N#CC1CN(S(=O)(=O)F)C1 1776011204 MONWANZOKGGDNZ-UHFFFAOYSA-N 164.161 -0.344 70 40 ABIB CO[C@H]1CCN(S(=O)(=O)F)C1 1776011137 AEOILADIFWOTDU-YFKPBYRVSA-N 183.204 -0.079 70 40 ABIB CN(C)S(=O)(=O)F 95876143 NNOYMOQFZUUTHQ-UHFFFAOYSA-N 127.140 -0.238 70 40 ABIB COC[C@@H](C)NC(=O)CC(=N)N 217753513 UGKXLHOYWVVXIY-RXMQYKEDSA-N 173.216 -0.536 70 40 ABIB Cc1n[nH]c(N)c1CC(=O)N(C)C 217814348 GXPYRWWHJLLVFN-UHFFFAOYSA-N 182.227 -0.069 70 40 ABIB O=S(=O)(F)NC1CCNCC1 1776011167 FJSUNQZOIQFIKY-UHFFFAOYSA-N 182.220 -0.458 70 40 ABIB O=S(=O)(Cl)CCO 85848872 LRMHQHUZLWXMEQ-UHFFFAOYSA-N 144.579 -0.453 70 40 ABIB in-vitro [SiH2]c1ccccc1 195757054 JAZKZOWBOMBYIX-UHFFFAOYSA-N 107.208 -0.055 70 40 ABIB COC(=O)CC[SiH2]C(OC)OC 201239953 XZVHZMFBMZYMTK-UHFFFAOYSA-N 192.287 -0.287 70 40 ABIB O=S(=O)(F)N1CC2(COC2)C1 1776011271 ZOHOIEBVKWKXCE-UHFFFAOYSA-N 181.188 -0.467 70 40 ABIB O=S(=O)(F)N1CC[C@H](O)C1 1776011275 ZVNFFXDFDRIAOV-BYPYZUCNSA-N 169.177 -0.733 70 40 ABIB CN(C)C(C[SiH3])(N(C)C)N(C)C 200070320 WDJBOLMIRPMHEV-UHFFFAOYSA-N 189.379 -0.891 70 40 ABIB O=S(=O)(F)NC1CCOCC1 1776011138 AFBHKTAJGKJHNO-UHFFFAOYSA-N 183.204 -0.031 70 40 ABIB CO[C@H]1CC[C@](OC)(C(N)=O)O1 217701587 CJWICPXLKWQESW-IYSWYEEDSA-N 175.184 -0.403 70 40 ABIB COC(=O)NS(=O)(=O)Cl 100468860 DCGAEWHBJDXIAZ-UHFFFAOYSA-N 173.577 -0.174 70 40 ABIB in-vitro CN(C)C(=O)CS(=O)(=O)Cl 144863773 QCOLUTLBSUAPTR-UHFFFAOYSA-N 185.632 -0.357 70 40 ABIB C[C@@H]1CN(S(=O)(=O)F)CCO1 1776011208 NJRLJIIKTDFHSG-RXMQYKEDSA-N 183.204 -0.079 70 40 ABIB C[C@H]1CN(S(=O)(=O)F)CCO1 1776011209 NJRLJIIKTDFHSG-YFKPBYRVSA-N 183.204 -0.079 70 40 ABIB CB1NCCO1 197125914 CAQDJVLSYAXSSD-UHFFFAOYSA-N 84.915 -0.276 70 40 ABIB CO[C@H]1CC[C@@](OC)(C(N)=O)O1 217701758 CJWICPXLKWQESW-VDTYLAMSSA-N 175.184 -0.403 70 40 ABIB O=C(O)C1CN(S(=O)(=O)F)C1 1772800623 GWFTZGBECWDCEP-UHFFFAOYSA-N 183.160 -0.783 70 40 ABIB C[C@@]1(O)CCN(S(=O)(=O)F)C1 1776011169 FRUSVQMXNIKOBT-RXMQYKEDSA-N 183.204 -0.343 70 40 ABIB CC1=NNB(O)c2sccc21 195782607 FWNVLTMEXBJHNS-UHFFFAOYSA-N 166.014 -0.237 70 40 ABIB CC(=O)O[SiH](C)OC(C)=O 195764369 MILQVRCPFSAFFX-UHFFFAOYSA-N 162.217 -0.037 70 40 ABIB Cn1ncc2c(oc(=O)n2C)c1=O 217722125 JYZVIRGAJDWCSH-UHFFFAOYSA-N 181.151 -0.775 70 40 ABIB Bc1cnc2[nH]ccc2c1 226522136 KQIZQGMVQMQLLN-UHFFFAOYSA-N 129.959 -0.179 70 40 ABIB C[C@@H]1COCCN1S(=O)(=O)F 1776011187 JOTOHKNTGLKUNU-RXMQYKEDSA-N 183.204 -0.079 70 40 ABIB O=S(=O)(Cl)C1COC1 100631249 QCQMLRRDOKKVFL-UHFFFAOYSA-N 156.590 -0.046 70 40 ABIB in-vitro CO[C@@H]1CC[C@@](OC)(C(N)=O)O1 217701672 CJWICPXLKWQESW-FSPLSTOPSA-N 175.184 -0.403 70 40 ABIB Nc1ncc(S(=O)(=O)Cl)cn1 100057810 DMGWBLDZXCMCJN-UHFFFAOYSA-N 193.615 -0.014 70 40 ABIB in-vitro O=C1CCCN(S(=O)(=O)F)C1 1776011263 YGLUHOLRDMWTSI-UHFFFAOYSA-N 181.188 -0.134 70 40 ABIB CN(C)C(/C=C\[SiH3])N(C)C 204928541 BXCKRTFSZSXWRM-WAYWQWQTSA-N 158.321 -0.685 70 40 ABIB CO[C@@H]1CC[C@](OC)(C(N)=O)O1 217701496 CJWICPXLKWQESW-CAHLUQPWSA-N 175.184 -0.403 70 40 ABIB CC(C)NC(=O)c1nnnn1C 218733966 SWBCXKPUYBEHSA-UHFFFAOYSA-N 169.188 -0.652 70 40 ABIB CN(C)C(/C=C/[SiH3])N(C)C 204928559 BXCKRTFSZSXWRM-AATRIKPKSA-N 158.321 -0.685 70 40 ABIB COCCCNC(=O)CC(=N)N 217740323 GMTHCVLZEXFRAI-UHFFFAOYSA-N 173.216 -0.535 70 40 ABIB COC1CN(S(=O)(=O)F)C1 1776011179 GWKLTLUCADUUHM-UHFFFAOYSA-N 169.177 -0.469 70 40 ABIB O=S(=O)(F)N1CC(F)C1 1776011142 AGFQXLXIVGUETE-UHFFFAOYSA-N 157.141 -0.146 70 40 ABIB O=S(=O)(F)N1CCC1 1776011193 KGAAASKQMYYULZ-UHFFFAOYSA-N 139.151 -0.094 70 40 ABIB C[C@]12CCCN1CCNC2=O 217948528 OGVXKWGEFRNFLD-MRVPVSSYSA-N 154.213 -0.029 70 40 ABIB CC(C)(O)C(C)(C)OB(O)CN 217665878 RTDGNHWCYGXAGB-UHFFFAOYSA-N 175.037 -0.469 70 40 ABIB COC(=O)C1CN(S(=O)(=O)F)C1 1953760556 FIWBGBCYONPYQJ-UHFFFAOYSA-N 197.187 -0.695 70 40 ABIB OB1OCc2ccncc21 238659907 VDCMZLLEHWRBGY-UHFFFAOYSA-N 134.931 -0.701 70 40 ABIB N=C(N)CC(=O)NC[C@@H]1CCCO1 217741666 FUEZFXKAXGWEFS-LURJTMIESA-N 185.227 -0.392 70 40 ABIB COS(=O)(=O)F 95682043 MBXNQZHITVCSLJ-UHFFFAOYSA-N 114.097 -0.153 70 40 ABIB in-vitro Cn1cc(S(=O)(=O)Cl)nn1 100504381 HGSOQZHRNVVEDM-UHFFFAOYSA-N 181.604 -0.257 70 40 ABIB in-vitro ONCc1ncccn1 217568879 WDULYQVJFIBRDP-UHFFFAOYSA-N 125.131 -0.045 70 40 ABIB NC[C@@H]1CCCN(S(=O)(=O)F)C1 1776011172 GBCRTQGIZACYQP-LURJTMIESA-N 196.247 -0.129 70 40 ABIB COCCS(=O)(=O)F 82089877 HGUWYEMJEIBZLA-UHFFFAOYSA-N 142.151 -0.068 70 40 ABIB in-vitro CNC(=O)Cc1c(C)n[nH]c1N 217814546 MFPRTXVDNWSKQZ-UHFFFAOYSA-N 168.200 -0.411 70 40 ABIB CC(C)C(=O)O[SiH3] 199868352 YOQUCILXQDXKQE-UHFFFAOYSA-N 118.208 -0.534 70 40 ABIB O=S(=O)(F)c1cn[nH]n1 78365030 XWBNUYCGGQURAZ-UHFFFAOYSA-N 151.122 -0.537 70 40 ABIB CO[C@@H]1CCN(S(=O)(=O)F)C1 1776011135 AEOILADIFWOTDU-RXMQYKEDSA-N 183.204 -0.079 70 40 ABIB CC(=O)OC[SiH2]OC(=O)C(C)C 201181629 BLJAWJBPKQXHNK-UHFFFAOYSA-N 190.271 -0.210 70 40 ABIB CC1(N)CN(S(=O)(=O)F)C1 1776011272 ZTDWFPVRAOLDSQ-UHFFFAOYSA-N 168.193 -0.766 70 40 ABIB CCOCCCNC(=O)CC(=N)N 217750878 LJIUIIALQCIVQR-UHFFFAOYSA-N 187.243 -0.145 70 40 ABIB N=C(N)CC(=O)NC[C@H]1CCCO1 217741736 FUEZFXKAXGWEFS-ZCFIWIBFSA-N 185.227 -0.392 70 40 ABIB BC(=O)NCC 169795088 NFFBPSJIRZNJMD-UHFFFAOYSA-N 84.915 -0.651 70 40 ABIB [N-]=[N+]=NC(=O)c1cc(=O)[nH]c(O)n1 17300590 FZYSZSBOJYUWSQ-UHFFFAOYSA-N 181.111 -0.074 70 40 ABIB COC(=O)CS(=O)(=O)F 100596586 FZXBSVQEXGORTN-UHFFFAOYSA-N 156.134 -0.541 70 40 ABIB O=S(=O)(F)N1CC[C@@H](O)C1 1776011276 ZVNFFXDFDRIAOV-SCSAIBSYSA-N 169.177 -0.733 70 40 ABIB COC[C@H](C)NC(=O)CC(=N)N 217753602 UGKXLHOYWVVXIY-YFKPBYRVSA-N 173.216 -0.536 70 40 ABIB C=Cn1nnnc1CN(C)C 217744117 WXHJQPUSSSMLBH-UHFFFAOYSA-N 153.189 -0.165 70 40 ABIB CCN1CCN(C(=O)CC(=N)N)CC1 217751631 SLLRSVLLYWWLNM-UHFFFAOYSA-N 198.270 -0.523 70 40 ABIB NC[C@H]1CCCN(S(=O)(=O)F)C1 1776011174 GBCRTQGIZACYQP-ZCFIWIBFSA-N 196.247 -0.129 70 40 ABIB