smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 21991254 CNDXUZFEBZCFRS-UHFFFAOYSA-N 277.327 4.066 10 30 CICC CC(=O)OCc1ccccc1/N=N/c1ccc(N(C)C)cc1 5138053 WYRBCAKPJHDISG-VHEBQXMUSA-N 297.358 4.231 10 30 CICC CCC1(CC)C(=O)c2cc3ccccc3cc2C1=O 174166 NKXZSZHLPXBEOQ-UHFFFAOYSA-N 252.313 4.025 10 30 CICC CN(C)c1ccc(N=Nc2cccc3nccnc23)cc1 255964131 BDVVEXOYWDAFNK-UHFFFAOYSA-N 277.331 4.111 10 30 CICC CC1(C)CCC[C@]2(C)c3ccc(O)c(O)c3CC[C@@H]12 5963605 UCOVNMMLWVAZJH-WMLDXEAASA-N 260.377 4.128 10 30 CICC Nc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1 5422301 QDPSGELUBXFKSB-FMQUCBEESA-N 262.316 4.420 10 30 CICC [N-]=[N+]=NCc1ccc(OC(F)(F)C(F)(F)F)cc1 2265384728 QCYGUUCPHXTHFI-UHFFFAOYSA-N 267.157 4.031 10 30 CICC Cc1nn(C)c(O)c1/N=N/c1cccc2ccccc12 4389865 XGXUJKPOYQABRY-WUKNDPDISA-N 266.304 4.003 10 30 CICC CN(C)c1ccc(/N=N/c2ccccc2)cc1[N+](=O)[O-] 39431986 LZTOSIFHLYKLIZ-FOCLMDBBSA-N 270.292 4.076 10 30 CICC CC(C)(/N=N/c1ccccc1)NC(=S)Nc1ccccc1 4306736 NFDZMHGFGGXQPH-FMQUCBEESA-N 298.415 4.493 10 30 CICC c1ccc(-c2[nH]c3ccccc3c2N=Nc2ncn[nH]2)cc1 257354432 XSGLLCJEBDKHPO-UHFFFAOYSA-N 288.314 4.368 10 30 CICC CCc1ccc(/[N+]([O-])=N\c2ccc(OC)cc2)cc1 100160614 MCKGGSQKOSKNHA-WUKNDPDISA-N 256.305 4.183 10 30 CICC CN(C)c1ccc(C=Cc2nc3ccccc3o2)cc1 2265239498 DQOPDYYQICTYEY-UHFFFAOYSA-N 264.328 4.064 10 30 CICC S=C1NC(c2ccccc2)=C[C@@H](c2ccsc2)S1 74469 PWIKMNFYSZMLGC-ZDUSSCGKSA-N 289.450 4.452 10 30 CICC CCN(CCO)c1ccc(/N=N/c2ccccc2)c(C)c1 100369951 WWWQBYPZQKGTLA-VHEBQXMUSA-N 283.375 4.229 10 30 CICC O=C1c2ccccc2C(=O)c2c(Nc3ccccc3)cccc21 4718449 XRIGHGYEGNDPEU-UHFFFAOYSA-N 299.329 4.206 10 30 CICC CN(C)c1ccc(N=Nc2ccc3[nH]ncc3c2)cc1 256005069 URZDYTSUBPMDNZ-UHFFFAOYSA-N 265.320 4.044 10 30 CICC O=C1c2cc3ccccc3cc2C(=O)C1c1ccccc1 100221136 JRTRJJIBJKXPSD-UHFFFAOYSA-N 272.303 4.003 10 30 CICC CN(C)/C=C(\C(=S)c1ccccc1)c1ccccc1 100210617 WVIDMSDICLYHMK-SSZFMOIBSA-N 267.397 4.007 10 30 CICC Cc1nn(C)c(O)c1/N=N/c1ccc(Cl)c(Cl)c1 4389847 VIBMGQRHINQJFU-CCEZHUSRSA-N 285.134 4.156 10 30 CICC CCCCCc1cccc2c1C(=O)c1ccccc1C2=O 34263520 INPHIYULSHLAHR-UHFFFAOYSA-N 278.351 4.195 10 30 CICC Cc1cc(Cc2ccc(N(C)C)c(C)c2)ccc1N(C)C 143388837 OPQVTOWQUHJRTM-UHFFFAOYSA-N 282.431 4.026 10 30 CICC COc1cc(/N=N/c2ccccc2OC)c(C)cc1N 111888270 XUWZYYOJNWCEFC-ISLYRVAYSA-N 271.320 4.010 10 30 CICC CCC[C@@H](C)c1ccc2c(c1)C(=O)c1ccccc1C2=O 59970497 IFHQWLHVCATXGU-GFCCVEGCSA-N 278.351 4.366 10 30 CICC CN(C)c1ccc(/N=N/c2sc3ccccc3[n+]2C)cc1 27586896 IXDNMOPXWORAQV-UHFFFAOYSA-N 297.407 4.207 10 30 CICC CC1=NCCC1=C1c2ccccc2CCc2ccccc21 22005855 RSIJNKLOYVNFAS-UHFFFAOYSA-N 273.379 4.452 10 30 CICC CC(C)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O 5759213 CQYMOXYSVSNADQ-UHFFFAOYSA-N 278.351 4.051 10 30 CICC Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(C)cc1N 100249569 JKPNCURSUJVONG-WUKNDPDISA-N 270.292 4.209 10 30 CICC COc1ccc(N/C=C\C(=S)c2ccc(OC)cc2)cc1 100210613 GOYDPJHJXPXFPN-QXMHVHEDSA-N 299.395 4.048 10 30 CICC COc1cccc(C(=O)/N=N/c2ccc(C)cc2C)c1 504815785 PMPJECIAJJWSFQ-ISLYRVAYSA-N 268.316 4.236 10 30 CICC CCOC(=O)c1ccccc1/N=N/c1ccccc1 5650700 CBBHXOBVIVVYGT-WUKNDPDISA-N 254.289 4.279 10 30 CICC CSC1=NC(=O)C(=Cc2cccc3ccccc23)S1 2265279116 FAJYWVDEEQKXAU-UHFFFAOYSA-N 285.393 4.173 10 30 CICC N[C@H](c1ccc(Cl)cc1)c1ccc2ccccc2c1O 32098987 DPPFHFIUULAEQC-MRXNPFEDSA-N 283.758 4.247 10 30 CICC N[C@@H](c1ccc(Cl)cc1)c1ccc2ccccc2c1O 32098986 DPPFHFIUULAEQC-INIZCTEOSA-N 283.758 4.247 10 30 CICC COc1ccc(/N=N/c2ccc3c(c2)CCCN3C)cc1 4344380 RUGMIEGGAKRGBW-VHEBQXMUSA-N 281.359 4.493 10 30 CICC Cc1ccc(/N=N/c2c(C)nn(C(C)(C)C)c2O)cc1 4323475 LWITUPMFGMDOOX-WUKNDPDISA-N 272.352 4.376 10 30 CICC COC(=O)Nc1ccc(/N=N/c2ccc(N)cc2C)cc1 5160045 QMMLWXUTSYZDSL-VHEBQXMUSA-N 284.319 4.171 10 30 CICC COc1ccc2c(Oc3ccc(N)cc3)csc2c1 1774020996 UIAIMPYLYVCCIK-UHFFFAOYSA-N 271.341 4.284 10 30 CICC OCCSCc1ccc(/N=N/c2ccccc2)cc1 111896366 AZPMLJUDKMGFPX-WUKNDPDISA-N 272.373 4.328 10 30 CICC S=C1NC(c2ccccc2)=C[C@H](c2ccsc2)S1 3149289 PWIKMNFYSZMLGC-CYBMUJFWSA-N 289.450 4.452 10 30 CICC CCC[C@H](C)c1ccc2c(c1)C(=O)c1ccccc1C2=O 59970498 IFHQWLHVCATXGU-LBPRGKRZSA-N 278.351 4.366 10 30 CICC