smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2nc(Cl)c[nH]c-2n1 586925762 VRBOAZSBBGGKRV-UHFFFAOYSA-N 393.639 3.214 70 1 GGIF COc1cc(Cc2nc3ccc(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925071 LHOLNWNSZBWZST-UHFFFAOYSA-N 384.816 3.238 70 1 GGIF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O 587451808 ZVZZDBNIQHVFKU-HNAYVOBHSA-N 390.844 3.212 70 1 GGIF COc1cc(Cc2nc3c(C)nc(C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925549 SSYVHPUDFBKQSD-UHFFFAOYSA-N 395.868 3.110 70 1 GGIF O=C1CN(Cc2ccccc2)/C(=N\c2ccc(S(=O)(=O)Cl)cc2)S1 103152854 ZVASZWRMMCSUAP-FBMGVBCBSA-N 380.878 3.377 70 1 GGIF O=S(=O)(Cl)c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Cl 586925984 COPLIHLKEHTWFH-UHFFFAOYSA-N 383.216 3.393 70 1 GGIF COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(S(=O)(=O)Cl)c1 587918622 ZXHSOKCRMQYJHV-UHFFFAOYSA-N 399.251 3.463 70 1 GGIF CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)NCCc2c1c(C(C)C)nn2C 962917516 FHUNLRXEVKNHDN-SFHVURJKSA-N 381.929 3.270 70 1 GGIF O=S(=O)(Cl)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1Cl 586926906 HAJMXAYIXUBLJJ-UHFFFAOYSA-N 393.302 3.178 70 1 GGIF COC(=O)c1cc(S(=O)(=O)Cl)c(C#Cc2cc(Cl)ccc2OC)o1 587918245 IKWIFILRDUOYOW-UHFFFAOYSA-N 389.212 3.056 70 1 GGIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(CO)cc2[nH]1 586925941 ZIBJXDOFWHWNHL-UHFFFAOYSA-N 387.244 3.312 70 1 GGIF Cc1csc(NC(=O)[C@H](C)c2ccc(OS(=O)(=O)C(F)(F)F)cc2)n1 84634653 YNTBFBCIHUUEFL-SECBINFHSA-N 394.396 3.422 70 1 GGIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1Cl 586928767 IMYHLWOSTSRZEF-UHFFFAOYSA-N 387.204 3.422 70 1 GGIF CN(C)C(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587177905 FWZUNXXNLSWWHA-UHFFFAOYSA-N 381.816 3.243 70 1 GGIF O=C(Nc1ccc2c(c1)B(O)OC2)c1cc(C(F)(F)F)ccc1C(F)(F)F 209127592 QWXNIYFEZKTXMX-UHFFFAOYSA-N 389.060 3.194 70 1 GGIF N=c1[nH]ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586925825 KHKHOJIEKJSIRU-UHFFFAOYSA-N 377.640 3.272 70 1 GGIF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1 586928228 RRACHGFNUDXXBG-UHFFFAOYSA-N 398.893 3.259 70 1 GGIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)NCCc2nc3ccccn3c21 962989446 QAXXEIYUZCEXNY-ZNZDAUKMSA-N 393.940 3.070 70 1 GGIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Cl)ncnc2[nH]1 586925585 SZRLULPSQSCJMS-UHFFFAOYSA-N 393.639 3.263 70 1 GGIF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)O)cc1S(=O)(=O)Cl 587918413 QNYXVIWONFCPEN-UHFFFAOYSA-N 385.224 3.374 70 1 GGIF Cc1ccc(S(=O)(=O)n2cc(/C=C/S(=O)(=O)F)c3ccccc32)cc1 1857551386 CZRDMSCIFSTMLJ-ZHACJKMWSA-N 379.434 3.457 70 1 GGIF COc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cn1 586925927 YZQBPGHSVKLVKT-UHFFFAOYSA-N 388.232 3.223 70 1 GGIF Nc1ccnc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc12 586926679 SNDSNRWOMQEBTB-UHFFFAOYSA-N 377.640 3.441 70 1 GGIF Cc1cc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)ccc1S(=O)(=O)Cl 586927944 MBVYMNRAVIZARR-UHFFFAOYSA-N 376.747 3.275 70 1 GGIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587177810 AOXGZGJKADFGHF-UHFFFAOYSA-N 380.710 3.302 70 1 GGIF O=C1COc2cc3[nH]c(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)nc3cc2N1 586926686 OBJFUETYUTYXLU-UHFFFAOYSA-N 398.227 3.142 70 1 GGIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1C(=O)O 587918481 UAQRFGNSGLRXBJ-UHFFFAOYSA-N 385.224 3.374 70 1 GGIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(=N)N)cc2[nH]1 586925866 XTLBVJBZWNYSSD-UHFFFAOYSA-N 399.259 3.103 70 1 GGIF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(S(=O)(=O)Cl)cc31)O2 587410677 VYTUGSUKEDKWSO-SFHVURJKSA-N 377.849 3.312 70 1 GGIF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@@H](O)C3)cc2F)cn1 217833778 HWAIHLSAZVANES-MRXNPFEDSA-N 392.434 3.129 70 1 GGIF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)F)C3(C)C)O2 587387416 REOGUDUAXMTKSL-QQGDVQBRSA-N 381.469 3.407 70 1 GGIF CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)NCCc2c1c(C(C)C)nn2C 962917512 FHUNLRXEVKNHDN-GOSISDBHSA-N 381.929 3.270 70 1 GGIF O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(C(F)(F)F)cc1C(F)(F)F 198037370 KXLQUYFXBGNZSK-UHFFFAOYSA-N 389.060 3.194 70 1 GGIF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@H](O)C3)cc2F)cn1 217833732 HWAIHLSAZVANES-INIZCTEOSA-N 392.434 3.129 70 1 GGIF CCc1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1S(=O)(=O)Cl 586926747 DUZAYCSAYYQTKL-UHFFFAOYSA-N 398.893 3.123 70 1 GGIF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(S(=O)(=O)Cl)cc31)O2 587410676 VYTUGSUKEDKWSO-GOSISDBHSA-N 377.849 3.312 70 1 GGIF O=[N+]([O-])c1cccc(-c2nc(OS(=O)(=O)C(F)(F)F)cc3cccnc23)c1 36268763 ZHSRABCDAAITJX-UHFFFAOYSA-N 399.306 3.433 70 1 GGIF Cc1cc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928015 NVKBAPNZJAPZTG-UHFFFAOYSA-N 377.853 3.168 70 1 GGIF CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1S(=O)(=O)Cl 586928075 XZMZODHHLJNFEK-UHFFFAOYSA-N 378.837 3.491 70 1 GGIF Cc1ccc(S(=O)(=O)n2ccc3cc(/C=C/S(=O)(=O)F)ccc32)cc1 1857610368 VYTIPMXNZUNYGQ-PKNBQFBNSA-N 379.434 3.457 70 1 GGIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(C(N)=O)c3[nH]2)c1Cl 586928473 AMPVBQINPVSHMT-UHFFFAOYSA-N 384.244 3.218 70 1 GGIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(F)cnc2[nH]1 586925968 ZSBDDKBKPOLUFJ-UHFFFAOYSA-N 376.196 3.354 70 1 GGIF COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(=O)(=O)Cl)OCCO2 587918320 MQZLDUAJZXZXDX-UHFFFAOYSA-N 399.251 3.447 70 1 GGIF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O 587448973 NYONVASQGWYESO-KBXCAEBGSA-N 378.833 3.286 70 1 GGIF O=C(COc1ccc(Br)cc1)NCC(=O)Nc1cccc(Cl)c1 217493506 FTSWKUBFMQPZBC-UHFFFAOYSA-N 397.656 3.236 70 1 GGIF CCc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1S(=O)(=O)Cl 586927406 MMEAGFJBXKHNFB-UHFFFAOYSA-N 376.825 3.302 70 1 GGIF Cc1nsc(-c2ccc(N3CCC(N4CCc5ccccc54)CC3)nn2)n1 218764857 ZIZNVIXVYYAVOC-UHFFFAOYSA-N 378.505 3.335 70 1 GGIF CCc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1S(=O)(=O)Cl 586927061 IJONWRJZJFIWEN-OAHLLOKOSA-N 378.841 3.444 70 1 GGIF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)ccc1S(=O)(=O)Cl 587918177 FLWWHMOPUNBRDP-UHFFFAOYSA-N 385.224 3.374 70 1 GGIF COc1cc2c3c(c1)O[C@]1(CCc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O 587451812 ZVZZDBNIQHVFKU-KXBFYZLASA-N 390.844 3.212 70 1 GGIF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)ccc1S(=O)(=O)Cl 587918136 CBGBORRRMLIYLR-UHFFFAOYSA-N 399.251 3.463 70 1 GGIF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)F)C3(C)C)O2 587387408 REOGUDUAXMTKSL-DPMMWBKBSA-N 381.469 3.407 70 1 GGIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3c(c2)OCCO3)n1 218480623 JBDRREUKUCSNKV-DZGCQCFKSA-N 384.436 3.402 70 1 GGIF C[C@@H](C(=O)Nc1nccs1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 43587476 OTYZDMVITYZANU-MRVPVSSYSA-N 380.369 3.114 70 1 GGIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnc(Cl)[nH]c-2n1 586924722 HPUQVAFEFIHVNJ-UHFFFAOYSA-N 393.639 3.214 70 1 GGIF COc1cc(Cc2nc3cccc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925106 LTGGHMAQZRVHFL-UHFFFAOYSA-N 384.816 3.238 70 1 GGIF COc1cc2c3c(c1)O[C@](C)(c1cccc(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587447900 GEMGLGGRJXJXBO-KBXCAEBGSA-N 378.833 3.286 70 1 GGIF CN(C)CCOc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587177901 FROVSPLKCQONIM-UHFFFAOYSA-N 397.859 3.482 70 1 GGIF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CN)c4ccccc4)ncc23)ccn1 218239042 XNLZRLFOJHEWFI-SFHVURJKSA-N 387.447 3.150 70 1 GGIF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)F)C4(C)C)[C@@H](C2)C3=O 587427975 MLJOPGCITBMOFE-GREUMRBKSA-N 394.464 3.307 70 1 GGIF Cc1cc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)ccc1S(=O)(=O)Cl 586928335 XHDCSIOHQNRUKL-UHFFFAOYSA-N 375.837 3.351 70 1 GGIF Cn1cc(-c2ccc(N3CCC(n4ncc5c(F)cccc54)CC3)nn2)cn1 218764467 RKZYYYGQGKDPRC-UHFFFAOYSA-N 377.427 3.207 70 1 GGIF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O 587448976 NYONVASQGWYESO-KSSFIOAISA-N 378.833 3.286 70 1 GGIF C[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1 218453170 MJGKUUKCLJOFTN-WMLDXEAASA-N 396.882 3.421 70 1 GGIF COC(=O)c1cc(S(=O)(=O)Cl)ccc1C#Cc1cc(Cl)ccc1OC 587918113 AYOCUAKOAHGOTE-UHFFFAOYSA-N 399.251 3.463 70 1 GGIF O=C1COc2cc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)nc3cc2N1 586927629 PKMMCJCBHURSAH-UHFFFAOYSA-N 398.227 3.142 70 1 GGIF Cc1ccccc1CN1CC2=C(CCN(Cc3ccccc3)C2=O)N2CCN=C12 217073008 DJNVPMWOJIZWOG-UHFFFAOYSA-N 386.499 3.169 70 3 GGIF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)F)C4(C)C)[C@@H](C2)C3=O 587427996 MLJOPGCITBMOFE-MLGOKKRCSA-N 394.464 3.307 70 1 GGIF COc1cc(Cc2nc3ccc(C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924650 GSNLGKHZGQCVSY-UHFFFAOYSA-N 380.853 3.407 70 1 GGIF COC(=O)c1ccc(S(=O)(=O)Cl)c(C#Cc2cc(Cl)ccc2OC)c1 587918604 ZADXHGCUODYZSM-UHFFFAOYSA-N 399.251 3.463 70 1 GGIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1Cl 586929256 RYVJTHLUNYXLJY-UHFFFAOYSA-N 387.204 3.422 70 1 GGIF COc1cc(Cc2nc3cccc(OC)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924595 GHPZTOWETWJWPG-UHFFFAOYSA-N 396.852 3.107 70 1 GGIF Cc1cnc(F)c(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 218633503 RUUFULDNAISCMR-QFIPXVFZSA-N 395.434 3.068 70 1 GGIF COc1cc(OS(=O)(=O)C(F)(F)F)c2c(c1C(C)=O)OC(C)(C)C=C2 1857636967 VDEMYFZESGTBQM-UHFFFAOYSA-N 380.340 3.310 70 1 GGIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(N)=O)cc3[nH]2)c1Cl 586929198 RFXUHNBKUKYKNG-UHFFFAOYSA-N 384.244 3.218 70 1 GGIF COC(=O)c1cc2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2cc1OC 586928246 SCAIIIGWTCXRER-UHFFFAOYSA-N 394.836 3.261 70 1 GGIF Cc1cc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927801 KPLXUSOZKRJTLP-UHFFFAOYSA-N 393.896 3.406 70 1 GGIF COc1ccc(Cl)cc1C#Cc1cc2[nH]c(O)nc2cc1S(=O)(=O)Cl 587918394 PQJCTHIZKSDORI-UHFFFAOYSA-N 397.239 3.258 70 1 GGIF COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2cc1OC 587178284 ZAIOHZDXUFOTKL-UHFFFAOYSA-N 398.799 3.337 70 1 GGIF COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1OC 586928204 RGWVOHJJPNBCNU-UHFFFAOYSA-N 394.836 3.261 70 1 GGIF CCc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1S(=O)(=O)Cl 586926700 DCMNVYPRWWBZBD-UHFFFAOYSA-N 390.774 3.480 70 1 GGIF Cc1cnc(F)c(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 218633592 RUUFULDNAISCMR-JOCHJYFZSA-N 395.434 3.068 70 1 GGIF O=C1CCc2cc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3cc2N1 587180527 KDLDYATYSPRXLS-UHFFFAOYSA-N 379.800 3.426 70 1 GGIF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(S(=O)(=O)Cl)c1 587918144 COQTVQIKQPLKLS-UHFFFAOYSA-N 399.251 3.463 70 1 GGIF COc1ccc(Cl)cc1C#Cc1sc(C(=O)O)cc1S(=O)(=O)Cl 587918412 QNBIGDBHODUNEX-UHFFFAOYSA-N 391.253 3.436 70 1 GGIF Cc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1S(=O)(=O)Cl 586927566 HBVWHFLXVUCDEK-UHFFFAOYSA-N 396.768 3.282 70 1 GGIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(C)C)CC2)n1 218482851 ROQPUQDJIGAEKQ-DOTOQJQBSA-N 375.517 3.379 70 1 GGIF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@@]21C 217248444 SCCGQICCMKBLST-CEQIMMHESA-N 392.536 3.108 70 1 GGIF COc1cc(Cc2nc3cccc(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925977 ZUHRBSVCIJZQSH-UHFFFAOYSA-N 380.853 3.407 70 1 GGIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccnc(OC)c2[nH]1 586924487 FMPJQXHKGKGGFI-UHFFFAOYSA-N 388.232 3.223 70 1 GGIF COc1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1 586925426 PHBILYRPUFCGRK-UHFFFAOYSA-N 396.852 3.107 70 1 GGIF O=S(=O)(Cl)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1Cl 586927289 VZSTWZHSSPSVAA-UHFFFAOYSA-N 393.302 3.178 70 1 GGIF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1 587918261 JIFXVZWFKBAHMK-UHFFFAOYSA-N 385.224 3.374 70 1 GGIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc3c(c2)OCCO3)n1 218480564 JBDRREUKUCSNKV-UKRRQHHQSA-N 384.436 3.402 70 1 GGIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)NCCc2nc3ccccn3c21 962989445 QAXXEIYUZCEXNY-VMDGZTHMSA-N 393.940 3.070 70 1 GGIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)c1 587177906 GDWICGJMKYVRAA-UHFFFAOYSA-N 391.609 3.046 70 1 GGIF O=S(=O)(Cl)c1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1Cl 586927323 KZSZWKVEEHSZFN-UHFFFAOYSA-N 383.216 3.393 70 1 GGIF COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587447904 GEMGLGGRJXJXBO-KSSFIOAISA-N 378.833 3.286 70 1 GGIF N#Cc1cccc(-c2nc(OS(=O)(=O)C(F)(F)F)cc3cccnc23)c1 36268760 CWZPJPLVHJFENV-UHFFFAOYSA-N 379.319 3.397 70 1 GGIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1Cl 586929288 SHBUDOXMPZDYGJ-UHFFFAOYSA-N 383.260 3.403 70 1 GGIF CCc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1S(=O)(=O)Cl 586928030 WSQNKNWBVQLDSA-UHFFFAOYSA-N 386.911 3.087 70 1 GGIF CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1S(=O)(=O)Cl 586927271 JYGPEWPKRLIOOE-UHFFFAOYSA-N 391.836 3.051 70 1 GGIF CCc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1S(=O)(=O)Cl 586927051 IJONWRJZJFIWEN-HNNXBMFYSA-N 378.841 3.444 70 1 GGIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncc(OC)c2[nH]1 586925918 YSAQIWUFUANDBW-UHFFFAOYSA-N 388.232 3.223 70 1 GGIF N=c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c[nH]1 586925578 HBDSYZORFAITAN-UHFFFAOYSA-N 377.640 3.272 70 1 GGIF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1OC 587177828 BFDCQVHCTSTIJK-UHFFFAOYSA-N 398.799 3.337 70 1 GGIF COc1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2n1 586925169 MLHNACAGVMIYKI-UHFFFAOYSA-N 388.232 3.223 70 1 GGIF CCc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1S(=O)(=O)Cl 586926707 DJGHPYSWGNSYEW-UHFFFAOYSA-N 391.880 3.422 70 1 GGIF Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1 218465298 DVLDSSYGKZEDFU-FUHWJXTLSA-N 376.464 3.076 70 1 GGIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1C(=O)O 587918325 NBQUCEBEJMMSCS-UHFFFAOYSA-N 385.224 3.374 70 1 GGIF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)sc1S(=O)(=O)Cl 587918492 UITFBAJHJLDQBR-UHFFFAOYSA-N 391.253 3.436 70 1 GGIF