smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216853277 DPPBWLURJVUOQW-UHFFFAOYSA-N 311.407 0.291 70 40 DCIB C#CCOCCOCCOCCNC(=O)CBr 168215398 WAAFUTKEMRDMNZ-UHFFFAOYSA-N 308.172 0.181 70 40 DCIB CCc1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)[nH]n1 160513245 RJQFQPRMCKMIGF-GXSJLCMTSA-N 314.411 0.420 70 40 DCIB O=C1CCC(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 217717497 PZDRVSOJZKEBBS-UHFFFAOYSA-N 322.386 0.392 70 40 DCIB Cn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 97977114 JYPRIYKAMFADLC-UHFFFAOYSA-N 319.339 0.879 70 40 DCIB O=C(c1cnccn1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217718676 NBPTXFFWNULJNW-RYUDHWBXSA-N 312.329 0.252 70 40 DCIB CC1(C)O[C@H]2CO[C@H](c3[nH]nc(C(N)=O)c3C(=O)N=[N+]=[N-])[C@@H]2O1 16952890 ZWWDSWGRZYULPG-GFEROQDTSA-N 322.281 0.551 70 40 DCIB CN(C)C(=O)OCCN1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 159544307 BAOSNZOZRPPPDB-XYPWUTKMSA-N 324.469 0.927 70 40 DCIB O=C(c1ccccn1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217718445 VIILRFSYFQXKKA-CHWSQXEVSA-N 311.341 0.857 70 40 DCIB O=C(COc1ccc(S(=O)(=O)Cl)cc1)N1CCOCC1 100010249 LKHAVHWZJNWKHZ-UHFFFAOYSA-N 319.766 0.852 70 40 DCIB Cc1cc(C(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)n(C)n1 217752513 KVWWYFGCFSCWCP-UHFFFAOYSA-N 303.318 0.894 70 40 DCIB COc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)NC(=O)NC1=O 100506296 UQIFJVGRTXWEMI-NSHDSACASA-N 318.738 0.677 70 40 DCIB in-vitro COC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)Cl 218814885 NTGJOZCAHUTNCU-UHFFFAOYSA-N 301.711 0.981 70 40 DCIB Cc1cc(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)no1 217719042 GOYZVQRWISRADK-VXGBXAGGSA-N 315.329 0.759 70 40 DCIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)N1CCNC1=O 218009582 KYKHJAXIOBCAAB-MRXNPFEDSA-N 319.361 0.954 70 40 DCIB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Cl)cc2)C1=O 100649811 ORLDEAHXSGRRJH-ZETCQYMHSA-N 323.779 0.927 70 40 DCIB Cc1nn(CC(=O)N2CCOCC2)c(C)c1S(=O)(=O)Cl 103603743 ZROYJGRRKLUMBQ-UHFFFAOYSA-N 321.786 0.286 70 40 DCIB CCNS(=O)(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1 218270294 WIIOFEANRNQWHN-UHFFFAOYSA-N 313.784 0.921 70 40 DCIB Cc1nc(CNC(=O)N2CCN(Cc3ccccn3)CC2)no1 160378439 UGCYLWBVLCQNKL-UHFFFAOYSA-N 316.365 0.800 70 40 DCIB COCCn1cnc2ccc(S(=O)(=O)Cl)cc2c1=O 256050682 GDDCSQPIOIDIEM-UHFFFAOYSA-N 302.739 0.970 70 40 DCIB Cc1cc(-c2ccncc2)nn1CCNC(=O)c1cn(C)nn1 217869505 KPFNVBIDUTWFRY-UHFFFAOYSA-N 311.349 0.812 70 40 DCIB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)COc1ccc(F)cc1 217602462 REYKUPAINIEDEL-OLZOCXBDSA-N 311.309 0.993 70 40 DCIB Cn1cc(S(=O)(=O)NC[C@@](C)(O)c2cccs2)cn1 217582090 VWJLCNHIYYEULV-LLVKDONJSA-N 301.393 0.668 70 40 DCIB CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nc2[nH]c(C)cc(=O)n2n1 218488516 QTZPGCHNWNOWHF-MWLCHTKSSA-N 321.381 0.182 70 40 DCIB O=C(c1ccc[n+]([O-])c1S(=O)(=O)Cl)N1CCCCC1 218814106 GCRDOTMKBTYPHR-UHFFFAOYSA-N 304.755 0.874 70 40 DCIB CS(=O)(=O)Nc1cccc(NC(=O)c2cc(=O)nc[nH]2)c1 217793906 JJEVTBPRCCXBFU-UHFFFAOYSA-N 308.319 0.394 70 40 DCIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cn(C)nn1 218009396 GOFODPWNOVNHGY-INIZCTEOSA-N 316.361 0.778 70 40 DCIB CN1C(=O)CS(=O)(=O)c2cc(S(=O)(=O)Cl)ccc21 100004474 RYZBBRMPPLMVMW-UHFFFAOYSA-N 309.752 0.364 70 40 DCIB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)C2CC2)C1 217737972 BIRCHBQGQTXFJZ-VXGBXAGGSA-N 310.375 0.114 70 40 DCIB Cn1ncnc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 97977126 YFDMBPFUTLWYCX-UHFFFAOYSA-N 320.327 0.274 70 40 DCIB O=C(c1cnccn1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217718578 NBPTXFFWNULJNW-TXEJJXNPSA-N 312.329 0.252 70 40 DCIB COC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1 217773476 KQLMFFGLWFFEAO-UHFFFAOYSA-N 306.410 0.985 70 40 DCIB O=C(c1cccnc1)N1Cc2cnc(N3CCOCC3)nc2C1 217605859 FXLJKAGDBYSDSI-UHFFFAOYSA-N 311.345 0.864 70 40 DCIB Cn1cc([C@H](O)CNC(=O)N2CCNC2=O)c2ccccc21 217575570 MXCMRGVTSSAMQR-CYBMUJFWSA-N 302.334 0.947 70 40 DCIB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)COc1ccc(F)cc1 217602557 REYKUPAINIEDEL-STQMWFEESA-N 311.309 0.993 70 40 DCIB Cc1ncc(-c2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)o2)cn1 216656772 CCBUKARVLWTAMS-SNVBAGLBSA-N 323.378 0.974 70 40 DCIB CCc1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)[nH]n1 160513387 RJQFQPRMCKMIGF-MWLCHTKSSA-N 314.411 0.420 70 40 DCIB Cc1cc(OC2CCN(C(=O)N3CCNC3=O)CC2)cc(=O)o1 217770635 AONLAXSJOBJDTJ-UHFFFAOYSA-N 321.333 0.937 70 40 DCIB Cn1nc(C(=O)Nc2cnn(CC3CCOCC3)c2)ccc1=O 218199373 BAMATFLSEZLNGX-UHFFFAOYSA-N 317.349 0.656 70 40 DCIB O=S(=O)(F)c1cc(S(=O)(=O)N2CC(F)C2)ccc1F 1776011213 PBIWOXYLSMHJQT-UHFFFAOYSA-N 315.294 0.826 70 40 DCIB Cn1cccc1[C@H](O)CCNC(=O)C(=O)Nc1cccnc1 217946146 NOGQZALNHSLCMZ-CYBMUJFWSA-N 302.334 0.599 70 40 DCIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)N1CCNC1=O 218009489 KYKHJAXIOBCAAB-INIZCTEOSA-N 319.361 0.954 70 40 DCIB Cc1ncncc1-c1nnc([C@@H]2CCCN(S(C)(=O)=O)C2)o1 216658978 IGFJERKNMMWCLS-SNVBAGLBSA-N 323.378 0.974 70 40 DCIB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)COc1ccc(F)cc1 217602379 REYKUPAINIEDEL-QWHCGFSZSA-N 311.309 0.993 70 40 DCIB O=C(On1nnc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 8431009 GUPXFAGSILDQKM-UHFFFAOYSA-N 312.241 0.969 70 40 DCIB CC1(C)O[C@H]2CO[C@@H](c3[nH]nc(C(N)=O)c3C(=O)N=[N+]=[N-])[C@@H]2O1 16952887 ZWWDSWGRZYULPG-LVSIQRNOSA-N 322.281 0.551 70 40 DCIB NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)CC1 217993754 KQYZENWVEATZMR-BJHJDKERSA-N 320.397 0.203 70 40 DCIB Cc1cc(-c2ccncc2)nn1CCNC(=O)N1CCNC1=O 217871119 IRMFJTBRBMUBLK-UHFFFAOYSA-N 314.349 0.988 70 40 DCIB CC(=O)NCC(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217664884 DIKVVFFBGOSMRA-AWEZNQCLSA-N 313.361 0.855 70 40 DCIB COC(=O)c1cnn(-c2ccncc2)c1S(=O)(=O)Cl 218814992 ZZBRQVPEMPBOJX-UHFFFAOYSA-N 301.711 0.981 70 40 DCIB COC(=O)[C@@H](C)NC(=O)CCCn1nnc2ccccc2c1=O 216642692 PFMXWAWNESAUQV-SNVBAGLBSA-N 318.333 0.249 70 40 DCIB Cc1ncc(-c2nnc(C3CCN(S(C)(=O)=O)CC3)o2)cn1 216636837 IPRLVADYZGYTAS-UHFFFAOYSA-N 323.378 0.974 70 40 DCIB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Cl 100649806 HGSSMWNUDWBIQQ-UHFFFAOYSA-N 323.779 0.989 70 40 DCIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cn(C)nn1 218009317 GOFODPWNOVNHGY-MRXNPFEDSA-N 316.361 0.778 70 40 DCIB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(S(=O)(=O)C2CC2)C1 217737898 BIRCHBQGQTXFJZ-RYUDHWBXSA-N 310.375 0.114 70 40 DCIB CN(C)S(=O)(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217669169 FVOCQKLAVUQLQN-ZDUSSCGKSA-N 321.406 0.998 70 40 DCIB CCN(CC)C[C@@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217387893 QSLQVIBFXQMVCH-ARFHVFGLSA-N 319.449 0.970 70 40 DCIB Cc1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)no1 217718969 GOYZVQRWISRADK-RYUDHWBXSA-N 315.329 0.759 70 40 DCIB CC(=O)NCC(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217664968 DIKVVFFBGOSMRA-CQSZACIVSA-N 313.361 0.855 70 40 DCIB CN1CCN(C(=O)Cc2noc(COc3ccccc3)n2)CC1 216845159 MSRIVUAYGAQGND-UHFFFAOYSA-N 316.361 0.965 70 40 DCIB Cc1cc(O[C@H]2CCN(S(=O)(=O)C3CC3)C2)cc(=O)n1C 217773802 KRNXEEXSLCCJSY-NSHDSACASA-N 312.391 0.639 70 40 DCIB CC1(C)O[C@@H]2[C@@H](CO[C@@H]2c2[nH]nc(C(N)=O)c2C(=O)N=[N+]=[N-])O1 16952889 ZWWDSWGRZYULPG-AZHPSCLISA-N 322.281 0.551 70 40 DCIB Cn1cc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCO3)cn1 217585641 UBEALPLIOKUWAN-ZDUSSCGKSA-N 323.374 0.367 70 40 DCIB Cc1cc(O[C@@H]2CCN(S(=O)(=O)C3CC3)C2)cc(=O)n1C 217773728 KRNXEEXSLCCJSY-LLVKDONJSA-N 312.391 0.639 70 40 DCIB CCc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)[nH]n1 160512983 RJQFQPRMCKMIGF-ONGXEEELSA-N 314.411 0.420 70 40 DCIB CS(=O)(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217850746 AGUJPXLVDVRJJB-SNVBAGLBSA-N 323.378 0.741 70 40 DCIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cccnc1)C2 217675636 SJMGZJMSUFRSCM-STQMWFEESA-N 309.391 0.766 70 40 DCIB CON=C(C(=O)On1nnc2ccccc21)c1csc(N)n1 256073502 WKQPUFYPPOFADD-UHFFFAOYSA-N 318.318 0.476 70 40 DCIB Cn1cc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)cn1 217580220 BPOQPFWBJZAQAQ-HNNXBMFYSA-N 321.402 0.996 70 40 DCIB CS(=O)(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217850832 AGUJPXLVDVRJJB-JTQLQIEISA-N 323.378 0.741 70 40 DCIB CS(=O)(=O)N[C@@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 257210185 BTPHKMZYFUWQOT-SECBINFHSA-N 309.796 0.631 70 40 DCIB Cn1cc(S(=O)(=O)Cl)c(I)n1 408716564 OITYYQJGUUTBPC-UHFFFAOYSA-N 306.512 0.952 70 40 DCIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NS(=O)(=O)C1CC1)C2 217684900 MZNIYTYVSKZGGP-UWVGGRQHSA-N 308.425 0.023 70 40 DCIB O=C(c1cnccn1)N1Cc2cnc(N3CCOCC3)nc2C1 217606069 ROQVVGNODVNMHT-UHFFFAOYSA-N 312.333 0.259 70 40 DCIB Cn1ncc(S(=O)(=O)Cl)c1I 306940751 HJAADXPCNFUOLH-UHFFFAOYSA-N 306.512 0.952 70 40 DCIB COC(=O)N1CCC(CS(=O)(=O)Cl)(C(=O)OC)CC1 145778437 LZTJORIXELLSNH-UHFFFAOYSA-N 313.759 0.577 70 40 DCIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(N)=O)c2)CC1 216873479 PFDWKJROKYDPDO-UHFFFAOYSA-N 317.798 0.375 70 40 DCIB COC(=O)c1ccc(C(=O)N2CC(N3C(=O)CCC3=O)C2)cc1 217715387 AZIXPDFPZOMZAE-UHFFFAOYSA-N 316.313 0.447 70 40 DCIB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Cl 100492517 ARQUTLIWFRSWFE-MRVPVSSYSA-N 312.800 0.787 70 40 DCIB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)COc1ccc(F)cc1 217602297 REYKUPAINIEDEL-CHWSQXEVSA-N 311.309 0.993 70 40 DCIB O=C(Cn1cccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217612582 GWVBHDCWZAXIQH-UHFFFAOYSA-N 313.361 0.657 70 40 DCIB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Cl 100492521 ARQUTLIWFRSWFE-QMMMGPOBSA-N 312.800 0.787 70 40 DCIB Cc1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)no1 217718869 GOYZVQRWISRADK-TXEJJXNPSA-N 315.329 0.759 70 40 DCIB O=C(c1ccccn1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217718364 VIILRFSYFQXKKA-STQMWFEESA-N 311.341 0.857 70 40 DCIB CS(=O)(=O)N[C@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 257210186 BTPHKMZYFUWQOT-VIFPVBQESA-N 309.796 0.631 70 40 DCIB COc1ccc(S(=O)(=O)N(C)C)cc1S(=O)(=O)Cl 218269974 QXYPMUNKDRELSN-UHFFFAOYSA-N 313.784 0.873 70 40 DCIB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Cl 100649830 ZCTMZTOADIABMD-UHFFFAOYSA-N 323.779 0.989 70 40 DCIB O=C(CN1C(=O)CCC1=O)Nc1cnn(CC2CCOCC2)c1 218220605 XTFHBNDZMWUJBJ-UHFFFAOYSA-N 320.349 0.397 70 40 DCIB O=C(c1ccccn1)N1Cc2cnc(N3CCOCC3)nc2C1 217605960 DONJUWDQFZFJHI-UHFFFAOYSA-N 311.345 0.864 70 40 DCIB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccn1 217759735 NMGVTCUMMXECRC-FOSCPWQOSA-N 314.345 0.761 70 40 DCIB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Cl)cc1 100649793 MQPCLPMSZPEGCP-UHFFFAOYSA-N 309.752 0.681 70 40 DCIB Cn1cc(S(=O)(=O)NC[C@](C)(O)c2cccs2)cn1 217582166 VWJLCNHIYYEULV-NSHDSACASA-N 301.393 0.668 70 40 DCIB COCCN1C(=O)C(=O)c2cc(S(=O)(=O)Cl)ccc21 218748841 GYBDGVILPSGOTL-UHFFFAOYSA-N 303.723 0.790 70 40 DCIB Cc1ccccc1OCC(=O)N1CC(N2C(=O)CCC2=O)C1 217715276 JGWWFMONSOIVQX-UHFFFAOYSA-N 302.330 0.734 70 40 DCIB C[C@@](O)(CNC(=O)C(=O)NCc1ccco1)Cc1ccco1 217283016 FWETZZZQOKWAJY-HNNXBMFYSA-N 306.318 0.599 70 40 DCIB Cn1nnnc1COc1ccc(S(=O)(=O)Cl)cc1F 110749314 VNRBYTMVXHBTGE-UHFFFAOYSA-N 306.706 0.856 70 40 DCIB O=C(c1cnccn1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217718756 NBPTXFFWNULJNW-VXGBXAGGSA-N 312.329 0.252 70 40 DCIB COC(=O)Cc1c(C)nc(SC)nc1N1CCN(C)CC1 216845752 SWNMIXAEEKRJRU-UHFFFAOYSA-N 310.423 0.974 70 40 DCIB Cn1cccc1[C@@H](O)CCNC(=O)C(=O)Nc1cccnc1 217946236 NOGQZALNHSLCMZ-ZDUSSCGKSA-N 302.334 0.599 70 40 DCIB O=C(Cn1cnc2ccccc21)N1CC(N2C(=O)CCC2=O)C1 217716686 DDIISKHMPPFVHC-UHFFFAOYSA-N 312.329 0.396 70 40 DCIB Cn1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1 97977113 FWKVPBUCTBYILM-UHFFFAOYSA-N 319.339 0.879 70 40 DCIB CCN(CC)C[C@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217387829 QSLQVIBFXQMVCH-XHSDSOJGSA-N 319.449 0.970 70 40 DCIB CN(C)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21 103693274 JZLIKAJIOCGCRH-UHFFFAOYSA-N 318.738 0.610 70 40 DCIB Cc1ncncc1-c1nnc([C@H]2CCCN(S(C)(=O)=O)C2)o1 216659020 IGFJERKNMMWCLS-JTQLQIEISA-N 323.378 0.974 70 40 DCIB Cc1cc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)no1 217606175 PABMNAZAJCVCTI-UHFFFAOYSA-N 315.333 0.766 70 40 DCIB CCOc1ccc(CC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1 217715499 MILBBLOQGAXWOU-UHFFFAOYSA-N 316.357 0.988 70 40 DCIB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)C2CC2)C1 217737818 BIRCHBQGQTXFJZ-TXEJJXNPSA-N 310.375 0.114 70 40 DCIB COC[C@](C)(O)CNS(=O)(=O)c1cccc2cccnc12 217571772 MIUXSPLXLIBLQA-CQSZACIVSA-N 310.375 0.911 70 40 DCIB Cn1cc([C@@H](O)CNC(=O)N2CCNC2=O)c2ccccc21 217575652 MXCMRGVTSSAMQR-ZDUSSCGKSA-N 302.334 0.947 70 40 DCIB Cc1nc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)no1 97977129 SDKBBSGOBJDWOW-UHFFFAOYSA-N 321.311 0.837 70 40 DCIB O=C(c1ccccn1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217718279 VIILRFSYFQXKKA-BETUJISGSA-N 311.341 0.857 70 40 DCIB CN1CCC(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 217014267 SGUYIBQCCYWIPA-OKILXGFUSA-N 319.405 0.538 70 40 DCIB CN(C)S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217669257 FVOCQKLAVUQLQN-CYBMUJFWSA-N 321.406 0.998 70 40 DCIB O=C(c1ccno1)N1Cc2cnc(N3CCOCC3)nc2C1 217605750 RWBHUBISYARYAQ-UHFFFAOYSA-N 301.306 0.457 70 40 DCIB O=c1c2cccc(S(=O)(=O)Cl)c2nc2n1CCOC2 256055215 ZTNQROVOTQMPDS-UHFFFAOYSA-N 300.723 0.854 70 40 DCIB COc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)NC(=O)NC1=O 100506297 UQIFJVGRTXWEMI-LLVKDONJSA-N 318.738 0.677 70 40 DCIB in-vitro C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Cl)cc2)C1=O 100649808 ORLDEAHXSGRRJH-SSDOTTSWSA-N 323.779 0.927 70 40 DCIB Cn1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)cn1 217580143 BPOQPFWBJZAQAQ-OAHLLOKOSA-N 321.402 0.996 70 40 DCIB CC1(C)O[C@H]2[C@H](c3[nH]nc(C(N)=O)c3C(=O)N=[N+]=[N-])OC[C@H]2O1 16952885 ZWWDSWGRZYULPG-NLSBCDNUSA-N 322.281 0.551 70 40 DCIB CCc1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)[nH]n1 160513110 RJQFQPRMCKMIGF-KOLCDFICSA-N 314.411 0.420 70 40 DCIB COC[C@@](C)(O)CNS(=O)(=O)c1cccc2cccnc12 217571848 MIUXSPLXLIBLQA-AWEZNQCLSA-N 310.375 0.911 70 40 DCIB COC(=O)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(C)C 216648532 HOXMDHJRZBHJSO-CYBMUJFWSA-N 318.333 0.105 70 40 DCIB CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2ncnn2c1=O 218554876 JWTSTCHMGGLVRT-BXKDBHETSA-N 321.381 0.182 70 40 DCIB Cc1ncc(-c2nnc([C@H]3CCCN(S(C)(=O)=O)C3)o2)cn1 216656820 CCBUKARVLWTAMS-JTQLQIEISA-N 323.378 0.974 70 40 DCIB Cc1ncncc1-c1nnc(C2CCN(S(C)(=O)=O)CC2)o1 216638184 VHWIEQXEPUTYFS-UHFFFAOYSA-N 323.378 0.974 70 40 DCIB O=S(=O)(Cl)c1cnn(Cc2nnc3n2CCCC3)c1 59211824 XBGLBNBDVRQXTI-UHFFFAOYSA-N 301.759 0.787 70 40 DCIB Cn1cc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)cn1 217585729 UBEALPLIOKUWAN-CYBMUJFWSA-N 323.374 0.367 70 40 DCIB COCCn1cnc2c(S(=O)(=O)Cl)cccc2c1=O 256053634 SESBEGJWMOIBOI-UHFFFAOYSA-N 302.739 0.970 70 40 DCIB Cc1cc(OC2CN(S(=O)(=O)c3cccnc3)C2)cc(=O)o1 217753053 XCDPVAHLTQGBCW-UHFFFAOYSA-N 322.342 0.795 70 40 DCIB C[C@](O)(CNC(=O)C(=O)NCc1ccco1)Cc1ccco1 217283015 FWETZZZQOKWAJY-OAHLLOKOSA-N 306.318 0.599 70 40 DCIB Cc1oncc1C(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 217756892 XUVPJXKULROYNJ-UHFFFAOYSA-N 303.318 0.894 70 40 DCIB