smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](CNC(=O)[C@@H]1CCCN(C)C1)Cc1cccc2ccccc12 216917389 MBZUSGALRWJQQZ-QFBILLFUSA-N 324.468 3.476 70 40 DGIB Cc1ccccc1C(=O)NCCn1ccc(-c2ccsc2)n1 217883879 VVHAODJMKCGXBP-UHFFFAOYSA-N 311.410 3.350 70 40 DGIB O=C(/C=C/c1cccs1)Nc1cnn(CC2CCOCC2)c1 218201731 MNNVVBNXGIFOLH-ONEGZZNKSA-N 317.414 3.023 70 40 DGIB Cc1ccc(SCCCNC(=O)CC2CCN(C)CC2)cc1 216903079 SNQLBPQEUARTGG-UHFFFAOYSA-N 320.502 3.325 70 40 DGIB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2 216924416 XAGHBHCOEILLCN-MRXNPFEDSA-N 316.445 3.055 70 40 DGIB O=C(NC[C@](O)(c1ccccc1)C1CC1)c1cc2ccccc2[nH]1 217576731 RDUFQOFMLFOCRE-FQEVSTJZSA-N 320.392 3.196 70 40 DGIB CC(C)COCc1nn(C2CCCC2)cc1S(=O)(=O)Cl 408715593 WGUHOYBJBAJTNI-UHFFFAOYSA-N 320.842 3.098 70 40 DGIB CCSc1ccccc1C(=O)NCCC1CCN(C)CC1 217036672 YAUNOLHCGFQGAU-UHFFFAOYSA-N 306.475 3.260 70 40 DGIB CCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3CC)c2)c1 216709386 JTZJKBQIMXFJJS-KRWDZBQOSA-N 316.426 3.470 70 40 DGIB Cc1cccc(C)c1OCC(=O)n1cc(C(N)=O)c2ccccc21 218737488 XCWDWRLSYBAVID-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB CCc1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1 216950347 SKSBDFMXCBXJNJ-UHFFFAOYSA-N 306.365 3.300 70 40 DGIB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(C)C1 216917840 GVQYIVHOEXLIRK-HOTGVXAUSA-N 302.462 3.201 70 40 DGIB Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)C(C)C)C3)o2)cc1 216662654 YYGGAMKAWAIBMJ-HNNXBMFYSA-N 313.401 3.407 70 40 DGIB COc1ccccc1C(=O)NCCCN1CCCc2ccccc21 218170463 IUSOQMFTONONJG-UHFFFAOYSA-N 324.424 3.268 70 40 DGIB C[C@](O)(CNC(=O)c1ccsc1)c1cc2ccccc2o1 217983568 PNHCDBTUIDJTOJ-INIZCTEOSA-N 301.367 3.132 70 40 DGIB O=C(NCCSC1CCOCC1)c1ccc(Cl)s1 217700133 ASPNOPWFSYJOTI-UHFFFAOYSA-N 305.852 3.044 70 40 DGIB CC(C)c1nc2ccccc2n1CCCS(=O)(=O)Cl 110752695 PCYDHAOAWJLNMK-UHFFFAOYSA-N 300.811 3.118 70 40 DGIB COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2C)c1 216678095 LZDOEPMTKYLTIZ-QGZVFWFLSA-N 316.426 3.006 70 40 DGIB COCCN1C(=O)CS[C@H]1c1ccn(-c2ccc(C)cc2)c1 216678382 UABXHYPBNXDFKM-KRWDZBQOSA-N 316.426 3.006 70 40 DGIB Cc1ccccc1Cn1cc([C@H]2OCCN2c2ccccc2)nn1 216754922 CCWRSQGRIVRFIG-LJQANCHMSA-N 320.396 3.170 70 40 DGIB CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cnn(C(C)(C)C)c1 161289492 BPVVWZXSWNTPOZ-HNNXBMFYSA-N 322.453 3.451 70 40 DGIB Cc1ccccc1CSCCCNC(=O)[C@@H]1CCCN(C)C1 216916649 YZCCITVQRBTDDJ-MRXNPFEDSA-N 320.502 3.076 70 40 DGIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(C)C1 216918465 VBVAZWQXZUSKGA-GOEBONIOSA-N 316.445 3.055 70 40 DGIB Cc1ccccc1-c1nnc(C2CCN(C(=O)C3CC3)CC2)o1 216639952 ZQZNPONCASACAW-UHFFFAOYSA-N 311.385 3.161 70 40 DGIB CC(C)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1 216661957 QYRVXGHSRXZWPI-GFCCVEGCSA-N 317.364 3.238 70 40 DGIB CCc1nnc2sc(-c3ccc(N(CC)CC)cc3)nn12 216885135 HEQNENZSMGRXRV-UHFFFAOYSA-N 301.419 3.261 70 40 DGIB CCCOc1cccc(C(=O)n2cc(C(N)=O)c3ccccc32)c1 216956997 UXALRWAXYMGKGJ-UHFFFAOYSA-N 322.364 3.218 70 40 DGIB CCCOc1ccc(Br)cc1S(=O)(=O)Cl 100507820 RGCZSGFZDFOXHT-UHFFFAOYSA-N 313.600 3.165 70 40 DGIB C[C@](O)(CNC(=O)Cc1ccsc1)c1cc2ccccc2o1 217993709 NCQGGNSAPWYUKE-KRWDZBQOSA-N 315.394 3.061 70 40 DGIB O=S(=O)(Oc1cc(F)ccc1C(F)(F)F)C(F)(F)F 245482658 ZGSISANFSKIPTR-UHFFFAOYSA-N 312.162 3.073 70 40 DGIB O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@@H]1CCOC1 218566330 ZJIHNWOJVSIDIC-LLVKDONJSA-N 313.382 3.038 70 40 DGIB C[C@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2o1 217994839 MNMLKBVXVKWGAH-DKFQHHCZSA-N 311.337 3.063 70 40 DGIB O=C([C@@H]1CC=CCC1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217658200 JPNHCSPTZHIAPW-SJORKVTESA-N 322.412 3.075 70 40 DGIB O=S(=O)(Oc1ccc(F)cc1C(F)(F)F)C(F)(F)F 245482558 QMLINESEVIVNDY-UHFFFAOYSA-N 312.162 3.073 70 40 DGIB CC[C@H](C)n1ncc(S(=O)(=O)Cl)c1CO[C@H](C)CC 408716329 LPUNHZLCBIZSNT-VHSXEESVSA-N 308.831 3.097 70 40 DGIB CCCOc1cc(S(=O)(=O)Cl)ccc1Br 100757957 IIQIIKAZSJVAQT-UHFFFAOYSA-N 313.600 3.165 70 40 DGIB COc1cc([C@H]2OC[C@@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1O 217377752 JVGXICUTXHMMNN-HOHJNREFSA-N 318.413 3.299 70 40 DGIB CCCCOCc1nn(C2CCCC2)cc1S(=O)(=O)Cl 408715438 ODLFKGJBWVKCSZ-UHFFFAOYSA-N 320.842 3.242 70 40 DGIB Cc1csc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)c1 218114474 WXXWZJZTXIQYRB-GFCCVEGCSA-N 321.471 3.159 70 40 DGIB Cc1csc(C(=O)NCCn2ccc(-c3ccsc3)n2)c1 217888278 SJYVKTLFIILILW-UHFFFAOYSA-N 317.439 3.412 70 40 DGIB Cc1csc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1 217984149 LCNYJWZAOFVHTL-QGZVFWFLSA-N 315.394 3.440 70 40 DGIB CON(Cc1ccccc1)C(=O)Nc1ccc([S@](C)=O)cc1 161129846 ACLSFZTVRSHYFX-JOCHJYFZSA-N 318.398 3.020 70 40 DGIB O=S(=O)(Cl)c1cccc(COCC(F)(F)C(F)F)c1 59417668 ZQUHKCPCZCQTAB-UHFFFAOYSA-N 320.691 3.031 70 40 DGIB in-vitro CCOc1ccccc1-n1ccc([C@H]2SCC(=O)N2C)c1 216706644 USPSNGMATBPQPF-MRXNPFEDSA-N 302.399 3.080 70 40 DGIB Cc1ccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)cc1 216755153 MBRSSJJJQCSSGG-LJQANCHMSA-N 320.396 3.170 70 40 DGIB COC(=O)c1c(C)n(C(=O)c2cccc(OC)c2)c2ccccc12 216956274 VXHDEAGXPGPRHL-UHFFFAOYSA-N 323.348 3.433 70 40 DGIB CCCN(C[C@H]1CCCCO1)C(=O)Nc1cnc(C2CC2)nc1 159588014 OGHJELWKUVAFID-OAHLLOKOSA-N 318.421 3.167 70 40 DGIB O=S(=O)(Cl)c1ccc(OCC(F)(F)F)cc1Cl 59108101 FUDMTSFSXQJHPI-UHFFFAOYSA-N 309.092 3.209 70 40 DGIB O=C(NCCSC1CCOCC1)Nc1ccccc1Cl 217708297 KNLHHEPYBCYEPT-UHFFFAOYSA-N 314.838 3.374 70 40 DGIB CN(C)[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 160573790 PVCXHCAAZHLWFH-LBPRGKRZSA-N 320.742 3.135 70 40 DGIB O=C(/C=C/c1ccco1)NCCn1ccc(-c2ccsc2)n1 217882813 NVOHGSTWYSENOO-ONEGZZNKSA-N 313.382 3.034 70 40 DGIB O=C(COc1ccc(Cl)cc1)Nc1ccn2nccc2c1 217954298 IAUIHPVBCKBWLB-UHFFFAOYSA-N 301.733 3.005 70 40 DGIB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(C)C2)cc1 216915299 YBHKADYFCXOVGR-FUHWJXTLSA-N 318.461 3.240 70 40 DGIB CCOc1ccc(-n2ccc([C@@H]3SCC(=O)N3C)c2)cc1 216705792 XBDVANSGJOQUIK-INIZCTEOSA-N 302.399 3.080 70 40 DGIB COCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(C)c2)c1 216678263 MOWDEWWOZVWNSC-KRWDZBQOSA-N 316.426 3.006 70 40 DGIB Cc1ccc(OCC(=O)n2cc(C(N)=O)c3ccccc32)c(C)c1 216727908 DMURISWVLWXLAV-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB Cc1noc(CNC(=O)Nc2cccc(CSC(C)C)c2)n1 160951134 UKUFVVGYYBXAQC-UHFFFAOYSA-N 320.418 3.341 70 40 DGIB Fc1ccccc1Cn1cc([C@@H]2OCCN2c2ccccc2)nn1 216755560 GZMBBOCNQVBBNM-SFHVURJKSA-N 324.359 3.001 70 40 DGIB O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)Cl)cc2)c1 101521120 TURHQWOQNPGGPU-UHFFFAOYSA-N 313.718 3.315 70 40 DGIB COc1ccc(-c2nnc(N)o2)cc1OCc1ccc(F)cc1 216802557 IVGUPPLVEOQTNY-UHFFFAOYSA-N 315.304 3.046 70 40 DGIB CC(C)Oc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1 216958044 HYNGQJUCISVTDH-UHFFFAOYSA-N 322.364 3.216 70 40 DGIB COc1ccc(-c2nnc(N)o2)cc1OCc1cccc(F)c1 216802790 IIBMLBLPMZGKDS-UHFFFAOYSA-N 315.304 3.046 70 40 DGIB C[C@@H](Oc1ccccc1)C(=O)NCCOc1ccccc1Cl 159408857 OGWBEQMVGDLREW-CYBMUJFWSA-N 319.788 3.303 70 40 DGIB CCOc1ccc(-n2ccc([C@@H]3SCC(=O)N3CC)c2)cc1 216708480 BGSGRZOFIKYVLY-KRWDZBQOSA-N 316.426 3.470 70 40 DGIB Cc1cccc(CSCCCNC(=O)[C@@H]2CCCN(C)C2)c1 216916709 IPSFXZVVMZSWAS-QGZVFWFLSA-N 320.502 3.076 70 40 DGIB COc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(SC)C3)cc1 217717416 UCQMVEZXIYCNRX-KBPBESRZSA-N 320.458 3.263 70 40 DGIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nsnc2c1 217589138 KHQUPMFOUWPZQF-FOSCPWQOSA-N 319.455 3.190 70 40 DGIB CC[C@@H](C(=O)NCCSC1CCOCC1)c1ccccc1 217700331 GXAKXNWNGUGKKQ-MRXNPFEDSA-N 307.459 3.209 70 40 DGIB CCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2OC)c1 216708308 AOIORMRKBGDPKK-INIZCTEOSA-N 302.399 3.080 70 40 DGIB COc1ccc(OC[C@H](C)NC(=O)CCc2ccccc2)cc1 218171273 GPHVDPKVCNHGHU-HNNXBMFYSA-N 313.397 3.212 70 40 DGIB CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(O)cc12 217759879 XOUZGRKIJVHEJG-UHFFFAOYSA-N 310.353 3.275 70 40 DGIB CCOC(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl 59262116 YHIZDNSNZWVKCW-UHFFFAOYSA-N 317.577 3.098 70 40 DGIB Cc1ccc(CSCCCNC(=O)C2CCN(C)CC2)cc1 216923710 IXJNHRLPCARXEO-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cc2ccccc2[nH]1 217576802 RDUFQOFMLFOCRE-HXUWFJFHSA-N 320.392 3.196 70 40 DGIB CSc1ccccc1C(=O)NCC[C@H](O)c1ccsc1 217528703 LDIJBZIVRFSKSJ-ZDUSSCGKSA-N 307.440 3.324 70 40 DGIB Cc1cccc(CC(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1 217984533 MPJNJGKSYIJLEB-HXUWFJFHSA-N 323.392 3.308 70 40 DGIB O=C(NCC[C@H](O)c1ccsc1)c1cc2ccccc2o1 217527554 RIMWXFOVTCOGMM-ZDUSSCGKSA-N 301.367 3.348 70 40 DGIB COc1ccccc1/C=C/C(=O)NCCSCc1ccco1 217964077 CQFGWKNPLTVPOU-CMDGGOBGSA-N 317.410 3.351 70 40 DGIB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccccc1 216893256 DFNYRMFDUXMUGW-CSKARUKUSA-N 323.352 3.410 70 40 DGIB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCC1CCN(C)CC1 217034579 RYSLHDAFHDMMHM-SFHVURJKSA-N 318.461 3.001 70 40 DGIB Cc1ccc(S[C@H](C)C(=O)NCCC2CCN(C)CC2)cc1 216930618 GPDAUXIMAYIDSR-OAHLLOKOSA-N 320.502 3.324 70 40 DGIB Cc1ccccc1OCC(=O)NC[C@H]1CCCN1c1ccccc1 217812417 AZMXWPKGZOMNQL-GOSISDBHSA-N 324.424 3.159 70 40 DGIB Cc1ccc(N2C(=O)C[C@]3(C[C@H]4C=C[C@@H]3C4)C2=O)cc1Cl 217546764 GXOZXNMLJNKKHT-JKDFXYPNSA-N 301.773 3.494 70 40 DGIB CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cnc(C2CC2)nc1 159587883 OGHJELWKUVAFID-HNNXBMFYSA-N 318.421 3.167 70 40 DGIB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(C)C1)CC(C)(C)O2 216918314 VHHKZSUKNVZFCU-HOCLYGCPSA-N 316.445 3.055 70 40 DGIB CCOc1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1 216957889 HUTNPQQGJPRZSF-UHFFFAOYSA-N 322.364 3.136 70 40 DGIB Cc1cc(C)cc(OCC(=O)n2cc(C(N)=O)c3ccccc32)c1 218738752 YAWWVEAAVMZAMO-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB O=[N+]([O-])c1cccc(/C=C/c2ccc(S(=O)(=O)F)cc2)c1 100172717 XSQBFZPBRJHBIV-SNAWJCMRSA-N 307.302 3.423 70 40 DGIB CC[C@H](CNC(=O)CC1CCN(C)CC1)Cc1ccccc1 216903894 SKHWPXZDJWWMBQ-INIZCTEOSA-N 302.462 3.103 70 40 DGIB O=C(NCC[C@H](O)c1ccsc1)c1ccc(Cl)s1 217527752 YPVODAONTHNREW-VIFPVBQESA-N 301.820 3.317 70 40 DGIB CCCCOCc1c(S(=O)(=O)Cl)cnn1[C@@H](C)CC 408716016 HZWYZTBXNIIEMF-JTQLQIEISA-N 308.831 3.098 70 40 DGIB Cc1cc(OCC(=O)Nc2nccs2)c2cccc(C)c2n1 217429929 SREZYLVLITVNKY-UHFFFAOYSA-N 313.382 3.326 70 40 DGIB COC(=O)c1c(C)n(C(=O)COc2ccccc2)c2ccccc12 216722476 XEPWNNJEHBWKDX-UHFFFAOYSA-N 323.348 3.456 70 40 DGIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 217882954 YTADNPXJCLXVJD-XETPBLJFSA-N 311.381 3.292 70 40 DGIB C[C@@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2s1 217506833 DSPMTWOUYXQNDR-MRXNPFEDSA-N 301.367 3.132 70 40 DGIB CCc1nc(CNC(C)(c2ccccc2)c2ccccc2)n[nH]1 160413921 KMNQVMIBKXDDDT-UHFFFAOYSA-N 306.413 3.420 70 40 DGIB Cc1ccccc1CSCC(=O)NCCC1CCN(C)CC1 216928355 LELLHUYTFGKHEX-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB O=C(NCC[C@@H](O)c1ccsc1)c1c(F)cccc1Cl 217529379 DXBGOWOOMKTIQC-GFCCVEGCSA-N 313.781 3.394 70 40 DGIB Cc1ccccc1CSCCCNC(=O)C1CCN(C)CC1 216923647 NITDOIQGCLGIQG-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc2c(c1)OCO2 217718446 OOODLVHUPIMLDF-FUNVUKJBSA-N 320.414 3.306 70 40 DGIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)Nc1cccs1 218168536 RKIHUYXLGUCLIU-NSHDSACASA-N 322.459 3.243 70 40 DGIB Cc1ccc(-c2nnc(C3CCN(C(=O)C4CC4)CC3)o2)cc1 216640167 BNRQTZZXMDBKPG-UHFFFAOYSA-N 311.385 3.161 70 40 DGIB COC(=O)c1scc(-c2cccs2)c1S(=O)(=O)Cl 110753874 BJUQCBLNDYEYIK-UHFFFAOYSA-N 322.816 3.191 70 40 DGIB O=C(Nc1cnn(CC2CCOCC2)c1)OCc1ccccc1 218231760 JDCRFGXTZTXEJO-UHFFFAOYSA-N 315.373 3.058 70 40 DGIB COc1cc(N)c(CC(=O)Nc2ccc(Cl)cc2)cc1OC 217672122 MZXHZWWQQKOVKF-UHFFFAOYSA-N 320.776 3.121 70 40 DGIB CCCCCCS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 217424243 BDVPKRQZKOYSRF-UHFFFAOYSA-N 307.415 3.191 70 40 DGIB Cc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)C3CC3)C2)o1 216662515 IMCKSXCYBPCOOS-CQSZACIVSA-N 311.385 3.161 70 40 DGIB COc1ccc(/C=C/C(=O)NCCCN(C)c2ccccc2)cc1 217922243 ZVZDTTMUCAMKPB-SDNWHVSQSA-N 324.424 3.351 70 40 DGIB Cc1ccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)cc1 216755104 MBRSSJJJQCSSGG-IBGZPJMESA-N 320.396 3.170 70 40 DGIB Cc1cccc(OCC(=O)n2cc(C(N)=O)c3ccccc32)c1C 216724764 LRQZFWNAQSIXTL-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB O=S(=O)(Oc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F 245482265 AGZLRGUWMRQTPZ-UHFFFAOYSA-N 312.162 3.073 70 40 DGIB CCCOc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1 216958311 FAPOAUHMGDECPF-UHFFFAOYSA-N 322.364 3.218 70 40 DGIB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Cl 102917265 OYSRBWLWVLUXIS-UHFFFAOYSA-N 316.787 3.129 70 40 DGIB Cc1cc(C(F)(F)F)nn1-c1ccc(S(=O)(=O)Cl)cc1 103695508 GYWXDUIWFPNCOV-UHFFFAOYSA-N 324.711 3.127 70 40 DGIB CN1CCC(CC(=O)NCCCc2ccccc2Cl)CC1 216898718 AMJLZZFNSONGBR-UHFFFAOYSA-N 308.853 3.121 70 40 DGIB C[C@H](Oc1ccccc1)C(=O)NCCOc1ccccc1Cl 159408718 OGWBEQMVGDLREW-ZDUSSCGKSA-N 319.788 3.303 70 40 DGIB O=C(CCc1ccccc1)NCCOc1ccccc1Cl 159378566 XREDEJYERBSXGX-UHFFFAOYSA-N 303.789 3.468 70 40 DGIB CCCC(=O)N1CCC(c2nnc(-c3ccccc3F)o2)CC1 216630198 KJCFCSBCNPQJQU-UHFFFAOYSA-N 317.364 3.382 70 40 DGIB C[C@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1 217984316 YZZCGAWYPPMFNZ-SGWGQVFISA-N 321.376 3.470 70 40 DGIB O=[N+]([O-])c1cccc(/C=C\c2ccc(S(=O)(=O)F)cc2)c1 100172714 XSQBFZPBRJHBIV-PLNGDYQASA-N 307.302 3.423 70 40 DGIB O=S(=O)(Oc1c(F)cccc1C(F)(F)F)C(F)(F)F 245482618 VENRXWFQTKHBSF-UHFFFAOYSA-N 312.162 3.073 70 40 DGIB CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1[C@H](C)CC 408716327 LPUNHZLCBIZSNT-NXEZZACHSA-N 308.831 3.097 70 40 DGIB O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCCCCC1 160776236 JKLNJWIWMPGNDF-IRXDYDNUSA-N 302.418 3.492 70 40 DGIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 216918381 VBVAZWQXZUSKGA-ZBFHGGJFSA-N 316.445 3.055 70 40 DGIB Cc1ccc(CSCCNC(=O)CC2CCN(C)CC2)cc1 216892850 IOYIYGKDZLZQEX-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB O=C(COc1ccccc1)NCCCc1ccc(Cl)cc1 217821488 YRDJQYARFKWJHI-UHFFFAOYSA-N 303.789 3.468 70 40 DGIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2[nH]ccc2c1 218225090 JVARRUFPDADLOR-UHFFFAOYSA-N 324.384 3.043 70 40 DGIB CCOc1ccc(-n2ccc([C@H]3SCC(=O)N3CC)c2)cc1 216708521 BGSGRZOFIKYVLY-QGZVFWFLSA-N 316.426 3.470 70 40 DGIB O=C(NCCSC1CCOCC1)c1ccc(F)cc1Cl 217700816 AUCKATQTMMNJGE-UHFFFAOYSA-N 317.813 3.121 70 40 DGIB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 218699156 LKGHVAJHPDSZCX-CQSZACIVSA-N 317.360 3.097 70 40 DGIB O=C(COc1ccccc1)NCCCN1CCCc2ccccc21 217824863 FYWNSIGEXPJQMT-UHFFFAOYSA-N 324.424 3.025 70 40 DGIB C[C@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 217983772 LLRCPNMHLACHGO-BLGFXRMMSA-N 311.337 3.063 70 40 DGIB Cc1ccc(SCCC(=O)NCCC2CCN(C)CC2)cc1 216930831 MSJNPIREFYNQMD-UHFFFAOYSA-N 320.502 3.325 70 40 DGIB CCOC(=O)Oc1c(Cl)cc(S(=O)(=O)F)cc1Cl 104161737 VNZMMNZBRVFNRY-UHFFFAOYSA-N 317.121 3.187 70 40 DGIB C[C@@H](CNC(=O)[C@H]1CCCN(C)C1)Cc1cccc2ccccc12 216917417 MBZUSGALRWJQQZ-APWZRJJASA-N 324.468 3.476 70 40 DGIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(F)cc1 59108382 KXFCDHAFJMTJLI-UHFFFAOYSA-N 313.737 3.006 70 40 DGIB in-vitro COCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2C)c1 216678144 LZDOEPMTKYLTIZ-KRWDZBQOSA-N 316.426 3.006 70 40 DGIB Cc1ccc(OCC(=O)n2cc(C(N)=O)c3ccccc32)cc1C 218738533 VKKYJPIMKOMQLT-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB O=C(Nc1ccccc1-c1cn2ccccc2n1)C1CCOCC1 217652605 BKXXTPMSDQUDCB-UHFFFAOYSA-N 321.380 3.366 70 40 DGIB CCCCOCc1c(S(=O)(=O)Cl)cnn1C1CCCC1 408716116 JCHJSCQJCJUABM-UHFFFAOYSA-N 320.842 3.242 70 40 DGIB COc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1OC 101039351 XJUTZHXIHSOJGE-UHFFFAOYSA-N 312.774 3.298 70 40 DGIB COC(=O)c1ccc2cc(NC(=O)OC(C)(C)C)ccc2n1 217605468 PWIKTKCZMRFIJY-UHFFFAOYSA-N 302.330 3.368 70 40 DGIB COc1cccc(Cl)c1CC(=O)NCc1cc(C(C)C)no1 159965803 WXKUSVHZRRKIJE-UHFFFAOYSA-N 322.792 3.319 70 40 DGIB COc1ccc(-c2cccc(S(=O)(=O)Cl)c2)c(OC)c1 100503316 VGUJQNMQPHPKBJ-UHFFFAOYSA-N 312.774 3.298 70 40 DGIB C[C@@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1 217984235 YZZCGAWYPPMFNZ-YVNCXZRQSA-N 321.376 3.470 70 40 DGIB Fc1ccccc1N1CCN(Cc2csc(C3CC3)n2)CC1 161260764 ICXUMXOMTOSWPC-UHFFFAOYSA-N 317.433 3.482 70 40 DGIB COC(=O)CCCC(=O)Nc1cc(C)ccc1Br 159518700 NXXRVEYJKLGIRJ-UHFFFAOYSA-N 314.179 3.039 70 40 DGIB CCOC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 217878072 OOBOWXXCXCLQJF-UHFFFAOYSA-N 305.403 3.235 70 40 DGIB O=C(O)c1ccc(/C=C\c2cccc(S(=O)(=O)F)c2)cc1 104169039 KGGHKZJYYWQVLU-PLNGDYQASA-N 306.314 3.213 70 40 DGIB Cc1cc(OCC(=O)Nc2ccccn2)c2cccc(C)c2n1 217430325 DBFIKUXXRKQCGY-UHFFFAOYSA-N 307.353 3.264 70 40 DGIB CCOC(=O)c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1 218492283 QUHFTOJRZPPFRP-UHFFFAOYSA-N 305.374 3.198 70 40 DGIB CC[C@H](C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1 217527932 IHJOBUPLNDBMBP-HOTGVXAUSA-N 303.427 3.482 70 40 DGIB COc1cc(-c2nnc(N)o2)ccc1OCc1ccccc1C 216808448 MKRQNSISFWMCKD-UHFFFAOYSA-N 311.341 3.215 70 40 DGIB COC(=O)c1cccc(-c2ccc(S(=O)(=O)Cl)cc2)c1 97972160 HYZBNCCZGMNGPM-UHFFFAOYSA-N 310.758 3.068 70 40 DGIB COc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1OC 100504591 AKNGUBAMKXMVHM-UHFFFAOYSA-N 312.774 3.298 70 40 DGIB COc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 217846117 OVNJULTULZRIIR-UHFFFAOYSA-N 324.424 3.268 70 40 DGIB CCOc1cccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)c1 216956403 SEZMMSMARYRBSM-UHFFFAOYSA-N 322.364 3.136 70 40 DGIB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(C)C1)CC(C)(C)O2 216918260 VHHKZSUKNVZFCU-ZBFHGGJFSA-N 316.445 3.055 70 40 DGIB O=C(c1ccsc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217654133 HMTVYWCNGQKYCJ-HNNXBMFYSA-N 324.409 3.094 70 40 DGIB CN1CCC(CC(=O)NCc2ccc(Cl)cc2Cl)CC1 216893023 OITHVARQRDCQEO-UHFFFAOYSA-N 315.244 3.342 70 40 DGIB CCOc1ccc(CCCNC(=O)c2ccc(OC)cc2)cc1 217843630 IMPWWVZFBWKVOD-UHFFFAOYSA-N 313.397 3.457 70 40 DGIB C[C@H](C(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)C1CCOCC1 160508381 PZOKKCOIZUAGEK-CJODITQLSA-N 313.441 3.141 70 40 DGIB CCCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1 216645062 SOIQILJGVCWYER-LBPRGKRZSA-N 317.364 3.382 70 40 DGIB Cc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3)nn2)cc1 216760531 HPNWWVYDYCTOJA-IBGZPJMESA-N 320.396 3.170 70 40 DGIB CCCCOCc1nn([C@@H](C)CC)cc1S(=O)(=O)Cl 408715163 CRVXQNMZMQHHFW-JTQLQIEISA-N 308.831 3.098 70 40 DGIB CCCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1 216645012 SOIQILJGVCWYER-GFCCVEGCSA-N 317.364 3.382 70 40 DGIB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C(C)C)C3)o2)cc1 216662619 YYGGAMKAWAIBMJ-OAHLLOKOSA-N 313.401 3.407 70 40 DGIB CCOc1ccc(CNC(=O)Nc2cccc(OC)c2)cc1 217300844 CPTDHIGPLSFDAL-UHFFFAOYSA-N 300.358 3.416 70 40 DGIB CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1C1CCCC1 408716145 JJWPDNDLWFZXFC-JTQLQIEISA-N 320.842 3.241 70 40 DGIB O=C(CSc1ccc(F)cc1)Nc1ccn2nccc2c1 217956011 WMINJIKGRGGANX-UHFFFAOYSA-N 301.346 3.204 70 40 DGIB Cc1ccccc1OCC(=O)NC[C@@H]1CCCN1c1ccccc1 217812351 AZMXWPKGZOMNQL-SFHVURJKSA-N 324.424 3.159 70 40 DGIB O=S(=O)(Cl)c1ccc(OCc2ccccc2)c(F)c1 59107075 IHNGVOKYTBQONR-UHFFFAOYSA-N 300.738 3.332 70 40 DGIB in-vitro COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccccc1 216906496 XMKVRUIZGXQERN-CSKARUKUSA-N 323.352 3.410 70 40 DGIB CCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(OC)cc2)c1 216708368 IMBPDCBZZRZCRN-MRXNPFEDSA-N 302.399 3.080 70 40 DGIB O=C(NCC[C@@H](O)c1ccsc1)c1cc2ccccc2o1 217527641 RIMWXFOVTCOGMM-CYBMUJFWSA-N 301.367 3.348 70 40 DGIB Cc1csc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1 217984063 LCNYJWZAOFVHTL-KRWDZBQOSA-N 315.394 3.440 70 40 DGIB CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1C1CCCC1 408716146 JJWPDNDLWFZXFC-SNVBAGLBSA-N 320.842 3.241 70 40 DGIB Cc1ccc(S[C@@H](C)C(=O)NCCC2CCN(C)CC2)cc1 216930594 GPDAUXIMAYIDSR-HNNXBMFYSA-N 320.502 3.324 70 40 DGIB COC(=O)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 100234878 QDZFJHWZRKRETP-UHFFFAOYSA-N 310.758 3.068 70 40 DGIB Cc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)C(C)C)C2)o1 216662293 SYBJQZLZUURALI-CQSZACIVSA-N 313.401 3.407 70 40 DGIB Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(C)C1)CC(C)(C)O2 216918343 VHHKZSUKNVZFCU-GOEBONIOSA-N 316.445 3.055 70 40 DGIB COc1cc(-c2nnc(N)o2)ccc1OCc1ccc(F)cc1 216808385 KEWYSIIFICQYTM-UHFFFAOYSA-N 315.304 3.046 70 40 DGIB CCOc1ccc(NC(=O)NCC[C@@H](O)c2ccsc2)cc1 217546356 RUKNWLSSOVWECR-OAHLLOKOSA-N 320.414 3.392 70 40 DGIB Cc1cccc(CSCCCNC(=O)[C@H]2CCCN(C)C2)c1 216916734 IPSFXZVVMZSWAS-KRWDZBQOSA-N 320.502 3.076 70 40 DGIB O=C1c2ccccc2C(=O)N1CCC[Si](Cl)(Cl)Cl 195751254 JPPVZXBHRRERQZ-UHFFFAOYSA-N 322.651 3.328 70 40 DGIB Cc1ccccc1-c1nnc(C2CCN(C(=O)C(C)C)CC2)o1 216639807 YWYYXVGKJCHTDS-UHFFFAOYSA-N 313.401 3.407 70 40 DGIB O=C(c1ccccc1)c1cc(Cl)ccc1S(=O)(=O)Cl 95698379 BPSHNCPJAOFFQB-UHFFFAOYSA-N 315.177 3.499 70 40 DGIB [N-]=[N+]=NC(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 17421443 IHZJKEIOAFJMQF-UHFFFAOYSA-N 305.290 3.109 70 40 DGIB O=C(NCCn1ccc(-c2ccsc2)n1)Nc1ccccc1 217889815 PXBCEKVGAOADEP-UHFFFAOYSA-N 312.398 3.433 70 40 DGIB CC[C@@H](C)OCc1nn([C@H](C)CC)cc1S(=O)(=O)Cl 408715474 ROCZZFWSOQNGHH-NXEZZACHSA-N 308.831 3.097 70 40 DGIB COc1cc(-c2nnc(N)o2)ccc1OCc1cccc(F)c1 216808562 PJBQGJJRCVAFAE-UHFFFAOYSA-N 315.304 3.046 70 40 DGIB Cn1nc(CN(C(=O)c2ccco2)C2CCCC2)c2c1CCC2 217909836 XJJVANIUWWZBSY-UHFFFAOYSA-N 313.401 3.087 70 40 DGIB C=P(c1ccccc1)(c1ccccc1)c1ccccc1C=O 100061753 WLNHKVMQWPCCER-UHFFFAOYSA-N 304.329 3.225 70 40 DGIB Cc1cccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)c1 216755029 UALVAUPZGDVIKV-LJQANCHMSA-N 320.396 3.170 70 40 DGIB COC(CN1CCC(c2c[nH]c3cc(F)ccc23)CC1)OC 161050331 JEIYMZPIQSQCNN-UHFFFAOYSA-N 306.381 3.105 70 40 DGIB Cc1ccccc1Cn1cc([C@@H]2OCCN2c2ccccc2)nn1 216754876 CCWRSQGRIVRFIG-IBGZPJMESA-N 320.396 3.170 70 40 DGIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(C)C1 216918435 VBVAZWQXZUSKGA-HOCLYGCPSA-N 316.445 3.055 70 40 DGIB CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 160573676 PVCXHCAAZHLWFH-GFCCVEGCSA-N 320.742 3.135 70 40 DGIB CCCCOCc1nn([C@H](C)CC)cc1S(=O)(=O)Cl 408715165 CRVXQNMZMQHHFW-SNVBAGLBSA-N 308.831 3.098 70 40 DGIB CC(C)C(=O)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1 216661678 ZLRBKPZQLYASBY-ZDUSSCGKSA-N 317.364 3.238 70 40 DGIB CCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(OC)c2)c1 216707824 IIHFKDCNEQZJBJ-MRXNPFEDSA-N 302.399 3.080 70 40 DGIB CC[C@@H](CNC(=O)CC1CCN(C)CC1)Cc1ccccc1 216903858 SKHWPXZDJWWMBQ-MRXNPFEDSA-N 302.462 3.103 70 40 DGIB CCOc1ccccc1-n1ccc([C@@H]2SCC(=O)N2C)c1 216706597 USPSNGMATBPQPF-INIZCTEOSA-N 302.399 3.080 70 40 DGIB Cc1cc(SC(=O)N(C)C)c(S(=O)(=O)F)cc1Cl 104162165 XCMSTTMNVXMXNX-UHFFFAOYSA-N 311.787 3.080 70 40 DGIB CCCCOCc1c(S(=O)(=O)Cl)cnn1[C@H](C)CC 408716017 HZWYZTBXNIIEMF-SNVBAGLBSA-N 308.831 3.098 70 40 DGIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCc1ccccc1 217712769 DCSXKKOAMRALJU-XYPWUTKMSA-N 304.459 3.297 70 40 DGIB Cc1cccc(CC(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1 217984455 MPJNJGKSYIJLEB-FQEVSTJZSA-N 323.392 3.308 70 40 DGIB CC[C@@H](C(=O)NCC[C@@H](O)c1ccsc1)c1ccccc1 217528179 IHJOBUPLNDBMBP-HZPDHXFCSA-N 303.427 3.482 70 40 DGIB O=S(=O)(O[C@H](c1ccccc1)C(F)(F)F)C(F)(F)F 100628345 GQHFCGULTKNUQX-SSDOTTSWSA-N 308.199 3.156 70 40 DGIB CCCN(C[C@H]1CCCCO1)C(=O)Nc1cnn(C(C)(C)C)c1 161289607 BPVVWZXSWNTPOZ-OAHLLOKOSA-N 322.453 3.451 70 40 DGIB O=S(=O)(Cl)c1cccc(Cl)c1CBr 103625643 ALOIUFCCYIMOOR-UHFFFAOYSA-N 303.992 3.162 70 40 DGIB Cc1cc(NC(=O)Oc2ccccc2)ccc1S(=O)(=O)F 104107761 FSBOFAUYGBDMLU-UHFFFAOYSA-N 309.318 3.264 70 40 DGIB COCCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(C)c2)c1 216678212 MOWDEWWOZVWNSC-QGZVFWFLSA-N 316.426 3.006 70 40 DGIB FC(F)(F)c1cccc(Cn2cc([C@@H]3OCCS3)nn2)c1 216750865 QYXFJMQVGJUOEW-GFCCVEGCSA-N 315.320 3.107 70 40 DGIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc2ccccc2[nH]1 218198028 OYZZDZMXGXBYRH-UHFFFAOYSA-N 324.384 3.043 70 40 DGIB Cc1ccccc1OCC(=O)n1c(C)c(C(N)=O)c2ccccc21 216724003 VODPZHWIPVCGAP-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB O=C(Nc1cnn(CC2CCOCC2)c1)Nc1cccs1 218235083 LUWMYUWNJCYNRN-UHFFFAOYSA-N 306.391 3.015 70 40 DGIB Cc1ccccc1-c1nnc([C@H]2CCCN(C(=O)C3CC3)C2)o1 216662552 IMCKSXCYBPCOOS-AWEZNQCLSA-N 311.385 3.161 70 40 DGIB Cc1ccn(-c2ccc(S(=O)(=O)Cl)c(C(F)(F)F)c2)n1 103695548 OAQXCCJBMTVXGM-UHFFFAOYSA-N 324.711 3.127 70 40 DGIB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(C)C2)cc1 216915248 YBHKADYFCXOVGR-SJLPKXTDSA-N 318.461 3.240 70 40 DGIB O=C(c1ccc(-c2ccsc2)cc1)N1CCc2ncncc2C1 217626736 JXXQOQGULQINOM-UHFFFAOYSA-N 321.405 3.404 70 40 DGIB COc1ccccc1/C=C/C(=O)NCCCN(C)c1ccccc1 217970223 JWCFKQMIPKXEJP-BUHFOSPRSA-N 324.424 3.351 70 40 DGIB C[C@](O)(CNC(=O)c1ccco1)c1cc2ccccc2s1 217497686 VMNAGFDNVPQMNO-INIZCTEOSA-N 301.367 3.132 70 40 DGIB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(C)C1)CC(C)(C)O2 216918290 VHHKZSUKNVZFCU-GDBMZVCRSA-N 316.445 3.055 70 40 DGIB Cc1cccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)c1 216724073 DZICQXNYSVPIDD-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB O=C(Nc1cnn(CC2CCOCC2)c1)c1c[nH]c2ccccc12 218218720 IMPFOSUTOBOPPT-UHFFFAOYSA-N 324.384 3.043 70 40 DGIB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCCN(C)C2)cc1 216915273 YBHKADYFCXOVGR-AEFFLSMTSA-N 318.461 3.240 70 40 DGIB O=S(=O)(Oc1cccc(C(F)(F)F)c1F)C(F)(F)F 222097745 ZCKPFZQWXRSCDQ-UHFFFAOYSA-N 312.162 3.073 70 40 DGIB O=C(Nc1ccccc1Cl)N[C@@H]1CCN(c2ccccn2)C1 159750227 UMRTXWAWYBCGLZ-GFCCVEGCSA-N 316.792 3.135 70 40 DGIB CCOc1ccc(CCCNC(=O)COc2ccccc2)cc1 217822196 DIIKLKGWKBIAGW-UHFFFAOYSA-N 313.397 3.213 70 40 DGIB Cc1ccc2cccc(NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)c2n1 159777745 WOSAGTQDLDNLAL-GFCCVEGCSA-N 323.400 3.327 70 40 DGIB CC(C)C(=O)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1 216661636 ZLRBKPZQLYASBY-CYBMUJFWSA-N 317.364 3.238 70 40 DGIB C[C@@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 217983693 LLRCPNMHLACHGO-GFOMBABLSA-N 311.337 3.063 70 40 DGIB O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCCCCC1 160776360 JKLNJWIWMPGNDF-DLBZAZTESA-N 302.418 3.492 70 40 DGIB C[C@@H](CNC(=O)[C@@H]1CCCN(C)C1)Cc1cccc2ccccc12 216917362 MBZUSGALRWJQQZ-VQIMIIECSA-N 324.468 3.476 70 40 DGIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N(C)C)c1 217644501 ACQJHYVJSOIMLU-XYPWUTKMSA-N 304.459 3.251 70 40 DGIB O=C(NCC[C@@H](O)c1ccsc1)c1nc2ccccc2s1 217529933 YWWRLINLMMQGGR-GFCCVEGCSA-N 318.423 3.211 70 40 DGIB CON(Cc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)cc1 161129958 ACLSFZTVRSHYFX-QFIPXVFZSA-N 318.398 3.020 70 40 DGIB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C)cc1 217826807 WAMQRLVREKCOMU-MRXNPFEDSA-N 313.397 3.266 70 40 DGIB Nn1c(SCc2ccc3ccccc3c2)nnc1C(F)F 216926805 BHNKRZUCXQSQKR-UHFFFAOYSA-N 306.341 3.375 70 40 DGIB O=S(=O)(Oc1ccc(C(F)(F)F)c(F)c1)C(F)(F)F 245482325 JSBHLEBVSYANES-UHFFFAOYSA-N 312.162 3.073 70 40 DGIB CC[C@H](C)OCc1nn([C@H](C)CC)cc1S(=O)(=O)Cl 408715477 ROCZZFWSOQNGHH-ZJUUUORDSA-N 308.831 3.097 70 40 DGIB Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccccc1 217873178 ZGEKQFHGOVMYKL-UHFFFAOYSA-N 311.410 3.350 70 40 DGIB O=S(=O)(c1ccccc1C(F)(F)F)N1[C@H]2C=CC[C@H]1CC2 218763792 AQQVQTDONQHXPR-QWRGUYRKSA-N 317.332 3.187 70 40 DGIB Cc1ccc(OCCCC(=O)NCCC2CCN(C)CC2)cc1 216946600 UBKPGKLJWOGEBV-UHFFFAOYSA-N 318.461 3.002 70 40 DGIB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN(C)C1 216917813 GVQYIVHOEXLIRK-HZPDHXFCSA-N 302.462 3.201 70 40 DGIB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCC1CCN(C)CC1 217034537 RYSLHDAFHDMMHM-GOSISDBHSA-N 318.461 3.001 70 40 DGIB Nn1c(SCc2cccc3ccccc23)nnc1C(F)F 216903039 JKGLVSXPLGWAMX-UHFFFAOYSA-N 306.341 3.375 70 40 DGIB O=S(=O)(Cl)c1ccc(-c2noc(C3CCCCC3)n2)o1 100004424 YCCIIXPNGVOITJ-UHFFFAOYSA-N 316.766 3.305 70 40 DGIB COc1ccc2[nH]c(C)c(CNc3ccccc3OC)c(=O)c2c1 217427173 DUKVGEJFJGMUFJ-UHFFFAOYSA-N 324.380 3.466 70 40 DGIB O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCCCCC1 160776111 JKLNJWIWMPGNDF-IAGOWNOFSA-N 302.418 3.492 70 40 DGIB CC[C@H](C)OCc1nn([C@@H](C)CC)cc1S(=O)(=O)Cl 408715475 ROCZZFWSOQNGHH-UWVGGRQHSA-N 308.831 3.097 70 40 DGIB O=S(=O)(Cl)c1cccc(COc2ccccc2F)c1 103603325 GZMAWKDUCHXAQL-UHFFFAOYSA-N 300.738 3.332 70 40 DGIB CCOC(=O)c1c(C)n(CCOC)c2ccc(OCC)cc12 217760434 QEEATGQGILRDPE-UHFFFAOYSA-N 305.374 3.172 70 40 DGIB Cc1ccccc1NC(=O)Nc1cnn(CC2CCOCC2)c1 218237341 NGDJDTVRLRLHCM-UHFFFAOYSA-N 314.389 3.262 70 40 DGIB CCN1C(=O)CS[C@H]1c1ccn(-c2cccc(OC)c2)c1 216707871 IIHFKDCNEQZJBJ-INIZCTEOSA-N 302.399 3.080 70 40 DGIB Cc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3)nn2)c1 216758661 IMPHTPVQGGXUBJ-IBGZPJMESA-N 320.396 3.170 70 40 DGIB O=S(=O)(Cl)c1cc(Cl)ccc1OCC(F)(F)F 78494976 ZAVNJIJCQJJTGX-UHFFFAOYSA-N 309.092 3.209 70 40 DGIB CC(=O)Nc1ccc(N[C@@H](C)CCn2cccn2)c(Cl)c1 159488601 FOSCBMKZVYXDSX-NSHDSACASA-N 306.797 3.386 70 40 DGIB CCCC(=O)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1 216642865 FJVUHAUSKGFRKL-CYBMUJFWSA-N 317.364 3.382 70 40 DGIB C[C@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2s1 217506922 DSPMTWOUYXQNDR-INIZCTEOSA-N 301.367 3.132 70 40 DGIB CC(C)C(=O)N1CCC(c2nnc(-c3ccccc3F)o2)CC1 216639609 RKQNVDDZHKGURK-UHFFFAOYSA-N 317.364 3.238 70 40 DGIB CC[C@H](C(=O)NCC[C@@H](O)c1ccsc1)c1ccccc1 217528100 IHJOBUPLNDBMBP-JKSUJKDBSA-N 303.427 3.482 70 40 DGIB O=C(c1cc(-c2ccc(Cl)cc2)n2c1NCC2)N1CCCC1 217692996 UQHXBZCWCDKRJC-UHFFFAOYSA-N 315.804 3.470 70 40 DGIB Fc1ccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)cc1 216755727 RZHSHIVJMVZEOC-GOSISDBHSA-N 324.359 3.001 70 40 DGIB O=S(=O)(Cl)c1ccc(Oc2ccc3c(c2)OCO3)cc1 100598793 DLARRDPMXHDRPD-UHFFFAOYSA-N 312.730 3.135 70 40 DGIB CC(C)COCc1c(S(=O)(=O)Cl)cnn1C1CCCC1 408715930 GWRQZKUBAOKPNV-UHFFFAOYSA-N 320.842 3.098 70 40 DGIB COC(=O)c1ccc(OC)c(-c2cc3ccccc3oc2=O)c1 216936848 WACQYMJXFGOXMZ-UHFFFAOYSA-N 310.305 3.255 70 40 DGIB O=C(Nc1ccccc1Cl)N[C@H]1CCN(c2ccccn2)C1 159750346 UMRTXWAWYBCGLZ-LBPRGKRZSA-N 316.792 3.135 70 40 DGIB COc1cc(-c2nnc(N)o2)ccc1OCc1ccc(C)cc1 216808506 UDJIDQRMXMBLPY-UHFFFAOYSA-N 311.341 3.215 70 40 DGIB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 218699241 LKGHVAJHPDSZCX-AWEZNQCLSA-N 317.360 3.097 70 40 DGIB CC(C)c1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1 216846285 KIUPAPBMOQKSMD-UHFFFAOYSA-N 311.433 3.095 70 40 DGIB COC(=O)c1c(C)n(C(=O)c2ccc(OC)cc2)c2ccccc12 216957575 VQDQPHNNURCIGQ-UHFFFAOYSA-N 323.348 3.433 70 40 DGIB O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCCCCC1 160775976 JKLNJWIWMPGNDF-SJORKVTESA-N 302.418 3.492 70 40 DGIB Cc1ccc(CC(=O)NCCOc2ccccc2Cl)cc1 159474367 CEZMTLALPCGABK-UHFFFAOYSA-N 303.789 3.386 70 40 DGIB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C4CC4)C3)o2)cc1 216662839 YBYLEIJTPSKEAO-OAHLLOKOSA-N 311.385 3.161 70 40 DGIB CCc1ccc(-c2ccc(Cl)nn2)cc1S(=O)(=O)Cl 59211898 JCXSLIFOYWDJOI-UHFFFAOYSA-N 317.197 3.287 70 40 DGIB CCOc1ccc(CCCNC(=O)c2ccccc2OC)cc1 218168030 SVPNVYJIYOSZBF-UHFFFAOYSA-N 313.397 3.457 70 40 DGIB COc1ccc(C(=O)NCCOc2ccccc2Cl)cc1 159379136 DMUSOKBGUWUQDD-UHFFFAOYSA-N 305.761 3.157 70 40 DGIB Cc1ccc(CSCCCNC(=O)[C@@H]2CCCN(C)C2)cc1 216916776 PKPGYMQFKBCQTL-QGZVFWFLSA-N 320.502 3.076 70 40 DGIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccccc2)cc1 217883030 YTADNPXJCLXVJD-NRUITVPNSA-N 311.381 3.292 70 40 DGIB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccn2nccc2c1 217961723 VJIXJLLQKJWKCD-UHFFFAOYSA-N 321.789 3.097 70 40 DGIB Cc1ccc(NC(=O)Oc2ccccc2)cc1S(=O)(=O)F 104122689 GDXOYSNDWFUFNC-UHFFFAOYSA-N 309.318 3.264 70 40 DGIB c1cc(-c2ccnn2Cc2noc(C3CCCCC3)n2)ccn1 160833948 ZBGKCNGJQRKFLC-UHFFFAOYSA-N 309.373 3.424 70 40 DGIB COc1cc(N)c(CC(=O)Nc2ccc(C)c(C)c2)cc1OC 217672884 ADTKBAYFLYJLMQ-UHFFFAOYSA-N 314.385 3.084 70 40 DGIB COc1cccc2sc(-n3ncc4ccccc4c3=O)nc12 216890448 JDMCBEUCYPKOEF-UHFFFAOYSA-N 309.350 3.004 70 40 DGIB CC[C@@H](C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1 217528018 IHJOBUPLNDBMBP-CVEARBPZSA-N 303.427 3.482 70 40 DGIB O=C([C@H]1CC=CCC1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217657964 JPNHCSPTZHIAPW-DLBZAZTESA-N 322.412 3.075 70 40 DGIB CCCC(=O)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1 216642906 FJVUHAUSKGFRKL-ZDUSSCGKSA-N 317.364 3.382 70 40 DGIB Cc1ccccc1-c1nnc([C@H]2CCCN(C(=O)C(C)C)C2)o1 216662336 SYBJQZLZUURALI-AWEZNQCLSA-N 313.401 3.407 70 40 DGIB CC[C@H](C(=O)NCCSC1CCOCC1)c1ccccc1 217700246 GXAKXNWNGUGKKQ-INIZCTEOSA-N 307.459 3.209 70 40 DGIB O=C(NC[C@H]1CCCN(c2nccs2)C1)Nc1cccs1 218168622 RKIHUYXLGUCLIU-LLVKDONJSA-N 322.459 3.243 70 40 DGIB CCOc1ccc(-n2ccc([C@H]3SCC(=O)N3C)c2)cc1 216705845 XBDVANSGJOQUIK-MRXNPFEDSA-N 302.399 3.080 70 40 DGIB O=C(NCC[C@H](O)c1ccsc1)c1c(F)cccc1Cl 217529289 DXBGOWOOMKTIQC-LBPRGKRZSA-N 313.781 3.394 70 40 DGIB O=C(CSCc1ccccc1)NCC[C@H](O)c1ccsc1 217530629 RKIVNMXLDDYKRQ-HNNXBMFYSA-N 321.467 3.221 70 40 DGIB C[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(F)cc1 218698372 SLNSESDCESVHTH-ZDUSSCGKSA-N 319.351 3.481 70 40 DGIB COc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)c(OC)c1 100069304 YJJOAPYUIYZNQC-UHFFFAOYSA-N 312.774 3.298 70 40 DGIB CCOc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cc1OCC 218735264 SFGNQSCLGFRKRI-GJZGRUSLSA-N 301.386 3.417 70 40 DGIB CC(C)C(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1 216661999 QYRVXGHSRXZWPI-LBPRGKRZSA-N 317.364 3.238 70 40 DGIB Cc1ccc(C)c(OCC(=O)n2cc(C(N)=O)c3ccccc32)c1 218737222 QRMKNJHBGHBQQA-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB Cc1cc(S(=O)(=O)F)cc(Cl)c1SC(=O)N(C)C 104162157 BBARBSDHOQVKDI-UHFFFAOYSA-N 311.787 3.080 70 40 DGIB COc1ccc(-c2nnc(N)o2)cc1OCc1ccccc1F 216802730 GEFXCMVKPJFRKC-UHFFFAOYSA-N 315.304 3.046 70 40 DGIB CC(C)Oc1cccc(C(=O)n2cc(C(N)=O)c3ccccc32)c1 216956910 BUXJHTFFFODTLQ-UHFFFAOYSA-N 322.364 3.216 70 40 DGIB COc1cc(N)c(CC(=O)Nc2ccccc2Cl)cc1OC 217672339 SUAQJKIXKPZMEQ-UHFFFAOYSA-N 320.776 3.121 70 40 DGIB Cc1cc(OC(F)(F)F)c(Cl)cc1S(=O)(=O)Cl 103625616 DGJYYWCBRHWJEO-UHFFFAOYSA-N 309.092 3.475 70 40 DGIB Cc1csc(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)c1 218114386 WXXWZJZTXIQYRB-LBPRGKRZSA-N 321.471 3.159 70 40 DGIB COc1ccc2[nH]cc(C3CCN(CCn4ccnc4)CC3)c2c1 159774623 MTDQLEDNLILNJU-UHFFFAOYSA-N 324.428 3.253 70 40 DGIB COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(C)C2)cc1 216915327 YBHKADYFCXOVGR-WMZOPIPTSA-N 318.461 3.240 70 40 DGIB COc1ccc(-c2nnc(N)o2)cc1OCc1ccc(C)cc1 216802508 ZWMSUILJNVPWRM-UHFFFAOYSA-N 311.341 3.215 70 40 DGIB COc1ccc(COc2cccc(S(=O)(=O)Cl)c2)cc1 103603512 ARAXUZLETDQUCU-UHFFFAOYSA-N 312.774 3.202 70 40 DGIB O=C(c1ccccc1)c1cc(S(=O)(=O)Cl)ccc1Cl 97972225 HLEPRYPPPZAVIB-UHFFFAOYSA-N 315.177 3.499 70 40 DGIB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(F)cc1 218698302 SLNSESDCESVHTH-CYBMUJFWSA-N 319.351 3.481 70 40 DGIB CCc1ccc(CCC(=O)NCCC2CCN(C)CC2)cc1 217031352 JMIITUWLWSFUEY-UHFFFAOYSA-N 302.462 3.030 70 40 DGIB CCCc1ccc(S(=O)(=O)Nc2ccn3nccc3c2)cc1 217961925 PXQKXIMKIFRXCH-UHFFFAOYSA-N 315.398 3.088 70 40 DGIB CC[C@H](C)n1cc(S(=O)(=O)Cl)c(CO[C@H](C)CC)n1 408715476 ROCZZFWSOQNGHH-VHSXEESVSA-N 308.831 3.097 70 40 DGIB Cn1ccc(NC(=O)Nc2cccc(Oc3ccncc3)c2)n1 160314374 MVKPZVIUKPLPHK-UHFFFAOYSA-N 309.329 3.251 70 40 DGIB COc1cc(-c2nnc(N)o2)ccc1OCc1ccccc1F 216808621 FXXZSHQUKZYXHN-UHFFFAOYSA-N 315.304 3.046 70 40 DGIB O=S(=O)(O[C@@H](c1ccccc1)C(F)(F)F)C(F)(F)F 100628344 GQHFCGULTKNUQX-ZETCQYMHSA-N 308.199 3.156 70 40 DGIB COc1ccc(Cl)cc1C(=O)Nc1ccn2nccc2c1 217953736 BYYMEFQVWBQTLG-UHFFFAOYSA-N 301.733 3.249 70 40 DGIB CCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2OC)c1 216708266 AOIORMRKBGDPKK-MRXNPFEDSA-N 302.399 3.080 70 40 DGIB COc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2)cc1 217935481 GOIUZOWIRQHZBK-ZDUSSCGKSA-N 316.426 3.449 70 40 DGIB CC(C)C(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12 110167094 WOFAKWXHSMUZAN-UHFFFAOYSA-N 311.790 3.362 70 40 DGIB CCOc1cccc2sc(-n3ncc4ccccc4c3=O)nc12 216890512 LYGJDDCEXLXZEC-UHFFFAOYSA-N 323.377 3.394 70 40 DGIB Fc1ccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)cc1 216755680 RZHSHIVJMVZEOC-SFHVURJKSA-N 324.359 3.001 70 40 DGIB CCCOc1ccc(S(=O)(=O)Cl)c(Br)c1 59108139 ZKULZZULWNNLIP-UHFFFAOYSA-N 313.600 3.165 70 40 DGIB Cc1cccc(CSCCNC(=O)CC2CCN(C)CC2)c1 216893640 ROWJZUVKLWQEAT-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB O=C(c1ccsc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217654061 HMTVYWCNGQKYCJ-OAHLLOKOSA-N 324.409 3.094 70 40 DGIB COc1cccc(C(=O)NCCOc2ccccc2Cl)c1 159470912 XBLUSCOWCBJLIN-UHFFFAOYSA-N 305.761 3.157 70 40 DGIB Cc1ccc(CSCC(=O)NCCC2CCN(C)CC2)cc1 216928484 KAXSRSDJCVSGKX-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB CCc1cc(S(=O)(=O)Cl)ccc1OCC(F)(F)F 103635810 UNYDKYXJUCHRJC-UHFFFAOYSA-N 302.701 3.118 70 40 DGIB CN1CCC(CCNC(=O)/C=C/c2ccccc2Cl)CC1 216926510 BKPQSINQMYDJPZ-VOTSOKGWSA-N 306.837 3.201 70 40 DGIB COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(C)cc2)c1 216678330 UABXHYPBNXDFKM-QGZVFWFLSA-N 316.426 3.006 70 40 DGIB CN1CCC(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 216900788 VYKPWWVHDAILSI-MRXNPFEDSA-N 316.445 3.137 70 40 DGIB Cc1cc(-c2ccncc2)nn1CCNC(=O)Nc1ccccc1 217870485 BYYFDPPRTOQIFH-UHFFFAOYSA-N 321.384 3.075 70 40 DGIB Fc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3)nn2)cc1 216769846 HPDTUCVXBLZPSL-SFHVURJKSA-N 324.359 3.001 70 40 DGIB O=C(NCC[C@@H](O)c1ccsc1)c1ccc(Cl)s1 217527827 YPVODAONTHNREW-SECBINFHSA-N 301.820 3.317 70 40 DGIB CCOc1ccc(NC(=O)NCC[C@H](O)c2ccsc2)cc1 217546275 RUKNWLSSOVWECR-HNNXBMFYSA-N 320.414 3.392 70 40 DGIB O=C(COc1ccccc1)NCCCc1ccccc1Cl 217821378 DOMFJIQOKYBMKZ-UHFFFAOYSA-N 303.789 3.468 70 40 DGIB CCCCCOc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 103694518 NFGFALHEOYZPKP-UHFFFAOYSA-N 307.755 3.091 70 40 DGIB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2)cc1 217935403 GOIUZOWIRQHZBK-CYBMUJFWSA-N 316.426 3.449 70 40 DGIB Cc1cc(S(=O)(=O)F)ccc1NC(=O)Oc1ccccc1 104171027 TXENTZOZAMCDGR-UHFFFAOYSA-N 309.318 3.264 70 40 DGIB CCN1C(=O)CS[C@H]1c1ccn(-c2ccc(OC)cc2)c1 216708414 IMBPDCBZZRZCRN-INIZCTEOSA-N 302.399 3.080 70 40 DGIB CCOc1cccc(-n2ccc([C@H]3SCC(=O)N3C)c2)c1 216706747 LNENRBUSFKQQMH-MRXNPFEDSA-N 302.399 3.080 70 40 DGIB CO[C@@H](CNC(=O)/C=C/c1ccoc1)c1ccccc1Cl 218327911 DZFLGKDSDAFMBY-LFAOLKIESA-N 305.761 3.450 70 40 DGIB Cc1[nH]c2ccccc2c(=O)c1CCC(=O)Nc1ccccc1 217432462 QTSJGWJOFFPWSR-UHFFFAOYSA-N 306.365 3.408 70 40 DGIB CC(C)Oc1ccc(Br)c(S(=O)(=O)Cl)c1 100908482 KQMMKGSUUZCRGX-UHFFFAOYSA-N 313.600 3.164 70 40 DGIB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1 137787935 OGPAJCKMXVJHSK-UHFFFAOYSA-N 313.718 3.315 70 40 DGIB CN1CCC(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 216900823 VYKPWWVHDAILSI-INIZCTEOSA-N 316.445 3.137 70 40 DGIB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(C)C1 216917865 GVQYIVHOEXLIRK-CVEARBPZSA-N 302.462 3.201 70 40 DGIB Cc1ccccc1OCC(=O)NCCCc1ccc(F)cc1 217825449 AJRQNOPUYSEJDH-UHFFFAOYSA-N 301.361 3.262 70 40 DGIB FC(F)(F)c1cccc(Cn2cc([C@H]3OCCS3)nn2)c1 216750908 QYXFJMQVGJUOEW-LBPRGKRZSA-N 315.320 3.107 70 40 DGIB N=C(N)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 217752086 IYZNRZSQHYTZHY-UHFFFAOYSA-N 303.749 3.397 70 40 DGIB CN1CCC(NC(=O)/C(=C/c2ccco2)c2ccccc2)CC1 216929799 QVWVFDQOAKBIMC-NBVRZTHBSA-N 310.397 3.031 70 40 DGIB Cc1[nH]c2ccccc2c(=O)c1CCC(=O)NCc1ccccc1 217431902 OSWNEGSMKSGKQN-UHFFFAOYSA-N 320.392 3.086 70 40 DGIB O=C([C@H]1CC=CCC1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217658052 JPNHCSPTZHIAPW-IRXDYDNUSA-N 322.412 3.075 70 40 DGIB Cc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)cc1 216760489 HPNWWVYDYCTOJA-LJQANCHMSA-N 320.396 3.170 70 40 DGIB CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1[C@H](C)CC 408716330 LPUNHZLCBIZSNT-ZJUUUORDSA-N 308.831 3.097 70 40 DGIB C[C@@](O)(CNC(=O)Cc1ccsc1)c1cc2ccccc2o1 217993624 NCQGGNSAPWYUKE-QGZVFWFLSA-N 315.394 3.061 70 40 DGIB COCCC1(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 159743073 XBLXVESRRONIND-UHFFFAOYSA-N 317.216 3.122 70 40 DGIB Cc1ccccc1CSCCNC(=O)CC1CCN(C)CC1 216894036 XJHOCNFSDROMIQ-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB Cc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)c1 216758618 IMPHTPVQGGXUBJ-LJQANCHMSA-N 320.396 3.170 70 40 DGIB O=S(=O)(c1cccc(C(F)(F)F)c1)N1[C@H]2C=CC[C@H]1CC2 218760259 ZTMCGDCIXWGUAX-RYUDHWBXSA-N 317.332 3.187 70 40 DGIB CCOc1ccc(CCCNC(=O)c2cccc(OC)c2)cc1 217938501 BRVAEOPBQCRBFN-UHFFFAOYSA-N 313.397 3.457 70 40 DGIB CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1[C@@H](C)CC 408716328 LPUNHZLCBIZSNT-UWVGGRQHSA-N 308.831 3.097 70 40 DGIB COc1ccc(OC[C@@H](C)NC(=O)CCc2ccccc2)cc1 218171194 GPHVDPKVCNHGHU-OAHLLOKOSA-N 313.397 3.212 70 40 DGIB CN1CCC(CCNC(=O)CCSCc2ccccc2)CC1 217013836 SMVPESVKALXOEE-UHFFFAOYSA-N 320.502 3.158 70 40 DGIB Cc1ccc(CSCCCNC(=O)[C@H]2CCCN(C)C2)cc1 216916803 PKPGYMQFKBCQTL-KRWDZBQOSA-N 320.502 3.076 70 40 DGIB O=C(O)c1ccc(/C=C/c2cccc(S(=O)(=O)F)c2)cc1 104169043 KGGHKZJYYWQVLU-SNAWJCMRSA-N 306.314 3.213 70 40 DGIB CN1CCC(NC(=O)c2ccccc2OCc2ccccc2)CC1 217013498 ARVKVBFXSIFLKY-UHFFFAOYSA-N 324.424 3.090 70 40 DGIB Cc1cc(S(=O)(=O)Cl)ccc1-n1cc(Cl)c(C)n1 103695154 FDHRGDBGHHRRAP-UHFFFAOYSA-N 305.186 3.070 70 40 DGIB Cc1cccc(CSCCCNC(=O)C2CCN(C)CC2)c1 216923676 SPEMWZOCRRNVII-UHFFFAOYSA-N 320.502 3.076 70 40 DGIB Cc1ccccc1OCC(=O)N[C@H](C)COc1ccccc1C 217826702 LSKBHTXBDOELMJ-MRXNPFEDSA-N 313.397 3.266 70 40 DGIB Cc1ccccc1CSCCCNC(=O)[C@H]1CCCN(C)C1 216916671 YZCCITVQRBTDDJ-INIZCTEOSA-N 320.502 3.076 70 40 DGIB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN(C)C1 216917790 GVQYIVHOEXLIRK-JKSUJKDBSA-N 302.462 3.201 70 40 DGIB C[C@H](CNC(=O)[C@H]1CCCN(C)C1)Cc1cccc2ccccc12 216917441 MBZUSGALRWJQQZ-LPHOPBHVSA-N 324.468 3.476 70 40 DGIB CCCOc1ccc(Br)c(S(=O)(=O)Cl)c1 100908479 FSMMXTPODKIAGK-UHFFFAOYSA-N 313.600 3.165 70 40 DGIB O=C(NCCn1ccc(-c2ccsc2)n1)c1ccsc1 217887172 RXDFJHYHPWONGU-UHFFFAOYSA-N 303.412 3.103 70 40 DGIB CC(=O)Nc1ccc(N[C@H](C)CCn2cccn2)c(Cl)c1 159488721 FOSCBMKZVYXDSX-LLVKDONJSA-N 306.797 3.386 70 40 DGIB Cc1ccc(-c2nnc(C3CCN(C(=O)C(C)C)CC3)o2)cc1 216640016 YRLOIBQMZXEPLL-UHFFFAOYSA-N 313.401 3.407 70 40 DGIB Cc1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)c1 216754989 UALVAUPZGDVIKV-IBGZPJMESA-N 320.396 3.170 70 40 DGIB COc1cccc(C(=O)NCCCN2CCCc3ccccc32)c1 217941070 QCJCOIRUPFOOOF-UHFFFAOYSA-N 324.424 3.268 70 40 DGIB Cc1ccc(OC[C@H](C)NC(=O)COc2ccccc2C)cc1 217826886 WAMQRLVREKCOMU-INIZCTEOSA-N 313.397 3.266 70 40 DGIB COc1ccc(-c2nnc(N)o2)cc1OCc1ccccc1C 216802334 NACURVMFOCCXHU-UHFFFAOYSA-N 311.341 3.215 70 40 DGIB CN1CCC(CC(=O)NCCCSc2ccccc2)CC1 216902978 LVRLLHNAWJJKMO-UHFFFAOYSA-N 306.475 3.017 70 40 DGIB Fc1c(F)c(F)c([Si](Cl)(Cl)Cl)c(F)c1F 169806250 QUJHWGZPSFBJAP-UHFFFAOYSA-N 301.501 3.244 70 40 DGIB CSc1ccccc1C(=O)NCC[C@@H](O)c1ccsc1 217528790 LDIJBZIVRFSKSJ-CYBMUJFWSA-N 307.440 3.324 70 40 DGIB O=S(=O)(Cl)c1c(OCC(F)F)cccc1C(F)(F)F 59714591 DTNQLYAGRKNWMQ-UHFFFAOYSA-N 324.654 3.277 70 40 DGIB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2 216924389 XAGHBHCOEILLCN-INIZCTEOSA-N 316.445 3.055 70 40 DGIB O=C(NCC[C@H](O)c1ccsc1)c1nc2ccccc2s1 217529845 YWWRLINLMMQGGR-LBPRGKRZSA-N 318.423 3.211 70 40 DGIB Cc1ccc2cccc(NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)c2n1 159777602 WOSAGTQDLDNLAL-LBPRGKRZSA-N 323.400 3.327 70 40 DGIB CC[C@H](C)OCc1nn(C2CCCC2)cc1S(=O)(=O)Cl 408715296 HHSUDEPOCVPISP-JTQLQIEISA-N 320.842 3.241 70 40 DGIB CCOc1cccc(-n2ccc([C@H]3SCC(=O)N3CC)c2)c1 216709429 JTZJKBQIMXFJJS-QGZVFWFLSA-N 316.426 3.470 70 40 DGIB O=C([C@@H]1CC=CCC1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217658128 JPNHCSPTZHIAPW-IAGOWNOFSA-N 322.412 3.075 70 40 DGIB C[C@@](O)(CNC(=O)c1ccsc1)c1cc2ccccc2o1 217983488 PNHCDBTUIDJTOJ-MRXNPFEDSA-N 301.367 3.132 70 40 DGIB O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1OCC1CCCC1 103695063 VEZSHTZQWVZLOP-UHFFFAOYSA-N 319.766 3.091 70 40 DGIB O=C(Cc1ccccc1F)NCCOc1ccccc1Cl 159441943 ZZELYMUMDHEANX-UHFFFAOYSA-N 307.752 3.217 70 40 DGIB CCOc1ccccc1-n1ccc([C@H]2SCC(=O)N2CC)c1 216709331 PVTCSZQKQKFEJR-QGZVFWFLSA-N 316.426 3.470 70 40 DGIB C[C@@](O)(CNC(=O)c1ccco1)c1cc2ccccc2s1 217497595 VMNAGFDNVPQMNO-MRXNPFEDSA-N 301.367 3.132 70 40 DGIB CCc1ccc(OCC(=O)n2cc(C(N)=O)c3ccccc32)cc1 216724706 FTDAWWQLNAOJRQ-UHFFFAOYSA-N 322.364 3.022 70 40 DGIB O=S(=O)(Oc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F 245482297 FNMIXCZODCZLPB-UHFFFAOYSA-N 312.162 3.073 70 40 DGIB C[C@@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2o1 217994766 MNMLKBVXVKWGAH-IPLHWJFFSA-N 311.337 3.063 70 40 DGIB CN1CCN(c2cc(Nc3cccc4ccccc34)ncn2)CC1 216846327 FSZFSUJFDWPHAQ-UHFFFAOYSA-N 319.412 3.125 70 40 DGIB CCCN(CCC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1 95698154 ZBLMDCHHOSQSGC-UHFFFAOYSA-N 318.826 3.268 70 40 DGIB Fc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)cc1 216769800 HPDTUCVXBLZPSL-GOSISDBHSA-N 324.359 3.001 70 40 DGIB COc1c(Br)cc(Cl)cc1S(=O)(=O)Cl 100549775 WFEMSAFZOIOVAI-UHFFFAOYSA-N 319.991 3.039 70 40 DGIB O=C(OCc1ccccc1)c1cccc(CS(=O)(=O)Cl)c1 200431604 MZZHUFMQLOYHFW-UHFFFAOYSA-N 324.785 3.112 70 40 DGIB CO[C@H](CNC(=O)/C=C/c1ccoc1)c1ccccc1Cl 218327973 DZFLGKDSDAFMBY-LQYUOIDQSA-N 305.761 3.450 70 40 DGIB Cc1ccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1 216724285 RSGQPUDCGCESTG-UHFFFAOYSA-N 322.364 3.076 70 40 DGIB CCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3C)c2)c1 216706702 LNENRBUSFKQQMH-INIZCTEOSA-N 302.399 3.080 70 40 DGIB Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)C4CC4)C3)o2)cc1 216662878 YBYLEIJTPSKEAO-HNNXBMFYSA-N 311.385 3.161 70 40 DGIB O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@H]1CCOC1 218566384 ZJIHNWOJVSIDIC-NSHDSACASA-N 313.382 3.038 70 40 DGIB COc1cc(N)c(CC(=O)Nc2cccc(Cl)c2)cc1OC 217672228 WYXYLKRBUKUKSA-UHFFFAOYSA-N 320.776 3.121 70 40 DGIB CN1CCC(CC(=O)NCCCc2ccc(Cl)cc2)CC1 216898770 JIXCAPDDHOGSNC-UHFFFAOYSA-N 308.853 3.121 70 40 DGIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(C)C1 216918408 VBVAZWQXZUSKGA-GDBMZVCRSA-N 316.445 3.055 70 40 DGIB COc1ccc(CCCNC(=O)COc2ccccc2C)cc1 217825659 WCJYZWBRZDQZDK-UHFFFAOYSA-N 313.397 3.131 70 40 DGIB COC(=O)c1cn(C(=O)c2cccc(OC)c2)c2ccccc12 216956246 CTZNVGJPGLGCSR-UHFFFAOYSA-N 309.321 3.125 70 40 DGIB O=S(=O)(Cl)c1ccc(OCc2cnc(Cl)s2)cc1 100921381 OIZXQBONLHTKDY-UHFFFAOYSA-N 324.210 3.303 70 40 DGIB CCOc1nc(C)c(NC(=O)CCCc2ccccc2)c(C)n1 217585943 QDTUBAMSSGWPPE-UHFFFAOYSA-N 313.401 3.454 70 40 DGIB O=S(=O)(Cl)c1ccc(COc2cccc(F)c2)cc1 103704205 QFSIXRNURUWLRS-UHFFFAOYSA-N 300.738 3.332 70 40 DGIB Cc1cc(C(=O)NCCn2ccc(-c3ccsc3)n2)c(C)o1 217886156 UAYVSHRXHCJXQG-UHFFFAOYSA-N 315.398 3.251 70 40 DGIB COc1cccc(Cl)c1CC(=O)NCc1nc(C)sc1C 160814489 LEZDJIAMGFEPIE-UHFFFAOYSA-N 324.833 3.281 70 40 DGIB Cc1ccc(CCC(=O)NCc2nc(-c3ccccc3)no2)cc1 218536740 UQLRIDRHDGKCGY-UHFFFAOYSA-N 321.380 3.294 70 40 DGIB O=S(=O)(Cl)c1cccc(COc2ccc(F)cc2)c1 103603331 XFLFHRJTMAKSET-UHFFFAOYSA-N 300.738 3.332 70 40 DGIB O=C(CSCc1ccccc1)NCC[C@@H](O)c1ccsc1 217530700 RKIVNMXLDDYKRQ-OAHLLOKOSA-N 321.467 3.221 70 40 DGIB CN1CCC(C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 216922456 OLGRKKSZANLGJD-UHFFFAOYSA-N 322.408 3.198 70 40 DGIB CC[C@@H](C)OCc1nn(C2CCCC2)cc1S(=O)(=O)Cl 408715297 HHSUDEPOCVPISP-SNVBAGLBSA-N 320.842 3.241 70 40 DGIB COc1ccccc1CCCNC(=O)COc1ccccc1C 217825555 LVBRKCPOTSUWGT-UHFFFAOYSA-N 313.397 3.131 70 40 DGIB CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccccc1 216823201 SDBVPUZZZLOECP-UHFFFAOYSA-N 311.341 3.297 70 40 DGIB O=C(/C=C/c1ccccc1)NCCn1ccc(-c2ccsc2)n1 217884889 BLJXYADJWDYCRA-VOTSOKGWSA-N 323.421 3.441 70 40 DGIB CC(C)Oc1ccc(S(=O)(=O)Cl)c(Br)c1 59106953 QULWLYHIWMBIEL-UHFFFAOYSA-N 313.600 3.164 70 40 DGIB Fc1ccccc1Cn1cc([C@H]2OCCN2c2ccccc2)nn1 216755608 GZMBBOCNQVBBNM-GOSISDBHSA-N 324.359 3.001 70 40 DGIB CCOc1ccccc1-n1ccc([C@@H]2SCC(=O)N2CC)c1 216709281 PVTCSZQKQKFEJR-KRWDZBQOSA-N 316.426 3.470 70 40 DGIB Cc1ccc(SCC(=O)NCCN(C)c2ccccc2)cc1 217976201 NDBADMCIHPYYNQ-UHFFFAOYSA-N 314.454 3.340 70 40 DGIB COc1ccc2nc(-n3ncc4ccccc4c3=O)sc2c1 216735951 KXCRPBKQSBRLBB-UHFFFAOYSA-N 309.350 3.004 70 40 DGIB COc1ccc(C(=O)NCCOc2ccccc2Cl)cc1F 159508950 NLGBVHGKXPZVTK-UHFFFAOYSA-N 323.751 3.297 70 40 DGIB c1cn(Cc2ccc(NC3CCC4(CC3)OCCO4)cc2)cn1 161128691 FVIVBACUAKDUSX-UHFFFAOYSA-N 313.401 3.029 70 40 DGIB O=S(=O)(F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 100511322 BVIPYNYIEJWZQD-UHFFFAOYSA-N 304.302 3.062 70 40 DGIB