smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(N=O)C(=O)N[C@H]1[C@H](CO)O[C@@H]2OC(C)(C)O[C@H]12 5124761 RTJHWSOESQFUKS-RULNZFCNSA-N 275.261 -0.454 50 40 CBGB NNC(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408925967 VPGWHRCXIRTTSN-UHFFFAOYSA-N 283.247 -0.119 50 40 CBGB CC(C)C(=O)NNC(=O)CNC(=O)COc1ccccc1 9884946 BZMLFYOZAKCJTO-UHFFFAOYSA-N 293.323 -0.015 50 40 CBGB COc1ccccc1/C=N/NC(=O)c1c[nH]c(=O)[nH]c1=O 28190 AWNYTQHARMSBOY-GIDUJCDVSA-N 288.263 -0.164 50 40 CBGB Cn1ccnc1P(c1nccn1C)c1nccn1C 100498195 QGAOVWPMWXPLPD-UHFFFAOYSA-N 274.268 -0.355 50 40 CBGB Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2CC(=O)NN 332412 MSPSLMAHAXIQFD-UHFFFAOYSA-N 291.307 -0.079 50 40 CBGB Cc1cn2c(nc1=O)O[C@H]1[C@@H]2O[C@H](CCl)[C@@H]1O 1607885 KNFWWEWYLXKFOP-AYHNYZOXSA-N 258.661 -0.190 50 40 CBGB COCC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2064426 KIHMYYMGUAHKNC-UHFFFAOYSA-N 289.269 -0.449 50 40 CBGB CCOC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N1 1708698 JXIJTMGDLYLWMF-RITPCOANSA-N 250.345 -0.243 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@H]3C/C(=N\NC(N)=O)[C@@H]4[C@H]3C[C@H]2[C@@H]14 195528779 VGAPAJONVCYASD-LNBJZATBSA-N 290.327 -0.043 50 40 CBGB NNC(=O)C/C(N)=N\Nc1ccccc1[N+](=O)[O-] 16450232 KELFSQRUTYNIKM-UHFFFAOYSA-N 252.234 -0.341 50 40 CBGB CCC1(CC)C(=O)N=C(NNC(=O)C(F)(F)F)NC1=O 17045992 RHDOOZKNQWYBLC-UHFFFAOYSA-N 294.233 -0.012 50 40 CBGB NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 94986149 BNCMOJYSYZSPLU-SSDOTTSWSA-N 263.253 -0.242 50 40 CBGB O=C(Cc1nnc(O)[nH]c1=O)N/N=C/c1ccc(F)cc1 55832 CXSUDFGBVRKWQQ-MKMNVTDBSA-N 291.242 -0.298 50 40 CBGB Cc1ccc(C(=O)NNc2nnc(C)c(=O)n2N)cc1 32611737 ATEBMEJBMWDTKS-UHFFFAOYSA-N 274.284 -0.274 50 40 CBGB O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)c1ccccc1 33023920 RSBGSAXWRWJMRJ-VIFPVBQESA-N 290.279 -0.564 50 40 CBGB O=C(CN1CCOCC1)N/N=C1/C(=O)Nc2ccccc21 20248649 ICVSQOAVSDASTE-UHFFFAOYSA-N 288.307 -0.209 50 40 CBGB N#CCC(=O)NNCn1nnc2cc([N+](=O)[O-])ccc21 3175359 BHQAMLLXBHSALS-UHFFFAOYSA-N 275.228 -0.169 50 40 CBGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cccn1C 9515829 CVUYCJXDEJKBQR-UHFFFAOYSA-N 297.340 -0.012 50 40 CBGB CC[C@H](NC(=O)c1ccccc1C(=O)NN)C(=O)C=[N+]=[N-] 4863120 SRIQXUBAMLIFBT-JTQLQIEISA-N 289.295 -0.332 50 40 CBGB COc1ccc([C@H]2C(C#N)=C(N)NC(=O)[C@H]2C(N)=O)cc1 1578349 SHIIORLXEPYDLV-WDEREUQCSA-N 286.291 -0.296 50 40 CBGB NNC(=O)c1cn(C[C@H](O)c2cccs2)nn1 98211079 JWPPPRFBYXUWAR-ZETCQYMHSA-N 253.287 -0.323 50 40 CBGB NC(=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1 1568379 HGEIWCMZAMVQPL-UHFFFAOYSA-N 256.649 -0.022 50 40 CBGB CC(=O)NNC(=O)CSc1nnnn1C(C)C 1357613 GHLVOQBCKHUJKA-UHFFFAOYSA-N 258.307 -0.487 50 40 CBGB Cc1cn([C@@H]2C[C@H](Cl)[C@@H](CO)O2)c(=O)[nH]c1=O 28259665 KQVJDKGDGLWBQT-RNJXMRFFSA-N 260.677 -0.268 50 40 CBGB CCCCCC[C@H](O)C[C@@H](CC(=O)NN)C(=O)NN 2273669 IPDVVUTUAVQUES-UWVGGRQHSA-N 274.365 -0.306 50 40 CBGB CC(=O)NNC(=S)N/C=C1\C(=O)C=C(C)OC1=O 104300901 XSHOSPRUYZXNNF-QPJJXVBHSA-N 269.282 -0.585 50 40 CBGB O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)NCCO 4672894 VQUGDFUEHKMMDB-UHFFFAOYSA-N 299.714 -0.862 50 40 CBGB C/C(=N\NC(=O)Cn1nnc(N)n1)c1ccccc1 4879771 PKUNYWQRMHSSSB-MDWZMJQESA-N 259.273 -0.204 50 40 CBGB O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@@H]2[C@@H]2[C@H]3C(=O)OC(=O)[C@H]3[C@@H]21 100371470 QYIOZTGZGGRHAI-RWFYZBESSA-N 274.228 -0.320 50 40 CBGB CCCCC(=O)NN/C=C1\C(=O)NC(=S)N(C)C1=O 9319795 ZAUMWNJVIFHXPI-VOTSOKGWSA-N 284.341 -0.446 50 40 CBGB COCCNC(=O)CC(=O)N/N=C/c1ccccn1 5511762 GODQFDXAKBIRMT-OQLLNIDSSA-N 264.285 -0.316 50 40 CBGB O=C(c1c(F)cc(B(O)O)cc1F)N1CCCC1 169994660 SGDMUFAYYHTSRU-UHFFFAOYSA-N 255.029 -0.119 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 1834608 GMVKGESSGOHNPZ-LFYBBSHMSA-N 290.243 -0.686 50 40 CBGB Cc1nc(C(=O)N2CCC[C@H](C(=O)NN)C2)co1 226106773 ACWFINCJYZTYLD-QMMMGPOBSA-N 252.274 -0.175 50 40 CBGB CNC(=S)NNC(=O)CCn1ccc([N+](=O)[O-])n1 2781199 OVSHNAOSXRFWNM-UHFFFAOYSA-N 272.290 -0.694 50 40 CBGB NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 3628887 WIKPOVHXIIIGLU-UHFFFAOYSA-N 292.284 -0.436 50 40 CBGB O=C(CN1CCOCC1)N/N=C\c1ccc(O)cc1O 15226299 MATGQKZHGSQIOP-ZSOIEALJSA-N 279.296 -0.120 50 40 CBGB COc1ccc(NC(=O)COCC(=O)NN)cc1 58838665 FGQJATGNLWPAJR-UHFFFAOYSA-N 253.258 -0.360 50 40 CBGB NC(=O)/C=C(/C(N)=O)N(CCCl)CCCl 104392594 IHQXLCPWMUDDQL-WAYWQWQTSA-N 254.117 -0.380 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C/C(=N\NC(N)=O)[C@H]4[C@H]3C[C@@H]2[C@H]14 105589992 VGAPAJONVCYASD-HRKFKXCZSA-N 290.327 -0.043 50 40 CBGB O=C(COC(=O)C1=COCCO1)NNC(=O)c1ccco1 7655295 XWQIZWNHZUGLFS-UHFFFAOYSA-N 296.235 -0.528 50 40 CBGB C[N+](C)(C)CC(=O)NN/C=C1/C=C([N+](=O)[O-])C=CC1=O 38175375 OQRJBONLLGPMRW-UHFFFAOYSA-O 281.292 -0.503 50 40 CBGB C[C@H]1[C@](O)(c2ccccc2)NC(=O)[C@]12C(=O)NC(N)=C2C#N 100253540 IAWKKRFIJOXXHV-BKQRNIBNSA-N 298.302 -0.592 50 40 CBGB COc1ccc(CC(=O)N[C@H](C)C(=O)NN)cc1 32579328 QWAVSTHTKBCPPR-MRVPVSSYSA-N 251.286 -0.268 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccccc1O 3059937 GFRNXKUCHNTJKR-RIYZIHGNSA-N 265.269 -0.395 50 40 CBGB Cc1cc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)no1 575425586 SVZDWBGDVLMFIM-RQJHMYQMSA-N 293.732 0.509 50 40 CBGB CC(=O)NNC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 19988189 OVVXGFWCVJTYKM-MRVPVSSYSA-N 277.280 -0.032 50 40 CBGB C[Si](C)(CNCCN)O[Si](C)(C)CNCCN 195759204 JRXMBBDJETXSIO-UHFFFAOYSA-N 278.549 -0.412 50 40 CBGB CS(=O)(=O)N(NC(=O)c1ccco1)S(C)(=O)=O 6519885 XWPCIANVGMZDOO-UHFFFAOYSA-N 282.299 -0.854 50 40 CBGB CNC(=O)c1cc(OC)cc(OC)c1C(=O)C(=O)NN 96191902 XRUBPHPRNWVOBC-UHFFFAOYSA-N 281.268 -0.764 50 40 CBGB Cc1cc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)no1 575425583 SVZDWBGDVLMFIM-BQBZGAKWSA-N 293.732 0.509 50 40 CBGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1 3061448 JYLCEIRMCAOKST-UHFFFAOYSA-N 257.315 -0.395 50 40 CBGB O=C(CCCC(=O)NNC(=O)C1CC1)NNC(=O)C1CC1 1794789 SANLYOUYCOEPGO-UHFFFAOYSA-N 296.327 -0.729 50 40 CBGB NC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 5714384 HQWPWJWEIUPTLD-UHFFFAOYSA-N 267.201 -0.767 50 40 CBGB Cc1cc(N)nc(N2CCC[C@@H](C(=O)NN)C2)n1 95117402 MFJLBCMBZRQYFF-MRVPVSSYSA-N 250.306 -0.426 50 40 CBGB Cc1cc(C)c(S(=O)(=O)NCC(=O)NN)c(C)c1 409118295 OVONQUCONHFLQL-UHFFFAOYSA-N 271.342 -0.120 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C/C(=N/NC(N)=O)[C@H]4[C@@H]13 257346587 VGAPAJONVCYASD-PUUZWXBSSA-N 290.327 -0.043 50 40 CBGB COc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 4576131 URPHNCFCXDRQGA-UHFFFAOYSA-N 290.235 -0.853 50 40 CBGB O=C(C[C@H]1NCCNC1=O)N/N=C/c1ccco1 55116670 JSPMXZKDUQYMDZ-CULDGANSSA-N 250.258 -0.792 50 40 CBGB CC(C)(C)OC(=O)NNC(=O)CCN1C(=O)C=CC1=O 22061947 RQBQFETUSNMAAI-UHFFFAOYSA-N 283.284 -0.143 50 40 CBGB in-vitro CNS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1 41781240 OVGREYHEMQDBND-UHFFFAOYSA-N 297.336 -0.234 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1806061 OZKRRIKSNWRHOE-XCVCLJGOSA-N 296.272 -0.625 50 40 CBGB N#Cc1c(N)c(C(=O)NN)nn(-c2ccccc2)c1=O 6829727 UTQFDUJKRIMDGA-UHFFFAOYSA-N 270.252 -0.710 50 40 CBGB O=C(N/N=C\c1cc(=O)[nH]c(=O)[nH]1)c1ccccc1 17420778 GEJLLVASEIQCAC-QPEQYQDCSA-N 258.237 -0.173 50 40 CBGB NNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 2676386 YDWQEDKPPKPLGP-UHFFFAOYSA-N 252.230 -0.295 50 40 CBGB O=C(C[C@@H]1NC(=O)NC1=O)NNC(=O)c1ccccc1 15057101 PJZCVAXMSWUXPY-QMMMGPOBSA-N 276.252 -0.954 50 40 CBGB CN1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101319092 JAKDZJVSEIUEES-DETIIMEDSA-N 282.774 -0.048 50 40 CBGB CCCCC[C@H](O)C[C@H](CC(=O)NN)C(=O)NN 2289083 DDDVPKLZKXDWHK-BDAKNGLRSA-N 260.338 -0.696 50 40 CBGB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NN)cc1C 408552251 KMFIJBJDDFZKDD-MRVPVSSYSA-N 287.341 -0.340 50 40 CBGB Cc1cn([C@@H]2C[C@@H](Cl)[C@H](CO)O2)c(=O)[nH]c1=O 1842577 KQVJDKGDGLWBQT-CSMHCCOUSA-N 260.677 -0.268 50 40 CBGB COc1ccc(CCNC(=O)C(=O)NN)cc1OC 4525754 RTIILNZUZUYHDX-UHFFFAOYSA-N 267.285 -0.648 50 40 CBGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1C[C@@H]1CCCO1 72415059 PUESJJHOVSRSMN-LURJTMIESA-N 287.703 -0.281 50 40 CBGB OC[C@H]1O[C@H](c2ccc(N=C=S)cc2)[C@H](O)[C@@H](O)[C@@H]1O 95890264 GYVXBHCFFSIFHR-UJPOAAIJSA-N 297.332 -0.064 50 40 CBGB CCCCC[C@]1(/C=N/NC(N)=O)NC(=O)NC1=O 1602419 ZCLCFAMELJXQJI-HAAVITCDSA-N 255.278 -0.201 50 40 CBGB COCCNC(=O)CC(=O)N/N=C/c1cccc(O)c1 59434406 XVCWOJFSIAQVTB-OQLLNIDSSA-N 279.296 -0.005 50 40 CBGB CC(C)N1C[C@H](O)C2=C/C(=N/NC(N)=O)C(=O)C=C21 5314647 XZKVIDLLLOUTSS-KSSSLANASA-N 264.285 -0.511 50 40 CBGB in-man Nc1nonc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 16400995 AGGBQSKFPBDRJC-UHFFFAOYSA-N 292.211 -0.365 50 40 CBGB CC[C@@H]1CC[C@H](C(=O)NNS(=O)(=O)c2cn[nH]c2)O1 79094891 HZFYLSZXJCHING-VXNVDRBHSA-N 288.329 -0.323 50 40 CBGB CCCCC[C@@H](O)C[C@H](CC(=O)NN)C(=O)NN 2289084 DDDVPKLZKXDWHK-RKDXNWHRSA-N 260.338 -0.696 50 40 CBGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccn1 59516100 RNLGTIWWFAHZNX-AXLKIAQESA-N 276.296 -0.173 50 40 CBGB Cn1c(NNC(=O)c2ccccc2F)cc(=O)n(C)c1=O 2706505 OGDWSLJFADLRJN-UHFFFAOYSA-N 292.270 -0.020 50 40 CBGB CCOC(=O)C(=O)NNS(=O)(=O)c1ccc(C)cc1 3064534 OVDPUUCORYQYIX-UHFFFAOYSA-N 286.309 -0.132 50 40 CBGB CCCCC(=O)NNC=C1C(=O)NC(=S)NC1=O 9331991 ADXGSAGKBJBWOT-UHFFFAOYSA-N 270.314 -0.788 50 40 CBGB CN1C(=O)C(C[C@H]2CC(=O)OC2=O)C(=O)N(C)C1=O 100913468 LSSKGJMHFWUDOL-YFKPBYRVSA-N 268.225 -0.867 50 40 CBGB O=C(Cc1nnn[nH]1)N/N=C/c1cc([N+](=O)[O-])ccc1O 103616825 FGTIYXZNTGCGRK-VZUCSPMQSA-N 291.227 -0.494 50 40 CBGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccncc1 5605216 RGYBXHXONVXKOD-FNQVVVRFSA-N 276.296 -0.173 50 40 CBGB O=C(N/N=C/c1cc(=O)[nH]c(=O)[nH]1)c1cccnc1 137830 CJPOPDYAUASQGT-AWNIVKPZSA-N 259.225 -0.778 50 40 CBGB CN1C(=O)[C@]2(C(=O)N[C@]3(O)CCCC[C@@]32C)C(C#N)=C1N 96336689 INNMNVSMCNFFFT-MELADBBJSA-N 290.323 -0.463 50 40 CBGB CN(C)S(=O)(=O)c1ccc(OCC(=O)NN)cc1 223468443 XSWHOMYCAKMDNN-UHFFFAOYSA-N 273.314 -0.694 50 40 CBGB O=C1NC(=O)C(=CNNC(=O)c2ccccc2)C(=O)N1 3084427 GOQYIGPQQCCFTI-UHFFFAOYSA-N 274.236 -0.829 50 40 CBGB CCOC(=O)[C@H]1CN(C(=O)OCC)C/C1=N/NC(N)=O 4972884 NDRVGZUMJKJOHG-LJVSZVHQSA-N 286.288 -0.338 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 3059980 XEEWZTATGFJSOX-RIYZIHGNSA-N 294.267 -0.193 50 40 CBGB Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=S)NC1CC1 8306596 MTOVPFRLBADPIO-UHFFFAOYSA-N 284.301 -0.400 50 40 CBGB C/C=N\NC(=O)CNC(=O)CNC(=O)c1ccccc1 4892609 COQFGUHQSCFLEG-CFZMTHNTSA-N 276.296 -0.346 50 40 CBGB C[n+]1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)c1 500352 WAIZVHOSRPZALV-SECBINFHSA-O 298.282 -0.894 50 40 CBGB Cc1ccn(CC(=O)NNC(=S)NC2CC2)n1 2788490 FYNVDULBPNRDTN-UHFFFAOYSA-N 253.331 -0.151 50 40 CBGB O=S1(=O)C[C@H](NC(=S)OC[C@H]2CO2)[C@@H](Cl)C1 40168284 MYVICXDRKWPYLR-VQVTYTSYSA-N 285.774 -0.319 50 40 CBGB CCOC(=O)NNc1c(N=O)c(=O)n(C)c(=O)n1C 4085856 GYYLZALBCUXAEB-UHFFFAOYSA-N 271.233 -0.445 50 40 CBGB NNC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 62701410 UTLHJPLTBLXVHA-UHFFFAOYSA-N 251.206 -0.903 50 40 CBGB CCC1=C(C)NC(=O)[C@]12C(=O)NC(NC(C)=O)=C2C#N 100257466 JEAAKRUSLMOIGF-ZDUSSCGKSA-N 274.280 -0.212 50 40 CBGB COc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1C 565054 QUANDJOWSWMVJC-UHFFFAOYSA-N 287.341 -0.386 50 40 CBGB COCCNC(=O)C(=O)NNC(=O)c1ccccc1OC 2308934 CWHSVOUFCFSKDU-UHFFFAOYSA-N 295.295 -0.781 50 40 CBGB C/C(=N\NC(=O)C(N)=O)c1cccc([N+](=O)[O-])c1 4646919 SCZDWBNMBNWFAC-WUXMJOGZSA-N 250.214 -0.080 50 40 CBGB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCl 4219107 LRQJYPWDRMIEDJ-QMMMGPOBSA-N 296.776 -0.623 50 40 CBGB C/C(=N\NC(=O)C(=O)NN)c1cc2ccccc2oc1=O 5369915 HUACBNVEIDDXPV-FRKPEAEDSA-N 288.263 -0.377 50 40 CBGB C[C@H](Cl)C(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 36904973 HJBCFHJBOLRHTR-WDSKDSINSA-N 268.722 -0.373 50 40 CBGB NC(=O)N/N=C/c1sc(=O)[nH]c1-[n+]1ccccc1 13757341 NTSPIPZFTVRMIY-UHFFFAOYSA-O 264.290 -0.285 50 40 CBGB NNC(=O)CSc1nnc(-c2ccncc2)n1CCO 10312580 UAUWNIDNAPEEPX-UHFFFAOYSA-N 294.340 -0.586 50 40 CBGB O=C(N/N=C1\NC(=O)C(CO)(CO)S1)c1ccccc1 18285220 JANIXOSVHNHLTG-UHFFFAOYSA-N 295.320 -0.726 50 40 CBGB C/C(=N\NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccc(O)cc1 55116565 PPZSSTYHPWQDFD-FRKPEAEDSA-N 288.263 -0.077 50 40 CBGB C[n+]1ccc(C(=O)NNC(=O)c2cc[n+](C)cc2)cc1 1402787 LSECJJSAWYQGNY-UHFFFAOYSA-P 272.308 -0.590 50 40 CBGB CC(=O)NNC(=O)CSc1nnc2ccccn12 8245091 VMSRJCZIXJWEQY-UHFFFAOYSA-N 265.298 -0.011 50 40 CBGB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NN)cc1 408589699 FBQGQFZPTPTPNR-MRVPVSSYSA-N 287.341 -0.258 50 40 CBGB NNC(=O)COc1ccc(=O)n(-c2ccccc2)n1 530806 CSOHGRUFSBXFOE-UHFFFAOYSA-N 260.253 -0.399 50 40 CBGB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN 8223289 ZFCQYNGHNRGNTM-ZCFIWIBFSA-N 277.733 -0.003 50 40 CBGB COc1cc(/C=N/NC(=O)C(N)=O)cc(OC)c1OC 3575374 KFEPNMVIZUJULL-MKMNVTDBSA-N 281.268 -0.352 50 40 CBGB O=C(NO)N/N=C/c1ccc(/C=N/NC(=O)NO)cc1 8628515 XOJPYSVCGXVBNK-YDWXAUTNSA-N 280.244 -0.269 50 40 CBGB C/C(=N\NC(=O)c1c(N)no[n+]1[O-])c1ccccc1O 5008384 IQXDZTFBXMSDSJ-AWNIVKPZSA-N 277.240 -0.250 50 40 CBGB COCC(=O)N/N=C(\C)CC(=O)NC[C@@H]1CCCO1 14923046 BSVDSIZZAOCLCK-RSYJBZMQSA-N 271.317 -0.190 50 40 CBGB Cc1nn(C)c(C)c1CC(=O)NNc1nnc(C)c(=O)[nH]1 22239393 WAUNCOGRTROWAL-UHFFFAOYSA-N 291.315 -0.491 50 40 CBGB O=C(O)/C=C\C(=O)NNC(=S)NCc1ccco1 100834474 MLKGSQRCJNGEGI-ARJAWSKDSA-N 269.282 -0.084 50 40 CBGB CC1=NN(C(=O)CC#N)[C@](C)(NNC(=O)CC#N)C1 302986 QLAXFQYOCULWIT-NSHDSACASA-N 262.273 -0.241 50 40 CBGB CC(=O)NNC(=O)Cn1cnc2ccccc2c1=O 141397 FKCPOIYRQYAKQF-UHFFFAOYSA-N 260.253 -0.436 50 40 CBGB NNC(=O)[C@H](CO)NC(=O)c1ccccc1Cl 85400260 ODUSBAANCYFSFO-QMMMGPOBSA-N 257.677 -0.579 50 40 CBGB C/C(=N/NC(N)=O)c1cccc(/C(C)=N/NC(N)=O)n1 17120231 CCNROAALLUYANQ-NFKAIRTRSA-N 277.288 -0.134 50 40 CBGB O=C(CCl)NC(=O)N[C@H]1CCS(=O)(=O)C1 4204616 IDJVUDPXXRWYED-YFKPBYRVSA-N 254.695 -0.762 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@@H]3C[C@@H]4[C@H](/C(=N/NC(N)=O)C[C@@H]42)[C@@H]13 102973051 VGAPAJONVCYASD-OBQFAGFZSA-N 290.327 -0.043 50 40 CBGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccs1 55952 VOTLCXDYPHJKLP-WUXMJOGZSA-N 293.308 -0.397 50 40 CBGB CCCCCn1c(NNC=O)nc2c1c(=O)[nH]c(=O)n2C 13511014 MENUYIMIYVJUDT-UHFFFAOYSA-N 294.315 -0.314 50 40 CBGB CCC(=O)NNC(=O)Cc1nnc(NC(=O)CC)s1 33696889 RBQLVJKMUUHVFW-UHFFFAOYSA-N 285.329 -0.014 50 40 CBGB NNC(=O)CN1C(=O)C2(OCCO2)c2ccccc21 3213409 SOBHKZHLCOJHTI-UHFFFAOYSA-N 263.253 -0.777 50 40 CBGB NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O 1614028 RJYMEYUTHKQZIS-UHFFFAOYSA-N 267.072 -0.777 50 40 CBGB COc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1 6545409 NFTLSWZCPCAILX-UHFFFAOYSA-N 273.314 -0.694 50 40 CBGB COC(=O)[C@@H](OCC(=O)OCC(=O)Cl)C(=O)Cl 263583699 UCSVNZFVLYHHBK-LURJTMIESA-N 287.051 -0.381 50 40 CBGB COc1ccccc1/C=N/NC(=O)Cn1nnnc1N 13552652 AVUBXSYIHUUUPB-AWNIVKPZSA-N 275.272 -0.586 50 40 CBGB NNC(=O)CCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 27986415 SDRMDYOYRARQNM-NTUHNPAUSA-N 279.256 -0.185 50 40 CBGB CS(=O)(=O)N1CCC(NC(=O)CCl)CC1 35222013 KZPWBYBSJJIWSL-UHFFFAOYSA-N 254.739 -0.235 50 40 CBGB in-vitro CN(C)/C=N/C1=NC(N(C)C)=NC2=C(C#N)C(=O)CN12 8728699 OLWMVRYTMLSGIC-VGOFMYFVSA-N 273.300 -0.517 50 40 CBGB NNC(=O)C[C@H](C(=O)NN)c1cccc(Cl)c1 57351472 RKEHINQQYBKBPJ-QMMMGPOBSA-N 256.693 -0.207 50 40 CBGB CN1C(=O)[C@]2(C(=O)N[C@](C)(O)C2(C)C)C(C#N)=C1N 96336918 FORYSCXILAPRAD-VXGBXAGGSA-N 264.285 -0.997 50 40 CBGB CNC(=S)NNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 15019487 STCBDVODKHENHP-UHFFFAOYSA-N 294.336 -0.220 50 40 CBGB Cc1[nH]c(N)nc(=O)c1NC(=O)CBr 17005367 MJFOQZZHHFXZLO-UHFFFAOYSA-N 261.079 -0.006 50 40 CBGB CN(C)CCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 4206852 TZIMUJNACJULEF-VIFPVBQESA-N 282.793 -0.198 50 40 CBGB Cc1cc(C(=O)NNC(=O)CCC(=O)O)nn1C 96193736 SCZNGUKHZYCXFR-UHFFFAOYSA-N 254.246 -0.646 50 40 CBGB C[C@@H]1[C@]2(C(=O)NC(N)=C2C#N)C(=O)N[C@]1(O)c1ccccc1 230289011 IAWKKRFIJOXXHV-UKXDHYTESA-N 298.302 -0.592 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1ccccc1C(=O)O 4118831 MYINZDDQRMFKAD-WLRTZDKTSA-N 289.255 -0.896 50 40 CBGB Cc1cccc(OCC(=O)N[C@@H](C)C(=O)NN)c1 4587677 LSUPTJREGAJOIS-VIFPVBQESA-N 251.286 -0.132 50 40 CBGB COc1ccccc1OCC(=O)NNC(N)=S 9286938 BDVZQDQLHOFFSN-UHFFFAOYSA-N 255.299 -0.062 50 40 CBGB NNC(=O)c1cc(Br)cc(C(=O)NN)n1 36457958 BMMPRZIRYSINFI-UHFFFAOYSA-N 274.078 -0.949 50 40 CBGB COc1cc(/C(C)=N/NC(=O)[C@@H]2C=NNC2=O)ccc1O 100948973 TZUJWEURBZCVQF-NEFPKRPYSA-N 290.279 -0.027 50 40 CBGB NNC(=O)CCC(=O)N/N=C1\C(=O)Nc2ccccc21 27986304 FBQSSVMNRBHNNQ-UHFFFAOYSA-N 275.268 -0.771 50 40 CBGB CC(C)(C)OC(=O)NNS(=O)(=O)CC[C@@H](N)C(=O)O 2030133 ULDIAUKUDKTLDY-ZCFIWIBFSA-N 297.333 -0.853 50 40 CBGB CCNC(=S)NNC(=O)CCn1ccc([N+](=O)[O-])n1 2793571 CYJSRPREOHOZJN-UHFFFAOYSA-N 286.317 -0.303 50 40 CBGB Cc1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1 547969 DJJRFLOADJDNOP-AWNIVKPZSA-N 259.273 -0.286 50 40 CBGB COCCCNC(=O)C(=O)N/N=C/c1ccccn1 59516090 XYTJCYBJEYTGSK-OQLLNIDSSA-N 264.285 -0.316 50 40 CBGB NC(=O)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 25584717 YNCIIOSDYUSGMZ-UHFFFAOYSA-N 267.201 -0.767 50 40 CBGB NNC(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 18161910 QAYHKYYRFKPJAH-LRSDLPTKSA-N 262.317 -0.042 50 40 CBGB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NN 335175 AYGATVIYJLXTKW-JTQLQIEISA-N 271.342 -0.021 50 40 CBGB O=C1[C@@H](n2ccc(=O)[nH]c2=O)CCN1CCCl 336827 DHLWVYYTUWXYGY-ZETCQYMHSA-N 257.677 -0.451 50 40 CBGB CC(C)NC(=O)CN1CCN(C(=O)CCl)CC1 34781259 LPZWPBNLSWKSGV-UHFFFAOYSA-N 261.753 -0.106 50 40 CBGB in-vitro Cc1ccccc1/C=N/NC(=O)Cn1nnc(N)n1 547886 PJYDTCXVMZBUHX-AWNIVKPZSA-N 259.273 -0.286 50 40 CBGB CCOC(=O)C(NC(=O)CCl)C(=O)OCC 1684567 FIRXYFZXNJPHDX-UHFFFAOYSA-N 251.666 -0.164 50 40 CBGB COc1ccc([C@H](CC(=O)NN)C(=O)NN)cc1 57351462 LPUICHGYIIINPZ-VIFPVBQESA-N 252.274 -0.851 50 40 CBGB CC(C)N1C[C@H](O)C2=C/C(=N\NC(N)=O)C(=O)C=C21 100030730 XZKVIDLLLOUTSS-KYJZABPNSA-N 264.285 -0.511 50 40 CBGB COC(=O)NNC(=O)C(=O)N/N=C/c1cccs1 223812310 NJXWGRDPCGPXEZ-BJMVGYQFSA-N 270.270 -0.415 50 40 CBGB COC(=O)C(=O)N/N=C(\C(=O)O)c1ccccc1 2027645 GUTWYDLXIHHKCC-WQLSENKSSA-N 250.210 -0.236 50 40 CBGB CN(CCC#N)c1ccc(/C=N/NC(=O)C(N)=O)cc1 5611289 HCQLMCZMEGVOHQ-CXUHLZMHSA-N 273.296 -0.028 50 40 CBGB CNC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 59386526 LRWORYDTHUEMBJ-VIZOYTHASA-N 295.295 -0.092 50 40 CBGB CNC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 409133898 UVDLPPAPFNSECX-VGOFMYFVSA-N 265.269 -0.100 50 40 CBGB C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)C1CC1 40459949 NNJPVNNEFNKVDF-SSDOTTSWSA-N 265.269 -0.045 50 40 CBGB O=C(Cc1nnn[nH]1)N/N=C/c1ccccc1C(=O)O 95116256 OXFWRTRIFPJMMQ-WUXMJOGZSA-N 274.240 -0.409 50 40 CBGB CC(=O)NNC(=S)Nc1ccc(S(N)(=O)=O)cc1 4774849 YLEOKQKNVNDGLV-UHFFFAOYSA-N 288.354 -0.329 50 40 CBGB NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 225499443 NXLMYASHEGLLBF-UHFFFAOYSA-N 255.299 -0.269 50 40 CBGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccnc1 43706 BNDKISADQREDKY-MRVPVSSYSA-N 283.247 -0.324 50 40 CBGB COCc1cc(CC(C)=O)nc(C/C=N\NC(N)=O)n1 17156169 HSSRUAKGMOOFAP-CPSFFCFKSA-N 279.300 -0.049 50 40 CBGB O=NN(CCCl)C(=O)Nc1c[nH]c(=O)[nH]c1=O 4896485 RVQSVXMZBNKSFM-UHFFFAOYSA-N 261.625 -0.183 50 40 CBGB CCn1c(=O)c2ccc(C(=O)NN)cc2n2cnnc12 9482548 LFIHGOQBADZEJC-UHFFFAOYSA-N 272.268 -0.332 50 40 CBGB CC1=NN(C(=O)CC#N)[C@@](C)(NNC(=O)CC#N)C1 302989 QLAXFQYOCULWIT-LLVKDONJSA-N 262.273 -0.241 50 40 CBGB CCOC(=O)N([C@H]1CS(=O)(=O)C[C@H]1O)N(C)C 217389143 IIOVWTJWZQFSLB-JGVFFNPUSA-N 266.319 -0.921 50 40 CBGB O=C(CO)N/N=C/c1ccc(N2CCOCC2)cc1 366300 UBZUXZLUPAZDEY-NTEUORMPSA-N 263.297 -0.034 50 40 CBGB Cc1cc2ncc(C(=N)NNC(=O)CC#N)cn2n1 4073530 UHYJBSAMRWXAAQ-UHFFFAOYSA-N 257.257 -0.102 50 40 CBGB COC(=O)[C@@H]1[C@H]2O[C@H]3[C@H](OC(=O)[C@H]13)[C@@H]2Br 103980405 JZUHFMQFSNABPH-JDTVTDELSA-N 277.070 -0.138 50 40 CBGB Cn1c(CBr)c([N+](=O)[O-])c(=O)n(C)c1=O 967398 GLFFGHBZVNCINL-UHFFFAOYSA-N 278.062 -0.113 50 40 CBGB C[C@H](I)C/N=C1\NCC(=O)N1 1673575 KXKLERWFXYGJDG-BYPYZUCNSA-N 267.070 -0.115 50 40 CBGB Cc1cccc(OCC(=O)N[C@H](C)C(=O)NN)c1 4587685 LSUPTJREGAJOIS-SECBINFHSA-N 251.286 -0.132 50 40 CBGB COCCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O 11566800 JKESSSFUCRWDAP-UHFFFAOYSA-N 261.665 -0.813 50 40 CBGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)OC(=O)[C@@H]3[C@H]12 100945028 QYIOZTGZGGRHAI-GRLWESAKSA-N 274.228 -0.320 50 40 CBGB O=C(CBr)N[C@H](C(=O)O)N1C(=O)CCC1=O 1772490880 PWNFXKUAGCABIA-ZETCQYMHSA-N 293.073 -0.943 50 40 CBGB COC(=O)[C@H](N)CSSC[C@H](N)C(=O)OC 1623391 NXPNPYNCKSWEHA-OLQVQODUSA-N 268.360 -0.632 50 40 CBGB biogenic C#CCN1CCCC[C@H]1C(=O)NNc1nnc(C)c(O)n1 69255570 FEBRNWPQJIESPU-JTQLQIEISA-N 290.327 -0.184 50 40 CBGB Nc1ncnc2c1ncn2[C@H]1O[C@@H](CCl)[C@H](O)[C@@H]1O 2564145 IYSNPOMTKFZDHZ-DEGSGYPDSA-N 285.691 -0.734 50 40 CBGB NC(=O)NNC(=O)COCC(=O)Nc1ccc(F)cc1 4681915 WITZVQZEZGUPKE-UHFFFAOYSA-N 284.247 -0.520 50 40 CBGB CCOC(=O)[C@@H]1CSSC[C@H](N)C(=O)N1 1708700 JXIJTMGDLYLWMF-WDSKDSINSA-N 250.345 -0.243 50 40 CBGB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NN 33652925 KZEDSLPKNCLBLG-ZCFIWIBFSA-N 261.278 -0.518 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C/C(=N/NC(N)=O)[C@@H]4[C@H]3C[C@H]2[C@H]14 257346586 VGAPAJONVCYASD-GVALTAKDSA-N 290.327 -0.043 50 40 CBGB COCCNC(=O)C(=O)NNC(=O)C1CCCCC1 6180183 IAGPVVCFIZWXDB-UHFFFAOYSA-N 271.317 -0.523 50 40 CBGB NNC(=O)c1nc(CC(=O)Nc2ccccc2)no1 78404326 DTEGPILVOTXHIO-UHFFFAOYSA-N 261.241 -0.146 50 40 CBGB N#Cc1cccc([C@@H](O)Cn2cc(C(=O)NN)nn2)c1 98211076 MJGWXMWKQYGYBB-NSHDSACASA-N 272.268 -0.513 50 40 CBGB CCOC(=O)/C=C(/N)NNC(=O)c1ccncc1 2561414 YOAGMCBLBBBXQO-CLFYSBASSA-N 250.258 -0.321 50 40 CBGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1[C@H]3C=C[C@@H]([C@H]4C(=O)OC(=O)[C@H]34)[C@H]12 100945030 QYIOZTGZGGRHAI-GKYTZBSQSA-N 274.228 -0.320 50 40 CBGB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NN 33422714 KCRAOPFDBSONOL-MRVPVSSYSA-N 287.341 -0.340 50 40 CBGB O=C(O)[C@H]1[C@@H]2OO[C@H]3[C@@H]2O[C@H]1[C@H]3Br 104171793 JMQKMTCBJHYVCV-XCMZKKERSA-N 251.032 -0.069 50 40 CBGB Cn1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)nn1 1327310096 KZTNKQFUBFQBSD-SSDOTTSWSA-N 284.345 -0.897 50 40 CBGB NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 420809 KFEAEBVYSWALAN-UHFFFAOYSA-N 285.325 -0.689 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1cc(Cl)ccc1O 6220035 KBUPOPFQWBPAQQ-YIXHJXPBSA-N 295.690 -0.235 50 40 CBGB CCOC(=O)[C@H]1C=C(C#N)O[C@](NC(C)=O)(C(=O)OC)C1 4267371 WBGINSIKQAYBGO-ZANVPECISA-N 296.279 -0.001 50 40 CBGB CCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 5952545 INDBILQSPPKIEL-VGOFMYFVSA-N 265.269 -0.013 50 40 CBGB NC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1667237 PPHLPGYAELNIEG-UHFFFAOYSA-N 269.173 -0.184 50 40 CBGB O=C(Cc1ccccc1)NN=C1C(=O)NC(=O)NC1=O 3032503 CBHVDHOIFFSHJW-UHFFFAOYSA-N 274.236 -0.933 50 40 CBGB COc1ccc(C(=O)NN)cc1S(=O)(=O)NC(C)C 8475830 QOOBJHAMJPIDCP-UHFFFAOYSA-N 287.341 -0.015 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1ccccc1F 267147 YMTKXTVCRKXQRC-WLRTZDKTSA-N 263.236 -0.455 50 40 CBGB NNC(=O)c1cn(C[C@@H](O)c2ccccc2F)nn1 98211158 NGCUGQQXCWCQKE-SNVBAGLBSA-N 265.248 -0.246 50 40 CBGB CCCCCC[C@@H](O)C[C@H](CC(=O)NN)C(=O)NN 2273672 IPDVVUTUAVQUES-NXEZZACHSA-N 274.365 -0.306 50 40 CBGB COc1ccc([C@@H]2C(C#N)=C(N)NC(=O)[C@H]2C(N)=O)cc1 1578348 SHIIORLXEPYDLV-GHMZBOCLSA-N 286.291 -0.296 50 40 CBGB CC(C)[C@@]1(C)NC(c2ncccc2C(=O)NN)=NC1=O 22199113 PILSYCKYRLTXIO-CYBMUJFWSA-N 275.312 -0.024 50 40 CBGB CN1C(=O)C[C@H](NNC(=O)c2cccc(F)c2)C1=O 477662 ZHRLYRDGCIDOIF-VIFPVBQESA-N 265.244 -0.183 50 40 CBGB Cc1cc([N+](=O)[O-])nn1CC(=O)NNC(=S)NC1CC1 2788435 BVYAADSRVREEEP-UHFFFAOYSA-N 298.328 -0.243 50 40 CBGB CN1CCN(S(=O)(=O)c2ccc(C(=O)NN)cc2)CC1 34781251 JJDSGNGGVNMDFJ-UHFFFAOYSA-N 298.368 -0.774 50 40 CBGB Nc1nc2c(ncn2CO[C@H](CO)CCl)c(=O)[nH]1 3600449 FQZPLTGJIGCMPY-YFKPBYRVSA-N 273.680 -0.724 50 40 CBGB in-vitro COCCNC(=O)C(=O)N/N=C/c1ccc(O)cc1 7812971 VOCHHNFBTJAAEM-RIYZIHGNSA-N 265.269 -0.395 50 40 CBGB COc1cccc(/C=N\NC(=O)C2=NNC(=O)[C@H]2C)c1O 100371508 IHAXRNJDKYABKN-LCMBMATOSA-N 290.279 -0.027 50 40 CBGB Cc1cnc(C(=O)NNc2nnc(C)c(O)n2)cn1 22701299 DJUFCCDHVSMWRM-UHFFFAOYSA-N 261.245 -0.259 50 40 CBGB CCNS(=O)(=O)c1ccc(CCC(=O)NN)cc1 33749085 BWZWDHXLFFPZHE-UHFFFAOYSA-N 271.342 -0.093 50 40 CBGB O=C(C[C@@H]1NCCNC1=O)N/N=C/c1ccc(O)cc1 3056534 WNNDUMFYNGRKFA-AXLKIAQESA-N 276.296 -0.680 50 40 CBGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 59960626 CRNFCTARZZBXJR-RWNYKPJXSA-N 265.269 -0.618 50 40 CBGB CCOC(=O)[C@H]1CN(C(=O)OCC)C/C1=N\NC(N)=O 16952446 NDRVGZUMJKJOHG-AXGKHFFLSA-N 286.288 -0.338 50 40 CBGB NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 11565632 VVLGWWFPOZYTGS-UHFFFAOYSA-N 284.253 -0.229 50 40 CBGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O 25390556 HHGRCCKTTFKPNS-AAXQSMANSA-N 296.327 -0.062 50 40 CBGB COCc1cc(C)nc(OCC(=O)NN)c1C#N 7277929 WVPGXTBSNDXRBW-UHFFFAOYSA-N 250.258 -0.223 50 40 CBGB C[C@@H](Cl)C(=O)NO[C@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 1570003522 PORHZIFFNUZXRC-CRYJZLASSA-N 253.682 -0.482 50 40 CBGB Cc1ccn(CC(=O)NNC(=S)NC[C@H]2CCCO2)n1 2747857 VURABUDUHOMHKU-SNVBAGLBSA-N 297.384 -0.134 50 40 CBGB CC(=O)c1c(NNC(=O)NC(N)=O)oc(C)cc1=O 27027954 FRYFDZCEKMKUNE-UHFFFAOYSA-N 268.229 -0.144 50 40 CBGB NC(=O)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3238633 YANFZOJNYUXPIY-KGVSQERTSA-N 280.196 -0.741 50 40 CBGB NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 4201756 HWEGKIZXZIUJHP-UHFFFAOYSA-N 263.706 -0.392 50 40 CBGB O=C(CCl)NC(=O)N[C@@H]1CCS(=O)(=O)C1 3441685 IDJVUDPXXRWYED-RXMQYKEDSA-N 254.695 -0.762 50 40 CBGB C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C1CC1 26967859 NNJPVNNEFNKVDF-ZETCQYMHSA-N 265.269 -0.045 50 40 CBGB CCN(CC(=O)NN)S(=O)(=O)c1ccc(F)cc1 6139088 DCLKAIXVYZEBKX-UHFFFAOYSA-N 275.305 -0.174 50 40 CBGB CNS(=O)(=O)c1cc(C(=O)NN)ccc1OC 8475965 CKICUFGPYYDJLZ-UHFFFAOYSA-N 259.287 -0.793 50 40 CBGB O=C(NNC(=O)c1cc[n+]([O-])cc1)c1ccncc1 372466 JJQRWLSKVKXVIB-UHFFFAOYSA-N 258.237 -0.210 50 40 CBGB CCOC(=O)CC(CC(=O)OCC)=NNC(N)=O 5701108 LAVCFUNVWOAZRE-UHFFFAOYSA-N 259.262 -0.083 50 40 CBGB COC(=O)[C@H]1[C@@H]2C(=O)O[C@H]3[C@@H]2O[C@H]1[C@H]3Br 103980414 JZUHFMQFSNABPH-QQHYIUTGSA-N 277.070 -0.138 50 40 CBGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccco1 4713751 NPOBLNYPVQSYOS-UHFFFAOYSA-N 253.258 -0.045 50 40 CBGB COC1=C/C(=C/NNC(=O)C[N+](C)(C)C)C=CC1=O 4744337 DQPFXDREIJZUQT-UHFFFAOYSA-O 266.321 -0.134 50 40 CBGB COC(=O)[C@H](CC(=O)C=[N+]=[N-])NC(=O)C(Cl)Cl 4983247 GYZSBCLHSCRIPE-YFKPBYRVSA-N 282.083 -0.292 50 40 CBGB COCCNC(=O)C(=O)NNC(=O)CCc1ccccc1 4996286 YSWDOWZOENMPCI-UHFFFAOYSA-N 293.323 -0.471 50 40 CBGB O[C@H](CCl)CN1CCN(C[C@H](O)CCl)CC1 19364764 LQOMYIZRPNPJDB-NXEZZACHSA-N 271.188 -0.197 50 40 CBGB COC[C@H]1CCCN([C@H](C)C(=O)NNC(C)=O)C1 96004056 ONVNBCPIQTVTIC-KOLCDFICSA-N 257.334 -0.099 50 40 CBGB CC(C)CC(=O)NNC=C1C(=O)NC(=S)NC1=O 98087113 HSGDXTPJVKNMBB-UHFFFAOYSA-N 270.314 -0.932 50 40 CBGB C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)NN 34259716 KBPKTOXMTUBNDU-WPRPVWTQSA-N 267.285 -0.348 50 40 CBGB COc1ccc(/C=N/NC(=O)c2c[nH]c(=O)[nH]c2=O)cc1 3124178 HCFSDIUCUKMXGN-GIDUJCDVSA-N 288.263 -0.164 50 40 CBGB CC(=O)NNC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 19988185 OVVXGFWCVJTYKM-QMMMGPOBSA-N 277.280 -0.032 50 40 CBGB C[C@H]1CCc2c(sc3nnn(CC(=O)NN)c(=O)c23)C1 1784818 MDUWNPSSROZBTF-LURJTMIESA-N 293.352 -0.032 50 40 CBGB Cc1sc2nc(CCC(=O)NN)n(N)c(=O)c2c1C 375041 CFWYKERUCMOOAI-UHFFFAOYSA-N 281.341 -0.289 50 40 CBGB COc1cccc(/C=N/NC(=O)Cn2nnc(N)n2)c1O 547834 LKBQMKBVXLENRG-WLRTZDKTSA-N 291.271 -0.880 50 40 CBGB COCCNC(=O)C(=O)NNC(=O)c1cccc(Cl)c1 2274320 XSCHTCKFXGSSMM-UHFFFAOYSA-N 299.714 -0.136 50 40 CBGB Cc1ccc(-n2nc(C(=O)NN)c(N)c(C#N)c2=O)cc1 5617970 USIIUUDZBMBAOW-UHFFFAOYSA-N 284.279 -0.402 50 40 CBGB O[C@@H](CCl)CN1CCN(C[C@@H](O)CCl)CC1 19364768 LQOMYIZRPNPJDB-UWVGGRQHSA-N 271.188 -0.197 50 40 CBGB O=C(CCl)NC[C@H](NC(=O)CCl)C(=O)O 1737812 GPHZBINZBUJLLC-BYPYZUCNSA-N 257.073 -0.850 50 40 CBGB O=C=Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 199780090 QINDGKPJUXJNOL-UHFFFAOYSA-N 281.293 -0.226 50 40 CBGB O=C1NC(=O)C(=NNC(=O)c2ccccc2Cl)C(=O)N1 5583671 ZMUJZLSITZHIHI-UHFFFAOYSA-N 294.654 -0.208 50 40 CBGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NN 335179 AYGATVIYJLXTKW-SNVBAGLBSA-N 271.342 -0.021 50 40 CBGB C/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](C)C=2C#N 5372162 ZKSCWZNUBGWZOO-HDXZXNKZSA-N 258.306 -0.315 50 40 CBGB O=C(NNc1nc(O)c([N+](=O)[O-])c(O)n1)c1ccccn1 9354190 JLFXPXKJJFMMEZ-UHFFFAOYSA-N 292.211 -0.052 50 40 CBGB CNC(=S)NNC(=O)CNC(=O)c1cccc(C)c1 32579319 SWPHKKKLJSPEPH-UHFFFAOYSA-N 280.353 -0.150 50 40 CBGB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NN)cc1 32780754 MWWSNZFWEKPFEE-ONGXEEELSA-N 299.352 -0.891 50 40 CBGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1nc[nH]n1 16693979 AXKTWMKCEMASCE-YWEYNIOJSA-N 258.241 -0.061 50 40 CBGB CC(C)N1C[C@@H](O)C2=C/C(=N/NC(N)=O)C(=O)C=C21 16893612 XZKVIDLLLOUTSS-ZEVOCZHWSA-N 264.285 -0.511 50 40 CBGB in-man C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 36904972 HJBCFHJBOLRHTR-PHDIDXHHSA-N 268.722 -0.373 50 40 CBGB O=S1(=O)OCCCOS(=O)(=O)C1Br 73280513 HVLDDIVWVPWBOB-UHFFFAOYSA-N 295.132 -0.239 50 40 CBGB CC(C)(C)OC(=O)[C@H](N)c1cnccc1B(O)O 203649997 BQGGWYCQXXRJSD-SECBINFHSA-N 252.079 -0.897 50 40 CBGB O=C/C(=C\NC(CO)(CO)CO)c1nc2ccccc2o1 3013047 ZSHRMBTZYSFVRR-BJMVGYQFSA-N 292.291 -0.327 50 40 CBGB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NN 33652924 KZEDSLPKNCLBLG-LURJTMIESA-N 261.278 -0.518 50 40 CBGB C[C@H](C(=O)NN)N1CCN(C(=O)OC(C)(C)C)CC1 72329866 SDHIHUUNGDRWRO-SECBINFHSA-N 272.349 -0.083 50 40 CBGB CN(CC(=O)NN)S(=O)(=O)c1ccc(F)cc1 16188008 YSODZARGWZPGET-UHFFFAOYSA-N 261.278 -0.564 50 40 CBGB OB(O)c1ccccc1/C=C\c1ccccc1B(O)O 195756776 SIMRIQSKDZMOBD-KTKRTIGZSA-N 267.886 -0.783 50 40 CBGB COC(=O)[C@@H]1[C@@H]2C=C(C#N)[C@H]([C@@H]1C(=O)OC)N2C 5029053 NOPWINKZLOSIED-SGIHWFKDSA-N 250.254 -0.289 50 40 CBGB NNC(=O)c1n[nH]c([N+](=O)[O-])c1Br 5941972 MWMGBSDJHSIJIW-UHFFFAOYSA-N 250.012 -0.316 50 40 CBGB CN(C)NC(=O)CCNS(=O)(=O)c1ccccc1 8033208 BVPOECZTRJORAP-UHFFFAOYSA-N 271.342 -0.052 50 40 CBGB O=C(CNc1nnc(O)nc1O)N/N=C/c1cccnc1 8691105 FXXOWYCAHJYMAU-LHHJGKSTSA-N 289.255 -0.760 50 40 CBGB CCN(CC(=O)NN)S(=O)(=O)c1ccc(OC)cc1 39985202 NFSXFMBIMOLRNN-UHFFFAOYSA-N 287.341 -0.304 50 40 CBGB O=C(CCl)N([C@H]1CCS(=O)(=O)C1)N1CCOCC1 217382874 LTXVVLNDPJQNFQ-VIFPVBQESA-N 296.776 -0.512 50 40 CBGB CN(C[C@H](O)COC(CCl)CCl)S(=O)(=O)O 3169143 UPQJEHDNBVIVFN-LURJTMIESA-N 296.172 -0.055 50 40 CBGB CNC(=S)NNC(=O)[C@H]1COc2ccccc2O1 3307917 FFQTUXXPWKADMW-SECBINFHSA-N 267.310 -0.049 50 40 CBGB CCOc1ccccc1C(=O)NNC(=O)C(N)=O 5908550 MCMYQPQAWOGZQQ-UHFFFAOYSA-N 251.242 -0.668 50 40 CBGB CN1C(=O)C(C[C@@H]2CC(=O)OC2=O)C(=O)N(C)C1=O 100913464 LSSKGJMHFWUDOL-RXMQYKEDSA-N 268.225 -0.867 50 40 CBGB C/C(N)=C(\C#N)C(=O)CSc1nc(N)cc(=O)[nH]1 95946594 HMHXUBHPRJLZAL-WAYWQWQTSA-N 265.298 -0.230 50 40 CBGB OB(O)c1cccnc1N1CCC2(CC1)OCCO2 200952060 YOCKAXKTVWOOKD-UHFFFAOYSA-N 264.090 -0.895 50 40 CBGB COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2C(C#N)=C[C@H]1N2C 104097480 NOPWINKZLOSIED-ZYUZMQFOSA-N 250.254 -0.289 50 40 CBGB N#CCC(=O)NNC1=NS(=O)(=O)c2ccccc21 3191766 HQWOLVGXKGLQPM-UHFFFAOYSA-N 264.266 -0.330 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1cccs1 3059976 UCOUOGFUJUOQOY-KPKJPENVSA-N 255.299 -0.039 50 40 CBGB O=C(C[C@H]1NCCNC1=O)N/N=C/c1cccc(O)c1 55116682 YTWNWYVCYZIRPJ-FNQVVVRFSA-N 276.296 -0.680 50 40 CBGB O=C1CC[C@@H](N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2=O)C(=O)O1 104156883 QYMWCZUEONNQGM-WISPPRPZSA-N 279.248 -0.619 50 40 CBGB O=C(CCNCCO)NNC(=O)c1ccccc1O 35327230 ITMPLXXSWCDKGU-UHFFFAOYSA-N 267.285 -0.875 50 40 CBGB NNC(=O)[C@@H]1CS[C@H](C(F)(F)F)CC(=O)N1 225807107 RYXMPYXVVQAEJI-IMJSIDKUSA-N 257.237 -0.471 50 40 CBGB O=C(NC(=O)[C@@H](Cl)[N+](=O)[O-])NC(=O)N1CCOCC1 106126990 AGDNQHSREIXVGG-YFKPBYRVSA-N 294.651 -0.894 50 40 CBGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1O 5511622 FVIOOXGDJGUSGZ-OQLLNIDSSA-N 279.296 -0.005 50 40 CBGB CCOC(=O)/C=C(\N)NNC(=O)c1ccncc1 100104690 YOAGMCBLBBBXQO-VQHVLOKHSA-N 250.258 -0.321 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1cccnc1 5511727 UWEBOCPXQJIWLF-RIYZIHGNSA-N 250.258 -0.706 50 40 CBGB NNC(=O)[C@@H]1CS[C@@H](C(F)(F)F)CC(=O)N1 225807074 RYXMPYXVVQAEJI-IUYQGCFVSA-N 257.237 -0.471 50 40 CBGB CCOC(=O)C/C(N)=N/NC(=O)c1cccn1C 3128497 GSDCNWAWMAWCQJ-UHFFFAOYSA-N 252.274 -0.020 50 40 CBGB CCCCCC[C@@H](O)C[C@@H](CC(=O)NN)C(=O)NN 2273670 IPDVVUTUAVQUES-VHSXEESVSA-N 274.365 -0.306 50 40 CBGB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN)cc1C 408552252 KMFIJBJDDFZKDD-QMMMGPOBSA-N 287.341 -0.340 50 40 CBGB NNC(=O)c1ccn(Cn2cc(Br)cn2)n1 2526600 XCMJUFLHSSKEEF-UHFFFAOYSA-N 285.105 -0.049 50 40 CBGB CS(=O)(=O)N1CCc2cc(C(=O)NN)ccc21 223469508 FDNABCNZTYKLEO-UHFFFAOYSA-N 255.299 -0.388 50 40 CBGB Cc1nc(C(=O)N2CCC(C(=O)NN)CC2)co1 226106715 KDSOAAWQHOSHQG-UHFFFAOYSA-N 252.274 -0.175 50 40 CBGB O=c1nc2n(cc1F)[C@H]1O[C@@H](CCl)[C@@H](O)[C@H]1O2 5759108 QBZBYQZLEPKPMT-FJDLHZNMSA-N 262.624 -0.360 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)n1 2317622 MLZIPOWAUJGUED-XCVCLJGOSA-N 296.272 -0.625 50 40 CBGB COCCNC(=O)CC(=O)N/N=C/c1ccccc1O 3062016 QAVUFPMSFSEDCG-OQLLNIDSSA-N 279.296 -0.005 50 40 CBGB O=C(O)c1cc(Br)c(B(O)O)s1 169995180 KUTZPGRTBBQWDH-UHFFFAOYSA-N 250.866 -0.111 50 40 CBGB O=C(CCl)NC[C@@H](NC(=O)CCl)C(=O)O 5502233 GPHZBINZBUJLLC-SCSAIBSYSA-N 257.073 -0.850 50 40 CBGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2cnn(C)c2)C(=O)O1 101540116 NTXPBORLKPVZFP-DHZHZOJOSA-N 290.279 -0.042 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1ccccc1O 51915 NFDBKHSIGXEDPY-LFYBBSHMSA-N 261.245 -0.889 50 40 CBGB CCS(=O)(=O)c1ccc2c(c1)NC[C@H](C(=O)NN)O2 4053210 ZQHSVVOCLFZKMX-SNVBAGLBSA-N 285.325 -0.357 50 40 CBGB Cc1ccc(NNC(=O)C(=O)O[C@@H]2C(=O)OC[C@@H]2O)cc1 16970170 NHMRITOYVDEYFB-UWVGGRQHSA-N 294.263 -0.732 50 40 CBGB CCNC1=NC(=C(C#N)C#N)NC(=C(C#N)C#N)N1 255188788 LQCRZNCZVNXJOV-UHFFFAOYSA-N 252.241 -0.338 50 40 CBGB O=C1C[C@@H](NNC(=O)c2ccc(Cl)cc2)C(=O)N1 554485 HENZMIQWTMJOAH-MRVPVSSYSA-N 267.672 -0.011 50 40 CBGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccnc1 43707 BNDKISADQREDKY-QMMMGPOBSA-N 283.247 -0.324 50 40 CBGB CCN(CC)c1nc(N)nc(N(C)NC(N)=O)n1 4771445 GTRTZYZYURMBLO-UHFFFAOYSA-N 254.298 -0.681 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@H]3C/C(=N/NC(N)=O)[C@@H]4[C@H]3C[C@H]2[C@H]14 104202550 VGAPAJONVCYASD-VASHICTJSA-N 290.327 -0.043 50 40 CBGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1O 5716064 CIOOUDINDLCNAX-VGOFMYFVSA-N 265.269 -0.013 50 40 CBGB COc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1 4838909 RRDRLBXCOCLRAQ-UHFFFAOYSA-N 279.296 -0.019 50 40 CBGB O=C(NCCO)c1nsnc1NCCCl 2239867 IFFHKZADUJHGLP-UHFFFAOYSA-N 250.711 -0.089 50 40 CBGB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN)cc1 3070572 UGKGZXPDNDRWHM-QMMMGPOBSA-N 257.315 -0.348 50 40 CBGB NC(=S)NNC(=O)CNC(=O)c1ccccc1 2555687 DCKOLUZNUPPPHQ-UHFFFAOYSA-N 252.299 -0.719 50 40 CBGB C/C(=N\NC(=O)C(N)=O)c1ccc2c(c1)OCCO2 5163926 KYXULEBBNJVIEG-VGOFMYFVSA-N 263.253 -0.217 50 40 CBGB Cc1c(S(=O)(=O)NNC(=O)c2cnccn2)cnn1C 72401447 GOYMZVGGGRBHOH-UHFFFAOYSA-N 296.312 -0.858 50 40 CBGB NNC(=O)[C@@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 1748570 KDPUFLQCLSBMFC-ZETCQYMHSA-N 293.308 -0.719 50 40 CBGB NNC(=O)c1ccccc1N1CCS(=O)(=O)CC1 1396278 KXLOVNNDDWHDIU-UHFFFAOYSA-N 269.326 -0.475 50 40 CBGB CN1C(=O)[C@]2(C(=O)N[C@@](C)(O)C2(C)C)C(C#N)=C1N 96336919 FORYSCXILAPRAD-NWDGAFQWSA-N 264.285 -0.997 50 40 CBGB COC(=O)[C@H](OCC(=O)OCC(=O)Cl)C(=O)Cl 263583700 UCSVNZFVLYHHBK-ZCFIWIBFSA-N 287.051 -0.381 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1cccc(F)c1F 53644 YYSGDSUFAGDPFB-LNKIKWGQSA-N 281.226 -0.316 50 40 CBGB CC(C)CC(=O)N/N=C/c1c(N)n(C)c(=O)n(C)c1=O 504375 WEZWKSYCZUWFLB-MKMNVTDBSA-N 281.316 -0.838 50 40 CBGB CCOC(=O)/C=C(\N)NNC(=O)c1cccnc1 100335904 DTRWRVLXMHYBFU-RMKNXTFCSA-N 250.258 -0.321 50 40 CBGB O=C(C[C@H]1NC(=O)NC1=O)NNC(=O)c1ccccc1 15057104 PJZCVAXMSWUXPY-MRVPVSSYSA-N 276.252 -0.954 50 40 CBGB NNC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1 4206163 TXWQRUOGUJKVLJ-UHFFFAOYSA-N 250.233 -0.163 50 40 CBGB O=C(C[C@@H]1NCCNC1=O)N/N=C/c1cccc(O)c1 55116684 YTWNWYVCYZIRPJ-AXLKIAQESA-N 276.296 -0.680 50 40 CBGB O=C1Nc2ccccc2/C1=N\NC(=O)[C@@H]1C=NNC1=O 100948957 ITNSVHGJPIUASF-SSDOTTSWSA-N 271.236 -0.809 50 40 CBGB Cn1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)nn1 1327310097 KZTNKQFUBFQBSD-ZETCQYMHSA-N 284.345 -0.897 50 40 CBGB CCCCC[C@H](O)C[C@@H](CC(=O)NN)C(=O)NN 2289081 DDDVPKLZKXDWHK-IUCAKERBSA-N 260.338 -0.696 50 40 CBGB NNC(=O)CSC1=NS(=O)(=O)c2ccccc21 95481831 FIQARBFQLKQROC-UHFFFAOYSA-N 271.323 -0.141 50 40 CBGB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NN 223468497 ZDQMNICCLOOOLS-UHFFFAOYSA-N 287.341 -0.386 50 40 CBGB C/C(N)=C(\C#N)C(=O)COC(=O)C1=NNC(=O)CC1 104357312 HZRAFWSNRPYAPO-SREVYHEPSA-N 264.241 -0.879 50 40 CBGB CC(C)[C@]1(C)NC(c2ncccc2C(=O)NN)=NC1=O 22199118 PILSYCKYRLTXIO-ZDUSSCGKSA-N 275.312 -0.024 50 40 CBGB C[C@@H](O)CC(=O)NNC(=S)NC[C@@H]1CCCO1 16990161 OTYKUJLDKOCEQL-SFYZADRCSA-N 261.347 -0.568 50 40 CBGB O=C(NCCO)C(=O)NNC(=O)c1ccccc1Cl 17083859 IGBQMWSDCOKEFA-UHFFFAOYSA-N 285.687 -0.791 50 40 CBGB CN(C)C1=NC(N)=N/C(=C(\C#N)C(=O)CCl)N1 104795712 SKGHPOGCQBRKHS-ALCCZGGFSA-N 254.681 -0.635 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5511723 FRFDGWRSOMOWDQ-RIYZIHGNSA-N 294.267 -0.193 50 40 CBGB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN)cc1 6929060 CBYMEYONXOKDHB-ZETCQYMHSA-N 273.314 -0.648 50 40 CBGB O=C1O[C@H]2[C@@H](Br)[C@@H]3O[C@@H]2[C@@H]1[C@H]3C(=O)O 100364995 BQMKEGIYBFPWOU-HRANUNHBSA-N 263.043 -0.227 50 40 CBGB COC(=O)[C@H]1[C@H]2O[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br 103980402 JZUHFMQFSNABPH-ZGGPPPIHSA-N 277.070 -0.138 50 40 CBGB C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1cccnc1 1021738 XKJWTOBEKMCMAP-GHXNOFRVSA-N 290.243 -0.218 50 40 CBGB NC(=O)N/N=C(/C(=O)O)c1ccccc1C(=O)O 5583192 VFUTZXCFFZOCBP-KPKJPENVSA-N 251.198 -0.158 50 40 CBGB O=C(O)[C@H]1[C@H]2O[C@H]3[C@H](OO[C@H]13)[C@@H]2Br 104171777 JMQKMTCBJHYVCV-ZVRAWXRESA-N 251.032 -0.069 50 40 CBGB O=C(Cc1nnc(O)[nH]c1=O)N/N=C/c1ccccc1 18145274 PEFHGNDECNCHLI-NTUHNPAUSA-N 273.252 -0.437 50 40 CBGB CNC(=O)CC(=O)NNC(=O)COc1ccc(C)cc1 97163514 NMGQYTCBZLDACS-UHFFFAOYSA-N 279.296 -0.343 50 40 CBGB COc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C 4838908 VPPFQEWVAZWNSV-UHFFFAOYSA-N 279.296 -0.019 50 40 CBGB COCCCNC(=O)C(=O)N/N=C/c1ccco1 5511628 BOJQDNUAZNIJDQ-MDWZMJQESA-N 253.258 -0.118 50 40 CBGB NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 216873067 DNMMPWCLYUJFCV-QMMMGPOBSA-N 277.280 -0.199 50 40 CBGB NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 225499926 OTDISMBHVHIMHB-SNVBAGLBSA-N 299.352 -0.253 50 40 CBGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccco1 19790037 RUUGPPRZIKMERB-WUXMJOGZSA-N 277.240 -0.866 50 40 CBGB N#CCC(=O)N/N=C/c1ccc(OCC(N)=O)cc1 58839975 ZMCKYCIZVCWRCV-VIZOYTHASA-N 260.253 -0.086 50 40 CBGB CCNC(=S)NNC(=O)CCn1cc([N+](=O)[O-])cn1 2112979 DKNKOYKRWXQNHU-UHFFFAOYSA-N 286.317 -0.303 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@@H]3C/C(=N\NC(N)=O)[C@@H]4[C@H]3C[C@H]2[C@@H]14 101377468 VGAPAJONVCYASD-GDDMGUEHSA-N 290.327 -0.043 50 40 CBGB Cc1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)no1 575425584 SVZDWBGDVLMFIM-NKWVEPMBSA-N 293.732 0.509 50 40 CBGB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN)cc1 408589700 FBQGQFZPTPTPNR-QMMMGPOBSA-N 287.341 -0.258 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@H]3C/C(=N\NC(N)=O)[C@@H]4[C@H]3C[C@H]2[C@@H]14 195528780 VGAPAJONVCYASD-WHFNQWTMSA-N 290.327 -0.043 50 40 CBGB O=C(CBr)N[C@@H](C(=O)O)N1C(=O)CCC1=O 1772490879 PWNFXKUAGCABIA-SSDOTTSWSA-N 293.073 -0.943 50 40 CBGB O=C1C[C@H](NNC(=O)c2cccc(F)c2)C(=O)N1 54206 ZUPRPRMCJDARFK-QMMMGPOBSA-N 251.217 -0.525 50 40 CBGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc[nH]c2=O)n1 12891259 KCLSKSXISCAGKO-UHFFFAOYSA-N 289.295 -0.351 50 40 CBGB O=C(C[C@@H]1NCCNC1=O)N/N=C/c1ccco1 55116672 JSPMXZKDUQYMDZ-DUJAKZANSA-N 250.258 -0.792 50 40 CBGB Cc1nnc(SCC(=O)NNC(=O)C(C)C)nc1O 8685892 PAGMMCDSOZJWJM-UHFFFAOYSA-N 285.329 -0.219 50 40 CBGB CC(CCc1ccccc1)(C(=O)NN)C(=O)NN 1600601 YEJDBNBHQRPVJK-UHFFFAOYSA-N 250.302 -0.395 50 40 CBGB CC(=O)NN/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 4739859 CBXPRILSFJWKMU-UITAMQMPSA-N 292.251 -0.617 50 40 CBGB O=C(C[C@H]1SC(=O)NC1=O)NNC(=O)c1ccncc1 1470474 TUZAXGJNUBUZJX-SSDOTTSWSA-N 294.292 -0.416 50 40 CBGB NNC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 12394581 ZUYGADKLWMBZHH-UHFFFAOYSA-N 284.279 -0.428 50 40 CBGB O=C(Cn1cncn1)N/N=C/c1ccc([N+](=O)[O-])o1 3196464 ZMRNITMSGJYDCO-QDEBKDIKSA-N 264.201 -0.070 50 40 CBGB C#CCOC(=O)[C@@H](N)CSSC[C@@H](N)C(=O)O 31870783 CJEMQWXFMIWIHU-RQJHMYQMSA-N 278.355 -0.717 50 40 CBGB NNC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1 66088547 LQAQIQMYBUEFPV-UHFFFAOYSA-N 252.190 -0.569 50 40 CBGB CC(C)(SSC[C@H](N)C(=O)O)[C@@H](N)C(=O)O 5357469 BOTADXJBFXFSLA-WHFBIAKZSA-N 268.360 -0.030 50 40 CBGB in-vitro NC(=O)N/N=C1/C[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C/C(=N/NC(N)=O)[C@H]4[C@H]13 102310946 VGAPAJONVCYASD-CUSCSKGUSA-N 290.327 -0.043 50 40 CBGB NNC(=O)c1ccc(CNC(=O)CCC(=O)O)cc1 3055254 PLUBIBCSJQWBGW-UHFFFAOYSA-N 265.269 -0.229 50 40 CBGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)C(N)=O)c1 5505633 BIDXFTKOIIAFMB-VIZOYTHASA-N 262.269 -0.030 50 40 CBGB COc1ccc(C(=O)NNC(=O)C2=NNC(=O)CC2)cc1 6052884 HXMRFNXZEIESOJ-UHFFFAOYSA-N 290.279 -0.278 50 40 CBGB Cc1nn(C)cc1C(=O)NNC(=S)NC1CC1 2788482 BRKRFVFVRWORFD-UHFFFAOYSA-N 253.331 0.000 50 40 CBGB Cc1ccc(NNC(=O)C(=O)O[C@H]2C(=O)OC[C@@H]2O)cc1 4430101 NHMRITOYVDEYFB-VHSXEESVSA-N 294.263 -0.732 50 40 CBGB NC(=O)N/N=C1\C/C(=N\NC(N)=O)c2ccccc21 5905941 UGPGBCVUCXMCHA-VOMDNODZSA-N 260.257 -0.165 50 40 CBGB CC(=O)NNC(=O)CN1C(=O)COc2ccccc21 19988181 NAFGHOKZSADHPV-UHFFFAOYSA-N 263.253 -0.421 50 40 CBGB CCOC(=O)[C@H]1CSSC[C@@H](N)C(=O)N1 1708697 JXIJTMGDLYLWMF-PHDIDXHHSA-N 250.345 -0.243 50 40 CBGB CCOC(=O)CCN[C@H]1N[C@@H](Cl)N[C@@H](C)[C@H]1[N+](=O)[O-] 19326232 ACLUZUPIYNMEGN-NORCUCSASA-N 294.739 -0.396 50 40 CBGB N=C(Cn1cncn1)NNC(=O)C(=O)Nc1ccccc1 3470278 QYRSZRBIJNHCNO-UHFFFAOYSA-N 287.283 -0.485 50 40 CBGB CCOC(=O)N([C@@H]1CS(=O)(=O)C[C@H]1O)N(C)C 217389071 IIOVWTJWZQFSLB-HTQZYQBOSA-N 266.319 -0.921 50 40 CBGB O=C(Cn1cnnn1)NNC(=O)c1ccccc1F 996011 SLFRUUWAMIJHOD-UHFFFAOYSA-N 264.220 -0.727 50 40 CBGB C/C(=N\NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccccc1O 5183951 WEZRXPBYQJPXBV-FRKPEAEDSA-N 288.263 -0.077 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1O 3059959 CGDICVUSSCDQIL-OVCLIPMQSA-N 295.295 -0.387 50 40 CBGB CCOC(=O)NC(=O)/C(C#N)=C\NN1CCOCC1 100219596 DNTPCMFGZXBGBE-HJWRWDBZSA-N 268.273 -0.497 50 40 CBGB O=C(Cc1nnn[nH]1)N/N=C/c1ccc(O)cc1O 18192080 IWIYZOAHEMGOOS-VZUCSPMQSA-N 262.229 -0.696 50 40 CBGB CN(N=O)C(=O)N[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1CO 5124760 RTJHWSOESQFUKS-FKSUSPILSA-N 275.261 -0.454 50 40 CBGB O=C(Cn1cnnn1)NNC(=O)c1cc(F)ccc1F 2739178 KYPXCEFKWQAHSD-UHFFFAOYSA-N 282.210 -0.588 50 40 CBGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(C)C1=O 2302078 YZWGMLVPEAAMHS-SREVYHEPSA-N 268.273 -0.611 50 40 CBGB CN(N=O)C(=O)N[C@@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1CO 5124762 RTJHWSOESQFUKS-DKXJUACHSA-N 275.261 -0.454 50 40 CBGB CN1CCN(CCC(=O)NNC(=O)C(C)(C)C)CC1 19370586 KUMGFTYFZNTSHJ-UHFFFAOYSA-N 270.377 -0.183 50 40 CBGB Nc1nonc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1885520 BZEPJPZUELCMEC-XCVCLJGOSA-N 266.173 -0.083 50 40 CBGB CCn1cc(N)c(C(=O)NNC(=S)NC2CC2)n1 2787859 ZEGLVEVTKHWCLR-UHFFFAOYSA-N 268.346 -0.244 50 40 CBGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC(N)=O 3572413 VXLOYCCKISTHOC-GIDUJCDVSA-N 280.284 -0.048 50 40 CBGB O=C(CCl)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 39287177 MEUVPPHJTSAVAU-UWVGGRQHSA-N 294.804 -0.007 50 40 CBGB CN(C[C@H](O)COC[C@@H](Cl)CCl)S(=O)(=O)O 101115018 VFUPRVHWQUKNNB-BQBZGAKWSA-N 296.172 -0.055 50 40 CBGB NNC(=O)c1cnc(COc2ccccc2)[nH]c1=O 223453857 VWEOMMWNAKQTCP-UHFFFAOYSA-N 260.253 -0.048 50 40 CBGB CNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 8091874 SPKFMQBUEGUCRI-AWNIVKPZSA-N 251.242 -0.403 50 40 CBGB N#Cc1ncn(CC(=O)NNC(=O)c2ccc(F)cc2)n1 14143330 BVUXCRZONPKYKI-UHFFFAOYSA-N 288.242 -0.250 50 40 CBGB O=C1CC[C@@H](N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(=O)O1 104156885 QYMWCZUEONNQGM-RXMKQEINSA-N 279.248 -0.619 50 40 CBGB C=CCNC(=S)NNC(=O)CCN1CCOCC1 19882139 QZKORPOAGPXXPQ-UHFFFAOYSA-N 272.374 -0.610 50 40 CBGB NC(=O)/C=C(\C(N)=O)N(CCCl)CCCl 1695823 IHQXLCPWMUDDQL-AATRIKPKSA-N 254.117 -0.380 50 40 CBGB CCc1nnsc1C(=O)NNC(=O)CN(C)C 95946791 DKWBPWGLBBGMMR-UHFFFAOYSA-N 257.319 -0.577 50 40 CBGB C[C@]12CCCC[C@@]1(O)NC(=O)[C@]21C(=O)NC(N)=C1C#N 100252913 BFMIBMWCULQSAE-AVGNSLFASA-N 276.296 -0.805 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C/C(=N\NC(N)=O)[C@@H]4[C@H]3C[C@H]2[C@@H]14 195528781 VGAPAJONVCYASD-WRBOJODASA-N 290.327 -0.043 50 40 CBGB O=S1(=O)C[C@H](NC(=S)OC[C@@H]2CO2)[C@@H](Cl)C1 40168286 MYVICXDRKWPYLR-ACZMJKKPSA-N 285.774 -0.319 50 40 CBGB CCN1C[C@H](O)C2=C/C(=N/NC(N)=O)C(=O)C=C21 104177768 BRUKJCRRYWAIEJ-BNDQCTAISA-N 250.258 -0.900 50 40 CBGB NNC(=O)Cn1nnc(Cn2cnc(Cl)c2Cl)n1 2169242 SUTXXBOGOMSQPL-UHFFFAOYSA-N 291.102 -0.785 50 40 CBGB CON(C)C(=O)c1cc(Br)cc(B(O)O)c1 642814916 NCZIVIZDAGCJJB-UHFFFAOYSA-N 287.906 -0.238 50 40 CBGB Cc1ccc(NNC(=O)C(=O)O[C@@H]2C(=O)OC[C@H]2O)cc1 1608935 NHMRITOYVDEYFB-ZJUUUORDSA-N 294.263 -0.732 50 40 CBGB NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 216873106 DNMMPWCLYUJFCV-MRVPVSSYSA-N 277.280 -0.199 50 40 CBGB NNC(=O)[C@H]1CS[C@@H](C(F)(F)F)CC(=O)N1 225807089 RYXMPYXVVQAEJI-QWWZWVQMSA-N 257.237 -0.471 50 40 CBGB NNC(=O)CSc1nnc(-c2cccnc2)n1CCO 10312618 WXICVTODBZLFOD-UHFFFAOYSA-N 294.340 -0.586 50 40 CBGB NNC(=O)c1cc([N+](=O)[O-])c(NN)c([N+](=O)[O-])c1 26508788 BETOSZXCLGBSAT-UHFFFAOYSA-N 256.178 -0.608 50 40 CBGB O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=S)NC1CC1 2778121 HWKLYEVOYXKJGV-UHFFFAOYSA-N 284.301 -0.551 50 40 CBGB COCCNC(=O)C(=O)N/N=C\c1cccc(OC)c1 59515399 UPJDJCPFXCSIEC-DHDCSXOGSA-N 279.296 -0.092 50 40 CBGB CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CCl 13534036 RSLPGWDVPNKNMZ-ZETCQYMHSA-N 262.693 -0.495 50 40 CBGB C/C(=C(\C#N)C(=O)NCCN1CCOCC1)N(C)C 19939277 GGEOULLTGBVUDY-QXMHVHEDSA-N 266.345 -0.206 50 40 CBGB CC1CCN(S(=O)(=O)C(C)(C)C(=O)NN)CC1 62702133 FOOKXYBUXIFICZ-UHFFFAOYSA-N 263.363 -0.183 50 40 CBGB C[C@]12CCCC[C@]1(O)NC(=O)[C@]21C(=O)NC(N)=C1C#N 100252905 BFMIBMWCULQSAE-XQQFMLRXSA-N 276.296 -0.805 50 40 CBGB CN(C)NC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167729 YFXSKXABSXOKBN-NTSWFWBYSA-N 271.795 -0.669 50 40 CBGB COCCNC(=O)C(=O)NNC(=O)c1cccs1 5355733 BPRJVLXHWHUECR-UHFFFAOYSA-N 271.298 -0.728 50 40 CBGB COc1ccc(/C=N/NC(=O)CCC(=O)NN)cc1 27986383 PXHMYPHRAFWZEQ-RIYZIHGNSA-N 264.285 -0.085 50 40 CBGB CN(C)C(=O)c1cc(Br)cc(B(O)O)c1 642814786 BZEGXLMCTGKRCY-UHFFFAOYSA-N 271.907 -0.169 50 40 CBGB CC(C)(O)C(=O)NNC(=S)NC[C@@H]1CCCO1 6823090 ZFJDTNCYNGODJO-ZETCQYMHSA-N 261.347 -0.568 50 40 CBGB CC(=O)NNS(=O)(=O)c1cccc2nonc12 2279697 OFIJNVDZDMHZMA-UHFFFAOYSA-N 256.243 -0.448 50 40 CBGB NNC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 4052794 QLKBECRQPSPFEV-UHFFFAOYSA-N 269.326 -0.475 50 40 CBGB CCOC(=O)c1cc(B(O)O)cc(C(=O)OCC)n1 198023817 GCUBELFCYUBRFE-UHFFFAOYSA-N 267.046 -0.885 50 40 CBGB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NN)cc1 6931613 CBYMEYONXOKDHB-SSDOTTSWSA-N 273.314 -0.648 50 40 CBGB NNC(=O)C[C@@H](C(=O)NN)c1ccccc1Cl 57351467 XHRFFNXWMXAOIB-SSDOTTSWSA-N 256.693 -0.207 50 40 CBGB CC(C)(C(=O)NN)S(=O)(=O)N1CCCCCC1 62702137 RFSKPGYJOXFQRL-UHFFFAOYSA-N 263.363 -0.039 50 40 CBGB C[C@@H]1CCc2c(sc3nnn(CC(=O)NN)c(=O)c23)C1 1784819 MDUWNPSSROZBTF-ZCFIWIBFSA-N 293.352 -0.032 50 40 CBGB CN1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101319094 JAKDZJVSEIUEES-SSJRDSBISA-N 282.774 -0.048 50 40 CBGB CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CO)C1 95465035 IGYBFLCWNBWDOQ-SECBINFHSA-N 271.317 -0.835 50 40 CBGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)c1ccncc1 1470473 TUZAXGJNUBUZJX-ZETCQYMHSA-N 294.292 -0.416 50 40 CBGB NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 4155782 QBNDDTBHSMBWGL-NYYWCZLTSA-N 252.186 -0.764 50 40 CBGB C=CCN1C(=O)/C(=C(\CC)NNC(N)=O)C(=O)N=C1O 16956827 NNKYDHKHVRHVFN-VOTSOKGWSA-N 281.272 -0.708 50 40 CBGB CCCCC[C@@]1(/C=N\NC(N)=O)NC(=O)NC1=O 17284529 ZCLCFAMELJXQJI-OGGBREFQSA-N 255.278 -0.201 50 40 CBGB Cc1noc(C)c1S(=O)(=O)NNC(=O)c1cnccn1 71280079 SITWPEAUWWEDNY-UHFFFAOYSA-N 297.296 -0.295 50 40 CBGB COc1cc(/C=N/NC(=O)C2=NNC(=O)[C@H]2C)ccc1O 101646872 CAKHHBKJGKGAJZ-GYXDYACRSA-N 290.279 -0.027 50 40 CBGB CCS(=O)(=O)c1ccc2c(c1)NC[C@@H](C(=O)NN)O2 1395434 ZQHSVVOCLFZKMX-JTQLQIEISA-N 285.325 -0.357 50 40 CBGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccncc1 5605215 RGYBXHXONVXKOD-AXLKIAQESA-N 276.296 -0.173 50 40 CBGB Cn1c(CBr)c(C=O)c(=O)n(C)c1=O 17744443 BKLTTZCOWLBENK-UHFFFAOYSA-N 261.075 -0.209 50 40 CBGB O=C(N/N=C/c1cc(=O)[nH]c(=O)[nH]1)c1ccccc1 1697908 GEJLLVASEIQCAC-NTUHNPAUSA-N 258.237 -0.173 50 40 CBGB NNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 2568615 PZXLKNUDRRLMPR-UHFFFAOYSA-N 262.229 -0.162 50 40 CBGB CCNC(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 5598019 SKLUCZIJCNIVCA-JTQLQIEISA-N 277.284 -0.075 50 40 CBGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NN 6844636 JNHXIIHLKPHULD-UHFFFAOYSA-N 287.341 -0.386 50 40 CBGB CC(=O)NNC(=O)CSc1nnc(C)c(O)n1 12833661 NXSHLQSQLYIUFP-UHFFFAOYSA-N 257.275 -0.855 50 40 CBGB O=C(CCl)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 39287178 MEUVPPHJTSAVAU-NXEZZACHSA-N 294.804 -0.007 50 40 CBGB N=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)N[N+](=O)[O-] 1577967 ADTLWTBVHRBGQB-UHFFFAOYSA-N 268.189 -0.455 50 40 CBGB C/C(N)=C(\C#N)C(=O)COC(=O)C1=COCCO1 104630006 FMMMLULNFYWARD-FPLPWBNLSA-N 252.226 -0.257 50 40 CBGB O=C(CCl)NNC(=O)C[C@H]1CCS(=O)(=O)C1 4218384 MGCDVZHSWZKVDZ-ZCFIWIBFSA-N 268.722 -0.803 50 40 CBGB COc1cccc(/C=N\NC(=O)C2=NNC(=O)[C@@H]2C)c1O 100371499 IHAXRNJDKYABKN-UNDSANKCSA-N 290.279 -0.027 50 40 CBGB CC(C)(C)c1nnc(NNC(=O)CCl)n(N)c1=O 27525682 ACUYSXOWNFMHAO-UHFFFAOYSA-N 274.712 -0.669 50 40 CBGB Cc1[nH]c2ccc(C(=O)NN)cc2c1CC(=O)NN 1598644 RUPVIDPMUMULPN-UHFFFAOYSA-N 261.285 -0.388 50 40 CBGB NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NN 85345210 ALDHDRAEQSDWRM-UHFFFAOYSA-N 256.178 -0.608 50 40 CBGB O=C(CCl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 20268503 RRUBKTSBNZCODS-VIFPVBQESA-N 280.777 -0.444 50 40 CBGB in-vitro O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)OC[C@@H]2CO2)C1 216182661 MYVICXDRKWPYLR-XVMARJQXSA-N 285.774 -0.319 50 40 CBGB CCNc1nc(S[C@H](C)C(=O)NN)nc(N(C)C)n1 1419236 XFFHLBQPRCVARD-ZCFIWIBFSA-N 285.377 -0.160 50 40 CBGB CCOC(=O)[C@H]1C=C(C#N)O[C@@](NC(C)=O)(C(=O)OC)C1 4267369 WBGINSIKQAYBGO-TVQRCGJNSA-N 296.279 -0.001 50 40 CBGB C[C@@H]1[C@@]2(C(=O)NC(N)=C2C#N)C(=O)N[C@]1(O)c1ccccc1 100253550 IAWKKRFIJOXXHV-KBOAJJQZSA-N 298.302 -0.592 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1 3088330 UPJDJCPFXCSIEC-OQLLNIDSSA-N 279.296 -0.092 50 40 CBGB NNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 4015355 KOZWHQPRAOJMBN-ZXFLCMHBSA-N 258.347 -0.298 50 40 CBGB biogenic COCc1cc(CC(C)=O)nc(C/C=N/NC(N)=O)n1 5601993 HSSRUAKGMOOFAP-LNKIKWGQSA-N 279.300 -0.049 50 40 CBGB COc1ccccc1[C@H](O)Cn1cnc(C(=O)NN)n1 98210960 XDSOGJOGFZYDSG-SECBINFHSA-N 277.284 -0.376 50 40 CBGB O=C(O)/C=C\C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 100921456 ADRBOUHHCXLSOZ-WAYWQWQTSA-N 279.208 -0.003 50 40 CBGB CNC(=S)NNC(=O)[C@@H]1COc2ccccc2O1 3307919 FFQTUXXPWKADMW-VIFPVBQESA-N 267.310 -0.049 50 40 CBGB NNC(=O)c1oc2ccccc2c1CN(CCO)CCO 1580103 QTZVMQRGCCJNKQ-UHFFFAOYSA-N 293.323 -0.177 50 40 CBGB NNC(=O)C[C@@H](C(=O)NN)c1ccc(Cl)cc1 57351474 CSMGNJVZCGWNCR-MRVPVSSYSA-N 256.693 -0.207 50 40 CBGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@@H]2[C@@H]2[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 100945033 QYIOZTGZGGRHAI-UGDOAIIHSA-N 274.228 -0.320 50 40 CBGB Cc1ccn(CC(=O)NNC(=S)NC[C@@H]2CCCO2)n1 2747858 VURABUDUHOMHKU-JTQLQIEISA-N 297.384 -0.134 50 40 CBGB NNC(=O)C[C@H](C(=O)NN)c1ccc(Cl)cc1 57351477 CSMGNJVZCGWNCR-QMMMGPOBSA-N 256.693 -0.207 50 40 CBGB COCCNC(=O)CC(=O)N/N=C/c1cccnc1 59516143 XHWQACPMUMJKDT-OQLLNIDSSA-N 264.285 -0.316 50 40 CBGB C#CCN1CCCC[C@H]1C(=O)NNC(=O)NCC 68451427 CUVNDQCAJUTDKL-JTQLQIEISA-N 252.318 -0.176 50 40 CBGB CCCCN1C(=O)C(=O)N(CC(=O)/C(C#N)=C(\C)N)C1=O 102955959 RWRXNJAZWAAGRQ-CMDGGOBGSA-N 292.295 -0.097 50 40 CBGB CN1/C(=N/C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 9531223 JAKDZJVSEIUEES-WEYCPKQKSA-N 282.774 -0.048 50 40 CBGB O=C(N/N=C/c1cc(=O)[nH]c(O)n1)c1ccncc1 1868219 YXQIEUBNIXVKED-AWNIVKPZSA-N 259.225 -0.366 50 40 CBGB COc1cc(/C=N/NC(=O)CCC(=O)NN)ccc1O 27986394 JMCCCGWMBLBCKS-VGOFMYFVSA-N 280.284 -0.379 50 40 CBGB COc1ccc([C@H]2C(C#N)=C(N)NC(=O)[C@@H]2C(N)=O)cc1 1578347 SHIIORLXEPYDLV-QWRGUYRKSA-N 286.291 -0.296 50 40 CBGB COCCCNC(=S)NNC(=O)Cn1ccc(C)n1 2785000 WGAYSIUYDUFSJN-UHFFFAOYSA-N 285.373 -0.277 50 40 CBGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 59506640 CSZWWRWKVIFXDP-VGOFMYFVSA-N 265.269 -0.100 50 40 CBGB CN(CN(CN(CCl)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 104128718 GVAYJNGBOXNOJI-UHFFFAOYSA-N 272.605 -0.791 50 40 CBGB O=C(Cn1cnnn1)NNC(=O)c1c(F)cccc1F 2738566 BBIJAXNMSKOASW-UHFFFAOYSA-N 282.210 -0.588 50 40 CBGB CN1CC[C@@H](C(=O)NNC(=O)c2ccccn2)CC1=O 44268560 PQVPLYVHGKRAOT-SECBINFHSA-N 276.296 -0.289 50 40 CBGB N/C(=N\OC(=O)CCl)c1nonc1NC(=O)CCl 97962511 SFDYORZIEZMJMP-UHFFFAOYSA-N 296.070 -0.351 50 40 CBGB O=C1Nc2ccccc2/C1=N\NC(=O)[C@H]1C=NNC1=O 100948959 ITNSVHGJPIUASF-ZETCQYMHSA-N 271.236 -0.809 50 40 CBGB CCN1C[C@H](O)C2=C/C(=N\NC(N)=O)C(=O)C=C21 104177764 BRUKJCRRYWAIEJ-JLATVTFTSA-N 250.258 -0.900 50 40 CBGB C/C(=N\NC(=O)Cn1nnnc1N)c1ccccc1 4897712 BUILVWPFBPJCCM-MDWZMJQESA-N 259.273 -0.204 50 40 CBGB Cc1ccc(NNC(=O)C(=O)O[C@H]2C(=O)OC[C@H]2O)cc1 17285088 NHMRITOYVDEYFB-NXEZZACHSA-N 294.263 -0.732 50 40 CBGB COc1ccc([C@@H](CC(=O)NN)C(=O)NN)cc1 57351459 LPUICHGYIIINPZ-SECBINFHSA-N 252.274 -0.851 50 40 CBGB O=C1CC[C@@H](N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C(=O)O1 104156879 QYMWCZUEONNQGM-CTNSIQBBSA-N 279.248 -0.619 50 40 CBGB COC(=O)[C@@H](CC(=O)C=[N+]=[N-])NC(=O)C(Cl)Cl 104127658 GYZSBCLHSCRIPE-RXMQYKEDSA-N 282.083 -0.292 50 40 CBGB COc1cccc(NCc2n[nH]c(CC(=O)NN)n2)c1 40175878 WLWDMHJEUDTZGI-UHFFFAOYSA-N 276.300 -0.042 50 40 CBGB COCCNC(=O)CC(=O)N/N=C\c1ccc(O)cc1 58885164 SAHDWKUQAZKQCX-DHDCSXOGSA-N 279.296 -0.005 50 40 CBGB CNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59371664 IXKATTIXCKBQCC-WUXMJOGZSA-N 250.214 -0.209 50 40 CBGB Cc1ccc(/C=N\NC(=O)CCc2n[nH]c(=O)[nH]c2=O)o1 13114042 KOBLLRKXUXQYJM-MLPAPPSSSA-N 291.267 -0.557 50 40 CBGB C/C(=N\NC(=O)c1ccncc1)c1c(O)[nH]c(=O)[nH]c1=O 100116912 IKPBHYUQVLJQEZ-OMCISZLKSA-N 289.251 -0.682 50 40 CBGB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NN 223468217 SLNXPCMICLALRE-UHFFFAOYSA-N 291.304 -0.555 50 40 CBGB C[C@@H](I)C/N=C1\NCC(=O)N1 2047982 KXKLERWFXYGJDG-SCSAIBSYSA-N 267.070 -0.115 50 40 CBGB CC(=O)NCCC(=O)NNC(=O)COc1ccc(F)cc1 6509311 KLHYVNDNHRKZJE-UHFFFAOYSA-N 297.286 -0.122 50 40 CBGB CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C)cc1 17050890 UNCBDJLPYNJEHP-UHFFFAOYSA-N 285.325 -0.559 50 40 CBGB NC(=S)NNC(=O)Cc1ccc2c(c1)OCO2 15423298 YIKBBONKUAGZGK-UHFFFAOYSA-N 253.283 -0.178 50 40 CBGB COC(=O)[C@@H]1CN(C(=O)CCl)CCN1C(C)=O 79419957 ZUQOUXUNPQJUOL-QMMMGPOBSA-N 262.693 -0.543 50 40 CBGB CO[Si](CCCNC(=O)CNC(C)=O)(OC)OC 216078506 DGAPUEBMCJRLAQ-UHFFFAOYSA-N 278.381 -0.493 50 40 CBGB COc1ccc([C@@H]2C(C#N)=C(N)NC(=O)[C@@H]2C(N)=O)cc1 1578346 SHIIORLXEPYDLV-MNOVXSKESA-N 286.291 -0.296 50 40 CBGB Cc1nc(C(=O)N2CCC[C@@H](C(=O)NN)C2)co1 226106768 ACWFINCJYZTYLD-MRVPVSSYSA-N 252.274 -0.175 50 40 CBGB O[C@H](CCl)CN1CCN(C[C@@H](O)CCl)CC1 19364766 LQOMYIZRPNPJDB-AOOOYVTPSA-N 271.188 -0.197 50 40 CBGB O=C(CCl)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 39287176 MEUVPPHJTSAVAU-VHSXEESVSA-N 294.804 -0.007 50 40 CBGB Cn1nnnc1SCC(=O)NNC(=O)c1ccccc1 3530181 IHTYXLIKTJENLU-UHFFFAOYSA-N 292.324 -0.237 50 40 CBGB COc1cc(Cl)cc(/C=N/NC(=O)C(N)=O)c1O 6735579 KGZHKFIGXIPIFF-YIXHJXPBSA-N 271.660 -0.010 50 40 CBGB NNC(=O)c1cn(C[C@H](O)c2ccccc2F)nn1 98211159 NGCUGQQXCWCQKE-JTQLQIEISA-N 265.248 -0.246 50 40 CBGB C=CCN1C(=O)NC(=O)/C(=C/NNC(=O)CCCC)C1=O 2293448 BIHIXNIJVAGYEF-HJWRWDBZSA-N 294.311 -0.054 50 40 CBGB Cc1cccc(C)c1OCC(=O)NCC(=O)NN 32579480 RZHMUDIVAJSYMN-UHFFFAOYSA-N 251.286 -0.212 50 40 CBGB CN1C(=O)/C(=N/NC(=O)c2nonc2N)c2ccccc21 101655588 HFYAGTNIWQEXLC-RIYZIHGNSA-N 286.251 -0.238 50 40 CBGB C[C@@H]1[C@@H](/C=N/NC(N)=O)C(N)=C(C#N)C1(C#N)C#N 4730227 LXSXZMCBMRMXKI-MPOXIUIZSA-N 257.257 -0.324 50 40 CBGB NC(=S)NNC(=O)Cc1ccc2c(c1)OCCO2 15423300 ADSZGQWMPMWHHS-UHFFFAOYSA-N 267.310 -0.135 50 40 CBGB CC(C)(C)OC(=O)NNCC(=O)ON1C(=O)CCC1=O 146890576 HVSWNFDRECNCOE-UHFFFAOYSA-N 287.272 -0.377 50 40 CBGB C[C@@H](O)CC(=O)NNC(=S)NC[C@H]1CCCO1 16990167 OTYKUJLDKOCEQL-HTQZYQBOSA-N 261.347 -0.568 50 40 CBGB COC(=O)c1ccc(/C=N/NC(=O)[C@H]2C=NNC2=O)cc1 100948878 PDMRPVVTQQZSDJ-GCIHHOABSA-N 288.263 -0.345 50 40 CBGB OB(O)c1ccc(-c2ncn([C@H]3CCCCO3)n2)nc1 642882519 GSVGTTUMAIUCPF-LLVKDONJSA-N 274.089 -0.281 50 40 CBGB NNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 5569992 KPJXIKRFVKXWGW-UHFFFAOYSA-N 277.733 -0.002 50 40 CBGB C[C@H](C(=O)NNC(N)=S)N1C(=O)c2ccccc2C1=O 59963482 BPOQOWVAZWZWDS-ZCFIWIBFSA-N 292.320 -0.465 50 40 CBGB O=C(O)/C=C/C(=O)NNC(=S)NCc1ccco1 2697406 MLKGSQRCJNGEGI-ONEGZZNKSA-N 269.282 -0.084 50 40 CBGB CCOC(=O)[C@@H]1C=C(C#N)O[C@](NC(C)=O)(C(=O)OC)C1 4267372 WBGINSIKQAYBGO-RNCFNFMXSA-N 296.279 -0.001 50 40 CBGB Cn1ccnc1P(=O)(c1nccn1C)c1nccn1C 103707530 JEOJOJBAMQXQII-UHFFFAOYSA-N 290.267 -0.474 50 40 CBGB COC(=O)[C@@H]1[C@@H]2C(=O)O[C@H]3[C@@H]2O[C@H]1[C@H]3Br 103980409 JZUHFMQFSNABPH-IPQSZEQASA-N 277.070 -0.138 50 40 CBGB C#CCOC(=O)[C@H](N)CSSC[C@@H](N)C(=O)O 31870781 CJEMQWXFMIWIHU-RNFRBKRXSA-N 278.355 -0.717 50 40 CBGB COc1cc(/C=N/NC(=O)C(N)=O)cc(OC)c1O 2653749 AKAXNWOBIKSWCH-WLRTZDKTSA-N 267.241 -0.655 50 40 CBGB O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=S)NC1CC1 2778524 MAGYSFXZIPYIGQ-UHFFFAOYSA-N 298.328 -0.161 50 40 CBGB Cc1nn(Cn2ccc(C(=O)NN)n2)c(C)c1[N+](=O)[O-] 2536992 YOJLHFBCWOAFRX-UHFFFAOYSA-N 279.260 -0.286 50 40 CBGB CCOC(=O)C1=C(N)[C@@H](OC=O)NC(Cl)=C1C#N 19908325 MPHVUTDUIBUXHN-SECBINFHSA-N 271.660 -0.161 50 40 CBGB Cc1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)no1 575425585 SVZDWBGDVLMFIM-RNFRBKRXSA-N 293.732 0.509 50 40 CBGB O=C(O)[C@H]1[C@H]2O[C@H]3[C@@H](OC(=O)[C@@H]31)[C@H]2Br 100365002 BQMKEGIYBFPWOU-RTWKJESVSA-N 263.043 -0.227 50 40 CBGB COc1cccc(/C=N/NC(=O)C(N)=O)c1OC 3575376 GEZJXEZMLVILEJ-AWNIVKPZSA-N 251.242 -0.361 50 40 CBGB COc1cccc(OC)c1/C=N/NC(=O)C(N)=O 6583649 JKBQFZBDHUTYIQ-AWNIVKPZSA-N 251.242 -0.361 50 40 CBGB Cc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1 82412005 IGJZEHMCJSXFLU-UHFFFAOYSA-N 260.253 -0.150 50 40 CBGB CCOC(=O)C1=C(/C=N/NC(N)=O)C(C)(C)OC1=O 4728986 AYGKVHZYLHGLLT-WLRTZDKTSA-N 269.257 -0.164 50 40 CBGB O=C(CN1C(=O)CSC1=O)NNC(=O)c1ccncc1 15057087 KPPAYGDQDIDBLF-UHFFFAOYSA-N 294.292 -0.462 50 40 CBGB Cc1ccc(S(=O)(=O)NCC(=O)NN(C)C)cc1 95116897 PTBXKINXQNUZRT-UHFFFAOYSA-N 271.342 -0.134 50 40 CBGB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NN)cc1 6376461 LSIMQIADLAUODF-UHFFFAOYSA-N 287.341 -0.258 50 40 CBGB C[C@@H](C(=O)NNC(N)=S)N1C(=O)c2ccccc2C1=O 59963476 BPOQOWVAZWZWDS-LURJTMIESA-N 292.320 -0.465 50 40 CBGB NNC(=O)c1nc(C(=O)NN)c(Cl)c(O)c1Cl 67351057 WPJJNDKCLMZLDX-UHFFFAOYSA-N 280.071 -0.699 50 40 CBGB CC(=O)NNC(=O)CN1C(=O)COc2ccc(C)cc21 19988201 IGIMRRHSFZGPQN-UHFFFAOYSA-N 277.280 -0.112 50 40 CBGB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NN 33422713 KCRAOPFDBSONOL-QMMMGPOBSA-N 287.341 -0.340 50 40 CBGB COCCNC(=O)C(=O)NNC(=O)Cc1ccccc1 2394428 UMLQPEIKNIKXCO-UHFFFAOYSA-N 279.296 -0.861 50 40 CBGB COc1cccc(/C=N/NC(=O)Cn2cnnn2)c1OC 2773879 QDFVMXDJQCOQRP-AWNIVKPZSA-N 290.283 -0.159 50 40 CBGB O=c1nc2n(cc1F)[C@@H]1O[C@@H](CCl)[C@@H](O)[C@H]1O2 5759109 QBZBYQZLEPKPMT-LENIQADQSA-N 262.624 -0.360 50 40 CBGB Cc1c(NC(=O)C(=O)NN)c(=O)n(-c2ccccc2)n1C 2786428 BGAGQPYPLOSULP-UHFFFAOYSA-N 289.295 -0.587 50 40 CBGB CN(CC(=O)NN)S(=O)(=O)c1ccc(Cl)cc1 3269731 ZNEMQMKLKHLXMX-UHFFFAOYSA-N 277.733 -0.050 50 40 CBGB C[C@@H](C(=O)NN)N1CCN(C(=O)OC(C)(C)C)CC1 72329865 SDHIHUUNGDRWRO-VIFPVBQESA-N 272.349 -0.083 50 40 CBGB O=C(O)/C=C\C(=O)NNC(=O)c1ccccc1O 100319300 YFYDBSIHPGSBLF-WAYWQWQTSA-N 250.210 -0.206 50 40 CBGB C/C(N)=C(\C#N)C(=O)COC(=O)c1nccnc1N 103116564 BGTMEKOIPTYWJZ-SREVYHEPSA-N 261.241 -0.459 50 40 CBGB CC[C@@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2cn[nH]c2)O1 79094903 HZFYLSZXJCHING-APPZFPTMSA-N 288.329 -0.323 50 40 CBGB CNC(=S)NNC(=O)CCn1cc([N+](=O)[O-])cn1 2780724 SYEQQEMYTXWMHZ-UHFFFAOYSA-N 272.290 -0.694 50 40 CBGB C/C(=N\NC(=O)[C@H]1C=NNC1=O)c1ccc(O)cc1 100948966 XMVYVFYMYONXRZ-UQDQQJHMSA-N 260.253 -0.036 50 40 CBGB COCCCNS(=O)(=O)c1cccc(C(=O)NN)c1 225499630 RCSPGZBXVPPLJZ-UHFFFAOYSA-N 287.341 -0.395 50 40 CBGB NNC(=O)c1ccccc1C#CCN1CCOCC1 19898113 FSYCPNZDYONPRY-UHFFFAOYSA-N 259.309 -0.026 50 40 CBGB CCN(CC(=O)NN)S(=O)(=O)c1ccccc1 39985141 PNOUBTFQOAJWHB-UHFFFAOYSA-N 257.315 -0.313 50 40 CBGB COCCNC(=O)CC(=O)N/N=C/c1ccncc1 59459623 OVRUQMGBYVXAKA-OQLLNIDSSA-N 264.285 -0.316 50 40 CBGB NNC(=O)[C@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 1748573 KDPUFLQCLSBMFC-SSDOTTSWSA-N 293.308 -0.719 50 40 CBGB CO[Si](OC)(OC)O[Si](OC)(OC)OC 195764604 XOAJIYVOSJHEQB-UHFFFAOYSA-N 258.375 -0.247 50 40 CBGB O=C(N/N=C/c1ccc(O)cc1O)c1cnc[nH]c1=O 3124136 OWOVVYUUQPKKJD-SYZQJQIISA-N 274.236 -0.055 50 40 CBGB O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)c1ccccc1 33023921 RSBGSAXWRWJMRJ-SECBINFHSA-N 290.279 -0.564 50 40 CBGB NNC(=O)c1cn(C[C@@H](O)c2cccs2)nn1 98211078 JWPPPRFBYXUWAR-SSDOTTSWSA-N 253.287 -0.323 50 40 CBGB CCOC(=O)/C=C/C(=O)OCC(=O)/C(C#N)=C(/C)N 104758218 SDSFJUQDJUOGES-PXJZJIAOSA-N 266.253 -0.026 50 40 CBGB O=C1[C@H](n2ccc(=O)[nH]c2=O)CCN1CCCl 336828 DHLWVYYTUWXYGY-SSDOTTSWSA-N 257.677 -0.451 50 40 CBGB CNC(=S)NNC(=O)c1n[nH]c(=O)c2ccccc12 6908221 AODJILDMZIARJT-UHFFFAOYSA-N 277.309 -0.338 50 40 CBGB C/C(Cc1ccccc1)=N\NC(=O)Cn1[nH]nnc1=N 408976726 SOUTWYLWKAVYEO-NTEUORMPSA-N 273.300 -0.180 50 40 CBGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)NC(N)=O)ccc21 409246225 GQEDPOBZQFQERE-UITAMQMPSA-N 299.290 -0.021 50 40 CBGB CC(C)(C)OC(=O)NNS(=O)(=O)CC[C@H](N)C(=O)O 1560990 ULDIAUKUDKTLDY-LURJTMIESA-N 297.333 -0.853 50 40 CBGB O=C(O)[C@@H]1[C@@H]2OO[C@H]3[C@@H]2O[C@H]1[C@H]3Br 104171786 JMQKMTCBJHYVCV-NNOPSVPVSA-N 251.032 -0.069 50 40 CBGB CCC1=C(C)NC(=O)[C@@]12C(=O)NC(NC(C)=O)=C2C#N 100257469 JEAAKRUSLMOIGF-CYBMUJFWSA-N 274.280 -0.212 50 40 CBGB CN1/C(=N/C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 9531224 JAKDZJVSEIUEES-KVCTVBOHSA-N 282.774 -0.048 50 40 CBGB COc1nc(OC)c(B(O)O)cc1Br 642814261 BAPPWLUIGVTUOP-UHFFFAOYSA-N 261.868 -0.459 50 40 CBGB COc1cc(/C=N\NC(N)=O)cc(/C=N/NC(N)=O)c1O 35191168 XWGTUQYXKZPABM-YHKLRMRPSA-N 294.271 -0.595 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1cccs1 2320083 GCCKMHPFTZGCDS-ONNFQVAWSA-N 251.275 -0.533 50 40 CBGB CC(C)N1C[C@@H](O)C2=C/C(=N\NC(N)=O)C(=O)C=C21 100030735 XZKVIDLLLOUTSS-GYBQTFJISA-N 264.285 -0.511 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1cccc(O)c1 547445 POVQVLBRNSZHKE-LFYBBSHMSA-N 261.245 -0.889 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 59515499 DAGPJVVZGXPCBE-MHWRWJLKSA-N 292.339 -0.035 50 40 CBGB C/C(=N\NC(N)=O)c1cccc(/C(C)=N/NC(N)=O)n1 17120237 CCNROAALLUYANQ-MBGCCUORSA-N 277.288 -0.134 50 40 CBGB CCc1nnsc1C(=O)NNC(=O)c1cnn(C)c1 95960149 GQDBMBGQTLUJRL-UHFFFAOYSA-N 280.313 -0.091 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@H]3C[C@H]4[C@@H](/C(=N\NC(N)=O)C[C@H]24)[C@@H]13 104202554 VGAPAJONVCYASD-BVIXASITSA-N 290.327 -0.043 50 40 CBGB CCOC(=O)c1ccc(S(=O)(=O)NNC(N)=O)cc1 3361123 RYFWVPBJJZRFQP-UHFFFAOYSA-N 287.297 -0.275 50 40 CBGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/[C@H]1CC=CCC1 56052 QIWQNRVBOGQCST-PFMRQGHBSA-N 291.311 -0.151 50 40 CBGB NNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21 2169857 KOZWHQPRAOJMBN-OOZYFLPDSA-N 258.347 -0.298 50 40 CBGB in-vitro O=NN(CCCl)C(=O)N[C@@H]1CCC(=O)NC1=O 4214100 KHWIRCOLWPNBJP-RXMQYKEDSA-N 262.653 -0.277 50 40 CBGB investigational CS(=O)(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 3663990 FOOGDAATMBLWHM-UHFFFAOYSA-N 259.243 -0.211 50 40 CBGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)CC#N 5620821 FHVDKTZYEFDQFC-IZZDOVSWSA-N 251.206 -0.408 50 40 CBGB NNC(=O)CNC(=O)COc1ccc(Cl)cc1 2390445 RHZABJOLAGUJED-UHFFFAOYSA-N 257.677 -0.175 50 40 CBGB O=C1C[C@H](NNC(=O)c2ccc(Cl)cc2)C(=O)N1 100977268 HENZMIQWTMJOAH-QMMMGPOBSA-N 267.672 -0.011 50 40 CBGB CN(C)S(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 5718091 BYKQHADELSXRMA-UHFFFAOYSA-N 288.285 -0.364 50 40 CBGB Nc1nc2c(ncn2CO[C@@H](CO)CCl)c(=O)[nH]1 3600447 FQZPLTGJIGCMPY-RXMQYKEDSA-N 273.680 -0.724 50 40 CBGB in-vitro NC(=O)C(=O)NNC(=O)Nc1cccc(Cl)c1 5671185 IRCIMCOKVRHWDP-UHFFFAOYSA-N 256.649 -0.022 50 40 CBGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]12)[C@H]1[C@@H]2C(=O)OC(=O)[C@@H]2[C@@H]31 68562317 QYIOZTGZGGRHAI-YJEJVTBQSA-N 274.228 -0.320 50 40 CBGB CC(=O)NNC(=O)CCn1nnc(-c2cccs2)n1 920604 MAKCRNYSMGQQTR-UHFFFAOYSA-N 280.313 -0.041 50 40 CBGB O=C(N/N=C\c1cc(=O)[nH]c(O)n1)c1ccncc1 17419684 YXQIEUBNIXVKED-MLPAPPSSSA-N 259.225 -0.366 50 40 CBGB O=C1NC(=O)C(=NNC(=O)c2cccs2)C(=O)N1 4592643 GTJQRKRCIZVNFD-UHFFFAOYSA-N 266.238 -0.800 50 40 CBGB O=C1NC(=O)C(=CNNC(=O)C2CCCCC2)C(=O)N1 6600573 MPLYXVUPUKHMPF-UHFFFAOYSA-N 280.284 -0.563 50 40 CBGB COCCCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O 11566803 FUEMVKJRKQVDPH-UHFFFAOYSA-N 275.692 -0.423 50 40 CBGB O=C(CCN1CCOCC1)NNC(=O)c1ccccc1O 35327226 IEUWTJJAWZWHKP-UHFFFAOYSA-N 293.323 -0.125 50 40 CBGB NNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 6760110 ZBTSOZURZYLUHX-UHFFFAOYSA-N 282.325 -0.346 50 40 CBGB CCOc1cccc(/C=N/NC(=O)[C@@H]2C=NNC2=O)c1O 100948900 USENATFAFBACFW-RGEMTFFCSA-N 290.279 -0.027 50 40 CBGB CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(CC)C1=O 2262575 AUSZLZUDEVYBOU-FPLPWBNLSA-N 298.368 -0.056 50 40 CBGB NNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16428923 PLJDLDIPGITGKQ-UHFFFAOYSA-N 299.352 -0.160 50 40 CBGB COCCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 7986280 VPLVJJBODXVKPS-MRVPVSSYSA-N 269.750 -0.113 50 40 CBGB CS(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 4832135 IRFQIRBYECXFDD-UHFFFAOYSA-N 259.243 -0.211 50 40 CBGB Cn1cc(/C=N/NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 10304544 DLDFHDISLDHXDO-AWNIVKPZSA-N 282.300 -0.057 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 3059972 GHLGEGGTLNXGBE-VIZOYTHASA-N 293.279 -0.372 50 40 CBGB NNC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 331210 QXDGQPRODLITLC-UHFFFAOYSA-N 294.296 -0.527 50 40 CBGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)CCCCCN 2356208 GUUBBTRVZHKDGO-VGOFMYFVSA-N 281.316 -0.659 50 40 CBGB O=C(Cn1cncn1)N/N=C/c1ccc(O)cc1O 547514 PRORKPIODSKOMC-YIXHJXPBSA-N 261.241 -0.160 50 40 CBGB CSc1ncc(C(=O)NN)c(N2CCOCC2)n1 223461970 RSSPLKYXXKTFIZ-UHFFFAOYSA-N 269.330 -0.361 50 40 CBGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc(=O)[nH]n1 13615569 MTPRLPSFYUBLCE-MLPAPPSSSA-N 274.236 -0.055 50 40 CBGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1C[C@H]1CCCO1 72415058 PUESJJHOVSRSMN-ZCFIWIBFSA-N 287.703 -0.281 50 40 CBGB N/C(CS(=O)(=O)c1ccccn1)=N\OC(=O)CCl 4284742 CLMJOAFXFKBRGR-UHFFFAOYSA-N 291.716 -0.091 50 40 CBGB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(N)=O 5684474 BVPBNHBKJXKAMU-UHFFFAOYSA-N 281.228 -0.459 50 40 CBGB O=C(NNC(=O)c1cc(O)nc(O)n1)c1ccccc1 408717973 ABHKITWJZKMXMH-UHFFFAOYSA-N 274.236 -0.037 50 40 CBGB CCC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 411372 BCSPFGXGZHKHHD-UHFFFAOYSA-N 274.284 -0.103 50 40 CBGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 59960622 CRNFCTARZZBXJR-RQTLQMQPSA-N 265.269 -0.618 50 40 CBGB O=C(NNC(=O)c1cn[nH]n1)c1cccc(-n2cncn2)c1 97002065 XASQSCWIDKAROM-UHFFFAOYSA-N 298.266 -0.540 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1 3059932 JEMOLVAJJCAIDL-OQLLNIDSSA-N 279.296 -0.092 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 3059967 RWXFASDSAAIUSU-OVCLIPMQSA-N 295.295 -0.387 50 40 CBGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(N)=O 3413071 JLSLUZIPAYXBBU-MKMNVTDBSA-N 281.268 -0.352 50 40 CBGB CN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccncc2)C1=O 34236717 LHOASRZCZPXOLC-VURMDHGXSA-N 289.251 -0.252 50 40 CBGB O=c1nc2n(cc1F)[C@@H]1O[C@@H](CCl)[C@@H](O)[C@@H]1O2 1607884 QBZBYQZLEPKPMT-SKHQTKALSA-N 262.624 -0.360 50 40 CBGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2C=NNC2=O)cc1 100948876 PDMRPVVTQQZSDJ-XPWNQWCVSA-N 288.263 -0.345 50 40 CBGB COc1cc(/C=N/NC(=O)Cn2nnnc2N)ccc1O 547469 IFWCWZMITUJERV-WLRTZDKTSA-N 291.271 -0.880 50 40 CBGB CN(C)NC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167735 YFXSKXABSXOKBN-RITPCOANSA-N 271.795 -0.669 50 40 CBGB C/C(=N\NC(=O)[C@@H]1C=NNC1=O)c1ccc(O)cc1 100948963 XMVYVFYMYONXRZ-FBWGLTFQSA-N 260.253 -0.036 50 40 CBGB COc1ccc(/C=N/NC(=O)C(N)=O)cc1[N+](=O)[O-] 408970216 CVBRRUIRSNUENI-LFYBBSHMSA-N 266.213 -0.461 50 40 CBGB CCCn1nnnc1SCC(=O)NNC(=O)C(C)C 4882765 LPQBLKTUCJWZAT-UHFFFAOYSA-N 286.361 -0.021 50 40 CBGB CCOC(=O)[C@@H]1CN(C(=O)OCC)C/C1=N/NC(N)=O 4972883 NDRVGZUMJKJOHG-BMLANZLASA-N 286.288 -0.338 50 40 CBGB O=NN(CCCl)C(=O)N[C@H]1CCC(=O)NC1=O 5188202 KHWIRCOLWPNBJP-YFKPBYRVSA-N 262.653 -0.277 50 40 CBGB investigational CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 13021416 JPSSXQHWHUNGCF-UHFFFAOYSA-N 299.352 -0.217 50 40 CBGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)C1CC1 15794440 SJWRCXTZZCOLNB-UHFFFAOYSA-N 286.291 -0.046 50 40 CBGB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN 1467775 IXIIQCZVUOUKQQ-LURJTMIESA-N 252.230 -0.297 50 40 CBGB CC(C)(C)OC(=O)NCc1ccncc1B(O)O 206044160 CKCMFKCMWFBVIA-UHFFFAOYSA-N 252.079 -0.214 50 40 CBGB NNC(=O)c1cnc(NCc2ccccc2)[nH]c1=O 224968219 XZNNVOQGCSGNMJ-UHFFFAOYSA-N 259.269 -0.015 50 40 CBGB CN(C[C@@H](O)COC[C@H](Cl)CCl)S(=O)(=O)O 3160983 VFUPRVHWQUKNNB-RNFRBKRXSA-N 296.172 -0.055 50 40 CBGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)[C@@H](N)CC(C)C 1779049 RVTVSPNKORDQPQ-QFKBZZQOSA-N 281.316 -0.805 50 40 CBGB Cn1/c(=N/N)sc2cc(OCC(=O)NN)ccc21 12436773 DSEHOTZPVIABEP-UVTDQMKNSA-N 267.314 -0.617 50 40 CBGB C[C@H](O)CC(=O)NNC(=S)NC[C@H]1CCCO1 16990171 OTYKUJLDKOCEQL-JGVFFNPUSA-N 261.347 -0.568 50 40 CBGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)OC[C@@H]2CO2)C1 40168282 MYVICXDRKWPYLR-LYFYHCNISA-N 285.774 -0.319 50 40 CBGB COc1cc(C(=O)NN)ccc1OCC(=O)NC1CC1 226360775 CAZZAIMAFGSQPG-UHFFFAOYSA-N 279.296 -0.044 50 40 CBGB COC(=O)[C@H]1CN(C(=O)CCl)CCN1C(C)=O 79419955 ZUQOUXUNPQJUOL-MRVPVSSYSA-N 262.693 -0.543 50 40 CBGB CCOC(=O)C1=C(N)[C@H](OC=O)NC(Cl)=C1C#N 19908327 MPHVUTDUIBUXHN-VIFPVBQESA-N 271.660 -0.161 50 40 CBGB Cn1cc(S(=O)(=O)NNC(=O)c2cccc(O)c2)cn1 71284716 RIKWGMXTPXGOIQ-UHFFFAOYSA-N 296.308 -0.251 50 40 CBGB O=C(CCl)N([C@@H]1CCS(=O)(=O)C1)N1CCOCC1 217382786 LTXVVLNDPJQNFQ-SECBINFHSA-N 296.776 -0.512 50 40 CBGB CC(C)(O)C(=O)NNC(=S)NC[C@H]1CCCO1 6823092 ZFJDTNCYNGODJO-SSDOTTSWSA-N 261.347 -0.568 50 40 CBGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]12)[C@H]1[C@@H]2C(=O)OC(=O)[C@@H]2[C@@H]31 100371474 QYIOZTGZGGRHAI-JCQCAICRSA-N 274.228 -0.320 50 40 CBGB CN1C(=O)/C(=C/NNC(=O)c2ccccc2)C(=O)N=C1O 4857954 OMLYMMVCQRYURH-VQHVLOKHSA-N 288.263 -0.283 50 40 CBGB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NN 3061446 MURFDVPJSUGXAZ-ZCFIWIBFSA-N 288.285 -0.749 50 40 CBGB CCCNS(=O)(=O)c1cc(C(=O)NN)ccc1OC 223469225 NNIKPDXAIBODFL-UHFFFAOYSA-N 287.341 -0.013 50 40 CBGB CCN1C(=O)/C(=N\NC(=O)C(N)=O)c2ccccc21 3472075 GCMVRWQPKXPSIB-ZROIWOOFSA-N 260.253 -0.641 50 40 CBGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NC(N)=O 409244264 AIKPOVACOOJAPO-UITAMQMPSA-N 288.263 -0.347 50 40 CBGB C=CCNS(=O)(=O)c1cccc(C(=O)NN)c1 171733605 DDFQUZHHRVWEEG-UHFFFAOYSA-N 255.299 -0.246 50 40 CBGB O=C(Cc1nnc(O)[nH]c1=O)N/N=C/c1cccs1 56050 PPZKVEQSIXZTHY-VZUCSPMQSA-N 279.281 -0.375 50 40 CBGB CC(C)NC(=O)C(=O)NNC(=O)Cc1ccccc1 6358295 ARBOXYWFDCPJTC-UHFFFAOYSA-N 263.297 -0.099 50 40 CBGB Nc1nnnn1CC(=O)N/N=C\c1ccccc1O 58984287 NFDBKHSIGXEDPY-XGICHPGQSA-N 261.245 -0.889 50 40 CBGB NNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 2165067 RMCGRCLZUPVZBM-UHFFFAOYSA-N 253.218 -0.294 50 40 CBGB CCOC(=O)[C@H]1CSSC[C@H](N)C(=O)N1 1708699 JXIJTMGDLYLWMF-NTSWFWBYSA-N 250.345 -0.243 50 40 CBGB CC(=O)NNC(=O)Cc1nnc(NC(C)=O)s1 6186309 HJLVSVIHTWBHLM-UHFFFAOYSA-N 257.275 -0.794 50 40 CBGB CS(=O)(=O)NCc1ccc(/C=N/NC(N)=O)o1 217037909 NTGVIYRHZJTNGO-ONNFQVAWSA-N 260.275 -0.669 50 40 CBGB C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)NN 34259717 KBPKTOXMTUBNDU-WCBMZHEXSA-N 267.285 -0.348 50 40 CBGB CN1/C(=N/C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 9531225 JAKDZJVSEIUEES-OXAXSJPBSA-N 282.774 -0.048 50 40 CBGB COCCNS(=O)(=O)c1cccc(C(=O)NN)c1 225499584 WQGKERKRGVTCRK-UHFFFAOYSA-N 273.314 -0.785 50 40 CBGB O=C(NO)N/N=C\c1ccc(/C=N/NC(=O)NO)cc1 56635986 XOJPYSVCGXVBNK-JTAXDKCCSA-N 280.244 -0.269 50 40 CBGB C[C@H]1[C@@]2(C(=O)NC(N)=C2C#N)C(=O)N[C@]1(O)c1ccccc1 100253543 IAWKKRFIJOXXHV-PVJOKMEKSA-N 298.302 -0.592 50 40 CBGB COc1nc(N2CCCC2)nc(N(N)C(N)=O)n1 109029 OZTNDBGAKQCSEK-UHFFFAOYSA-N 253.266 -0.761 50 40 CBGB Cc1cc(C(=O)NNC(=S)NC2CC2)nn1C 2788156 UADQIFJHZVWOSD-UHFFFAOYSA-N 253.331 0.000 50 40 CBGB CCOC(=O)c1cc(B(O)O)cnc1C(F)(F)F 169810378 XRASZAJQNFJREN-UHFFFAOYSA-N 262.980 -0.043 50 40 CBGB CNC(=O)c1cc(Br)cc(B(O)O)c1 642814939 OHDDEMWGXPFMHZ-UHFFFAOYSA-N 257.880 -0.512 50 40 CBGB Cc1cccc(/C=N/NC(=O)Cn2nnnc2N)n1 547759 PPWVCBCEIRQNFW-LFYBBSHMSA-N 260.261 -0.891 50 40 CBGB COC(=O)CNC(=O)c1ccccc1C(=O)NN 39404079 ZHVCKGWEOHAUMQ-UHFFFAOYSA-N 251.242 -0.807 50 40 CBGB O=S(=O)(CCl)N1CCN(S(=O)(=O)CCl)C1 238493097 MKLVYYMZWMEWDP-UHFFFAOYSA-N 297.185 -0.386 50 40 CBGB COc1ccc(/C=N/NC(=O)C(N)=O)cc1OC 3471849 ROWYZGYYMNDJMZ-AWNIVKPZSA-N 251.242 -0.361 50 40 CBGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nn1cnnc1 16693985 FUXRVRBRQKFIRF-WTKPLQERSA-N 258.241 -0.456 50 40 CBGB COc1cccc(OCC(=O)NNC(N)=S)c1 9286940 ABGRXDYARWFNED-UHFFFAOYSA-N 255.299 -0.062 50 40 CBGB N#C[C@@H]1C(=O)NN=C1C(=O)N/N=C/c1cccc(O)c1 102300182 HEQZYCJCLPFAGA-RGEMTFFCSA-N 271.236 -0.532 50 40 CBGB CN1C(=O)C(=CNNC(=O)c2ccco2)C(=O)N(C)C1=O 12062383 PWHXFCPILWSNGX-UHFFFAOYSA-N 292.251 -0.552 50 40 CBGB COc1ccccc1/C=N/NC(=O)Cn1nnc(N)n1 547917 HDCAVQLJIASBOW-AWNIVKPZSA-N 275.272 -0.586 50 40 CBGB NNC(=O)CCC1=NS(=O)(=O)c2ccccc2N1 8195466 YQJWUIUNFKEIIO-UHFFFAOYSA-N 268.298 -0.031 50 40 CBGB O=C(Cc1nnn[nH]1)N/N=C/c1ccc([N+](=O)[O-])cc1 18192188 MVFSGUOIEQJGLH-IZZDOVSWSA-N 275.228 -0.199 50 40 CBGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1 56159 HJGVSBNGOXWACR-RIYZIHGNSA-N 287.279 -0.459 50 40 CBGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)OC[C@H]2CO2)C1 40168280 MYVICXDRKWPYLR-DSYKOEDSSA-N 285.774 -0.319 50 40 CBGB Cc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)NN)C(=O)N2 27986373 NNIXQDXKVAQTAF-UHFFFAOYSA-N 289.295 -0.462 50 40 CBGB Cn1c(=O)n(CC(=O)NNC(=O)C2CC2)c2ccccc21 14290545 RZFDONJUCXHCQL-UHFFFAOYSA-N 288.307 -0.103 50 40 CBGB COCCOC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40169012 QKVMJVPRJPLLCA-RQJHMYQMSA-N 287.790 -0.072 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444296 OPYZJICOTAHDMS-OVCLIPMQSA-N 293.279 -0.403 50 40 CBGB CC(=O)NNC(=S)N/C=C1/C(=O)C=C(C)OC1=O 17221817 XSHOSPRUYZXNNF-DAXSKMNVSA-N 269.282 -0.585 50 40 CBGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1O 5718518 YLSQNHUULUMNLI-VGOFMYFVSA-N 265.269 -0.013 50 40 CBGB CCn1c(NN)nc2cc(C(=O)NN)ccc2c1=O 9482501 UZOOKILKAVCSON-UHFFFAOYSA-N 262.273 -0.695 50 40 CBGB CN1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101319096 JAKDZJVSEIUEES-ITDUTBFVSA-N 282.774 -0.048 50 40 CBGB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN 1467776 IXIIQCZVUOUKQQ-ZCFIWIBFSA-N 252.230 -0.297 50 40 CBGB CCCCC(=O)NNC(CC)=C1C(=O)NC(=O)NC1=O 9287554 XOJQXABHXPESIH-UHFFFAOYSA-N 282.300 -0.173 50 40 CBGB CCCCOC(=O)NNC=C1C(=O)N(C)C(=O)N(C)C1=O 6756860 ZJIIXRCUZCIYIU-UHFFFAOYSA-N 298.299 -0.048 50 40 CBGB O=C(CCl)N1CCN(CC(=O)N2CCCC2)CC1 34781261 QRRJZHJCGNFNIN-UHFFFAOYSA-N 273.764 -0.008 50 40 CBGB OB(O)c1ccc(-c2ncn([C@@H]3CCCCO3)n2)nc1 642882520 GSVGTTUMAIUCPF-NSHDSACASA-N 274.089 -0.281 50 40 CBGB C[C@@]12CCCC[C@]1(O)NC(=O)[C@]21C(=O)NC(N)=C1C#N 100252898 BFMIBMWCULQSAE-UPJWGTAASA-N 276.296 -0.805 50 40 CBGB NNC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 3068402 OIEUBBURQJOJCH-UHFFFAOYSA-N 252.230 -0.295 50 40 CBGB COCCOC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40169008 QKVMJVPRJPLLCA-BQBZGAKWSA-N 287.790 -0.072 50 40 CBGB NNC(=O)Cc1cnc(COc2ccccc2)[nH]c1=O 223458407 RUIWWXJGTBJKED-UHFFFAOYSA-N 274.280 -0.119 50 40 CBGB COc1ccc(-n2nnnc2SCC(=O)NN)cc1 349973 UWFDRIQSAZEPRG-UHFFFAOYSA-N 280.313 -0.247 50 40 CBGB COCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40169007 QKVMJVPRJPLLCA-NKWVEPMBSA-N 287.790 -0.072 50 40 CBGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NN 574515 MQVTZDHQJQBHGX-UHFFFAOYSA-N 271.342 -0.519 50 40 CBGB COCCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 7986281 VPLVJJBODXVKPS-QMMMGPOBSA-N 269.750 -0.113 50 40 CBGB CN1CCN(S(=O)(=O)c2cccc(C(=O)NN)c2)CC1 193440369 ZIPRVSWQARHEGU-UHFFFAOYSA-N 298.368 -0.774 50 40 CBGB C/C(=N\NC(=O)c1nonc1N)c1nonc1C 5537515 AJNWGYAAZUXANU-XCVCLJGOSA-N 251.206 -0.503 50 40 CBGB C=CCNC(=S)NNc1nc(C(=O)NN)cs1 3768026 FUDMZUINAVKUGV-UHFFFAOYSA-N 272.359 -0.276 50 40 CBGB O=C(C[C@H]1NCCNC1=O)N/N=C/c1ccc(O)cc1 3056538 WNNDUMFYNGRKFA-FNQVVVRFSA-N 276.296 -0.680 50 40 CBGB CC(=O)NNC(=O)CN1CCN(c2ccccc2)CC1 36385888 BAJYIFOUJPKCJT-UHFFFAOYSA-N 276.340 -0.024 50 40 CBGB C[C@H]1[C@@H](/C=N/NC(N)=O)C(N)=C(C#N)C1(C#N)C#N 4730228 LXSXZMCBMRMXKI-JHPGVLKXSA-N 257.257 -0.324 50 40 CBGB CCNC(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 5598021 SKLUCZIJCNIVCA-SNVBAGLBSA-N 277.284 -0.075 50 40 CBGB Cc1ccsc1/C=N/NC(=O)Cn1nnnc1N 245577 ZRCFWKDXAFRKSG-NYYWCZLTSA-N 265.302 -0.224 50 40 CBGB O=C(CCl)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 4218383 MGCDVZHSWZKVDZ-LURJTMIESA-N 268.722 -0.803 50 40 CBGB COc1ccc(CC(=O)N[C@@H](C)C(=O)NN)cc1 32579327 QWAVSTHTKBCPPR-QMMMGPOBSA-N 251.286 -0.268 50 40 CBGB NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 94986150 BNCMOJYSYZSPLU-ZETCQYMHSA-N 263.253 -0.242 50 40 CBGB CCOC(CN/C(C)=C(/C#N)C(=O)NC(N)=O)OCC 239563035 QKZVGOGDQGQICE-UHFFFAOYSA-N 284.316 -0.032 50 40 CBGB N=C(N)NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 5670444 AWMKFGKWYHYNLD-UHFFFAOYSA-N 267.201 -0.579 50 40 CBGB C#CCOC(=O)[C@H](N)CSSC[C@H](N)C(=O)O 31870780 CJEMQWXFMIWIHU-NKWVEPMBSA-N 278.355 -0.717 50 40 CBGB N#C[C@H]1C(=O)NN=C1C(=O)N/N=C/c1cccc(O)c1 102300185 HEQZYCJCLPFAGA-ISKYKNHCSA-N 271.236 -0.532 50 40 CBGB CCOc1cc(/C=N/NC(=O)C(N)=O)ccc1O 3471989 OTSLTSMLHIPKBA-AWNIVKPZSA-N 251.242 -0.274 50 40 CBGB CN(N=O)C(=O)N[C@@H]1[C@H](CO)O[C@@H]2OC(C)(C)O[C@@H]21 5124759 RTJHWSOESQFUKS-LXGUWJNJSA-N 275.261 -0.454 50 40 CBGB C/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](C)C=2C#N 5372186 ZKSCWZNUBGWZOO-AZHJHODPSA-N 258.306 -0.315 50 40 CBGB CCOc1ncccc1C(=O)NNC(=O)C(=O)NC1CC1 9889647 RAYPFPIKXWQPPC-UHFFFAOYSA-N 292.295 -0.480 50 40 CBGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccnc1 5579995 NZHWGAXIDGVRJD-AXLKIAQESA-N 276.296 -0.173 50 40 CBGB OB(O)c1ccccc1/C=C/c1ccccc1B(O)O 195756777 SIMRIQSKDZMOBD-MDZDMXLPSA-N 267.886 -0.783 50 40 CBGB CCOC(=O)[C@@H]1C=C(C#N)O[C@@](NC(C)=O)(C(=O)OC)C1 4267370 WBGINSIKQAYBGO-NOZJJQNGSA-N 296.279 -0.001 50 40 CBGB CN1C(=O)C(=CNCCBr)C(=O)N(C)C1=O 6208761 RQOCSCGMPPURTB-UHFFFAOYSA-N 290.117 -0.095 50 40 CBGB NNC(=O)[C@H]1CS[C@H](C(F)(F)F)CC(=O)N1 225807129 RYXMPYXVVQAEJI-DMTCNVIQSA-N 257.237 -0.471 50 40 CBGB Cn1c(=O)c2nc(CBr)cnc2n(C)c1=O 4100962 JYZYYGMRUFYQBD-UHFFFAOYSA-N 285.101 -0.078 50 40 CBGB COc1ccc(/C(C)=N\NC(=O)Cn2nnc(N)n2)cc1 548421 IAHNKHXWZJYPPX-ZSOIEALJSA-N 289.299 -0.196 50 40 CBGB CCOC(=O)N([C@@H]1CS(=O)(=O)C[C@@H]1O)N(C)C 217388916 IIOVWTJWZQFSLB-SFYZADRCSA-N 266.319 -0.921 50 40 CBGB CCOC(=O)c1ccc(NC(=O)C(=O)NN)cc1 196130624 RUTVWJGECINJMD-UHFFFAOYSA-N 251.242 -0.208 50 40 CBGB CC[C@H](C)[C@H](N)C(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O 6934268 NDISRZXJUQZUQN-QFXNWAIFSA-N 281.316 -0.805 50 40 CBGB O=C(O)[C@@H]1[C@H]2O[C@H]3[C@H](OO[C@@H]31)[C@@H]2Br 104171781 JMQKMTCBJHYVCV-CTBIGQHSSA-N 251.032 -0.069 50 40 CBGB Cn1ncc(I)c1C(=O)NN 2576739 QSDKLQHHMLEPFL-UHFFFAOYSA-N 266.042 -0.372 50 40 CBGB CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NN 4531676 IIAZPXGGUWPKRC-MRVPVSSYSA-N 269.305 -0.165 50 40 CBGB CCN(CC(=O)NN)S(=O)(=O)c1ccc(C)cc1 6205035 AHWKOLNUPYKCGL-UHFFFAOYSA-N 271.342 -0.004 50 40 CBGB Cc1cc(C(=O)NNC(=S)NC2CC2)n(C)n1 2788303 OKGBYUWQAJTVBO-UHFFFAOYSA-N 253.331 0.000 50 40 CBGB COCCNC(=S)NNC(=O)c1cccnc1 7062716 QIPSUUFYZPWLLF-UHFFFAOYSA-N 254.315 -0.163 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2ccccc2F)n1 547701 RWUHWXMOFVUTLU-WLRTZDKTSA-N 263.236 -0.455 50 40 CBGB COC[C@@H]1CCCN([C@H](C)C(=O)NNC(C)=O)C1 108387248 ONVNBCPIQTVTIC-MWLCHTKSSA-N 257.334 -0.099 50 40 CBGB CN(C)c1nc(SCC(=O)NN)nc(N(C)C)n1 242552 BIEWRSOPXIDBHY-UHFFFAOYSA-N 271.350 -0.914 50 40 CBGB Cc1nnc(SCC(=O)NNC(=O)CC#N)nc1O 8685895 HLYWXVZWUSZYED-UHFFFAOYSA-N 282.285 -0.961 50 40 CBGB COc1cccc(/C=N/NC(=O)[C@@H]2C=NNC2=O)c1O 100948939 PVBCRWTVFMPVCG-XEPABTDDSA-N 276.252 -0.417 50 40 CBGB CC(C)(C)c1c(C(=O)NN)nnn1-c1nonc1N 3671776 NTQZTOWOSNQLQZ-UHFFFAOYSA-N 266.265 -0.867 50 40 CBGB NNC(=O)CSc1nnnn1-c1ccccc1 33102 VICAGCCAGCMBGC-UHFFFAOYSA-N 250.287 -0.256 50 40 CBGB NNC(=O)C1CCN(S(=O)(=O)c2ccccc2N)CC1 367016 PIRSHIZECBNOBI-UHFFFAOYSA-N 298.368 -0.341 50 40 CBGB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NN 3061444 MURFDVPJSUGXAZ-LURJTMIESA-N 288.285 -0.749 50 40 CBGB O=CNNC(=O)CCCN1C(=O)c2ccccc2C1=O 71405496 QEKGGZXREUYMOO-UHFFFAOYSA-N 275.264 -0.160 50 40 CBGB O=C(NC(=O)[C@H](Cl)[N+](=O)[O-])NC(=O)N1CCOCC1 106126986 AGDNQHSREIXVGG-RXMQYKEDSA-N 294.651 -0.894 50 40 CBGB C#CCOC(=O)[C@@H](N)CSSC[C@H](N)C(=O)O 31870782 CJEMQWXFMIWIHU-BQBZGAKWSA-N 278.355 -0.717 50 40 CBGB NNC(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1 6222164 XWVCCXBWHKAARE-UHFFFAOYSA-N 262.229 -0.941 50 40 CBGB O=C1NN=C[C@H]1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 100948840 OPYQHDCCBJVREN-QOMRTYFESA-N 275.224 -0.223 50 40 CBGB O=C(CCl)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 39287179 MEUVPPHJTSAVAU-ZJUUUORDSA-N 294.804 -0.007 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccccn1 5511724 SFQUZKGKBOFDHJ-RIYZIHGNSA-N 250.258 -0.706 50 40 CBGB C[C@H](O)CC(=O)NNC(=S)NC[C@@H]1CCCO1 16990164 OTYKUJLDKOCEQL-YUMQZZPRSA-N 261.347 -0.568 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3059984 ZBTOCRXAGSZORS-RIYZIHGNSA-N 294.267 -0.193 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 5511716 AJIVPXGLCXSDCW-OVCLIPMQSA-N 293.279 -0.403 50 40 CBGB O=C(CCl)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 20268501 RRUBKTSBNZCODS-SECBINFHSA-N 280.777 -0.444 50 40 CBGB in-vitro COCCNC(=O)C(=O)N/N=C/c1ccccc1OC 3059934 BJCBOCCGQJCXCX-OQLLNIDSSA-N 279.296 -0.092 50 40 CBGB CN(C)/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 3116809 QGPKHCBCAVVWMJ-UKTHLTGXSA-N 273.300 -0.039 50 40 CBGB CNC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 5510395 HBHYWQVAWXJASP-VGOFMYFVSA-N 265.269 -0.100 50 40 CBGB O=C(O)CCC(=O)NNc1ncnc2[nH]cnc12 41098099 JVPHGCQAUPUWGO-UHFFFAOYSA-N 250.218 -0.339 50 40 CBGB CCOC(=O)C/C(C)=N/NC(=O)CN1CCOCC1 408719698 KFFLOJZZSNBHNP-JLHYYAGUSA-N 271.317 -0.236 50 40 CBGB COc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1 3471874 BTWUNXTWHZEERW-AWNIVKPZSA-N 251.242 -0.361 50 40 CBGB CCOC(=O)[C@@H]1CN(C(=O)OCC)C/C1=N\NC(N)=O 16952444 NDRVGZUMJKJOHG-PPOOIOKYSA-N 286.288 -0.338 50 40 CBGB O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1[C@@H]3C=C[C@H]([C@H]21)[C@H]1C(=O)OC(=O)[C@@H]31 68562324 QYIOZTGZGGRHAI-ZUIZSQJWSA-N 274.228 -0.320 50 40 CBGB CN1C(=O)/C(=C/NNC(=O)c2ccncc2)C(=O)N=C1O 6856199 LHOASRZCZPXOLC-SOFGYWHQSA-N 289.251 -0.888 50 40 CBGB COCCCNC(=O)C(=O)N/N=C/c1ccncc1 5511636 YOJLAXUPFKBUPK-OQLLNIDSSA-N 264.285 -0.316 50 40 CBGB CN1/C(=N/C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 9531220 JAKDZJVSEIUEES-GLFQVWLYSA-N 282.774 -0.048 50 40 CBGB CS(=O)(=O)N(CC(=O)NN)Cc1ccccc1 106679352 AWPLHGQCARRTII-UHFFFAOYSA-N 257.315 -0.562 50 40 CBGB O=[N+]([O-])c1nonc1/C(=N/O)n1cc(CCl)nn1 12428339 HSCOADUOGKNYTC-UITAMQMPSA-N 273.596 -0.008 50 40 CBGB O=C(CCl)N1CCN(CC(=O)N2CCOCC2)CC1 34781271 YGHXRSQVSHCCID-UHFFFAOYSA-N 289.763 -0.772 50 40 CBGB O[C@H]1[C@H](O)[C@@H](I)[C@@H]2OC[C@H]1O2 34827526 SWUJNWULTXIUBD-QZABAPFNSA-N 272.038 -0.733 50 40 CBGB in-vitro Cc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 4724637 RYELRWYECFVTDN-UHFFFAOYSA-N 274.236 -0.553 50 40 CBGB Cc1cn([C@@H]2C[C@H](Cl)[C@H](CO)O2)c(=O)[nH]c1=O 40554782 KQVJDKGDGLWBQT-FXQIFTODSA-N 260.677 -0.268 50 40 CBGB COCCNC(=O)C(=O)NNC(=O)c1ccc(F)cc1 3669206 SBFMCNASVLKQRX-UHFFFAOYSA-N 283.259 -0.651 50 40 CBGB CCCn1c(N)c(C(=O)CCl)c(=O)n(C)c1=O 3284937 UQSCVEWRXNJTLF-UHFFFAOYSA-N 259.693 -0.039 50 40 CBGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/[C@@H]1CC=CCC1 3902455 QIWQNRVBOGQCST-MBBDXHFBSA-N 291.311 -0.151 50 40 CBGB C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 36904974 HJBCFHJBOLRHTR-RITPCOANSA-N 268.722 -0.373 50 40 CBGB CCNC(=S)NNC(=O)Cn1nc([N+](=O)[O-])cc1C 2735576 WDXWCHFSJHHYDQ-UHFFFAOYSA-N 286.317 -0.385 50 40 CBGB NNC(=O)CCC(=O)N/N=C/c1ccc(O)cc1O 27986420 KMNFLIBNAFFIGD-AWNIVKPZSA-N 266.257 -0.682 50 40 CBGB CN1C(=O)/C(=N/NC(N)=O)c2cc([N+](=O)[O-])ccc21 104813124 VMMSVNMVUOZQFW-XYOKQWHBSA-N 263.213 -0.056 50 40 CBGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2ccn(C)n2)C(=O)O1 101540748 OSVXFSHDQFAZMI-DHZHZOJOSA-N 290.279 -0.042 50 40 CBGB CCCCCC[C@H](O)C[C@H](CC(=O)NN)C(=O)NN 2273671 IPDVVUTUAVQUES-ZJUUUORDSA-N 274.365 -0.306 50 40 CBGB Cc1cn2c(nc1=O)O[C@H]1[C@@H](O)[C@@H](CCl)O[C@H]12 5759111 KNFWWEWYLXKFOP-UTSKPXGSSA-N 258.661 -0.190 50 40 CBGB COCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40169010 QKVMJVPRJPLLCA-RNFRBKRXSA-N 287.790 -0.072 50 40 CBGB O=C(/C=C1/SC(=O)NC1=O)NNC(=O)c1ccncc1 104801221 OABTTZGBGKVRKH-FNORWQNLSA-N 292.276 -0.291 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C/C(=N\NC(N)=O)[C@@H]4[C@H]3C[C@H]2[C@H]14 261361244 VGAPAJONVCYASD-VLADSIJXSA-N 290.327 -0.043 50 40 CBGB COc1ccc(OC)c(/C=N/NC(=O)C(N)=O)c1 6127137 IXSKJZAFCCEQED-AWNIVKPZSA-N 251.242 -0.361 50 40 CBGB NNC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 8763351 NFCPTRUYPLTQEW-UHFFFAOYSA-N 269.326 -0.475 50 40 CBGB CC(=O)NNC(=O)CNC(=O)c1ccc(C)s1 23198795 LLGJJZSWIPNFDJ-UHFFFAOYSA-N 255.299 -0.046 50 40 CBGB Cc1occc1C(=O)NN=C1C(=O)NC(=O)NC1=O 4150793 IXQLKVRXUUJDBL-UHFFFAOYSA-N 264.197 -0.960 50 40 CBGB COc1ccccc1[C@@H](O)Cn1cc(C(=O)NN)nn1 80316359 MMXHXUGPUOCDFI-JTQLQIEISA-N 277.284 -0.376 50 40 CBGB CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 44867043 DIGMLHGPMXTPAB-UHFFFAOYSA-N 291.716 -0.232 50 40 CBGB NNC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 100772180 QAYHKYYRFKPJAH-CRRMYELQSA-N 262.317 -0.042 50 40 CBGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccnc1 5580005 NZHWGAXIDGVRJD-FNQVVVRFSA-N 276.296 -0.173 50 40 CBGB O=C1NN=C[C@H]1C(=O)N/N=C/c1ccc(O)cc1O 100948914 ORUSJXRKSMTBQN-RBSUDNFPSA-N 262.225 -0.720 50 40 CBGB CN(C)CCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 4206851 TZIMUJNACJULEF-SECBINFHSA-N 282.793 -0.198 50 40 CBGB NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 225499897 OTDISMBHVHIMHB-JTQLQIEISA-N 299.352 -0.253 50 40 CBGB O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@@H]12)[C@H]1[C@H]2C(=O)OC(=O)[C@@H]2[C@H]31 100786720 QYIOZTGZGGRHAI-VCIUDBLISA-N 274.228 -0.320 50 40 CBGB NC(=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1 3361173 YXMYZAPEOWYNRJ-UHFFFAOYSA-N 293.304 -0.365 50 40 CBGB CN(C[C@H](O)COC[C@H](Cl)CCl)S(=O)(=O)O 4413019 VFUPRVHWQUKNNB-RQJHMYQMSA-N 296.172 -0.055 50 40 CBGB COCC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4957244 PBHWWNDPTQITSE-UHFFFAOYSA-N 289.269 -0.449 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1ccncc1 59459603 KXIHMWCNPZFJSN-RIYZIHGNSA-N 250.258 -0.706 50 40 CBGB NNC(=O)Cn1c(-c2nonc2N)nc2ccccc21 33647 ZTOQQPKPVQHRMT-UHFFFAOYSA-N 273.256 -0.342 50 40 CBGB CCCCn1c(NNC=O)nc2c1c(=O)[nH]c(=O)n2C 2226436 DWDHVYHQLKWXKH-UHFFFAOYSA-N 280.288 -0.704 50 40 CBGB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NN 1019012 SBADFSCBYJIEGZ-UHFFFAOYSA-N 278.066 -0.148 50 40 CBGB CN(C)NC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167733 YFXSKXABSXOKBN-PHDIDXHHSA-N 271.795 -0.669 50 40 CBGB O=C1NN=C[C@@H]1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 100948842 OPYQHDCCBJVREN-HRRMIQFSSA-N 275.224 -0.223 50 40 CBGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1O 6179053 QRIOWNJIGNALFK-AWNIVKPZSA-N 251.242 -0.403 50 40 CBGB O=C(O)[C@H]1[C@@H]2C(=O)O[C@H]3[C@@H](Br)[C@@H]1O[C@H]23 100364984 BQMKEGIYBFPWOU-NTNHSIQDSA-N 263.043 -0.227 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@@H]3C[C@H]4[C@H](/C(=N/NC(N)=O)C[C@H]24)[C@@H]13 102946484 VGAPAJONVCYASD-JJZAWVIESA-N 290.327 -0.043 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@@H]3C[C@H]4[C@H](/C(=N/NC(N)=O)C[C@@H]24)[C@@H]13 105589986 VGAPAJONVCYASD-LLDJOIDDSA-N 290.327 -0.043 50 40 CBGB C/C(=N\NC(=O)c1ccc(N)cc1)c1c[nH]c(=O)[nH]c1=O 12362487 JSJNQRVAUQODTI-REZTVBANSA-N 287.279 -0.201 50 40 CBGB CN1C(=O)[C@@]2(C(=O)N[C@@](C)(O)C2(C)C)C(C#N)=C1N 96336921 FORYSCXILAPRAD-RYUDHWBXSA-N 264.285 -0.997 50 40 CBGB C/C(NNC(=O)c1ccncc1)=C1\C(=O)NC(=O)N=C1O 8968748 XCYMVZFCQOSHRS-UHFFFAOYSA-N 289.251 -0.204 50 40 CBGB CN(C[C@@H](O)COC(CCl)CCl)S(=O)(=O)O 3169145 UPQJEHDNBVIVFN-ZCFIWIBFSA-N 296.172 -0.055 50 40 CBGB C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 36904971 HJBCFHJBOLRHTR-NTSWFWBYSA-N 268.722 -0.373 50 40 CBGB CN(C[C@@H](O)COC[C@@H](Cl)CCl)S(=O)(=O)O 101115016 VFUPRVHWQUKNNB-NKWVEPMBSA-N 296.172 -0.055 50 40 CBGB Cn1nccc1C(=O)NNC(=S)NC(=O)c1ccco1 2373419 YCJXCYHNBHJZCA-UHFFFAOYSA-N 293.308 -0.038 50 40 CBGB CCCn1nnnc1SCC(=O)NNC(C)=O 1357469 AZSAHSUJQXJEKN-UHFFFAOYSA-N 258.307 -0.658 50 40 CBGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccn1 59516101 RNLGTIWWFAHZNX-FNQVVVRFSA-N 276.296 -0.173 50 40 CBGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1cccnc1 32132685 XKJWTOBEKMCMAP-KPKJPENVSA-N 290.243 -0.218 50 40 CBGB COc1cc(/C=N\NC(=O)Cn2nnc(N)n2)ccc1O 31870172 ZQWIWEQMEIBJPA-ACAGNQJTSA-N 291.271 -0.880 50 40 CBGB Cn1c(=O)c2c(ncn2CC(=O)Cl)n(C)c1=O 33506549 HBTFYZONVQJJNR-UHFFFAOYSA-N 256.649 -0.801 50 40 CBGB CC[C@H]1CC[C@H](C(=O)NNS(=O)(=O)c2cn[nH]c2)O1 79094899 HZFYLSZXJCHING-IONNQARKSA-N 288.329 -0.323 50 40 CBGB COc1nc(OC)c([Si](C)(C)C)cc1B(O)O 642814827 YWXBHJRUYUJTGE-UHFFFAOYSA-N 255.155 -0.676 50 40 CBGB Cn1cc(C(=O)NNC(=S)NCc2ccco2)nn1 1775969060 VSOQBZNMXXITOE-UHFFFAOYSA-N 280.313 -0.283 50 40 CBGB COc1ccc(C(=O)NN)cc1S(=O)(=O)N(C)C 16163215 MLTFMXFIXWCNCD-UHFFFAOYSA-N 273.314 -0.451 50 40 CBGB CN(C)c1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1 68426 BVILOLNHEGETMK-VGOFMYFVSA-N 288.315 -0.528 50 40 CBGB COCCNC(=S)NNC(=O)c1ccccn1 7062712 SYFIVBOSCCCARS-UHFFFAOYSA-N 254.315 -0.163 50 40 CBGB Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@H](O)[C@H]1O 44608137 IYSNPOMTKFZDHZ-GAWUUDPSSA-N 285.691 -0.734 50 40 CBGB CCCCC[C@]1(/C=N\NC(N)=O)NC(=O)NC1=O 17284532 ZCLCFAMELJXQJI-GWHHBTOMSA-N 255.278 -0.201 50 40 CBGB CCOc1cccc(/C=N/NC(=O)[C@H]2C=NNC2=O)c1O 100948902 USENATFAFBACFW-ISKYKNHCSA-N 290.279 -0.027 50 40 CBGB C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)NN 34259719 KBPKTOXMTUBNDU-PSASIEDQSA-N 267.285 -0.348 50 40 CBGB NNC(=O)C[C@H](C(=O)NN)c1ccccc1Cl 57351468 XHRFFNXWMXAOIB-ZETCQYMHSA-N 256.693 -0.207 50 40 CBGB CC(C)OC[C@H](O)C[C@@H](CCC(=O)O)C(=O)NN 2273590 JBBSIABCCOLAFQ-RKDXNWHRSA-N 262.306 -0.367 50 40 CBGB C/C(=N/NC(N)=O)c1cccc(/C(C)=N\NC(N)=O)n1 17120234 CCNROAALLUYANQ-JYNHMFOOSA-N 277.288 -0.134 50 40 CBGB Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1 7725937 ILEWHOWYYMYRAJ-UHFFFAOYSA-N 299.352 -0.171 50 40 CBGB Cc1cc(C)n(NC(=O)CCl)c(=O)c1C(N)=O 22637585 OBGQTWYHYKAQLM-UHFFFAOYSA-N 257.677 -0.127 50 40 CBGB CCNc1nc(NCC)nc(SCC(=O)NN)n1 389416 BAHWMKSXLIDRHY-UHFFFAOYSA-N 271.350 -0.183 50 40 CBGB Nc1nnn(CC(=O)N/N=C\c2ccccc2O)n1 58984353 LCKOXTIZCWJBAL-XGICHPGQSA-N 261.245 -0.889 50 40 CBGB NC(=O)N(CC(=O)O)/N=C/c1ccc([N+](=O)[O-])o1 38810947 URYZARAFMQWNPZ-XCVCLJGOSA-N 256.174 -0.013 50 40 CBGB CC[C@@H](NC(=O)c1ccccc1C(=O)NN)C(=O)C=[N+]=[N-] 4863121 SRIQXUBAMLIFBT-SNVBAGLBSA-N 289.295 -0.332 50 40 CBGB NNC(=O)[C@@H](CO)NC(=O)c1ccccc1Cl 85400263 ODUSBAANCYFSFO-MRVPVSSYSA-N 257.677 -0.579 50 40 CBGB O=C(/C=C1\SC(=O)NC1=O)NNC(=O)c1ccncc1 5778627 OABTTZGBGKVRKH-ALCCZGGFSA-N 292.276 -0.291 50 40 CBGB COc1ccccc1[C@@H](O)Cn1cnc(C(=O)NN)n1 98210961 XDSOGJOGFZYDSG-VIFPVBQESA-N 277.284 -0.376 50 40 CBGB CN(C)S(=O)(=O)c1ccc(CCC(=O)NN)cc1 223468640 YLAQBGMDGYJTKR-UHFFFAOYSA-N 271.342 -0.141 50 40 CBGB CCOC(=O)CCN[C@@H]1N[C@@H](Cl)N[C@@H](C)[C@H]1[N+](=O)[O-] 19326235 ACLUZUPIYNMEGN-ZQNVIIHSSA-N 294.739 -0.396 50 40 CBGB COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 4838911 CHCNGQIONDNONM-UHFFFAOYSA-N 279.296 -0.019 50 40 CBGB O=C(NO)N/N=C\c1ccc(/C=N\NC(=O)NO)cc1 56635985 XOJPYSVCGXVBNK-CBIKUMSCSA-N 280.244 -0.269 50 40 CBGB CNS(=O)(=O)c1ccccc1C(=O)NNC(C)=O 40145 LBTQKJDYPCTBAY-UHFFFAOYSA-N 271.298 -0.624 50 40 CBGB C[C@@H]1[C@]2(C(=O)NC(N)=C2C#N)C(=O)N[C@@]1(O)c1ccccc1 230289001 IAWKKRFIJOXXHV-YIUPMNOESA-N 298.302 -0.592 50 40 CBGB Cc1cn([C@H]2C[C@H](Cl)[C@@H](CO)O2)c(=O)[nH]c1=O 5765075 KQVJDKGDGLWBQT-XLPZGREQSA-N 260.677 -0.268 50 40 CBGB in-vitro O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccn1 29463350 RVXFXCHNRCOQSO-VIFPVBQESA-N 288.307 -0.147 50 40 CBGB C#CCOCNC(=S)NNC(=O)c1ccncc1 2314601 PSBNBPHFZHNYCE-UHFFFAOYSA-N 264.310 -0.202 50 40 CBGB CCCNS(=O)(=O)c1ccc(OCC(=O)NN)cc1 6880419 MDGDJYFJTXHPRM-UHFFFAOYSA-N 287.341 -0.256 50 40 CBGB CCCCN1C(=O)C(=O)N(CC(=O)/C(C#N)=C(/C)N)C1=O 24536206 RWRXNJAZWAAGRQ-HJWRWDBZSA-N 292.295 -0.097 50 40 CBGB O=C1NC(=S)NC(=O)C1=CNNC(=O)c1ccccc1 9360180 YYEPJOMVTAKNNR-UHFFFAOYSA-N 290.304 -0.664 50 40 CBGB C[C@@H]1[C@](O)(c2ccccc2)NC(=O)[C@]12C(=O)NC(N)=C2C#N 100253536 IAWKKRFIJOXXHV-SVGYWBMUSA-N 298.302 -0.592 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2cccs2)n1 2320440 IOLOBNXIXWGXHO-ONNFQVAWSA-N 251.275 -0.533 50 40 CBGB NNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 2564511 WUDRJXCGIRLAEC-SECBINFHSA-N 253.258 -0.736 50 40 CBGB CCOC(=O)/C(C#N)=C/N=c1ccn(CC(N)=O)cc1 5672495 DCYZVTDQXAHAKL-CSKARUKUSA-N 274.280 -0.155 50 40 CBGB COc1ccc(N2CCN(CC(=O)NN)CC2)cc1 68571877 JWVNFOKNEYDYLM-UHFFFAOYSA-N 264.329 -0.193 50 40 CBGB Cn1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)n1 2743691 QEURJXGWTPNLNT-MRVPVSSYSA-N 283.357 -0.292 50 40 CBGB NNC(=O)c1nc(NN)c(Cl)c(N)c1Cl 20255239 OYMSCOCLSBFFSH-UHFFFAOYSA-N 251.077 -0.140 50 40 CBGB O=C1C[C@@H](NNC(=O)c2cccc(F)c2)C(=O)N1 100106914 ZUPRPRMCJDARFK-MRVPVSSYSA-N 251.217 -0.525 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@@H]3C[C@H]4[C@H](/C(=N\NC(N)=O)C[C@H]24)[C@@H]13 102946487 VGAPAJONVCYASD-SJSCQPFJSA-N 290.327 -0.043 50 40 CBGB CCOC(=O)CNC(=S)NNC(=O)c1csnn1 1889128359 YJTDKVDMOJJLGW-UHFFFAOYSA-N 289.342 -0.790 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2ccccc2O)n1 548458 LCKOXTIZCWJBAL-LFYBBSHMSA-N 261.245 -0.889 50 40 CBGB N/C(CCl)=N\OC(=O)CCC(=O)N1CCOCC1 34926232 MCUKQHBUCGLGRA-UHFFFAOYSA-N 277.708 -0.320 50 40 CBGB O=C(Cc1nnc(=O)[nH]c1O)N/N=C/c1ccc(O)cc1 56157 MHCGVTQUCDPCON-AWNIVKPZSA-N 289.251 -0.731 50 40 CBGB CCNC(=S)NNC(=O)Cn1nnc2ccccc21 2180861 MGSFBYGEEXTJRL-UHFFFAOYSA-N 278.341 -0.054 50 40 CBGB CCOC(=O)CCN[C@@H]1N[C@@H](Cl)N[C@@H](C)[C@@H]1[N+](=O)[O-] 19326242 ACLUZUPIYNMEGN-MCNGFCJOSA-N 294.739 -0.396 50 40 CBGB C#CCN1CCCC[C@@H]1C(=O)NNC(=O)NCC 68451431 CUVNDQCAJUTDKL-SNVBAGLBSA-N 252.318 -0.176 50 40 CBGB CCCCC[C@@H](O)C[C@@H](CC(=O)NN)C(=O)NN 2289082 DDDVPKLZKXDWHK-DTWKUNHWSA-N 260.338 -0.696 50 40 CBGB COCCNC(=O)C(=O)N/N=C/c1cccc(O)c1 7813130 AMMLINWGVAEOBQ-RIYZIHGNSA-N 265.269 -0.395 50 40 CBGB O=C(O)[C@@H]1[C@H]2O[C@H]3[C@@H](OC(=O)[C@H]13)[C@H]2Br 100364991 BQMKEGIYBFPWOU-PYAXOIPSSA-N 263.043 -0.227 50 40 CBGB CCOC(=O)N([C@H]1CS(=O)(=O)C[C@@H]1O)N(C)C 217389004 IIOVWTJWZQFSLB-YUMQZZPRSA-N 266.319 -0.921 50 40 CBGB Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1 2656103 ATATTZAPFZBBSW-UHFFFAOYSA-N 292.324 -0.060 50 40 CBGB Cc1ccc(S(=O)(=O)NCCC(=O)NN)cc1 95116912 DTJKMSYHBMSEOD-UHFFFAOYSA-N 257.315 -0.347 50 40 CBGB CC(=O)NNC(=O)c1ccc(C(=O)NNC(C)=O)cc1 54797 RBUSDVVUPDMMTB-UHFFFAOYSA-N 278.268 -0.752 50 40 CBGB COCCCNC(=O)C(=O)N/N=C/c1cccnc1 59516126 GKMSTYBZURJGKE-OQLLNIDSSA-N 264.285 -0.316 50 40 CBGB C/C(N)=C(/C#N)C(=O)COC(=O)c1nccnc1N 15151362 BGTMEKOIPTYWJZ-VOTSOKGWSA-N 261.241 -0.459 50 40 CBGB CCCCC(=O)NNC=C1C(=O)N(C)C(=S)N(C)C1=O 5844729 CARJFNKRPSCAPJ-UHFFFAOYSA-N 298.368 -0.103 50 40 CBGB CNC(=S)NNC(=O)COc1ccc2c(c1)OCO2 7058868 KEAJESJDHFHQFH-UHFFFAOYSA-N 283.309 -0.081 50 40 CBGB O=c1[nH]cc(SSc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1 1593419 QJVBBTQJGKITKK-UHFFFAOYSA-N 286.294 -0.761 50 40 CBGB CN(N=O)C(=O)NCCn1cnc2c(=O)[nH]cnc21 17004036 XUVRVPDZOPMBCQ-UHFFFAOYSA-N 265.233 -0.558 50 40 CBGB COCc1cc(C)n(CC(=O)NN)c(=O)c1C#N 6659807 BDZQSGDWPZPYDO-UHFFFAOYSA-N 250.258 -0.835 50 40 CBGB C[n+]1cccc([C@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)c1 500353 WAIZVHOSRPZALV-VIFPVBQESA-O 298.282 -0.894 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 1829164 ZXSATSAHJGFHLZ-LFYBBSHMSA-N 290.243 -0.686 50 40 CBGB CC(=O)NNC(=O)CN1CCN(c2nccs2)CC1 12938644 LWCQDNDYETXFKV-UHFFFAOYSA-N 283.357 -0.568 50 40 CBGB O=C1NN=C[C@@H]1C(=O)N/N=C/c1ccc(O)cc1O 100948916 ORUSJXRKSMTBQN-UJFRQYFJSA-N 262.225 -0.720 50 40 CBGB O=C(CCn1ccc([N+](=O)[O-])n1)NNC(=S)NC1CC1 2778957 SVSYHVOAJITMCM-UHFFFAOYSA-N 298.328 -0.161 50 40 CBGB O=C1Nc2ccccc2/C1=N/NC(=O)c1nc[nH]n1 6864791 WUNWZXHJOPZELQ-UHFFFAOYSA-N 256.225 -0.109 50 40 CBGB O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccs1 1787616 RWZISEVUSBFCGE-UUILKARUSA-N 294.296 -0.918 50 40 CBGB Cc1cc(OCC(=O)NN)c(C)c(C)c1OCC(=O)NN 40546190 UVIWDKJJQVKVNN-UHFFFAOYSA-N 296.327 -0.651 50 40 CBGB CCNS(=O)(=O)c1cc(C(=O)NN)ccc1OC 223469048 KSRGCNHXTRRAAX-UHFFFAOYSA-N 273.314 -0.403 50 40 CBGB Nc1nonc1C(=O)N/N=C/c1ccc(O)cc1O 94250 UWVFMSXDBBCDHI-UUILKARUSA-N 263.213 -0.173 50 40 CBGB CC[C@@H](C)[C@H](N)C(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O 5072410 NDISRZXJUQZUQN-XVQLROJFSA-N 281.316 -0.805 50 40 CBGB C/C(CC(=O)NC1CCCC1)=N\NC(=O)C(=O)NCCO 100530185 VWKZETSVZLJNDK-CXUHLZMHSA-N 298.343 -0.964 50 40 CBGB CC(C)NS(=O)(=O)c1cccc(C(=O)NN)c1 171733607 VXKXXFOWALPIHU-UHFFFAOYSA-N 257.315 -0.023 50 40 CBGB CCCCC(=O)NN/C=C1\C(=O)N=C(O)N(C)C1=O 6782941 YZWGMLVPEAAMHS-VOTSOKGWSA-N 268.273 -0.406 50 40 CBGB C/C(=N/NC(=O)c1ccncc1)c1c(O)[nH]c(=O)[nH]c1=O 102864827 IKPBHYUQVLJQEZ-SOFYXZRVSA-N 289.251 -0.682 50 40 CBGB OB(O)c1cccc(Cl)c1CN1CCOCC1 169995204 NVCYJWADWXOQCF-UHFFFAOYSA-N 255.510 -0.148 50 40 CBGB NS(=O)(=O)c1ccc(NC(=S)NNC=O)cc1 17007285 WEJOAEGABIEJNH-UHFFFAOYSA-N 274.327 -0.719 50 40 CBGB COc1ccc(C(=O)O)c(C(=O)NNC(N)=S)c1OC 36621708 WMBIMEJMPGUEKK-UHFFFAOYSA-N 299.308 -0.120 50 40 CBGB CN(C)NC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167731 YFXSKXABSXOKBN-WDSKDSINSA-N 271.795 -0.669 50 40 CBGB COC(=O)COc1ccc(/C=N/NC(=O)CO)cc1 58882215 LNWPOMQPAWHRHL-AWNIVKPZSA-N 266.253 -0.319 50 40 CBGB CNS(=O)(=O)c1ccc(CCC(=O)NN)cc1 408589455 HTOHUMZOPWWYLV-UHFFFAOYSA-N 257.315 -0.483 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2ccc(F)cc2)n1 547693 KTZDVDMKAPESLR-WLRTZDKTSA-N 263.236 -0.455 50 40 CBGB CCOC(=O)CCN[C@H]1N[C@@H](Cl)N[C@@H](C)[C@@H]1[N+](=O)[O-] 19326239 ACLUZUPIYNMEGN-LKEDHPFLSA-N 294.739 -0.396 50 40 CBGB COc1cc(/C=N/NC(=O)C(N)=O)cc([N+](=O)[O-])c1O 36288188 OCMRKCVZAPTANC-UUILKARUSA-N 282.212 -0.756 50 40 CBGB CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CO)C1 95465034 IGYBFLCWNBWDOQ-VIFPVBQESA-N 271.317 -0.835 50 40 CBGB Cn1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)n1 2743692 QEURJXGWTPNLNT-QMMMGPOBSA-N 283.357 -0.292 50 40 CBGB CN1C(=O)[C@]2(C(=O)N[C@@]3(O)CCCC[C@]32C)C(C#N)=C1N 96336684 INNMNVSMCNFFFT-MGPQQGTHSA-N 290.323 -0.463 50 40 CBGB O=C(CNc1nnc(O)nc1O)N/N=C/c1ccccc1 13638485 PDLAYKOXZUSYNZ-MKMNVTDBSA-N 288.267 -0.155 50 40 CBGB COc1cc(OC)cc(C(=O)NCC(=O)NN)c1 2451347 XENWRQOHBLRHLU-UHFFFAOYSA-N 253.258 -0.577 50 40 CBGB N#Cc1ccc(NC(=O)COCC(=O)NNC(N)=O)cc1 4689599 ATAVBKSRTFUHKT-UHFFFAOYSA-N 291.267 -0.787 50 40 CBGB O=C(O)/C=C/C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 2026423 ADRBOUHHCXLSOZ-AATRIKPKSA-N 279.208 -0.003 50 40 CBGB COCCCNC(=O)C(=O)N/N=C/c1cccc(O)c1 7813131 AYOLINOYKBLREN-OQLLNIDSSA-N 279.296 -0.005 50 40 CBGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@H](CC(C)C)NC(N)=O 25390562 HHGRCCKTTFKPNS-DDXVTDLHSA-N 296.327 -0.062 50 40 CBGB COc1ccc(/C=N/NC(=O)Cc2nn[nH]n2)cc1 6736415 MZMWXNCBDICVDV-KPKJPENVSA-N 260.257 -0.099 50 40 CBGB Cc1ccc(N(CC(=O)NN)S(C)(=O)=O)cc1 20416448 PKIHWSAERSMTCK-UHFFFAOYSA-N 257.315 -0.249 50 40 CBGB CN(C)S(=O)(=O)NCC(=O)NN=Cc1ccccc1 15938231 YZPXGIHQUUNOTF-UHFFFAOYSA-N 284.341 -0.467 50 40 CBGB CCCCC(=O)NNC=C1C(=O)NC(=O)NC1=O 6263944 SXVLBNPLMJCMNS-UHFFFAOYSA-N 254.246 -0.953 50 40 CBGB Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C]1O 1560411853 XLOTXDYXWGHMBA-FAWMWEEZSA-N 284.683 -0.190 50 40 CBGB COc1ccc(OCC(=O)NNC(N)=S)cc1 9286943 UDGMSJWDGCWVME-UHFFFAOYSA-N 255.299 -0.062 50 40 CBGB COc1cccc(/C=N/NC(=O)[C@H]2C=NNC2=O)c1O 100948940 PVBCRWTVFMPVCG-BWJGRMQRSA-N 276.252 -0.417 50 40 CBGB CN(Cc1ccc(/C=N/NC(N)=O)o1)S(C)(=O)=O 217037967 KDALSIRRQNGFPS-VZUCSPMQSA-N 274.302 -0.327 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C/C(=N\NC(N)=O)[C@H]4[C@H]3C[C@H]2[C@@H]14 261361243 VGAPAJONVCYASD-IHIBHLADSA-N 290.327 -0.043 50 40 CBGB NC(=O)N/N=C1/C[C@H]2[C@H]3C[C@H]4[C@H](/C(=N\NC(N)=O)C[C@@H]42)[C@@H]13 104202547 VGAPAJONVCYASD-DSJFBZOZSA-N 290.327 -0.043 50 40 CBGB CC(C)(C)OC(=O)[C@@H](N)c1cnccc1B(O)O 203649993 BQGGWYCQXXRJSD-VIFPVBQESA-N 252.079 -0.897 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2ccc3c(c2)OCO3)n1 547581 YOVWPCBFMRAKGX-YIXHJXPBSA-N 289.255 -0.866 50 40 CBGB C[C@H]1[C@H](/C=N/NC(N)=O)C(N)=C(C#N)C1(C#N)C#N 4730226 LXSXZMCBMRMXKI-XNDRJEPTSA-N 257.257 -0.324 50 40 CBGB CCCCC(=O)NNC=C1C(=O)N(C)C(=O)N(C)C1=O 5844720 YZASDUNYTAXQQB-UHFFFAOYSA-N 282.300 -0.268 50 40 CBGB COc1cccc(-c2ncc(CC(=O)NN)c(=O)[nH]2)c1 223458186 PCOWAEHRLCDSCZ-UHFFFAOYSA-N 274.280 -0.022 50 40 CBGB CC[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2cn[nH]c2)O1 79094909 HZFYLSZXJCHING-CBAPKCEASA-N 288.329 -0.323 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2cccc(O)c2)n1 547373 KPZWLGODAGNXOH-LFYBBSHMSA-N 261.245 -0.889 50 40 CBGB Cc1ccccc1/C=N/NC(=O)Cn1nnnc1N 547568 AEDUJGMAQCDPAL-AWNIVKPZSA-N 259.273 -0.286 50 40 CBGB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NN)cc1 32780756 MWWSNZFWEKPFEE-KOLCDFICSA-N 299.352 -0.891 50 40 CBGB COc1cc(/C(C)=N/NC(=O)[C@H]2C=NNC2=O)ccc1O 100948975 TZUJWEURBZCVQF-HXBVQPGFSA-N 290.279 -0.027 50 40 CBGB Cc1cc(C)nc(/N=C(\N)N2CCC[C@@H](C(=O)NN)C2)n1 8491497 LNRZPLKCVXIQGA-SNVBAGLBSA-N 291.359 -0.258 50 40 CBGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnn[nH]2)cc1 6998972 BKXNZKOILBXVTB-MDWZMJQESA-N 273.300 -0.042 50 40 CBGB NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 36724775 FNRQJRUNTLQJCG-UHFFFAOYSA-N 262.313 -0.566 50 40 CBGB C#CCN1CCCC[C@@H]1C(=O)NNc1nnc(C)c(O)n1 69255572 FEBRNWPQJIESPU-SNVBAGLBSA-N 290.327 -0.184 50 40 CBGB CNC(=O)NNC(=O)CNC(=O)Nc1ccc(F)cc1 2141254 GGHURDORKULGOB-UHFFFAOYSA-N 283.263 -0.093 50 40 CBGB CN(c1ccc(CC(=O)NN)cc1)S(C)(=O)=O 226106075 NDZWPZWOICNLOF-UHFFFAOYSA-N 257.315 -0.385 50 40 CBGB O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccco1 1910950 GVPILCYPPCJNKW-NYYWCZLTSA-N 295.280 -0.706 50 40 CBGB Nc1nnnn1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1831165 BFLSMDVFARHMCC-LFYBBSHMSA-N 290.243 -0.686 50 40 CBGB CC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 971841 PVVAMDPLAXZPDC-UHFFFAOYSA-N 259.243 -0.076 50 40 CBGB CCC1(CCNC(=O)CCl)C(=O)NC(=O)NC1=O 1752195 QJJUPRRRGWGMFX-UHFFFAOYSA-N 275.692 -0.506 50 40 CBGB COC[C@H]1CCCN([C@@H](C)C(=O)NNC(C)=O)C1 96004055 ONVNBCPIQTVTIC-ONGXEEELSA-N 257.334 -0.099 50 40 CBGB CC(C)OC[C@@H](O)C[C@H](CCC(=O)O)C(=O)NN 2273593 JBBSIABCCOLAFQ-IUCAKERBSA-N 262.306 -0.367 50 40 CBGB COC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-] 11678038 OVGGLBAWFMIPPY-UHFFFAOYSA-N 262.225 -0.204 50 40 CBGB O=C(CBr)NCC(=O)ON1C(=O)CCC1=O 100266209 ZEYHJJIGNLVTLZ-UHFFFAOYSA-N 293.073 -0.895 50 40 CBGB COc1cc(/C=N/NC(=O)C(N)=O)cc(OC)c1 3526924 ZCGVNKAZKWDPQL-AWNIVKPZSA-N 251.242 -0.361 50 40 CBGB NNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]21 4015356 KOZWHQPRAOJMBN-LKEWCRSYSA-N 258.347 -0.298 50 40 CBGB in-vitro NNC(=O)CC1=NS(=O)(=O)c2ccccc2N1 71195815 NSSNMEGMJRCPGO-UHFFFAOYSA-N 254.271 -0.421 50 40 CBGB N#CCC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-] 299888504 MBCZYLSVSCJJJQ-UHFFFAOYSA-N 271.236 -0.530 50 40 CBGB C[C@H](Cl)C(=O)NO[C@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 1570003523 PORHZIFFNUZXRC-HRLNEBMISA-N 253.682 -0.482 50 40 CBGB CN1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101319089 JAKDZJVSEIUEES-OKWDAHOJSA-N 282.774 -0.048 50 40 CBGB NC(=S)NNC(=O)CN1C(=O)c2ccccc2C1=O 6576038 NJNFZLVLQHNOHK-UHFFFAOYSA-N 278.293 -0.853 50 40 CBGB CN1C(=O)[C@]2(C(=O)N[C@@]3(O)CCCC[C@@]32C)C(C#N)=C1N 96336686 INNMNVSMCNFFFT-BFHYXJOUSA-N 290.323 -0.463 50 40 CBGB COc1ccc(CN2CCOCC2)cc1B(O)O 169907064 PBBRXVQPCDQGJN-UHFFFAOYSA-N 251.091 -0.793 50 40 CBGB in-vitro O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)OC[C@@H]2CO2)C1 216182710 MYVICXDRKWPYLR-RRKCRQDMSA-N 285.774 -0.319 50 40 CBGB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN 8218631 ZFCQYNGHNRGNTM-LURJTMIESA-N 277.733 -0.003 50 40 CBGB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCl 4219106 LRQJYPWDRMIEDJ-MRVPVSSYSA-N 296.776 -0.623 50 40 CBGB Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@H](O)[C@@H]1O 12360705 IYSNPOMTKFZDHZ-XJCFNFQFSA-N 285.691 -0.734 50 40 CBGB CCn1nc(C)c(/C=N/NC(=O)Cn2nnnc2N)c1C 547471 PBQCPSIMELBFAM-WLRTZDKTSA-N 291.319 -0.761 50 40 CBGB COc1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1 547347 APFRSKHNHQDMTM-AWNIVKPZSA-N 275.272 -0.586 50 40 CBGB O=C1NC(=O)C(=NNC(=O)c2cccc(Cl)c2)C(=O)N1 18193812 ALWXNEDEDBXUMK-UHFFFAOYSA-N 294.654 -0.208 50 40 CBGB CN1CC[C@H](C(=O)NNC(=O)c2ccccn2)CC1=O 44268557 PQVPLYVHGKRAOT-VIFPVBQESA-N 276.296 -0.289 50 40 CBGB COCCNC(=O)CC(=O)N/N=C/c1ccco1 59515863 ZPODCLOUBBWMCF-MDWZMJQESA-N 253.258 -0.118 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C/C(=N\NC(N)=O)[C@H]4[C@H]3C[C@H]2[C@H]14 230034460 VGAPAJONVCYASD-BUHLDVDBSA-N 290.327 -0.043 50 40 CBGB COc1cccc(/C=N/NC(=O)Cn2nnc(N)n2)c1 547751 HYWXESZTYQHDQU-AWNIVKPZSA-N 275.272 -0.586 50 40 CBGB COc1cc(/C=N/NC(=O)C2=NNC(=O)[C@@H]2C)ccc1O 101646870 CAKHHBKJGKGAJZ-IOCLVDNSSA-N 290.279 -0.027 50 40 CBGB CC(=O)N/N=C1/C(=O)N(CC(=O)O)c2ccccc21 85077 SKXUGYZSXJRNTG-SDNWHVSQSA-N 261.237 -0.042 50 40 CBGB Nc1nonc1-n1nncc1C(=O)N/N=C/c1ccccc1 208219 CZHSFDKEUDPUNI-MKMNVTDBSA-N 298.266 -0.004 50 40 CBGB CC(C)OC[C@@H](O)C[C@@H](CCC(=O)O)C(=O)NN 2273591 JBBSIABCCOLAFQ-BDAKNGLRSA-N 262.306 -0.367 50 40 CBGB CN1C(=O)[C@@]2(C(=O)N[C@](C)(O)C2(C)C)C(C#N)=C1N 96336920 FORYSCXILAPRAD-NEPJUHHUSA-N 264.285 -0.997 50 40 CBGB Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cnccn1 71284142 OUOFOKXGNYDFPB-UHFFFAOYSA-N 296.312 -0.858 50 40 CBGB CS(=O)(=O)N(CC(=O)NN)Cc1ccc(F)cc1 408613457 ULSSRXVABVEHHU-UHFFFAOYSA-N 275.305 -0.423 50 40 CBGB C[C@@]12CCCC[C@@]1(O)NC(=O)[C@]21C(=O)NC(N)=C1C#N 100252908 BFMIBMWCULQSAE-AGIUHOORSA-N 276.296 -0.805 50 40 CBGB CCN(CC)CCN(NC(C)C)C(=O)C1=NNC(=O)C1 101510496 OLQOWJVSWPEVSA-UHFFFAOYSA-N 283.376 -0.054 50 40 CBGB Cc1cn2c(nc1=O)O[C@@H]1[C@@H](O)[C@@H](CCl)O[C@H]12 5759112 KNFWWEWYLXKFOP-JVZYCSMKSA-N 258.661 -0.190 50 40 CBGB CCn1nc(C)c(/C=N/NC(=O)Cn2nnc(N)n2)c1C 547674 MMHVAAONWZWEGH-WLRTZDKTSA-N 291.319 -0.761 50 40 CBGB CN(C)c1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1 548455 HXTDENFHQHBGMH-VGOFMYFVSA-N 288.315 -0.528 50 40 CBGB N#Cc1cccc([C@H](O)Cn2cc(C(=O)NN)nn2)c1 98211074 MJGWXMWKQYGYBB-LLVKDONJSA-N 272.268 -0.513 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2c[nH]c3ccccc23)n1 547312 BMWYGBLFGNLHTQ-GIDUJCDVSA-N 284.283 -0.113 50 40 CBGB CCNc1nc(S[C@@H](C)C(=O)NN)nc(N(C)C)n1 1419235 XFFHLBQPRCVARD-LURJTMIESA-N 285.377 -0.160 50 40 CBGB N#Cc1cn(N(CCCl)CCCl)c(=O)[nH]c1=O 1690471 UDKRJHMLPFBGCK-UHFFFAOYSA-N 277.111 -0.176 50 40 CBGB COCCNC(=S)NNC(=O)c1ccncc1 4576065 JOLSXIKDMLVDDR-UHFFFAOYSA-N 254.315 -0.163 50 40 CBGB C[C@@H]1[C@H](/C=N/NC(N)=O)C(N)=C(C#N)C1(C#N)C#N 20791387 LXSXZMCBMRMXKI-RQEZURLFSA-N 257.257 -0.324 50 40 CBGB CN(C)NC(=O)CNS(=O)(=O)c1ccccc1 95116899 JDZJFKDBKFGKCD-UHFFFAOYSA-N 257.315 -0.442 50 40 CBGB COCC(=O)N/N=C(\C)CC(=O)NC[C@H]1CCCO1 14923049 BSVDSIZZAOCLCK-GMROUXNLSA-N 271.317 -0.190 50 40 CBGB O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccn1 29463339 RVXFXCHNRCOQSO-SECBINFHSA-N 288.307 -0.147 50 40 CBGB COc1cc(B(O)O)c(Br)c(OC)n1 642814612 MUMZDOBXDCNVNV-UHFFFAOYSA-N 261.868 -0.459 50 40 CBGB Cn1c(=O)cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]c1=O 8913831 RSZUJISUKGMDJN-VIZOYTHASA-N 290.254 -0.023 50 40 CBGB Nc1n[nH]c(C(=O)NN=Cc2cccc3c2OCO3)n1 254836341 ITJRWJPCQSXCJZ-UHFFFAOYSA-N 274.240 -0.121 50 40 CBGB NNC(=O)CCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 27986411 XRLMMYMDUXHQEY-NTUHNPAUSA-N 279.256 -0.185 50 40 CBGB NNC(=O)C[C@@H](C(=O)NN)c1cccc(Cl)c1 57351470 RKEHINQQYBKBPJ-MRVPVSSYSA-N 256.693 -0.207 50 40 CBGB Cc1cc(N)nc(N2CCC[C@H](C(=O)NN)C2)n1 95117401 MFJLBCMBZRQYFF-QMMMGPOBSA-N 250.306 -0.426 50 40 CBGB NC(=O)N/N=C1/C[C@@H]2[C@@H]3C[C@H]4[C@H](/C(=N\NC(N)=O)C[C@H]24)[C@@H]13 230034453 VGAPAJONVCYASD-VXWKORNRSA-N 290.327 -0.043 50 40 CBGB COCCCNC(=O)C(=O)N/N=C/c1ccc(O)cc1 7812972 LYQNHUHEHDZEGG-OQLLNIDSSA-N 279.296 -0.005 50 40 CBGB Cc1ccc2c(c1)C1(OCCO1)C(=O)N2CC(=O)NN 3213424 YWQYTKVDTIQHCU-UHFFFAOYSA-N 277.280 -0.469 50 40 CBGB O=c1nc2n(cc1F)[C@H]1O[C@@H](CCl)[C@@H](O)[C@@H]1O2 5759106 QBZBYQZLEPKPMT-GCJQMDKQSA-N 262.624 -0.360 50 40 CBGB O=S1(=O)OCCOS(=O)(=O)C1Br 73257813 BVKYBJRXHXMTSV-UHFFFAOYSA-N 281.105 -0.629 50 40 CBGB O=C(Cn1cnnn1)NNC(=O)c1ccc(F)cc1F 31264 YLLKPODIDPLTHW-UHFFFAOYSA-N 282.210 -0.588 50 40 CBGB NNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O 9486438 LCAZPUVRAIDEPJ-UHFFFAOYSA-N 262.269 -0.540 50 40 CBGB CS(=O)(=O)C(Br)S(C)(=O)=O 5046636 OZLGMBBXAXQUHB-UHFFFAOYSA-N 251.123 -0.246 50 40 CBGB CN(C)S(=O)(=O)NNC(=O)c1ccc(O)cc1 45929434 WKZJLTMMVFHZKX-UHFFFAOYSA-N 259.287 -0.567 50 40 CBGB Nc1n[nH]c(C(=O)N/N=C\c2cccc3c2OCO3)n1 5427738 ITJRWJPCQSXCJZ-PQMHYQBVSA-N 274.240 -0.121 50 40 CBGB Cc1cn([C@@H]2C[C@@H](Cl)[C@@H](CO)O2)c(=O)[nH]c1=O 28259655 KQVJDKGDGLWBQT-PRJMDXOYSA-N 260.677 -0.268 50 40 CBGB CN(C)CCCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O 72415055 VZJVTGXUHJBFOE-UHFFFAOYSA-N 288.735 -0.508 50 40 CBGB Cc1cc(C)nc(/N=C(\N)N2CCC[C@H](C(=O)NN)C2)n1 8491496 LNRZPLKCVXIQGA-JTQLQIEISA-N 291.359 -0.258 50 40 CBGB Nc1nnn(CC(=O)N/N=C/c2ccc(O)cc2)n1 548385 BNXCCMJVBWHYGP-LFYBBSHMSA-N 261.245 -0.889 50 40 CBGB CCCCC[C@@]1(/C=N/NC(N)=O)NC(=O)NC1=O 1602421 ZCLCFAMELJXQJI-PQTFEYQYSA-N 255.278 -0.201 50 40 CBGB COc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1OC 2751605 NPAHBUGEZFJMEV-MKMNVTDBSA-N 281.268 -0.352 50 40 CBGB CC(C)Cn1c(NNC=O)nc2c1c(=O)[nH]c(=O)n2C 2294604 MHWCRGBKNRIMQF-UHFFFAOYSA-N 280.288 -0.848 50 40 CBGB NNC(=O)C12C[C@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 100772189 QAYHKYYRFKPJAH-WWAQEKKBSA-N 262.317 -0.042 50 40 CBGB NNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CCC2 6759953 SXPZJVCOIPIAPT-UHFFFAOYSA-N 269.282 -0.137 50 40 CBGB CN1C(=O)[C@]2(C(=O)N[C@]3(O)CCCC[C@]32C)C(C#N)=C1N 96336687 INNMNVSMCNFFFT-HZSPNIEDSA-N 290.323 -0.463 50 40 CBGB CC(=O)NNC(=O)Cc1nc2nc(C)cc(C)n2n1 6754715 LKUHGOZFAPLKID-UHFFFAOYSA-N 262.273 -0.549 50 40 CBGB COC(=O)c1c(NC(=O)C(=O)NN)sc2c1CCC2 6760555 ILBRORXPDHNEDS-UHFFFAOYSA-N 283.309 -0.048 50 40 CBGB COc1ccccc1[C@H](O)Cn1cc(C(=O)NN)nn1 80316352 MMXHXUGPUOCDFI-SNVBAGLBSA-N 277.284 -0.376 50 40 CBGB Cc1cn2c(nc1=O)O[C@@H]1[C@@H]2O[C@H](CCl)[C@@H]1O 5759110 KNFWWEWYLXKFOP-XKBZYTNZSA-N 258.661 -0.190 50 40 CBGB NNC(=O)Cc1cnc(Cc2ccccc2)[nH]c1=O 223454168 ZYUUCJYMQQHJCP-UHFFFAOYSA-N 258.281 -0.107 50 40 CBGB O=C1NC(=O)C(=CNCCBr)C(=O)N1 5822446 ISWYTPXUZZYTHP-UHFFFAOYSA-N 262.063 -0.779 50 40 CBGB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NN)cc1 3070573 UGKGZXPDNDRWHM-MRVPVSSYSA-N 257.315 -0.348 50 40 CBGB CC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 411371 NUTZUHOFXCKGOS-UHFFFAOYSA-N 260.257 -0.493 50 40 CBGB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1 16691833 SVJFCUFDWVQUQR-UHFFFAOYSA-N 287.341 -0.304 50 40 CBGB NNC(=O)CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 27986406 IEVUZDIOQSQRLG-NTUHNPAUSA-N 279.256 -0.185 50 40 CBGB CN1C(=O)C[C@@H](NNC(=O)c2cccc(F)c2)C1=O 101471321 ZHRLYRDGCIDOIF-SECBINFHSA-N 265.244 -0.183 50 40 CBGB O=C1CC[C@@H](N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)C(=O)O1 104156889 QYMWCZUEONNQGM-NWQNCHOTSA-N 279.248 -0.619 50 40 CBGB O=C(O)/C=C1/S/C(=N/NC(=O)c2cccnc2)NC1=O 5242808 WDWAJGFFPSMECJ-QPJJXVBHSA-N 292.276 -0.086 50 40 CBGB CCCNS(=O)(=O)c1cccc(C(=O)NN)c1 225499167 JEJIVKOIVQCXBF-UHFFFAOYSA-N 257.315 -0.022 50 40 CBGB CC(C)OC[C@H](O)C[C@H](CCC(=O)O)C(=O)NN 2273592 JBBSIABCCOLAFQ-DTWKUNHWSA-N 262.306 -0.367 50 40 CBGB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCl 13534041 RSLPGWDVPNKNMZ-SSDOTTSWSA-N 262.693 -0.495 50 40 CBGB CC(C)C(=O)NCCNC(=O)NNC(=O)c1cnccn1 12984846 QORRTJPETATPJS-UHFFFAOYSA-N 294.315 -0.807 50 40 CBGB COCCNNC(=O)C(=O)Nc1ccc(OC)c(OC)c1 59516218 BIRBLOOHTXPCJI-UHFFFAOYSA-N 297.311 -0.091 50 40 CBGB O=C(CN1CSCC1=O)NNC(=O)c1ccccc1 8350151 RYJGENXOTWSOFB-UHFFFAOYSA-N 279.321 -0.020 50 40 CBGB