smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909772 721564817 /nfs/dbraw/zinc/56/48/17/721564817.db2.gz UWBCPOVVRNYBFD-RDJZCZTQSA-N 0 3 392.438 2.263 20 30 GEEDHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C=NO)c1 ZINC001164980288 722133949 /nfs/dbraw/zinc/13/39/49/722133949.db2.gz MNVUHMDYPIVHNN-AZUAARDMSA-N 0 3 381.480 2.320 20 30 GEEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)N(CC)C2CCCCC2)s1 ZINC000479014240 531351771 /nfs/dbraw/zinc/35/17/71/531351771.db2.gz RYRAFRRIJUUYNW-GFCCVEGCSA-N 0 3 386.543 2.479 20 30 GEEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155193909 531664049 /nfs/dbraw/zinc/66/40/49/531664049.db2.gz VCZJFJAYTOZFOZ-UHFFFAOYSA-N 0 3 386.315 2.283 20 30 GEEDHN N#Cc1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(Br)c1 ZINC000160787457 531815916 /nfs/dbraw/zinc/81/59/16/531815916.db2.gz MZWIAXILOUCJML-INIZCTEOSA-N 0 3 377.286 2.239 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000173272110 532001556 /nfs/dbraw/zinc/00/15/56/532001556.db2.gz WTKRGFLYPXXTEB-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177977058 532188790 /nfs/dbraw/zinc/18/87/90/532188790.db2.gz FHYWXESGXZKIDJ-UHFFFAOYSA-N 0 3 383.290 2.310 20 30 GEEDHN CC(C)(COc1ncccc1Br)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000180395021 532270186 /nfs/dbraw/zinc/27/01/86/532270186.db2.gz ITXHCZSXFLICSZ-QGZVFWFLSA-N 0 3 395.301 2.400 20 30 GEEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)n1 ZINC000181773071 532306794 /nfs/dbraw/zinc/30/67/94/532306794.db2.gz LYUPXRKLJONMSU-LBPRGKRZSA-N 0 3 380.495 2.345 20 30 GEEDHN CN(C)C1(CN(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CCC1 ZINC000189137610 532351093 /nfs/dbraw/zinc/35/10/93/532351093.db2.gz HMIPLCRDONQBGU-UHFFFAOYSA-N 0 3 386.315 2.426 20 30 GEEDHN C[C@@H]1CSCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000190482623 532356210 /nfs/dbraw/zinc/35/62/10/532356210.db2.gz RDFUGHVJYZQUJX-HOTGVXAUSA-N 0 3 378.567 2.142 20 30 GEEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000590665447 532381180 /nfs/dbraw/zinc/38/11/80/532381180.db2.gz IIQCWNQRNZMMJQ-CYBMUJFWSA-N 0 3 378.270 2.396 20 30 GEEDHN CCCCN(C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425742027 532392426 /nfs/dbraw/zinc/39/24/26/532392426.db2.gz MFRRRTKBZKEDER-UHFFFAOYSA-N 0 3 395.301 2.416 20 30 GEEDHN CN(C)CCOc1ccc(CCNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593542083 532485312 /nfs/dbraw/zinc/48/53/12/532485312.db2.gz DQBXPLWSGNSWSV-UHFFFAOYSA-N 0 3 379.507 2.081 20 30 GEEDHN Cc1c(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)ccc(Br)c1C#N ZINC000563620591 532506494 /nfs/dbraw/zinc/50/64/94/532506494.db2.gz ZAAVTIIRSVCKMQ-LLVKDONJSA-N 0 3 393.285 2.026 20 30 GEEDHN CN1CCN(CCNC(=O)c2ccc(Br)cc2C#N)CC1(C)C ZINC000296256387 532509751 /nfs/dbraw/zinc/50/97/51/532509751.db2.gz PQOQZKOLKBBBOH-UHFFFAOYSA-N 0 3 379.302 2.077 20 30 GEEDHN Cc1ccc2c(ncc(C#N)c2N2CCN3C[C@H](O)C[C@H]3C2)c1Br ZINC000594603030 532514668 /nfs/dbraw/zinc/51/46/68/532514668.db2.gz HLGUDFIVXMWEPF-UONOGXRCSA-N 0 3 387.281 2.433 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654107446 532549800 /nfs/dbraw/zinc/54/98/00/532549800.db2.gz FIOOLQIWGDUVRW-UONOGXRCSA-N 0 3 396.285 2.297 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000264470213 532677273 /nfs/dbraw/zinc/67/72/73/532677273.db2.gz ITJDQDRDGFQVGQ-UHFFFAOYSA-N 0 3 377.539 2.452 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000299330629 532711229 /nfs/dbraw/zinc/71/12/29/532711229.db2.gz QVBNEPZLHMRINT-UHFFFAOYSA-N 0 3 393.281 2.182 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000286460976 532748389 /nfs/dbraw/zinc/74/83/89/532748389.db2.gz IBNWFBPCNBXCPM-UHFFFAOYSA-N 0 3 398.301 2.157 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000286493816 532750900 /nfs/dbraw/zinc/75/09/00/532750900.db2.gz MTHFUNANXLDYMW-ZDUSSCGKSA-N 0 3 394.313 2.393 20 30 GEEDHN CCN1CCC(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000584567208 532770114 /nfs/dbraw/zinc/77/01/14/532770114.db2.gz GKWFIWGPUWHRQV-UHFFFAOYSA-N 0 3 386.315 2.331 20 30 GEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000411643672 532772420 /nfs/dbraw/zinc/77/24/20/532772420.db2.gz PPRIBWAEJSOGRR-UHFFFAOYSA-N 0 3 387.933 2.122 20 30 GEEDHN Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CN4CCN3CCC4)nc12 ZINC000329564689 532808867 /nfs/dbraw/zinc/80/88/67/532808867.db2.gz KGMKIJXKKRKBQC-HNNXBMFYSA-N 0 3 392.301 2.252 20 30 GEEDHN CN(CCNS(=O)(=O)c1cccc(Br)c1C#N)C1CCCC1 ZINC000330680611 532825156 /nfs/dbraw/zinc/82/51/56/532825156.db2.gz YVLXZJAQOVGOOX-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN CN1CCC(O)(CNC(=O)Nc2ccccc2I)CC1 ZINC000330875138 532828949 /nfs/dbraw/zinc/82/89/49/532828949.db2.gz UFRRNRBFNTUUDH-UHFFFAOYSA-N 0 3 389.237 2.074 20 30 GEEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331220953 532836139 /nfs/dbraw/zinc/83/61/39/532836139.db2.gz UUHHBBUWLLYKBX-CYBMUJFWSA-N 0 3 386.315 2.426 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000274181646 532843598 /nfs/dbraw/zinc/84/35/98/532843598.db2.gz JPPTZPIBZDEFNC-UHFFFAOYSA-N 0 3 389.297 2.367 20 30 GEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)cc1Br ZINC000415433224 532845612 /nfs/dbraw/zinc/84/56/12/532845612.db2.gz ABHKDIJOEPNYDH-HNNXBMFYSA-N 0 3 393.285 2.283 20 30 GEEDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000292903687 532919620 /nfs/dbraw/zinc/91/96/20/532919620.db2.gz ACQFKZCZQCJQRC-UHFFFAOYSA-N 0 3 393.285 2.107 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000293229327 532923760 /nfs/dbraw/zinc/92/37/60/532923760.db2.gz CFFSFLJTTFSPOP-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1nc(Br)ccc1Br ZINC000294040272 532935051 /nfs/dbraw/zinc/93/50/51/532935051.db2.gz SLBKPUUSRIXKSR-UHFFFAOYSA-N 0 3 389.091 2.292 20 30 GEEDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569047 608484322 /nfs/dbraw/zinc/48/43/22/608484322.db2.gz GBMBEPPOFACHDO-KDOFPFPSSA-N 0 3 378.436 2.023 20 30 GEEDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569047 608484324 /nfs/dbraw/zinc/48/43/24/608484324.db2.gz GBMBEPPOFACHDO-KDOFPFPSSA-N 0 3 378.436 2.023 20 30 GEEDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569049 608484551 /nfs/dbraw/zinc/48/45/51/608484551.db2.gz GBMBEPPOFACHDO-RDTXWAMCSA-N 0 3 378.436 2.023 20 30 GEEDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569049 608484552 /nfs/dbraw/zinc/48/45/52/608484552.db2.gz GBMBEPPOFACHDO-RDTXWAMCSA-N 0 3 378.436 2.023 20 30 GEEDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000826176330 608533771 /nfs/dbraw/zinc/53/37/71/608533771.db2.gz KTCKKDNBBFQTAK-UHFFFAOYSA-N 0 3 376.420 2.405 20 30 GEEDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448975841 650027906 /nfs/dbraw/zinc/02/79/06/650027906.db2.gz QWCIUGHWXDLVGQ-ZDUSSCGKSA-N 0 3 379.302 2.077 20 30 GEEDHN C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000450077992 650059638 /nfs/dbraw/zinc/05/96/38/650059638.db2.gz VOEXMISDSRMPEP-WCQYABFASA-N 0 3 378.270 2.441 20 30 GEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453361746 650208555 /nfs/dbraw/zinc/20/85/55/650208555.db2.gz PIGBLCJXIUAONI-WQAKAFBOSA-N 0 3 375.288 2.091 20 30 GEEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cnn(C)c1C#N ZINC000475311126 650531823 /nfs/dbraw/zinc/53/18/23/650531823.db2.gz GXRLQIWZKCHFCQ-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN C=CCN1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000524896076 650648041 /nfs/dbraw/zinc/64/80/41/650648041.db2.gz GDLBDMNECYIIGF-UHFFFAOYSA-N 0 3 386.905 2.483 20 30 GEEDHN C#CCN1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000050024903 642675739 /nfs/dbraw/zinc/67/57/39/642675739.db2.gz YFQHQLZFGABCHZ-UHFFFAOYSA-N 0 3 392.297 2.157 20 30 GEEDHN N#CC(C(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000123458556 643671946 /nfs/dbraw/zinc/67/19/46/643671946.db2.gz DGKSLNGIXSVVMQ-LLVKDONJSA-N 0 3 382.163 2.446 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000193416698 645270822 /nfs/dbraw/zinc/27/08/22/645270822.db2.gz LYQZYLJVKRGKJK-CYBMUJFWSA-N 0 3 377.853 2.477 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000270956112 646158162 /nfs/dbraw/zinc/15/81/62/646158162.db2.gz ZKNJJSHNLOJLBX-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278937454 646564132 /nfs/dbraw/zinc/56/41/32/646564132.db2.gz XBWOXHGGVGHXQF-KRWDZBQOSA-N 0 3 390.325 2.489 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000279565048 646612126 /nfs/dbraw/zinc/61/21/26/646612126.db2.gz PEKRRFXSDAHJOF-UHFFFAOYSA-N 0 3 385.555 2.381 20 30 GEEDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000281419516 646770493 /nfs/dbraw/zinc/77/04/93/646770493.db2.gz FVNYVMJDZNLWBY-UHFFFAOYSA-N 0 3 386.315 2.427 20 30 GEEDHN O=C(NC[C@@]1(O)CCSC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000329974384 647326846 /nfs/dbraw/zinc/32/68/46/647326846.db2.gz DAHYZNQYBKFIKK-PIMMBPRGSA-N 0 3 381.464 2.163 20 30 GEEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416411937 648117543 /nfs/dbraw/zinc/11/75/43/648117543.db2.gz LGSMTPIMFSEQNJ-CQSZACIVSA-N 0 3 386.315 2.426 20 30 GEEDHN CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424122153 648614244 /nfs/dbraw/zinc/61/42/44/648614244.db2.gz GOKVZWFQAICBLN-JTQLQIEISA-N 0 3 378.376 2.037 20 30 GEEDHN C=C(Br)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000731472579 651626019 /nfs/dbraw/zinc/62/60/19/651626019.db2.gz GJQSMKWQFHUFRW-UHFFFAOYSA-N 0 3 390.285 2.202 20 30 GEEDHN N#Cc1cc(F)c(NCCCCN2CCN(CCO)CC2)cc1Br ZINC000568664358 651675026 /nfs/dbraw/zinc/67/50/26/651675026.db2.gz QDJATJVRFTTZGQ-UHFFFAOYSA-N 0 3 399.308 2.262 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1N1CCCC1 ZINC000570276331 651757025 /nfs/dbraw/zinc/75/70/25/651757025.db2.gz HCIPABOJPVRRCL-QZTJIDSGSA-N 0 3 379.551 2.094 20 30 GEEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000619465575 652059879 /nfs/dbraw/zinc/05/98/79/652059879.db2.gz DKHKEOSBUIYVBY-JTQLQIEISA-N 0 3 391.324 2.279 20 30 GEEDHN CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H](N)CCCCC#N ZINC000594425956 652648493 /nfs/dbraw/zinc/64/84/93/652648493.db2.gz NNBQXSOKCOVXTG-CYBMUJFWSA-N 0 3 381.274 2.257 20 30 GEEDHN COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](N)CCCC#N)C2 ZINC000595991657 652746228 /nfs/dbraw/zinc/74/62/28/652746228.db2.gz FTUBNSYNACFWCF-VIFPVBQESA-N 0 3 386.271 2.161 20 30 GEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)S(C)(=O)=O ZINC000764445811 652800208 /nfs/dbraw/zinc/80/02/08/652800208.db2.gz BAQLPSMYWCDOAC-LBPRGKRZSA-N 0 3 379.507 2.228 20 30 GEEDHN CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCC1(C)C ZINC000874099443 653262958 /nfs/dbraw/zinc/26/29/58/653262958.db2.gz YUHQHCMGALFVQJ-UHFFFAOYSA-N 0 3 393.285 2.202 20 30 GEEDHN C#C[C@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1ccc(Br)cc1 ZINC000836317108 653344194 /nfs/dbraw/zinc/34/41/94/653344194.db2.gz COQSBCSMRXMNQG-CVEARBPZSA-N 0 3 380.286 2.143 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000836490179 653355864 /nfs/dbraw/zinc/35/58/64/653355864.db2.gz MHGQMBKZIUMUSV-UHFFFAOYSA-N 0 3 380.286 2.308 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000876609388 653437567 /nfs/dbraw/zinc/43/75/67/653437567.db2.gz LZTIXOOPIMIVPZ-YPMHNXCESA-N 0 3 380.794 2.373 20 30 GEEDHN N#Cc1ccccc1N1CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000877682599 653616342 /nfs/dbraw/zinc/61/63/42/653616342.db2.gz QQYCXTRTWCHCBS-UHFFFAOYSA-N 0 3 376.507 2.026 20 30 GEEDHN C#CCN(C)CCCNC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000838624447 653626412 /nfs/dbraw/zinc/62/64/12/653626412.db2.gz ZFCDUCPPDRMRRP-UHFFFAOYSA-N 0 3 382.258 2.297 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(I)cn2)CC1 ZINC000839413191 653648676 /nfs/dbraw/zinc/64/86/76/653648676.db2.gz TYIWPIKOCIZNHM-UHFFFAOYSA-N 0 3 383.233 2.278 20 30 GEEDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861353999 653655503 /nfs/dbraw/zinc/65/55/03/653655503.db2.gz RTFYFKRZKPILFB-RHSMWYFYSA-N 0 3 397.269 2.352 20 30 GEEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000840785500 653693951 /nfs/dbraw/zinc/69/39/51/653693951.db2.gz HEKNNCZNNLDURQ-CYBMUJFWSA-N 0 3 387.527 2.003 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cc(I)c(F)cc1F ZINC000818584701 653734018 /nfs/dbraw/zinc/73/40/18/653734018.db2.gz UVEAWZVENPFXPR-UHFFFAOYSA-N 0 3 392.187 2.254 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1cc(Br)cn1 ZINC000842683789 653762811 /nfs/dbraw/zinc/76/28/11/653762811.db2.gz RMJXXLLJIZFZFA-GXTWGEPZSA-N 0 3 399.289 2.237 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)n[nH]1 ZINC000791325510 653808847 /nfs/dbraw/zinc/80/88/47/653808847.db2.gz GMYCHYJYKLZGAA-UHFFFAOYSA-N 0 3 376.258 2.248 20 30 GEEDHN N#Cc1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ncc1Br ZINC000882813460 653810789 /nfs/dbraw/zinc/81/07/89/653810789.db2.gz NKVDMVLUYCKXGG-UHFFFAOYSA-N 0 3 392.301 2.026 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000884053875 653861705 /nfs/dbraw/zinc/86/17/05/653861705.db2.gz JTIDGIJVRGULOT-VVHFOWEKSA-N 0 3 381.263 2.187 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCNc1cccc(Br)c1)C2 ZINC000884325197 653872262 /nfs/dbraw/zinc/87/22/62/653872262.db2.gz KWWXAUQEWQPNJZ-UIORMTCPSA-N 0 3 377.286 2.117 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335669 653873140 /nfs/dbraw/zinc/87/31/40/653873140.db2.gz ZPXNPCOURYIJDE-VSNNBGBISA-N 0 3 394.244 2.277 20 30 GEEDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000867581822 653955907 /nfs/dbraw/zinc/95/59/07/653955907.db2.gz NFZAFODOQMNALW-UHFFFAOYSA-N 0 3 385.917 2.191 20 30 GEEDHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cc1OCC ZINC000886241378 653974093 /nfs/dbraw/zinc/97/40/93/653974093.db2.gz WWDQBHPNXULCSA-XMQYKBBCSA-N 0 3 386.286 2.386 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000916919764 654110913 /nfs/dbraw/zinc/11/09/13/654110913.db2.gz BSYJESAMVPEIAW-LBPRGKRZSA-N 0 3 376.825 2.493 20 30 GEEDHN C=C(C)CN1CCC(Nc2nc(C(=O)OCC)ncc2Br)CC1 ZINC000892396927 654343991 /nfs/dbraw/zinc/34/39/91/654343991.db2.gz TZHIGSFDQPIFDG-UHFFFAOYSA-N 0 3 383.290 2.290 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1cccc(F)c1Br ZINC000835058049 654360162 /nfs/dbraw/zinc/36/01/62/654360162.db2.gz WZNYXFPORJPHJJ-GFCCVEGCSA-N 0 3 385.233 2.382 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000922631896 654404889 /nfs/dbraw/zinc/40/48/89/654404889.db2.gz YFZJJINJEOTWHW-AWEZNQCLSA-N 0 3 380.290 2.041 20 30 GEEDHN C[C@H]1CSCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000934304887 654843640 /nfs/dbraw/zinc/84/36/40/654843640.db2.gz UWLLKJWRPIMXES-HOTGVXAUSA-N 0 3 378.567 2.284 20 30 GEEDHN C[Si](C)(C)C#Cc1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738055 720728829 /nfs/dbraw/zinc/72/88/29/720728829.db2.gz DONVZIGLKDOLMR-OALUTQOASA-N 0 3 393.567 2.442 20 30 GEEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164748959 720802250 /nfs/dbraw/zinc/80/22/50/720802250.db2.gz SDJMFALRUMDAKR-MOPGFXCFSA-N 0 3 393.567 2.442 20 30 GEEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164748960 720802446 /nfs/dbraw/zinc/80/24/46/720802446.db2.gz SDJMFALRUMDAKR-OALUTQOASA-N 0 3 393.567 2.442 20 30 GEEDHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888749 721428594 /nfs/dbraw/zinc/42/85/94/721428594.db2.gz AQJDRGHEUQKSHT-GCJKJVERSA-N 0 3 394.523 2.200 20 30 GEEDHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C=NO)c1 ZINC001164980291 722133992 /nfs/dbraw/zinc/13/39/92/722133992.db2.gz MNVUHMDYPIVHNN-UYAOXDASSA-N 0 3 381.480 2.320 20 30 GEEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155256837 531668520 /nfs/dbraw/zinc/66/85/20/531668520.db2.gz ZOGYEGXOUHQPNC-AWEZNQCLSA-N 0 3 386.315 2.426 20 30 GEEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155220667 531665777 /nfs/dbraw/zinc/66/57/77/531665777.db2.gz OHIPPRZJWSXKKL-GFCCVEGCSA-N 0 3 386.315 2.283 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000173271628 532001384 /nfs/dbraw/zinc/00/13/84/532001384.db2.gz QLVHTMMZYTZFQQ-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000173276574 532001489 /nfs/dbraw/zinc/00/14/89/532001489.db2.gz GTKTZAIYGULDAK-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN N#Cc1cc(Br)ccc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000590680280 532381204 /nfs/dbraw/zinc/38/12/04/532381204.db2.gz JEEVHNHIZFGAMC-OAHLLOKOSA-N 0 3 378.270 2.304 20 30 GEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294809537 532384534 /nfs/dbraw/zinc/38/45/34/532384534.db2.gz PPCNMIJXRPGFMJ-GFCCVEGCSA-N 0 3 393.285 2.059 20 30 GEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955946 532392514 /nfs/dbraw/zinc/39/25/14/532392514.db2.gz YTPUIDABLJTDKM-IAQYHMDHSA-N 0 3 393.285 2.058 20 30 GEEDHN C=CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425774235 532394242 /nfs/dbraw/zinc/39/42/42/532394242.db2.gz VSSPYFVLLBMJPE-UHFFFAOYSA-N 0 3 397.317 2.030 20 30 GEEDHN C[C@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1C ZINC000592767273 532462408 /nfs/dbraw/zinc/46/24/08/532462408.db2.gz SGXSAXXQADWEDG-LRDDRELGSA-N 0 3 391.313 2.356 20 30 GEEDHN C[NH+](C)CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435428134 532616616 /nfs/dbraw/zinc/61/66/16/532616616.db2.gz QPXNJWLTLDOFCJ-UHFFFAOYSA-N 0 3 379.507 2.081 20 30 GEEDHN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C(=O)[N-][C@@H](C[NH3+])C(F)(F)F ZINC000633008148 532656664 /nfs/dbraw/zinc/65/66/64/532656664.db2.gz DVIPVHIWVYPYRX-VIFPVBQESA-N 0 3 375.244 2.097 20 30 GEEDHN CS(=O)(=O)c1cc(CNC[C@@H](O)CC2(C#N)CC2)cc(C(F)(F)F)c1 ZINC000600741440 532680827 /nfs/dbraw/zinc/68/08/27/532680827.db2.gz NZPHVCBNTMWLKA-ZDUSSCGKSA-N 0 3 376.400 2.253 20 30 GEEDHN COc1ncc(Br)cc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600758036 532680965 /nfs/dbraw/zinc/68/09/65/532680965.db2.gz WJSXZNBGWCZGLS-AWEZNQCLSA-N 0 3 384.274 2.014 20 30 GEEDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1snc(Cl)c1C#N ZINC000378418685 532694443 /nfs/dbraw/zinc/69/44/43/532694443.db2.gz DEQUNAJVUULMPG-UHFFFAOYSA-N 0 3 379.921 2.464 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CSCCS2)cc1 ZINC000287020901 532779405 /nfs/dbraw/zinc/77/94/05/532779405.db2.gz FEKGIQRUAAOHOB-AAEUAGOBSA-N 0 3 385.536 2.342 20 30 GEEDHN C=CCN(C)CCN(CC)Cc1nnnn1-c1ccccc1Br ZINC000411645142 532772079 /nfs/dbraw/zinc/77/20/79/532772079.db2.gz SGYYKQHSKAVJKY-UHFFFAOYSA-N 0 3 379.306 2.365 20 30 GEEDHN N#Cc1ccc(NC(=O)C(=O)NC2CCN(C3CC3)CC2)cc1Br ZINC000287582369 532800562 /nfs/dbraw/zinc/80/05/62/532800562.db2.gz WIOGJPXBUWFYAR-UHFFFAOYSA-N 0 3 391.269 2.002 20 30 GEEDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287632540 532803922 /nfs/dbraw/zinc/80/39/22/532803922.db2.gz ZPZXDOFOAZGABH-GFCCVEGCSA-N 0 3 393.285 2.107 20 30 GEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000330081816 532814107 /nfs/dbraw/zinc/81/41/07/532814107.db2.gz PVCPDURJVYXXJA-LLMODLSVSA-N 0 3 379.544 2.005 20 30 GEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000272818060 532818247 /nfs/dbraw/zinc/81/82/47/532818247.db2.gz FFYUODWWQCFQJW-LBPRGKRZSA-N 0 3 389.315 2.357 20 30 GEEDHN CS[C@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@H]1N(C)C ZINC000330666703 532824307 /nfs/dbraw/zinc/82/43/07/532824307.db2.gz WQRWMVJSLMSMEG-CVEARBPZSA-N 0 3 378.567 2.475 20 30 GEEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288370595 532825381 /nfs/dbraw/zinc/82/53/81/532825381.db2.gz YYDCUKJHTFMECX-SMDDNHRTSA-N 0 3 386.315 2.281 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CNCCN2C)cc1OCC ZINC000414964756 532836209 /nfs/dbraw/zinc/83/62/09/532836209.db2.gz MTZKDTGWEYSKAY-HNNXBMFYSA-N 0 3 398.345 2.406 20 30 GEEDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288943651 532842900 /nfs/dbraw/zinc/84/29/00/532842900.db2.gz XWEKSKXQJXSGJK-LBPRGKRZSA-N 0 3 395.301 2.496 20 30 GEEDHN [NH3+]CC[C@H]([N-]C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000415839738 532859680 /nfs/dbraw/zinc/85/96/80/532859680.db2.gz OSHITKGEOMOZDB-VIFPVBQESA-N 0 3 375.244 2.179 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCCC1 ZINC000416370368 532872533 /nfs/dbraw/zinc/87/25/33/532872533.db2.gz HJYXLHUUFWQUOF-UHFFFAOYSA-N 0 3 386.315 2.475 20 30 GEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)C1 ZINC000291828969 532909282 /nfs/dbraw/zinc/90/92/82/532909282.db2.gz FTOJVWTXCBIZOO-OAHLLOKOSA-N 0 3 384.299 2.037 20 30 GEEDHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293143794 532922660 /nfs/dbraw/zinc/92/26/60/532922660.db2.gz RWYFKMBQHBDKLK-UHFFFAOYSA-N 0 3 393.285 2.202 20 30 GEEDHN N#Cc1cc(Br)ccc1CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000367849227 532928091 /nfs/dbraw/zinc/92/80/91/532928091.db2.gz OBCINMKHJZABFE-KRWDZBQOSA-N 0 3 391.313 2.235 20 30 GEEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451477859 650119142 /nfs/dbraw/zinc/11/91/42/650119142.db2.gz XYJVAVBEMHOFBN-HNNXBMFYSA-N 0 3 382.555 2.229 20 30 GEEDHN N#Cc1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1Br ZINC000455451179 650304767 /nfs/dbraw/zinc/30/47/67/650304767.db2.gz DPXBPVVFCGBISC-CQSZACIVSA-N 0 3 381.274 2.289 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1 ZINC000125425679 643707896 /nfs/dbraw/zinc/70/78/96/643707896.db2.gz PEZGWEYUDOPHIG-OAHLLOKOSA-N 0 3 397.269 2.468 20 30 GEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000129677035 643826164 /nfs/dbraw/zinc/82/61/64/643826164.db2.gz BOBDQUXCRBKFFZ-GXSJLCMTSA-N 0 3 383.235 2.431 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(Br)ccc1OC ZINC000173934764 644364288 /nfs/dbraw/zinc/36/42/88/644364288.db2.gz GEJNJDYENYYRDV-AWEZNQCLSA-N 0 3 397.269 2.252 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173933530 644364467 /nfs/dbraw/zinc/36/44/67/644364467.db2.gz UQJCESMTINNQNN-IUODEOHRSA-N 0 3 397.269 2.468 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1ccccc1Br ZINC000193425721 645272083 /nfs/dbraw/zinc/27/20/83/645272083.db2.gz JLXBDYRXLOGQJU-LBPRGKRZSA-N 0 3 383.242 2.080 20 30 GEEDHN N#CC(C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000193481824 645277525 /nfs/dbraw/zinc/27/75/25/645277525.db2.gz FSLIVBHKSUNKQQ-LBPRGKRZSA-N 0 3 382.163 2.446 20 30 GEEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278615233 646531179 /nfs/dbraw/zinc/53/11/79/646531179.db2.gz BWTBMFXJXWBHTQ-LBPRGKRZSA-N 0 3 386.315 2.283 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000424131001 648614537 /nfs/dbraw/zinc/61/45/37/648614537.db2.gz GAAMINBSQIGJRD-GFCCVEGCSA-N 0 3 376.507 2.268 20 30 GEEDHN Cc1cc(N2CC[C@H](NC(=O)[C@@H](N)CCCC#N)C2=O)ccc1Br ZINC000424172564 648615367 /nfs/dbraw/zinc/61/53/67/648615367.db2.gz NDMVALBPLRDPHX-GJZGRUSLSA-N 0 3 393.285 2.000 20 30 GEEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCNC2=O)CC1 ZINC000574044797 651997171 /nfs/dbraw/zinc/99/71/71/651997171.db2.gz FHGZTBDMHLNDCE-RDJZCZTQSA-N 0 3 391.313 2.158 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2nc3c(s2)CCCC3)c1 ZINC000577365220 652181808 /nfs/dbraw/zinc/18/18/08/652181808.db2.gz RKZUCFMBOBQSMQ-UHFFFAOYSA-N 0 3 375.519 2.500 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(Br)c2C)CC1 ZINC000577887398 652226396 /nfs/dbraw/zinc/22/63/96/652226396.db2.gz PWAJJJODBJZSLD-UHFFFAOYSA-N 0 3 394.313 2.140 20 30 GEEDHN CC(C)N(CCS(C)(=O)=O)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000759234069 652566797 /nfs/dbraw/zinc/56/67/97/652566797.db2.gz OJNHWVCACRDVBM-ZDUSSCGKSA-N 0 3 379.507 2.228 20 30 GEEDHN Cc1cc(NC(=O)CNC(=O)[C@H](N)CCCCC#N)ccc1Br ZINC000594439279 652650127 /nfs/dbraw/zinc/65/01/27/652650127.db2.gz PBZLIWQHYODWMU-CQSZACIVSA-N 0 3 381.274 2.224 20 30 GEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000598727323 652831700 /nfs/dbraw/zinc/83/17/00/652831700.db2.gz GNBBGIOMRROGAS-CYBMUJFWSA-N 0 3 378.416 2.499 20 30 GEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000599357684 652864114 /nfs/dbraw/zinc/86/41/14/652864114.db2.gz WBNIZDRWOKSYOE-SJORKVTESA-N 0 3 391.265 2.384 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547494 653190624 /nfs/dbraw/zinc/19/06/24/653190624.db2.gz ZDFNFSZGYFBLNR-GJZGRUSLSA-N 0 3 393.285 2.082 20 30 GEEDHN C#CCN(C)CCCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000836488171 653355945 /nfs/dbraw/zinc/35/59/45/653355945.db2.gz MXUQXWSASDZCCI-UHFFFAOYSA-N 0 3 395.301 2.032 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662963 653441929 /nfs/dbraw/zinc/44/19/29/653441929.db2.gz UNOYBNAIVFXCEX-OLZOCXBDSA-N 0 3 375.778 2.397 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662965 653442044 /nfs/dbraw/zinc/44/20/44/653442044.db2.gz UNOYBNAIVFXCEX-STQMWFEESA-N 0 3 375.778 2.397 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000876894865 653452998 /nfs/dbraw/zinc/45/29/98/653452998.db2.gz YATICXVKUUSRSW-OLZOCXBDSA-N 0 3 375.778 2.175 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000837674509 653459901 /nfs/dbraw/zinc/45/99/01/653459901.db2.gz WZTCQKBIQGJIDG-UHFFFAOYSA-N 0 3 380.279 2.318 20 30 GEEDHN N#Cc1cnc(Cl)c(CNCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000877029086 653461620 /nfs/dbraw/zinc/46/16/20/653461620.db2.gz PZJZBKFOWIQIBY-UHFFFAOYSA-N 0 3 396.822 2.258 20 30 GEEDHN C#CCNC(=S)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000840834655 653696122 /nfs/dbraw/zinc/69/61/22/653696122.db2.gz ZDXSIOLPHVEJTO-UHFFFAOYSA-N 0 3 376.957 2.434 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000818588980 653734090 /nfs/dbraw/zinc/73/40/90/653734090.db2.gz LPXMBZZGWHWGGL-UHFFFAOYSA-N 0 3 375.270 2.320 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cc(F)c(F)cc1I ZINC000818609065 653734928 /nfs/dbraw/zinc/73/49/28/653734928.db2.gz JBNZGTPYHCOACF-UHFFFAOYSA-N 0 3 392.187 2.254 20 30 GEEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)N1CCCCC1 ZINC000842202448 653747428 /nfs/dbraw/zinc/74/74/28/653747428.db2.gz NEYXOCMGHPGSTA-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN N#Cc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(Br)c1 ZINC000882812755 653810456 /nfs/dbraw/zinc/81/04/56/653810456.db2.gz XYAYRHSGGHWRBK-UHFFFAOYSA-N 0 3 392.301 2.026 20 30 GEEDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000867581206 653955938 /nfs/dbraw/zinc/95/59/38/653955938.db2.gz KASTZVOVEMKTFS-UHFFFAOYSA-N 0 3 385.917 2.191 20 30 GEEDHN C#CCN(C(=O)c1nc(Br)c2ccccn21)C1CCN(C)CC1 ZINC000886571108 653992084 /nfs/dbraw/zinc/99/20/84/653992084.db2.gz JJNUZMISZPNMNX-UHFFFAOYSA-N 0 3 375.270 2.266 20 30 GEEDHN C#CCN(C(=O)COc1ccc(C#N)c(Br)c1)C1CCN(C)CC1 ZINC000886574869 653992465 /nfs/dbraw/zinc/99/24/65/653992465.db2.gz WURGWRUOOHDMDV-UHFFFAOYSA-N 0 3 390.281 2.256 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1 ZINC000916872804 654110580 /nfs/dbraw/zinc/11/05/80/654110580.db2.gz OGXYSQXBNGAKQT-HNNXBMFYSA-N 0 3 397.269 2.468 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000855698142 654434581 /nfs/dbraw/zinc/43/45/81/654434581.db2.gz LNOMUHKKAIDXLM-MRXNPFEDSA-N 0 3 393.281 2.125 20 30 GEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063743 654505759 /nfs/dbraw/zinc/50/57/59/654505759.db2.gz RTBWLAVRBCKUPZ-BLLLJJGKSA-N 0 3 398.326 2.426 20 30 GEEDHN CN1C[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3I)[C@@H]2C1 ZINC000932548095 654781090 /nfs/dbraw/zinc/78/10/90/654781090.db2.gz YYEDQIYAQHGKJX-SMDDNHRTSA-N 0 3 396.232 2.331 20 30 GEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438350 654813421 /nfs/dbraw/zinc/81/34/21/654813421.db2.gz VQUXNZJAZYRYQI-MSOLQXFVSA-N 0 3 396.329 2.387 20 30 GEEDHN C[C@@H]1CSCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000934304878 654843570 /nfs/dbraw/zinc/84/35/70/654843570.db2.gz UWLLKJWRPIMXES-CVEARBPZSA-N 0 3 378.567 2.284 20 30 GEEDHN Cc1ccc(CC#N)c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164893822 721438588 /nfs/dbraw/zinc/43/85/88/721438588.db2.gz KSZIIAHQFHDRMC-UNMCSNQZSA-N 0 3 383.540 2.222 20 30 GEEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906046 721553767 /nfs/dbraw/zinc/55/37/67/721553767.db2.gz IJVBAPDTKIAORW-PKOBYXMFSA-N 0 3 396.466 2.478 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(Br)cnn1C ZINC000294908285 532390826 /nfs/dbraw/zinc/39/08/26/532390826.db2.gz SBMDCXHZQJSLJE-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C)ccc(Br)c1C#N ZINC000425792005 532397072 /nfs/dbraw/zinc/39/70/72/532397072.db2.gz XQMIRRSOZMZYRM-NSHDSACASA-N 0 3 395.301 2.413 20 30 GEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328758 532409117 /nfs/dbraw/zinc/40/91/17/532409117.db2.gz PLPFTGGCJGYOSY-INIZCTEOSA-N 0 3 398.326 2.427 20 30 GEEDHN N#Cc1cnn2c1NC[C@@H](CNCc1cc(Br)cc3c1OCC3)C2 ZINC000517567271 532420279 /nfs/dbraw/zinc/42/02/79/532420279.db2.gz IETIEEBMKYGJBY-LLVKDONJSA-N 0 3 388.269 2.284 20 30 GEEDHN CCN1CC[C@H]2OCCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000593166153 532472733 /nfs/dbraw/zinc/47/27/33/532472733.db2.gz MMCZHEGUMYLALB-DLBZAZTESA-N 0 3 392.297 2.185 20 30 GEEDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)C1 ZINC000595195071 532549668 /nfs/dbraw/zinc/54/96/68/532549668.db2.gz YJSLQJQJTRYIHH-GFCCVEGCSA-N 0 3 393.285 2.168 20 30 GEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298114307 532626503 /nfs/dbraw/zinc/62/65/03/532626503.db2.gz AKIURNKNVHLDSJ-INIZCTEOSA-N 0 3 382.302 2.079 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](C)N(C)C ZINC000298506393 532654814 /nfs/dbraw/zinc/65/48/14/532654814.db2.gz MZGWCTVEGSHJDA-LLVKDONJSA-N 0 3 384.274 2.165 20 30 GEEDHN Cc1nn(-c2ccc(Br)cc2)cc1CNCCn1cnc(C#N)n1 ZINC000285443749 532680745 /nfs/dbraw/zinc/68/07/45/532680745.db2.gz ILGKBCWSYCCCFU-UHFFFAOYSA-N 0 3 386.257 2.196 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670495692 532717347 /nfs/dbraw/zinc/71/73/47/532717347.db2.gz QQMULBQTUAMZSY-UHFFFAOYSA-N 0 3 384.307 2.419 20 30 GEEDHN CS[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1N1CCCC1 ZINC000299439746 532717595 /nfs/dbraw/zinc/71/75/95/532717595.db2.gz VTMXIVOKJDRUBK-OWCLPIDISA-N 0 3 376.551 2.237 20 30 GEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(F)ccc(Br)c1F ZINC000507696826 532757718 /nfs/dbraw/zinc/75/77/18/532757718.db2.gz GYGXBIAFOUAHAZ-MRVPVSSYSA-N 0 3 382.226 2.333 20 30 GEEDHN COC(=O)[C@@H]1CSCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000412086661 532785487 /nfs/dbraw/zinc/78/54/87/532785487.db2.gz VFFBNIRGNIQOJJ-ZDUSSCGKSA-N 0 3 381.885 2.378 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(F)(F)Br)cc1 ZINC000287393052 532793640 /nfs/dbraw/zinc/79/36/40/532793640.db2.gz GCYHRZWTPXJVAL-QMMMGPOBSA-N 0 3 396.213 2.482 20 30 GEEDHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329517448 532807947 /nfs/dbraw/zinc/80/79/47/532807947.db2.gz PHOOMNTWOQELLE-MNOVXSKESA-N 0 3 377.919 2.263 20 30 GEEDHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329517448 532807951 /nfs/dbraw/zinc/80/79/51/532807951.db2.gz PHOOMNTWOQELLE-MNOVXSKESA-N 0 3 377.919 2.263 20 30 GEEDHN CC(C(=O)NCCN1CCc2sccc2C1)S(=O)(=O)C1CCOCC1 ZINC000330159450 532815039 /nfs/dbraw/zinc/81/50/39/532815039.db2.gz QOLLPWBFAXYJBK-ZDUSSCGKSA-N 0 3 386.539 2.045 20 30 GEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCC(O)(C(F)F)CC1 ZINC000330248018 532816468 /nfs/dbraw/zinc/81/64/68/532816468.db2.gz MACBYQWMCKJQDZ-UHFFFAOYSA-N 0 3 377.501 2.354 20 30 GEEDHN C[NH+](C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677140 532824937 /nfs/dbraw/zinc/82/49/37/532824937.db2.gz UXAONPWNDBIAOL-NWDGAFQWSA-N 0 3 386.315 2.472 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000415424800 532845176 /nfs/dbraw/zinc/84/51/76/532845176.db2.gz IVDJSYKDJRTQCM-CYBMUJFWSA-N 0 3 398.301 2.442 20 30 GEEDHN COC(=O)CN(CCc1ccc(Cl)cc1Cl)S(=O)(=O)C(C)C#N ZINC000416402826 532875938 /nfs/dbraw/zinc/87/59/38/532875938.db2.gz QBXSQAIARUGOIM-SNVBAGLBSA-N 0 3 379.265 2.253 20 30 GEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292931916 532919896 /nfs/dbraw/zinc/91/98/96/532919896.db2.gz CORVUKDRRFTGEO-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293027670 532921468 /nfs/dbraw/zinc/92/14/68/532921468.db2.gz IRYDPDZFCDJKES-UHFFFAOYSA-N 0 3 393.285 2.059 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293265251 532924277 /nfs/dbraw/zinc/92/42/77/532924277.db2.gz DOWMAHFMJNGKGQ-UHFFFAOYSA-N 0 3 391.269 2.026 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000293455650 532927048 /nfs/dbraw/zinc/92/70/48/532927048.db2.gz SYIOVJAVTJNPKL-UHFFFAOYSA-N 0 3 375.778 2.369 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1 ZINC000368549198 532933150 /nfs/dbraw/zinc/93/31/50/532933150.db2.gz WMEBLUYPLJVJNE-AWEZNQCLSA-N 0 3 384.299 2.180 20 30 GEEDHN C=C(C)COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)ccc1OC ZINC000275465694 570693987 /nfs/dbraw/zinc/69/39/87/570693987.db2.gz HMHFEJODMRDDFH-UTKZUKDTSA-N 0 3 384.480 2.493 20 30 GEEDHN C[NH+](C)Cc1ccc(C(N)=NOCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000821587228 606178576 /nfs/dbraw/zinc/17/85/76/606178576.db2.gz MQTSKYQNXFIVBM-UHFFFAOYSA-N 0 3 390.451 2.018 20 30 GEEDHN C[NH+](C)Cc1ccc(C(N)=NOCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000821587228 606178577 /nfs/dbraw/zinc/17/85/77/606178577.db2.gz MQTSKYQNXFIVBM-UHFFFAOYSA-N 0 3 390.451 2.018 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(C#N)n1 ZINC000821586224 607114222 /nfs/dbraw/zinc/11/42/22/607114222.db2.gz OTWBWVSYCRKZCP-UHFFFAOYSA-N 0 3 382.859 2.355 20 30 GEEDHN N#CCC[C@@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381700 608555734 /nfs/dbraw/zinc/55/57/34/608555734.db2.gz VPUDVPDTSKWIOX-IEBWSBKVSA-N 0 3 378.436 2.241 20 30 GEEDHN CC1(C#N)CC[NH+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000824776995 609142448 /nfs/dbraw/zinc/14/24/48/609142448.db2.gz GOQYKRGNIJTESX-UHFFFAOYSA-N 0 3 385.497 2.371 20 30 GEEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448975669 650027855 /nfs/dbraw/zinc/02/78/55/650027855.db2.gz INMDJINMNHUABB-AWEZNQCLSA-N 0 3 393.329 2.324 20 30 GEEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1Br ZINC000455451177 650304721 /nfs/dbraw/zinc/30/47/21/650304721.db2.gz DPXBPVVFCGBISC-AWEZNQCLSA-N 0 3 381.274 2.289 20 30 GEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1=CCN(C)CC1 ZINC000500630664 650381603 /nfs/dbraw/zinc/38/16/03/650381603.db2.gz HDROSOITLKQMFR-NSHDSACASA-N 0 3 391.269 2.026 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000480734536 650629915 /nfs/dbraw/zinc/62/99/15/650629915.db2.gz QKHQYVNUWCLIMV-DLBZAZTESA-N 0 3 383.514 2.039 20 30 GEEDHN COc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000172124420 644336818 /nfs/dbraw/zinc/33/68/18/644336818.db2.gz FBPPDISQIQKJBU-NXVVXOECSA-N 0 3 380.242 2.074 20 30 GEEDHN CN(C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797160 644343984 /nfs/dbraw/zinc/34/39/84/644343984.db2.gz JMBODKGUMPNDII-RISCZKNCSA-N 0 3 383.279 2.084 20 30 GEEDHN N#Cc1cc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)ccc1Cl ZINC000609198971 651613291 /nfs/dbraw/zinc/61/32/91/651613291.db2.gz BKQBZTRDAXDBIB-UHFFFAOYSA-N 0 3 383.901 2.135 20 30 GEEDHN CC(C)(C)c1csc(CCNCCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000567679145 651634039 /nfs/dbraw/zinc/63/40/39/651634039.db2.gz MWYVEXRGZUFFTD-UHFFFAOYSA-N 0 3 378.523 2.313 20 30 GEEDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733311585 651699302 /nfs/dbraw/zinc/69/93/02/651699302.db2.gz WAYMXRDUAVCQIR-FRRDWIJNSA-N 0 3 379.507 2.226 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1Br ZINC000572224580 651879619 /nfs/dbraw/zinc/87/96/19/651879619.db2.gz QCWONAKMZPFWSH-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000747820028 652180830 /nfs/dbraw/zinc/18/08/30/652180830.db2.gz HIMYKWNFAJDPAI-CQSZACIVSA-N 0 3 385.291 2.195 20 30 GEEDHN N#CC[C@]1(O)CCN(CCCOc2cccc(I)c2)C1 ZINC000592152446 652589424 /nfs/dbraw/zinc/58/94/24/652589424.db2.gz XWCYZMTZWOZQMR-HNNXBMFYSA-N 0 3 386.233 2.411 20 30 GEEDHN COCCN1CCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593451127 652621490 /nfs/dbraw/zinc/62/14/90/652621490.db2.gz UVPBZUJHLRLQJO-MRXNPFEDSA-N 0 3 380.286 2.090 20 30 GEEDHN N#Cc1cc(Br)ccc1CC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000593531429 652624476 /nfs/dbraw/zinc/62/44/76/652624476.db2.gz SCMXIXDQVWZANX-QGZVFWFLSA-N 0 3 392.297 2.233 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547517 653190666 /nfs/dbraw/zinc/19/06/66/653190666.db2.gz ZDFNFSZGYFBLNR-LSDHHAIUSA-N 0 3 393.285 2.082 20 30 GEEDHN C=CCC[C@H](CO)NCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000641759807 653233206 /nfs/dbraw/zinc/23/32/06/653233206.db2.gz JLSXINDLJBUJAF-IUODEOHRSA-N 0 3 385.302 2.379 20 30 GEEDHN C#C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000836282351 653342545 /nfs/dbraw/zinc/34/25/45/653342545.db2.gz LAGYOPGPGKDICX-IKGGRYGDSA-N 0 3 392.297 2.286 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000836295426 653343020 /nfs/dbraw/zinc/34/30/20/653343020.db2.gz KJGQUONZKBCXDK-OAHLLOKOSA-N 0 3 393.329 2.282 20 30 GEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836316689 653344199 /nfs/dbraw/zinc/34/41/99/653344199.db2.gz CBLNJTSJTSOVSJ-INIZCTEOSA-N 0 3 382.302 2.432 20 30 GEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000836341802 653345658 /nfs/dbraw/zinc/34/56/58/653345658.db2.gz UHLUGYCDAAOUJN-AWEZNQCLSA-N 0 3 382.302 2.471 20 30 GEEDHN C#CCN(C)CCCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000836490151 653356022 /nfs/dbraw/zinc/35/60/22/653356022.db2.gz KFBNMLLDVPJGCX-UHFFFAOYSA-N 0 3 392.301 2.160 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000876686208 653442443 /nfs/dbraw/zinc/44/24/43/653442443.db2.gz SHHAKWGLSVISMO-CJNGLKHVSA-N 0 3 384.307 2.412 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000876784222 653447352 /nfs/dbraw/zinc/44/73/52/653447352.db2.gz BDNLYUXWAZXBRL-DZGCQCFKSA-N 0 3 386.949 2.355 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000876894863 653452823 /nfs/dbraw/zinc/45/28/23/653452823.db2.gz YATICXVKUUSRSW-CHWSQXEVSA-N 0 3 375.778 2.175 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000876966193 653456598 /nfs/dbraw/zinc/45/65/98/653456598.db2.gz QVZVFCSHWUFUAO-NWDGAFQWSA-N 0 3 375.650 2.249 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000815083448 653650564 /nfs/dbraw/zinc/65/05/64/653650564.db2.gz ZGAVRUZFJDPSBN-UHFFFAOYSA-N 0 3 393.734 2.477 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000785849131 653715820 /nfs/dbraw/zinc/71/58/20/653715820.db2.gz KWBDOSRCATXFEO-UHFFFAOYSA-N 0 3 393.281 2.197 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000818588812 653733958 /nfs/dbraw/zinc/73/39/58/653733958.db2.gz HTDQJXRQZOOALL-UHFFFAOYSA-N 0 3 375.270 2.320 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000818584125 653733975 /nfs/dbraw/zinc/73/39/75/653733975.db2.gz GCIKBHZLGLYCRG-UHFFFAOYSA-N 0 3 375.270 2.320 20 30 GEEDHN C#CCN1C(=O)C[C@H](N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771623 653806369 /nfs/dbraw/zinc/80/63/69/653806369.db2.gz IDSGSFYGYIHDTG-HOCLYGCPSA-N 0 3 375.266 2.074 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(I)cc1)C2 ZINC000884045705 653861342 /nfs/dbraw/zinc/86/13/42/653861342.db2.gz DXEKGCHWTHPVKG-VTWZXRTESA-N 0 3 381.217 2.369 20 30 GEEDHN COc1ccc(Br)c(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884095707 653863018 /nfs/dbraw/zinc/86/30/18/653863018.db2.gz WPQIGXJYRLLDLL-UIORMTCPSA-N 0 3 378.270 2.213 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCOc1cccc(Br)c1)C2 ZINC000884100106 653863423 /nfs/dbraw/zinc/86/34/23/653863423.db2.gz JDXNVDJAJRIWPP-UIORMTCPSA-N 0 3 378.270 2.083 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000884130914 653865314 /nfs/dbraw/zinc/86/53/14/653865314.db2.gz VZYSIZDYOIIVQO-JZLYGMAVSA-N 0 3 380.261 2.386 20 30 GEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156189 653866412 /nfs/dbraw/zinc/86/64/12/653866412.db2.gz VNRMKQQFZXLORB-VUULHSHRSA-N 0 3 392.297 2.472 20 30 GEEDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000867582252 653956360 /nfs/dbraw/zinc/95/63/60/653956360.db2.gz QNHBBTPXXRFPNZ-UHFFFAOYSA-N 0 3 385.917 2.191 20 30 GEEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 ZINC000798815836 654077215 /nfs/dbraw/zinc/07/72/15/654077215.db2.gz DORRNHYTJUJXON-PSASIEDQSA-N 0 3 377.191 2.365 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000916919763 654110906 /nfs/dbraw/zinc/11/09/06/654110906.db2.gz BSYJESAMVPEIAW-GFCCVEGCSA-N 0 3 376.825 2.493 20 30 GEEDHN C=CCN1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000917142098 654114578 /nfs/dbraw/zinc/11/45/78/654114578.db2.gz QCPZEMWVXHUUQZ-UHFFFAOYSA-N 0 3 382.306 2.084 20 30 GEEDHN C#CCN(Cc1ccccc1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000831521503 654189780 /nfs/dbraw/zinc/18/97/80/654189780.db2.gz BGCIECMORQFJRT-AWEZNQCLSA-N 0 3 377.384 2.336 20 30 GEEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000802797063 654241818 /nfs/dbraw/zinc/24/18/18/654241818.db2.gz NWDVNQQQFGDLBN-ZDUSSCGKSA-N 0 3 378.841 2.042 20 30 GEEDHN C[C@@]1(NC(=O)COc2cccc(Br)c2C#N)CN2CCC1CC2 ZINC000892765472 654363383 /nfs/dbraw/zinc/36/33/83/654363383.db2.gz DAUHSWILEJLPLT-QGZVFWFLSA-N 0 3 378.270 2.300 20 30 GEEDHN C[C@@]1(C[C@H]2CCCN2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417949 654474053 /nfs/dbraw/zinc/47/40/53/654474053.db2.gz XRHRJEBFCWDYOB-DYVFJYSZSA-N 0 3 391.269 2.273 20 30 GEEDHN N#Cc1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)ccc1Br ZINC000906853813 654479513 /nfs/dbraw/zinc/47/95/13/654479513.db2.gz VMKLLIGZRDYJDB-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN CN(C)C1(CNS(=O)(=O)c2c(C#N)sc3ccccc32)CCOCC1 ZINC000906950310 654492200 /nfs/dbraw/zinc/49/22/00/654492200.db2.gz GLHRHQIGNBMRGE-UHFFFAOYSA-N 0 3 379.507 2.162 20 30 GEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979814 654495481 /nfs/dbraw/zinc/49/54/81/654495481.db2.gz CBZBQDVDDPVXCV-IAQYHMDHSA-N 0 3 386.315 2.281 20 30 GEEDHN C#CCN(C)CCCN1C(=O)[C@@H](c2ccc(Br)s2)N(C)C1=O ZINC000925315449 654540963 /nfs/dbraw/zinc/54/09/63/654540963.db2.gz XZBSRNLPWODTQG-CYBMUJFWSA-N 0 3 384.299 2.401 20 30 GEEDHN O=C(NCCN[C@@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407905 654544010 /nfs/dbraw/zinc/54/40/10/654544010.db2.gz HHKXBGAWVGUQSF-VLUKHXRESA-N 0 3 391.269 2.338 20 30 GEEDHN C#CCN(C(=O)C(=O)NCc1ccc(Cl)cc1Cl)C1CCN(C)CC1 ZINC000929121599 654672342 /nfs/dbraw/zinc/67/23/42/654672342.db2.gz LGHWBPLNDMGOLS-UHFFFAOYSA-N 0 3 382.291 2.166 20 30 GEEDHN N#Cc1nc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)ccc1Br ZINC000932158509 654768468 /nfs/dbraw/zinc/76/84/68/654768468.db2.gz JTSSKGAJDADYLW-LBPRGKRZSA-N 0 3 394.273 2.091 20 30 GEEDHN N#CC1(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)CCC1 ZINC001164736708 720694582 /nfs/dbraw/zinc/69/45/82/720694582.db2.gz APPFHXOUZHHNPO-MSOLQXFVSA-N 0 3 376.464 2.159 20 30 GEEDHN C=CCOc1cc(C)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866972 721093345 /nfs/dbraw/zinc/09/33/45/721093345.db2.gz WAQSIEWOHAIBQP-RBUKOAKNSA-N 0 3 381.480 2.225 20 30 GEEDHN C=CCOc1cc(C)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866971 721093596 /nfs/dbraw/zinc/09/35/96/721093596.db2.gz WAQSIEWOHAIBQP-OALUTQOASA-N 0 3 381.480 2.225 20 30 GEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Br)ccc1OC ZINC000122618542 532077268 /nfs/dbraw/zinc/07/72/68/532077268.db2.gz WDOWSXVKBNTBQZ-SNVBAGLBSA-N 0 3 376.272 2.063 20 30 GEEDHN CN(CCC#N)S(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000129003143 532170952 /nfs/dbraw/zinc/17/09/52/532170952.db2.gz NHADIIWAGQDAFJ-UHFFFAOYSA-N 0 3 384.933 2.328 20 30 GEEDHN CN(C)CCn1cc(NC(=O)COc2ccc(C#N)c(Br)c2)cn1 ZINC000590665223 532381222 /nfs/dbraw/zinc/38/12/22/532381222.db2.gz JDZFALKBNACPCV-UHFFFAOYSA-N 0 3 392.257 2.096 20 30 GEEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425747185 532392565 /nfs/dbraw/zinc/39/25/65/532392565.db2.gz SHKCSGOSEQZCCS-LBPRGKRZSA-N 0 3 393.285 2.168 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCCC1 ZINC000192529366 532405355 /nfs/dbraw/zinc/40/53/55/532405355.db2.gz AKKIDNKLOSERDG-UHFFFAOYSA-N 0 3 396.285 2.310 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000562735147 532480975 /nfs/dbraw/zinc/48/09/75/532480975.db2.gz GNSWPVPEBCLBFJ-UHFFFAOYSA-N 0 3 378.274 2.262 20 30 GEEDHN C[C@H]1CN(CCCNC(=O)Cc2ccc(Br)cc2C#N)CCCO1 ZINC000593656333 532493089 /nfs/dbraw/zinc/49/30/89/532493089.db2.gz DPJHCLXMWMYTGL-AWEZNQCLSA-N 0 3 394.313 2.480 20 30 GEEDHN CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)c2cnccc21 ZINC000432963718 532550828 /nfs/dbraw/zinc/55/08/28/532550828.db2.gz YWSILOKHGFOTQB-UHFFFAOYSA-N 0 3 393.266 2.361 20 30 GEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000297181830 532571734 /nfs/dbraw/zinc/57/17/34/532571734.db2.gz BJAOJTXHGAKYCR-MRXNPFEDSA-N 0 3 382.302 2.079 20 30 GEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297181823 532571920 /nfs/dbraw/zinc/57/19/20/532571920.db2.gz BJAOJTXHGAKYCR-INIZCTEOSA-N 0 3 382.302 2.079 20 30 GEEDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697722 532625232 /nfs/dbraw/zinc/62/52/32/532625232.db2.gz ZKWWVRCWISADPT-IAGOWNOFSA-N 0 3 392.297 2.185 20 30 GEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734835 532679632 /nfs/dbraw/zinc/67/96/32/532679632.db2.gz QPHGCBKCQDGFJM-HUUCEWRRSA-N 0 3 378.270 2.199 20 30 GEEDHN N#CC1(C[C@H](O)CN[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734833 532679755 /nfs/dbraw/zinc/67/97/55/532679755.db2.gz QPHGCBKCQDGFJM-GJZGRUSLSA-N 0 3 378.270 2.199 20 30 GEEDHN CS(=O)(=O)c1cc(CNC[C@H](O)CC2(C#N)CC2)cc(C(F)(F)F)c1 ZINC000600741439 532681784 /nfs/dbraw/zinc/68/17/84/532681784.db2.gz NZPHVCBNTMWLKA-CYBMUJFWSA-N 0 3 376.400 2.253 20 30 GEEDHN N#Cc1cnn2c1NC[C@H](CNCc1nc3c(cccc3Br)[nH]1)C2 ZINC000569693936 532703506 /nfs/dbraw/zinc/70/35/06/532703506.db2.gz BWQFCRXRLDIAFH-JTQLQIEISA-N 0 3 386.257 2.225 20 30 GEEDHN CS[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1N1CCCC1 ZINC000299439727 532716373 /nfs/dbraw/zinc/71/63/73/532716373.db2.gz VTMXIVOKJDRUBK-HRCADAONSA-N 0 3 376.551 2.237 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000266811482 532725888 /nfs/dbraw/zinc/72/58/88/532725888.db2.gz YSJSVYUBXQXASJ-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN N#C[C@@H]1CC[C@H](NC[C@@H](O)COc2ccc(I)cc2)C1 ZINC000442793153 532735007 /nfs/dbraw/zinc/73/50/07/532735007.db2.gz PPZFVDPWCKJQTL-KWCYVHTRSA-N 0 3 386.233 2.313 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000411248203 532751428 /nfs/dbraw/zinc/75/14/28/532751428.db2.gz WXHGNCJVWPOXAK-UHFFFAOYSA-N 0 3 398.301 2.409 20 30 GEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000451595779 532765623 /nfs/dbraw/zinc/76/56/23/532765623.db2.gz DYMVFGMXEQHYPY-CVEARBPZSA-N 0 3 383.286 2.219 20 30 GEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287197395 532786011 /nfs/dbraw/zinc/78/60/11/532786011.db2.gz LLOGHLBUJAPHRT-CYBMUJFWSA-N 0 3 394.317 2.468 20 30 GEEDHN CS[C@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1N(C)C ZINC000330666704 532824461 /nfs/dbraw/zinc/82/44/61/532824461.db2.gz WQRWMVJSLMSMEG-HOTGVXAUSA-N 0 3 378.567 2.475 20 30 GEEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331220954 532836153 /nfs/dbraw/zinc/83/61/53/532836153.db2.gz UUHHBBUWLLYKBX-ZDUSSCGKSA-N 0 3 386.315 2.426 20 30 GEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)C1 ZINC000292843372 532919198 /nfs/dbraw/zinc/91/91/98/532919198.db2.gz PTVBMQRBKQNVBW-INIZCTEOSA-N 0 3 398.326 2.427 20 30 GEEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292931917 532920080 /nfs/dbraw/zinc/92/00/80/532920080.db2.gz CORVUKDRRFTGEO-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1=CCN(C)CC1 ZINC000294400736 532938636 /nfs/dbraw/zinc/93/86/36/532938636.db2.gz SLRNLIVMKCWHQA-NSHDSACASA-N 0 3 391.269 2.026 20 30 GEEDHN C=C(C)C[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000735397745 598361271 /nfs/dbraw/zinc/36/12/71/598361271.db2.gz DCQXVJKFOLGPTN-IBGZPJMESA-N 0 3 398.511 2.427 20 30 GEEDHN C=C(C)C[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000735397745 598361273 /nfs/dbraw/zinc/36/12/73/598361273.db2.gz DCQXVJKFOLGPTN-IBGZPJMESA-N 0 3 398.511 2.427 20 30 GEEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)CC1 ZINC000735425346 598391870 /nfs/dbraw/zinc/39/18/70/598391870.db2.gz ADPBCZJFVWRPKA-UHFFFAOYSA-N 0 3 385.472 2.426 20 30 GEEDHN CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCN(C2CC2)C1 ZINC000449865053 650054288 /nfs/dbraw/zinc/05/42/88/650054288.db2.gz SWKRCYVVUPOHNV-ZDUSSCGKSA-N 0 3 378.270 2.395 20 30 GEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920778 650508417 /nfs/dbraw/zinc/50/84/17/650508417.db2.gz HOCJFVRYLGXHTE-SMDDNHRTSA-N 0 3 383.279 2.084 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000103036351 643151050 /nfs/dbraw/zinc/15/10/50/643151050.db2.gz OEHCKHDZFJHUGI-KRWDZBQOSA-N 0 3 390.325 2.489 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000117083422 643483315 /nfs/dbraw/zinc/48/33/15/643483315.db2.gz DAPPYGGETHIKMM-LFVRLGFBSA-N 0 3 397.294 2.348 20 30 GEEDHN CC[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000127162407 643760637 /nfs/dbraw/zinc/76/06/37/643760637.db2.gz BOHYGRNQGHVTSU-DLBZAZTESA-N 0 3 393.329 2.498 20 30 GEEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130240403 643833304 /nfs/dbraw/zinc/83/33/04/643833304.db2.gz FRTPVQFVJHOHMQ-SCZZXKLOSA-N 0 3 381.820 2.436 20 30 GEEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(C(=O)NCC)C1 ZINC000152779205 643972904 /nfs/dbraw/zinc/97/29/04/643972904.db2.gz ODKFKQGMHFYRAV-OAHLLOKOSA-N 0 3 380.286 2.355 20 30 GEEDHN CCN1CCN(CCC(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000174432906 644373876 /nfs/dbraw/zinc/37/38/76/644373876.db2.gz AGNBBTQFVVRDED-INIZCTEOSA-N 0 3 379.302 2.158 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000284379494 646840122 /nfs/dbraw/zinc/84/01/22/646840122.db2.gz YMVZOARJXRACHA-UHFFFAOYSA-N 0 3 381.929 2.315 20 30 GEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409186 648114996 /nfs/dbraw/zinc/11/49/96/648114996.db2.gz UHRMFNWCZXXBTH-BXUZGUMPSA-N 0 3 386.315 2.281 20 30 GEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CNCCO1 ZINC000418767568 648310955 /nfs/dbraw/zinc/31/09/55/648310955.db2.gz OAGOGPJYBOMKJQ-CQSZACIVSA-N 0 3 386.265 2.274 20 30 GEEDHN COC(=O)C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Br)cc1 ZINC000424088468 648611920 /nfs/dbraw/zinc/61/19/20/648611920.db2.gz JGOZJPHUBZVRCP-KGLIPLIRSA-N 0 3 382.258 2.191 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H](N)CCCC#N ZINC000424114900 648614257 /nfs/dbraw/zinc/61/42/57/648614257.db2.gz SSMNPEJCDDPQRO-CYBMUJFWSA-N 0 3 381.274 2.224 20 30 GEEDHN Cc1cc(N2CC[C@H](NC(=O)[C@H](N)CCCC#N)C2=O)ccc1Br ZINC000424172562 648615254 /nfs/dbraw/zinc/61/52/54/648615254.db2.gz NDMVALBPLRDPHX-CABCVRRESA-N 0 3 393.285 2.000 20 30 GEEDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)ccc(Br)c1C#N ZINC000563530745 651530442 /nfs/dbraw/zinc/53/04/42/651530442.db2.gz CFHFFZWSNPHDBW-LLVKDONJSA-N 0 3 393.285 2.168 20 30 GEEDHN CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733197801 651693188 /nfs/dbraw/zinc/69/31/88/651693188.db2.gz SHLORTYFHASISQ-CHWSQXEVSA-N 0 3 379.507 2.228 20 30 GEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1N(C)C ZINC000611432561 651723977 /nfs/dbraw/zinc/72/39/77/651723977.db2.gz HVJIKVJLWKXPSV-DJSGYFEHSA-N 0 3 378.567 2.413 20 30 GEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000570392480 651764626 /nfs/dbraw/zinc/76/46/26/651764626.db2.gz JPOHBQZNIVVZNY-LBPRGKRZSA-N 0 3 380.221 2.938 20 30 GEEDHN N#Cc1ccc(Br)c(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000576822169 652145935 /nfs/dbraw/zinc/14/59/35/652145935.db2.gz XSNOYNARNCMXML-INIZCTEOSA-N 0 3 391.313 2.107 20 30 GEEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000578803084 652295118 /nfs/dbraw/zinc/29/51/18/652295118.db2.gz JECSJSFPSVLSMI-OAHLLOKOSA-N 0 3 384.571 2.475 20 30 GEEDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000593718173 652633413 /nfs/dbraw/zinc/63/34/13/652633413.db2.gz MXFWZPJABSJGGJ-UHFFFAOYSA-N 0 3 393.285 2.204 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601972779 653134342 /nfs/dbraw/zinc/13/43/42/653134342.db2.gz PAGYTPXVQYWMAA-MRXNPFEDSA-N 0 3 378.881 2.351 20 30 GEEDHN C[C@H](CC1(C#N)CCOCC1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000602530000 653188451 /nfs/dbraw/zinc/18/84/51/653188451.db2.gz SDEIACIROMURPG-CQSZACIVSA-N 0 3 385.917 2.307 20 30 GEEDHN C=CCC[C@H](CO)NCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000641759809 653233248 /nfs/dbraw/zinc/23/32/48/653233248.db2.gz JLSXINDLJBUJAF-SWLSCSKDSA-N 0 3 385.302 2.379 20 30 GEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(I)c(C)c1 ZINC000836444300 653352669 /nfs/dbraw/zinc/35/26/69/653352669.db2.gz XFLLQDTUKQOHGN-UHFFFAOYSA-N 0 3 399.276 2.354 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558417 653435664 /nfs/dbraw/zinc/43/56/64/653435664.db2.gz MLJHBKJRYFGGRL-CJNGLKHVSA-N 0 3 387.933 2.364 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000876567834 653436144 /nfs/dbraw/zinc/43/61/44/653436144.db2.gz GVFPOVNWZRKGEZ-HNNXBMFYSA-N 0 3 385.917 2.076 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000876785252 653448010 /nfs/dbraw/zinc/44/80/10/653448010.db2.gz RVEJLLFUCDEEHM-HIFRSBDPSA-N 0 3 386.949 2.355 20 30 GEEDHN COCCN1CCC[C@H]1COC(=O)COc1cccc(Br)c1C#N ZINC000861037650 653644008 /nfs/dbraw/zinc/64/40/08/653644008.db2.gz DVGUEQCYRAFJIG-ZDUSSCGKSA-N 0 3 397.269 2.354 20 30 GEEDHN C#CCNC(=O)C1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000782481654 653662309 /nfs/dbraw/zinc/66/23/09/653662309.db2.gz ASYIGDXNUUGMBN-UHFFFAOYSA-N 0 3 383.261 2.428 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000818599426 653734467 /nfs/dbraw/zinc/73/44/67/653734467.db2.gz QIZOEASUMZTCCR-SFHVURJKSA-N 0 3 377.897 2.340 20 30 GEEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)n1cc(Br)cn1 ZINC000842694693 653763150 /nfs/dbraw/zinc/76/31/50/653763150.db2.gz YIOKEMZETIVUJG-JQWIXIFHSA-N 0 3 376.214 2.339 20 30 GEEDHN C=C(Cl)CSc1nc(C)c(CC(=O)C(C#N)C(=O)NCCOC)s1 ZINC000819945455 653763306 /nfs/dbraw/zinc/76/33/06/653763306.db2.gz SYKLPNMRTNALLS-LLVKDONJSA-N 0 3 387.914 2.310 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000884100196 653863518 /nfs/dbraw/zinc/86/35/18/653863518.db2.gz MGTZATHVICHLFI-UIORMTCPSA-N 0 3 380.261 2.386 20 30 GEEDHN C#CCC1(NCC(=O)Nc2ccccc2I)CCOCC1 ZINC000887123263 654020983 /nfs/dbraw/zinc/02/09/83/654020983.db2.gz HKYYBUYDSOVMBO-UHFFFAOYSA-N 0 3 398.244 2.392 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1 ZINC000916872805 654110332 /nfs/dbraw/zinc/11/03/32/654110332.db2.gz OGXYSQXBNGAKQT-OAHLLOKOSA-N 0 3 397.269 2.468 20 30 GEEDHN O=C(N1C[C@H]2CCN(CCOCC(F)(F)C(F)F)C[C@H]2C1)C(F)(F)F ZINC000831576909 654192149 /nfs/dbraw/zinc/19/21/49/654192149.db2.gz LNGPVLHKKVNHQV-ZJUUUORDSA-N 0 3 380.304 2.246 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000852359746 654235464 /nfs/dbraw/zinc/23/54/64/654235464.db2.gz LSXYXLWCIAGTDO-UHFFFAOYSA-N 0 3 380.286 2.308 20 30 GEEDHN C[C@]1(C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417954 654474024 /nfs/dbraw/zinc/47/40/24/654474024.db2.gz XRHRJEBFCWDYOB-SUMWQHHRSA-N 0 3 391.269 2.273 20 30 GEEDHN C#CCN(C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 ZINC000930995017 654725942 /nfs/dbraw/zinc/72/59/42/654725942.db2.gz YTFDKFOCCKVBTO-UHFFFAOYSA-N 0 3 382.291 2.166 20 30 GEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2nccnc2c1Br ZINC000931389651 654740596 /nfs/dbraw/zinc/74/05/96/654740596.db2.gz IUCDTTUAZIDPEH-UHFFFAOYSA-N 0 3 376.258 2.469 20 30 GEEDHN O[C@H](CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939756 654794687 /nfs/dbraw/zinc/79/46/87/654794687.db2.gz JFUIMXKSNYACML-HRDYMLBCSA-N 0 3 383.279 2.365 20 30 GEEDHN CON(C)C(=O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943117 654795295 /nfs/dbraw/zinc/79/52/95/654795295.db2.gz KVCLJKITSRHCNF-OCAPTIKFSA-N 0 3 384.267 2.499 20 30 GEEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906037 721553377 /nfs/dbraw/zinc/55/33/77/721553377.db2.gz IJVBAPDTKIAORW-HKUYNNGSSA-N 0 3 396.466 2.478 20 30 GEEDHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C=NO)c1 ZINC001164980290 722134364 /nfs/dbraw/zinc/13/43/64/722134364.db2.gz MNVUHMDYPIVHNN-QUCCMNQESA-N 0 3 381.480 2.320 20 30 GEEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)N(CC)C2CCCCC2)s1 ZINC000479014242 531352458 /nfs/dbraw/zinc/35/24/58/531352458.db2.gz RYRAFRRIJUUYNW-LBPRGKRZSA-N 0 3 386.543 2.479 20 30 GEEDHN C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)CN1CCCC1 ZINC000155136943 531659945 /nfs/dbraw/zinc/65/99/45/531659945.db2.gz OMKJKHLHPHCMJF-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(Cl)c1OCC(N)=O ZINC000041517164 531665764 /nfs/dbraw/zinc/66/57/64/531665764.db2.gz NZZLQWOMMGOLKX-JTQLQIEISA-N 0 3 379.825 2.468 20 30 GEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000183910353 532330096 /nfs/dbraw/zinc/33/00/96/532330096.db2.gz BBIGPDLBWYBMCN-SJLPKXTDSA-N 0 3 391.265 2.384 20 30 GEEDHN CCN(CC)S(=O)(=O)c1ccc(CCNCc2cc(C#N)n(C)c2)s1 ZINC000190950459 532358829 /nfs/dbraw/zinc/35/88/29/532358829.db2.gz LTZZWOPPDIOXSK-UHFFFAOYSA-N 0 3 380.539 2.321 20 30 GEEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886646 532388012 /nfs/dbraw/zinc/38/80/12/532388012.db2.gz SXSNQPUWMAGMBJ-XHDPSFHLSA-N 0 3 386.315 2.281 20 30 GEEDHN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000517230563 532410487 /nfs/dbraw/zinc/41/04/87/532410487.db2.gz GLLQCHIJDBHYGK-XYPHTWIQSA-N 0 3 384.318 2.321 20 30 GEEDHN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC[C@H](O)CN(C)CCC#N ZINC000517230560 532409047 /nfs/dbraw/zinc/40/90/47/532409047.db2.gz GLLQCHIJDBHYGK-JQFCIGGWSA-N 0 3 384.318 2.321 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000521862846 532518566 /nfs/dbraw/zinc/51/85/66/532518566.db2.gz MLOPYOUSSGJHMW-INIZCTEOSA-N 0 3 380.535 2.366 20 30 GEEDHN Cn1cc(Br)cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1=O ZINC000471054833 532540831 /nfs/dbraw/zinc/54/08/31/532540831.db2.gz CROMDNLNKIDRLF-ZDUSSCGKSA-N 0 3 385.221 2.340 20 30 GEEDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000595089449 532544229 /nfs/dbraw/zinc/54/42/29/532544229.db2.gz ILTGSEUERZASPD-CYBMUJFWSA-N 0 3 393.285 2.248 20 30 GEEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Br ZINC000376618603 532621254 /nfs/dbraw/zinc/62/12/54/532621254.db2.gz PEHFZNAPRSJSPA-ZIAGYGMSSA-N 0 3 379.258 2.305 20 30 GEEDHN C[C@@H]1CCSCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000502842970 532740834 /nfs/dbraw/zinc/74/08/34/532740834.db2.gz OOPNGJXGNLVSNL-CVEARBPZSA-N 0 3 378.567 2.284 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000302136841 532767068 /nfs/dbraw/zinc/76/70/68/532767068.db2.gz DIWSOFVNPWNBSV-UHFFFAOYSA-N 0 3 377.286 2.065 20 30 GEEDHN COC(=O)[C@H]1CSCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000412086659 532785015 /nfs/dbraw/zinc/78/50/15/532785015.db2.gz VFFBNIRGNIQOJJ-CYBMUJFWSA-N 0 3 381.885 2.378 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)c(Cl)c1 ZINC000542797245 532780343 /nfs/dbraw/zinc/78/03/43/532780343.db2.gz BIUQOTHLUQKNHP-UHFFFAOYSA-N 0 3 383.901 2.135 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000288086542 532817160 /nfs/dbraw/zinc/81/71/60/532817160.db2.gz KFVPMTNUUKNCBM-CYBMUJFWSA-N 0 3 398.326 2.427 20 30 GEEDHN COc1ccc(Br)c(CNC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000330813502 532827520 /nfs/dbraw/zinc/82/75/20/532827520.db2.gz CMTKYKOEERTOBL-CQSZACIVSA-N 0 3 386.290 2.134 20 30 GEEDHN C=CCN1CCC(NC(=O)Nc2ccncc2I)CC1 ZINC000273934777 532837644 /nfs/dbraw/zinc/83/76/44/532837644.db2.gz WIRXNSPOCBXGRC-UHFFFAOYSA-N 0 3 386.237 2.458 20 30 GEEDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000290170888 532874746 /nfs/dbraw/zinc/87/47/46/532874746.db2.gz XWEKSKXQJXSGJK-GFCCVEGCSA-N 0 3 395.301 2.496 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000293518706 532928014 /nfs/dbraw/zinc/92/80/14/532928014.db2.gz YRQTTXJJSGYJME-UHFFFAOYSA-N 0 3 376.507 2.028 20 30 GEEDHN C(=NNCc1ccc(-c2nn[nH]n2)cc1)C1(CN2CCOCC2)CCCCC1 ZINC000819718770 607252961 /nfs/dbraw/zinc/25/29/61/607252961.db2.gz PKTCSFVGDUAQHZ-UHFFFAOYSA-N 0 3 383.500 2.225 20 30 GEEDHN COc1ccc(-c2nn[nH]n2)cc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000826183256 607518146 /nfs/dbraw/zinc/51/81/46/607518146.db2.gz JJHKQBYIIQOPDW-UHFFFAOYSA-N 0 3 389.463 2.459 20 30 GEEDHN C[NH+](C)Cc1ccc(C(N)=NOCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821587126 606839571 /nfs/dbraw/zinc/83/95/71/606839571.db2.gz HYTVKSQKQCKRLF-UHFFFAOYSA-N 0 3 395.467 2.034 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000821586223 607114041 /nfs/dbraw/zinc/11/40/41/607114041.db2.gz OTDJMNOVYRUMGV-UHFFFAOYSA-N 0 3 392.423 2.215 20 30 GEEDHN CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825411873 609257283 /nfs/dbraw/zinc/25/72/83/609257283.db2.gz FVHUZCWRJZLYEE-VQIMIIECSA-N 0 3 396.495 2.112 20 30 GEEDHN N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000826385549 609599984 /nfs/dbraw/zinc/59/99/84/609599984.db2.gz QPXZOCATFLSPOM-OAHLLOKOSA-N 0 3 379.449 2.085 20 30 GEEDHN CN1CC[C@@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1 ZINC000450487963 650066051 /nfs/dbraw/zinc/06/60/51/650066051.db2.gz NVZBVNGBYYFWOH-IUODEOHRSA-N 0 3 378.270 2.252 20 30 GEEDHN N#Cc1c(Br)cccc1N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000450893913 650074527 /nfs/dbraw/zinc/07/45/27/650074527.db2.gz SSXZPNRIWWHHRU-ZDUSSCGKSA-N 0 3 377.286 2.111 20 30 GEEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000510987243 650522646 /nfs/dbraw/zinc/52/26/46/650522646.db2.gz UYWXFCXOLSHNFJ-ZDUSSCGKSA-N 0 3 386.315 2.473 20 30 GEEDHN CC(C)(COc1ncccc1Br)NCC(=O)NC1(C#N)CCC1 ZINC000526135280 650664355 /nfs/dbraw/zinc/66/43/55/650664355.db2.gz UUOSSRMBUFECFE-UHFFFAOYSA-N 0 3 381.274 2.154 20 30 GEEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130240208 643833279 /nfs/dbraw/zinc/83/32/79/643833279.db2.gz FRTPVQFVJHOHMQ-WPRPVWTQSA-N 0 3 381.820 2.436 20 30 GEEDHN CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)c2cnccc21 ZINC000154023926 644015492 /nfs/dbraw/zinc/01/54/92/644015492.db2.gz SBEKUXOAUWOCJU-UHFFFAOYSA-N 0 3 393.266 2.361 20 30 GEEDHN CN(C)CCN1C[C@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797170 644343924 /nfs/dbraw/zinc/34/39/24/644343924.db2.gz JMBODKGUMPNDII-BXUZGUMPSA-N 0 3 383.279 2.084 20 30 GEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797172 644344134 /nfs/dbraw/zinc/34/41/34/644344134.db2.gz JMBODKGUMPNDII-SMDDNHRTSA-N 0 3 383.279 2.084 20 30 GEEDHN C=CCN1CCC(NC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000264386186 645682937 /nfs/dbraw/zinc/68/29/37/645682937.db2.gz MGSIITIHYZBQBO-UHFFFAOYSA-N 0 3 377.539 2.452 20 30 GEEDHN O=C(NC[C@]1(O)CCSC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000329974386 647326832 /nfs/dbraw/zinc/32/68/32/647326832.db2.gz DAHYZNQYBKFIKK-SSDMNJCBSA-N 0 3 381.464 2.163 20 30 GEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419694186 648365639 /nfs/dbraw/zinc/36/56/39/648365639.db2.gz JAHIUYNVEJWLGC-CYBMUJFWSA-N 0 3 393.285 2.250 20 30 GEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419698372 648366633 /nfs/dbraw/zinc/36/66/33/648366633.db2.gz YZOIDOMTNQBKBO-UHFFFAOYSA-N 0 3 395.301 2.305 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](N)CCCC#N ZINC000424082146 648611481 /nfs/dbraw/zinc/61/14/81/648611481.db2.gz VXOCCBPAINGWNO-ZDUSSCGKSA-N 0 3 381.274 2.176 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCCN(C)C1 ZINC000604198018 651509856 /nfs/dbraw/zinc/50/98/56/651509856.db2.gz DLWLKXZTNCZQBS-ZDUSSCGKSA-N 0 3 396.285 2.309 20 30 GEEDHN N#Cc1cc(Br)ccc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000565139138 651589384 /nfs/dbraw/zinc/58/93/84/651589384.db2.gz OEGHEOIURYADSE-UHFFFAOYSA-N 0 3 391.313 2.061 20 30 GEEDHN C=C(C)CNC(=S)N(CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000747760268 652178013 /nfs/dbraw/zinc/17/80/13/652178013.db2.gz MUERBPDBANIRDA-INIZCTEOSA-N 0 3 375.604 2.045 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657681783 652191036 /nfs/dbraw/zinc/19/10/36/652191036.db2.gz RQMXIHUNPNPWKQ-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN CC(C)N1CCO[C@H](C(=N)NOCc2cc(C#N)ccc2Br)C1 ZINC000754885980 652450419 /nfs/dbraw/zinc/45/04/19/652450419.db2.gz RLGXEMBULHDPBB-HNNXBMFYSA-N 0 3 381.274 2.428 20 30 GEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593450510 652621519 /nfs/dbraw/zinc/62/15/19/652621519.db2.gz NFWYLRPREKHPED-QGZVFWFLSA-N 0 3 394.313 2.432 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1Cc2cccc(C#N)c2C1 ZINC000593673066 652630958 /nfs/dbraw/zinc/63/09/58/652630958.db2.gz UTBSQGPBAOGHTO-CYBMUJFWSA-N 0 3 376.356 2.088 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000594430910 652648549 /nfs/dbraw/zinc/64/85/49/652648549.db2.gz DADYZLJIYLBCCT-ZDUSSCGKSA-N 0 3 382.258 2.248 20 30 GEEDHN COc1cc(Br)c(CNC(=O)[C@@H](N)CCCCC#N)cc1OC ZINC000594437531 652649240 /nfs/dbraw/zinc/64/92/40/652649240.db2.gz LXBOQTWZBSSTST-ZDUSSCGKSA-N 0 3 384.274 2.494 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000594440815 652650118 /nfs/dbraw/zinc/65/01/18/652650118.db2.gz ZXNUZNNIPQIGHF-HNNXBMFYSA-N 0 3 395.301 2.096 20 30 GEEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723646 652831659 /nfs/dbraw/zinc/83/16/59/652831659.db2.gz JFIBQMWWWOUKDS-GJZGRUSLSA-N 0 3 380.286 2.445 20 30 GEEDHN N#CC1(C[C@@H](O)CN[C@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357389 652863701 /nfs/dbraw/zinc/86/37/01/652863701.db2.gz QAGIDRFRZMQBRE-HZPDHXFCSA-N 0 3 383.286 2.143 20 30 GEEDHN C=C(Br)CNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000807686838 653201716 /nfs/dbraw/zinc/20/17/16/653201716.db2.gz KWFMFKPRQSFEFU-UHFFFAOYSA-N 0 3 386.334 2.174 20 30 GEEDHN CN(C)c1ccncc1CN=Nc1ncnc2c1c(Br)nn2C ZINC000776180780 653341292 /nfs/dbraw/zinc/34/12/92/653341292.db2.gz QVGQWZDSAOZXPM-UHFFFAOYSA-N 0 3 375.234 2.033 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000836487835 653355651 /nfs/dbraw/zinc/35/56/51/653355651.db2.gz KMIFWNQSBHPQIE-QGZVFWFLSA-N 0 3 394.313 2.487 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000876625504 653438608 /nfs/dbraw/zinc/43/86/08/653438608.db2.gz WVULNWLYEHJQDQ-NSHDSACASA-N 0 3 375.650 2.306 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893561 653452316 /nfs/dbraw/zinc/45/23/16/653452316.db2.gz MGERCSUBBWCDSJ-STQMWFEESA-N 0 3 375.778 2.175 20 30 GEEDHN CO[C@H]1CN(C)[C@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861353997 653655521 /nfs/dbraw/zinc/65/55/21/653655521.db2.gz RTFYFKRZKPILFB-PBHICJAKSA-N 0 3 397.269 2.352 20 30 GEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)CCCC#N)nc1C ZINC000818055042 653724732 /nfs/dbraw/zinc/72/47/32/653724732.db2.gz VBIBDLOGPKTYQW-JTQLQIEISA-N 0 3 377.499 2.144 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCCSCc2ccnc(Cl)c2)nc1 ZINC000819202544 653746133 /nfs/dbraw/zinc/74/61/33/653746133.db2.gz LMMDNKPHAJVTHM-UHFFFAOYSA-N 0 3 396.925 2.298 20 30 GEEDHN C#CCN1C(=O)C[C@@H](N2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771621 653806339 /nfs/dbraw/zinc/80/63/39/653806339.db2.gz IDSGSFYGYIHDTG-GDBMZVCRSA-N 0 3 375.266 2.074 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(I)cc1)C2 ZINC000884045704 653861416 /nfs/dbraw/zinc/86/14/16/653861416.db2.gz DXEKGCHWTHPVKG-LOIXOFCESA-N 0 3 381.217 2.369 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCOc1ccc(Br)cc1)C2 ZINC000884110615 653863959 /nfs/dbraw/zinc/86/39/59/653863959.db2.gz OKXSGDROSZUVNH-UIORMTCPSA-N 0 3 378.270 2.083 20 30 GEEDHN COc1ccc(Br)cc1CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884114193 653864331 /nfs/dbraw/zinc/86/43/31/653864331.db2.gz KUMVTPZYJRCKIL-UIORMTCPSA-N 0 3 378.270 2.213 20 30 GEEDHN Cc1nc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)ccc1I ZINC000884291566 653871045 /nfs/dbraw/zinc/87/10/45/653871045.db2.gz BLJIAAHKERSJGH-VTWZXRTESA-N 0 3 396.232 2.073 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000884435783 653876938 /nfs/dbraw/zinc/87/69/38/653876938.db2.gz JXNJVRSUJOXMGH-NOEPWBJOSA-N 0 3 384.224 2.483 20 30 GEEDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000867582245 653956418 /nfs/dbraw/zinc/95/64/18/653956418.db2.gz SLSGCGQWTBDCRX-UHFFFAOYSA-N 0 3 385.917 2.191 20 30 GEEDHN C#CCN(C(=O)c1cccn2ncc(Br)c12)C1CCN(C)CC1 ZINC000886572510 653992155 /nfs/dbraw/zinc/99/21/55/653992155.db2.gz OPGCPFRBWILROZ-UHFFFAOYSA-N 0 3 375.270 2.266 20 30 GEEDHN C#CCN(C(=O)c1cccc(I)c1)C1CCN(C)CC1 ZINC000886589290 653992662 /nfs/dbraw/zinc/99/26/62/653992662.db2.gz PRVOZWFMIONLOY-UHFFFAOYSA-N 0 3 382.245 2.461 20 30 GEEDHN C#CCC1(NCC(=O)Nc2cccc(I)c2)CCOCC1 ZINC000887123230 654020881 /nfs/dbraw/zinc/02/08/81/654020881.db2.gz GFSYHRWIBJRMSJ-UHFFFAOYSA-N 0 3 398.244 2.392 20 30 GEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877752 654045325 /nfs/dbraw/zinc/04/53/25/654045325.db2.gz BWXJAXKXCRDRQE-LZWOXQAQSA-N 0 3 387.933 2.275 20 30 GEEDHN N#C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)c1cccc(Br)c1 ZINC000900465300 654066028 /nfs/dbraw/zinc/06/60/28/654066028.db2.gz ZNQPFLXTKVTDBI-MRXNPFEDSA-N 0 3 378.270 2.241 20 30 GEEDHN CN(C)CCn1nccc1C(=O)N[C@H](C#N)c1ccccc1Br ZINC000900701631 654077208 /nfs/dbraw/zinc/07/72/08/654077208.db2.gz ZITUMURYWPHIPP-CQSZACIVSA-N 0 3 376.258 2.202 20 30 GEEDHN COc1cnccc1N1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888421083 654082941 /nfs/dbraw/zinc/08/29/41/654082941.db2.gz XPEGWOJPPHIXBI-UHFFFAOYSA-N 0 3 378.845 2.426 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000870943089 654211206 /nfs/dbraw/zinc/21/12/06/654211206.db2.gz WVKKUPTVTSQUFC-IBGZPJMESA-N 0 3 393.325 2.204 20 30 GEEDHN N#Cc1ccc(Br)c(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000921827332 654328244 /nfs/dbraw/zinc/32/82/44/654328244.db2.gz ZGXOHYSLAURILP-UHFFFAOYSA-N 0 3 398.326 2.367 20 30 GEEDHN O[C@H](CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939757 654794802 /nfs/dbraw/zinc/79/48/02/654794802.db2.gz JFUIMXKSNYACML-IWSPIJDZSA-N 0 3 383.279 2.365 20 30 GEEDHN CON(C)C(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943118 654795227 /nfs/dbraw/zinc/79/52/27/654795227.db2.gz KVCLJKITSRHCNF-YUMQZZPRSA-N 0 3 384.267 2.499 20 30 GEEDHN C=CCNC(=O)NC(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000055055597 531780448 /nfs/dbraw/zinc/78/04/48/531780448.db2.gz FTVISPLPXVCZNY-UHFFFAOYSA-N 0 3 396.285 2.056 20 30 GEEDHN CC(C)(COc1ncccc1Br)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000180395008 532270711 /nfs/dbraw/zinc/27/07/11/532270711.db2.gz ITXHCZSXFLICSZ-KRWDZBQOSA-N 0 3 395.301 2.400 20 30 GEEDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181084530 532290637 /nfs/dbraw/zinc/29/06/37/532290637.db2.gz WKKHKEUGGCBUQE-UHFFFAOYSA-N 0 3 393.329 2.307 20 30 GEEDHN N#Cc1ccc(Br)c(CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000191782690 532366528 /nfs/dbraw/zinc/36/65/28/532366528.db2.gz OLXDJFGVSZBRBD-UHFFFAOYSA-N 0 3 391.313 2.061 20 30 GEEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000590665448 532380578 /nfs/dbraw/zinc/38/05/78/532380578.db2.gz IIQCWNQRNZMMJQ-ZDUSSCGKSA-N 0 3 378.270 2.396 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000558097934 532385677 /nfs/dbraw/zinc/38/56/77/532385677.db2.gz JTQYZVUYLFATPS-KRWDZBQOSA-N 0 3 391.313 2.059 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)Cc1ccc(C#N)cc1 ZINC000295165507 532413508 /nfs/dbraw/zinc/41/35/08/532413508.db2.gz FKPYCEDGJLUCEY-CYBMUJFWSA-N 0 3 378.372 2.204 20 30 GEEDHN N#Cc1c(F)ccc(CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1Cl ZINC000372980548 532422365 /nfs/dbraw/zinc/42/23/65/532422365.db2.gz JVOSAXWUKYHINX-CQSZACIVSA-N 0 3 385.892 2.092 20 30 GEEDHN CCN1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592757933 532460024 /nfs/dbraw/zinc/46/00/24/532460024.db2.gz APIXUDNTJOENIZ-INIZCTEOSA-N 0 3 391.313 2.357 20 30 GEEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCN(CC)C1 ZINC000595133203 532545400 /nfs/dbraw/zinc/54/54/00/532545400.db2.gz YHXMLFWQIHQHIV-CQSZACIVSA-N 0 3 393.285 2.202 20 30 GEEDHN C[C@@H]1CCSCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000502842972 532740594 /nfs/dbraw/zinc/74/05/94/532740594.db2.gz OOPNGJXGNLVSNL-HZPDHXFCSA-N 0 3 378.567 2.284 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)CN(C)C ZINC000286912748 532775079 /nfs/dbraw/zinc/77/50/79/532775079.db2.gz HSVQUAQAUOBQHZ-NSHDSACASA-N 0 3 384.274 2.165 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CSCCS2)cc1 ZINC000287020905 532779166 /nfs/dbraw/zinc/77/91/66/532779166.db2.gz FEKGIQRUAAOHOB-YPMHNXCESA-N 0 3 385.536 2.342 20 30 GEEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)CN1CCN(C)CC1 ZINC000287227873 532786872 /nfs/dbraw/zinc/78/68/72/532786872.db2.gz NRACQSFLCBXNAL-ZDUSSCGKSA-N 0 3 394.317 2.326 20 30 GEEDHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329517389 532807673 /nfs/dbraw/zinc/80/76/73/532807673.db2.gz PHOOMNTWOQELLE-GHMZBOCLSA-N 0 3 377.919 2.263 20 30 GEEDHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329517389 532807676 /nfs/dbraw/zinc/80/76/76/532807676.db2.gz PHOOMNTWOQELLE-GHMZBOCLSA-N 0 3 377.919 2.263 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287645722 532804470 /nfs/dbraw/zinc/80/44/70/532804470.db2.gz NYSAHLULRSQTAO-UHFFFAOYSA-N 0 3 391.269 2.026 20 30 GEEDHN C[NH+](C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677141 532825186 /nfs/dbraw/zinc/82/51/86/532825186.db2.gz UXAONPWNDBIAOL-RYUDHWBXSA-N 0 3 386.315 2.472 20 30 GEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)CCC(=O)OC ZINC000288757203 532837767 /nfs/dbraw/zinc/83/77/67/532837767.db2.gz NVTCKVDOCXRYMH-AWEZNQCLSA-N 0 3 387.249 2.383 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000293520596 532927970 /nfs/dbraw/zinc/92/79/70/532927970.db2.gz YVIFNHNCVDZKIE-UHFFFAOYSA-N 0 3 375.778 2.369 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000293381368 532926109 /nfs/dbraw/zinc/92/61/09/532926109.db2.gz MWVJIKBSYSNVCT-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821584868 606019599 /nfs/dbraw/zinc/01/95/99/606019599.db2.gz VOYCZRJDXFGIEI-UHFFFAOYSA-N 0 3 376.852 2.219 20 30 GEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821584868 606019602 /nfs/dbraw/zinc/01/96/02/606019602.db2.gz VOYCZRJDXFGIEI-UHFFFAOYSA-N 0 3 376.852 2.219 20 30 GEEDHN C=CCN1CCC(NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823920164 608411291 /nfs/dbraw/zinc/41/12/91/608411291.db2.gz YUPAJDOAFPUWPJ-UHFFFAOYSA-N 0 3 393.495 2.316 20 30 GEEDHN N#CC(C(=O)Nc1nncs1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826379629 608494995 /nfs/dbraw/zinc/49/49/95/608494995.db2.gz XHGBBXKSBWIDLG-SNVBAGLBSA-N 0 3 395.433 2.088 20 30 GEEDHN N#CCC[C@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381699 608555790 /nfs/dbraw/zinc/55/57/90/608555790.db2.gz VPUDVPDTSKWIOX-HKUYNNGSSA-N 0 3 378.436 2.241 20 30 GEEDHN N#Cc1ccc(C[N@@H+]2CCCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826384783 609457609 /nfs/dbraw/zinc/45/76/09/609457609.db2.gz JQIFKNLAEOAJRO-UHFFFAOYSA-N 0 3 399.462 2.098 20 30 GEEDHN N#Cc1ccc(C[N@H+]2CCCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826384783 609457610 /nfs/dbraw/zinc/45/76/10/609457610.db2.gz JQIFKNLAEOAJRO-UHFFFAOYSA-N 0 3 399.462 2.098 20 30 GEEDHN N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000826385548 609600031 /nfs/dbraw/zinc/60/00/31/609600031.db2.gz QPXZOCATFLSPOM-HNNXBMFYSA-N 0 3 379.449 2.085 20 30 GEEDHN C=CCN1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449845565 650053217 /nfs/dbraw/zinc/05/32/17/650053217.db2.gz QILPTSGWJDYCMC-UHFFFAOYSA-N 0 3 378.270 2.466 20 30 GEEDHN C=CCN1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449841812 650053271 /nfs/dbraw/zinc/05/32/71/650053271.db2.gz BMOWXHWDFSZKIC-UHFFFAOYSA-N 0 3 378.270 2.466 20 30 GEEDHN CS[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1N(C)C ZINC000450264874 650063185 /nfs/dbraw/zinc/06/31/85/650063185.db2.gz HGMQTOJJZKDNND-HUUCEWRRSA-N 0 3 398.326 2.204 20 30 GEEDHN CS[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1N(C)C ZINC000450264873 650063212 /nfs/dbraw/zinc/06/32/12/650063212.db2.gz HGMQTOJJZKDNND-GJZGRUSLSA-N 0 3 398.326 2.204 20 30 GEEDHN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451574432 650126641 /nfs/dbraw/zinc/12/66/41/650126641.db2.gz VRVBAOFORXAULF-SNVBAGLBSA-N 0 3 392.294 2.467 20 30 GEEDHN CC(C)[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451574432 650126644 /nfs/dbraw/zinc/12/66/44/650126644.db2.gz VRVBAOFORXAULF-SNVBAGLBSA-N 0 3 392.294 2.467 20 30 GEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500202660 650372174 /nfs/dbraw/zinc/37/21/74/650372174.db2.gz OQTDXTVCEXUVQU-UHFFFAOYSA-N 0 3 395.301 2.305 20 30 GEEDHN CCCN(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503282813 650417411 /nfs/dbraw/zinc/41/74/11/650417411.db2.gz KXPDHPXMKUIQOZ-KRWDZBQOSA-N 0 3 393.329 2.500 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000480734538 650629893 /nfs/dbraw/zinc/62/98/93/650629893.db2.gz QKHQYVNUWCLIMV-IRXDYDNUSA-N 0 3 383.514 2.039 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112483644 643363974 /nfs/dbraw/zinc/36/39/74/643363974.db2.gz VAUVEJVMKRLUAT-CHWSQXEVSA-N 0 3 397.269 2.468 20 30 GEEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497899862 650841176 /nfs/dbraw/zinc/84/11/76/650841176.db2.gz QOWDTLFVOVPBFM-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000117083418 643482526 /nfs/dbraw/zinc/48/25/26/643482526.db2.gz DAPPYGGETHIKMM-PSLXWICFSA-N 0 3 397.294 2.348 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cn1 ZINC000171093709 644307983 /nfs/dbraw/zinc/30/79/83/644307983.db2.gz HPTPQTRMSKSBOK-UHFFFAOYSA-N 0 3 376.507 2.205 20 30 GEEDHN N#CC(C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000193467890 645276045 /nfs/dbraw/zinc/27/60/45/645276045.db2.gz ITCCUDKBIQQDOG-JTQLQIEISA-N 0 3 382.163 2.446 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@H]21 ZINC000247096561 645504538 /nfs/dbraw/zinc/50/45/38/645504538.db2.gz PSYNCPFEKICEIC-CZUORRHYSA-N 0 3 398.326 2.426 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277410651 646415689 /nfs/dbraw/zinc/41/56/89/646415689.db2.gz TWDIIXSGMNZDGL-OAHLLOKOSA-N 0 3 393.325 2.062 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1Br ZINC000278962561 646566982 /nfs/dbraw/zinc/56/69/82/646566982.db2.gz BKEUHAVUTPKZJP-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287516859 646889312 /nfs/dbraw/zinc/88/93/12/646889312.db2.gz RQSSIOXZCDELBC-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416496493 648148863 /nfs/dbraw/zinc/14/88/63/648148863.db2.gz PTAKPTDWAWHSFL-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000555134612 651219071 /nfs/dbraw/zinc/21/90/71/651219071.db2.gz VBECZEYWPFFWFC-MRXNPFEDSA-N 0 3 377.286 2.064 20 30 GEEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H](C)CS(C)(=O)=O ZINC000732985984 651683718 /nfs/dbraw/zinc/68/37/18/651683718.db2.gz XQHKBKIHNCIMQB-STQMWFEESA-N 0 3 379.507 2.228 20 30 GEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1N(C)C ZINC000611432563 651723922 /nfs/dbraw/zinc/72/39/22/651723922.db2.gz HVJIKVJLWKXPSV-SGIREYDYSA-N 0 3 378.567 2.413 20 30 GEEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCNC2=O)CC1 ZINC000574044792 651996958 /nfs/dbraw/zinc/99/69/58/651996958.db2.gz FHGZTBDMHLNDCE-DOTOQJQBSA-N 0 3 391.313 2.158 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000588111161 652547644 /nfs/dbraw/zinc/54/76/44/652547644.db2.gz KPRORGRLCAHMCO-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN N#Cc1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000590763052 652581413 /nfs/dbraw/zinc/58/14/13/652581413.db2.gz RHFYJILUSNLAFQ-MRXNPFEDSA-N 0 3 391.313 2.107 20 30 GEEDHN CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H](N)CCCCC#N ZINC000594425959 652648415 /nfs/dbraw/zinc/64/84/15/652648415.db2.gz NNBQXSOKCOVXTG-ZDUSSCGKSA-N 0 3 381.274 2.257 20 30 GEEDHN CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCN(C)C1 ZINC000597944001 652793772 /nfs/dbraw/zinc/79/37/72/652793772.db2.gz BPCKVOXUMUFTDJ-INIZCTEOSA-N 0 3 391.313 2.310 20 30 GEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)N1CCCCC1 ZINC000806857825 653177147 /nfs/dbraw/zinc/17/71/47/653177147.db2.gz XAIPUHWMIZPWSY-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000602572647 653191777 /nfs/dbraw/zinc/19/17/77/653191777.db2.gz SEXJFXAJMKGCKF-LBPRGKRZSA-N 0 3 391.946 2.368 20 30 GEEDHN C#C[C@@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1ccc(Br)cc1 ZINC000836317113 653344345 /nfs/dbraw/zinc/34/43/45/653344345.db2.gz COQSBCSMRXMNQG-JKSUJKDBSA-N 0 3 380.286 2.143 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000876567835 653436079 /nfs/dbraw/zinc/43/60/79/653436079.db2.gz GVFPOVNWZRKGEZ-OAHLLOKOSA-N 0 3 385.917 2.076 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(I)s1 ZINC000876644745 653440808 /nfs/dbraw/zinc/44/08/08/653440808.db2.gz HCXIMPSCBVLQAR-SECBINFHSA-N 0 3 384.670 2.481 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000876672946 653441874 /nfs/dbraw/zinc/44/18/74/653441874.db2.gz YSEHQUZEJZRDSG-CYBMUJFWSA-N 0 3 377.794 2.250 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(I)cc1 ZINC000876974288 653457412 /nfs/dbraw/zinc/45/74/12/653457412.db2.gz BZKYQRPCJLSMOU-LBPRGKRZSA-N 0 3 378.641 2.420 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000838623736 653626474 /nfs/dbraw/zinc/62/64/74/653626474.db2.gz KEXGDHULLSTIKQ-MRXNPFEDSA-N 0 3 382.302 2.127 20 30 GEEDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861354001 653655573 /nfs/dbraw/zinc/65/55/73/653655573.db2.gz RTFYFKRZKPILFB-WMLDXEAASA-N 0 3 397.269 2.352 20 30 GEEDHN C#C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000820612239 653778219 /nfs/dbraw/zinc/77/82/19/653778219.db2.gz SNMYIGIVNNBVNK-SJORKVTESA-N 0 3 394.313 2.269 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000884100195 653863448 /nfs/dbraw/zinc/86/34/48/653863448.db2.gz MGTZATHVICHLFI-JZLYGMAVSA-N 0 3 380.261 2.386 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335668 653873090 /nfs/dbraw/zinc/87/30/90/653873090.db2.gz ZPXNPCOURYIJDE-RQGKPGFFSA-N 0 3 394.244 2.277 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCOc3cc(Br)ccc3C1)C2 ZINC000884418387 653876261 /nfs/dbraw/zinc/87/62/61/653876261.db2.gz HVNTUTUBIGTRKY-FVRSWCFKSA-N 0 3 390.281 2.309 20 30 GEEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848543515 653986803 /nfs/dbraw/zinc/98/68/03/653986803.db2.gz GWJHNGULPPAWRV-JTQLQIEISA-N 0 3 378.288 2.415 20 30 GEEDHN C#CCN(C(=O)COc1cccc(Br)c1C#N)C1CCN(C)CC1 ZINC000886574490 653992120 /nfs/dbraw/zinc/99/21/20/653992120.db2.gz IKVHOXIIAXKSGW-UHFFFAOYSA-N 0 3 390.281 2.256 20 30 GEEDHN C#CCN(C(=O)Cc1ccccc1I)C1CCN(C)CC1 ZINC000886580046 653992519 /nfs/dbraw/zinc/99/25/19/653992519.db2.gz SVWXPIIJWYVCOC-UHFFFAOYSA-N 0 3 396.272 2.390 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1CCN(C)CC1 ZINC000886575563 653992676 /nfs/dbraw/zinc/99/26/76/653992676.db2.gz ACMDPMAQHADVJW-UHFFFAOYSA-N 0 3 391.269 2.201 20 30 GEEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cnc(C#N)n1 ZINC000798815601 654077234 /nfs/dbraw/zinc/07/72/34/654077234.db2.gz ASRMKYOTNKZAJL-UFBFGSQYSA-N 0 3 377.191 2.365 20 30 GEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1 ZINC000916924287 654110812 /nfs/dbraw/zinc/11/08/12/654110812.db2.gz BCRPULYLYCPCCZ-GFCCVEGCSA-N 0 3 391.225 2.392 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000916919071 654110887 /nfs/dbraw/zinc/11/08/87/654110887.db2.gz YNCTXZQYWYGJDS-CYBMUJFWSA-N 0 3 375.841 2.024 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000916919072 654110926 /nfs/dbraw/zinc/11/09/26/654110926.db2.gz YNCTXZQYWYGJDS-ZDUSSCGKSA-N 0 3 375.841 2.024 20 30 GEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917425374 654124244 /nfs/dbraw/zinc/12/42/44/654124244.db2.gz ACQNYYIOEGDQOW-GFCCVEGCSA-N 0 3 391.225 2.392 20 30 GEEDHN N#CC(C(=O)NC1CC1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000918486446 654152582 /nfs/dbraw/zinc/15/25/82/654152582.db2.gz HZCNPDLIAUJOJS-GFCCVEGCSA-N 0 3 379.869 2.241 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000889962003 654189489 /nfs/dbraw/zinc/18/94/89/654189489.db2.gz WSZUFJLEADTADR-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN C[C@@H](C#N)OCCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930239 654212727 /nfs/dbraw/zinc/21/27/27/654212727.db2.gz KBKWPWIRUJFHQC-QWHCGFSZSA-N 0 3 381.274 2.423 20 30 GEEDHN C[C@]12CCN(C(=O)[C@@H](N)CCCC#N)C[C@H]1C2(Br)Br ZINC000852901425 654266530 /nfs/dbraw/zinc/26/65/30/654266530.db2.gz HQRTWADUEHDPBC-UMNHJUIQSA-N 0 3 393.123 2.362 20 30 GEEDHN C#C[C@H](NC(=O)CCN1CCN(CC)CC1)c1ccc(Br)cc1 ZINC000833230822 654303852 /nfs/dbraw/zinc/30/38/52/654303852.db2.gz LENJYHJEDXEJBK-KRWDZBQOSA-N 0 3 378.314 2.267 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905554007 654365486 /nfs/dbraw/zinc/36/54/86/654365486.db2.gz CYOLKKXKBOAWOK-DZGCQCFKSA-N 0 3 376.400 2.422 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905557110 654365848 /nfs/dbraw/zinc/36/58/48/654365848.db2.gz SOBKUQPDZCNWHO-HIFRSBDPSA-N 0 3 376.400 2.422 20 30 GEEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906920307 654487793 /nfs/dbraw/zinc/48/77/93/654487793.db2.gz DHWSOGCAFYCDAY-UHFFFAOYSA-N 0 3 386.315 2.283 20 30 GEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063744 654505817 /nfs/dbraw/zinc/50/58/17/654505817.db2.gz RTBWLAVRBCKUPZ-LRDDRELGSA-N 0 3 398.326 2.426 20 30 GEEDHN C#CCN(C)CCCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925314186 654541003 /nfs/dbraw/zinc/54/10/03/654541003.db2.gz RRRWYOGKUPSTGJ-MRXNPFEDSA-N 0 3 390.281 2.093 20 30 GEEDHN N#Cc1cc(Cl)c(C(=O)NCC(=O)NCCN2CCCCC2)c(Cl)c1 ZINC000909319133 654659668 /nfs/dbraw/zinc/65/96/68/654659668.db2.gz SHOUTJFPIGLIDM-UHFFFAOYSA-N 0 3 383.279 2.197 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000932144549 654768183 /nfs/dbraw/zinc/76/81/83/654768183.db2.gz UHRUCDHJXJGOTF-UHFFFAOYSA-N 0 3 378.274 2.262 20 30 GEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436742 654812981 /nfs/dbraw/zinc/81/29/81/654812981.db2.gz HCBLAVCYCGQPBP-KDOFPFPSSA-N 0 3 396.329 2.340 20 30 GEEDHN CNC(=O)CN1CCCC12CCN(c1ncccc1C#C[Si](C)(C)C)CC2 ZINC001164686794 719728652 /nfs/dbraw/zinc/72/86/52/719728652.db2.gz SWLJFBXJUFSTDI-UHFFFAOYSA-N 0 3 384.600 2.491 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000173271781 532000889 /nfs/dbraw/zinc/00/08/89/532000889.db2.gz XIXUQOPYCVSUNO-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN CCN(CC)CC(=O)N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000134793413 532263101 /nfs/dbraw/zinc/26/31/01/532263101.db2.gz QRPAHXCJBLLLQC-UHFFFAOYSA-N 0 3 379.302 2.311 20 30 GEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183910335 532330016 /nfs/dbraw/zinc/33/00/16/532330016.db2.gz BBIGPDLBWYBMCN-WMZOPIPTSA-N 0 3 391.265 2.384 20 30 GEEDHN CN(C)CCn1cc(NC(=O)COc2cccc(Br)c2C#N)cn1 ZINC000590665270 532381238 /nfs/dbraw/zinc/38/12/38/532381238.db2.gz XYGQZAIQTPWZQL-UHFFFAOYSA-N 0 3 392.257 2.096 20 30 GEEDHN N#Cc1ccc(OCC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1Br ZINC000590666699 532381412 /nfs/dbraw/zinc/38/14/12/532381412.db2.gz OOZNTODSKUYLQN-CQSZACIVSA-N 0 3 378.270 2.300 20 30 GEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955948 532392012 /nfs/dbraw/zinc/39/20/12/532392012.db2.gz YTPUIDABLJTDKM-NHYWBVRUSA-N 0 3 393.285 2.058 20 30 GEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425741853 532392684 /nfs/dbraw/zinc/39/26/84/532392684.db2.gz NXAZHDWQGNKWPG-UHFFFAOYSA-N 0 3 395.301 2.416 20 30 GEEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295019683 532397618 /nfs/dbraw/zinc/39/76/18/532397618.db2.gz ZAHPYNBWDRUIPG-AWEZNQCLSA-N 0 3 393.329 2.324 20 30 GEEDHN C[C@H]1CCN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592767973 532461408 /nfs/dbraw/zinc/46/14/08/532461408.db2.gz CHVQRKDAIVMKHV-ZDUSSCGKSA-N 0 3 391.313 2.215 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3CCC2CC3)C1 ZINC000592792917 532465919 /nfs/dbraw/zinc/46/59/19/532465919.db2.gz HDYCPBHLHKVQBM-UHFFFAOYSA-N 0 3 389.297 2.064 20 30 GEEDHN CCN1CCN([C@H](C)CNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593465368 532484406 /nfs/dbraw/zinc/48/44/06/532484406.db2.gz QTZPNGRIFCTOIM-CQSZACIVSA-N 0 3 393.329 2.005 20 30 GEEDHN CSC[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000246012398 532529466 /nfs/dbraw/zinc/52/94/66/532529466.db2.gz YTYMQMMLPNPMRX-JKSUJKDBSA-N 0 3 378.567 2.284 20 30 GEEDHN C=CCOc1c(Br)cc(CN2CCN3C[C@H](O)C[C@H]3C2)cc1OC ZINC000656272949 532611498 /nfs/dbraw/zinc/61/14/98/532611498.db2.gz LFVNMYZVCIIIEL-LSDHHAIUSA-N 0 3 397.313 2.273 20 30 GEEDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697723 532624847 /nfs/dbraw/zinc/62/48/47/532624847.db2.gz ZKWWVRCWISADPT-IRXDYDNUSA-N 0 3 392.297 2.185 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(Br)cn1 ZINC000298916026 532684271 /nfs/dbraw/zinc/68/42/71/532684271.db2.gz AXQMSAAOVCLROE-UHFFFAOYSA-N 0 3 390.285 2.108 20 30 GEEDHN N#CC1(C[C@H](O)CNCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000600724574 532679893 /nfs/dbraw/zinc/67/98/93/532679893.db2.gz BHKXTCXKNAHXJQ-INIZCTEOSA-N 0 3 394.313 2.430 20 30 GEEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000286813359 532769825 /nfs/dbraw/zinc/76/98/25/532769825.db2.gz IJGMEFNEZORUGH-GFCCVEGCSA-N 0 3 386.315 2.283 20 30 GEEDHN CN(CCn1cc(Br)cn1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000588986975 532772895 /nfs/dbraw/zinc/77/28/95/532772895.db2.gz SGUPTMADOTZLFC-MRXNPFEDSA-N 0 3 393.285 2.083 20 30 GEEDHN C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C1=CCN(C)CC1 ZINC000329360053 532806162 /nfs/dbraw/zinc/80/61/62/532806162.db2.gz XUCNPLQAMQOROL-ZDUSSCGKSA-N 0 3 383.539 2.488 20 30 GEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000329810021 532812140 /nfs/dbraw/zinc/81/21/40/532812140.db2.gz MIDPTIYFCQZUGS-CQSZACIVSA-N 0 3 377.501 2.212 20 30 GEEDHN CN(C)[C@]1(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CCSC1 ZINC000331106180 532833177 /nfs/dbraw/zinc/83/31/77/532833177.db2.gz QWRCXZCPSYSLCT-HNNXBMFYSA-N 0 3 391.946 2.453 20 30 GEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](N)CCC(=O)OC ZINC000288757204 532837597 /nfs/dbraw/zinc/83/75/97/532837597.db2.gz NVTCKVDOCXRYMH-CQSZACIVSA-N 0 3 387.249 2.383 20 30 GEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000331454951 532840208 /nfs/dbraw/zinc/84/02/08/532840208.db2.gz ZXGSWWFUZZBOLV-GJZGRUSLSA-N 0 3 383.901 2.085 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000415424801 532844728 /nfs/dbraw/zinc/84/47/28/532844728.db2.gz IVDJSYKDJRTQCM-ZDUSSCGKSA-N 0 3 398.301 2.442 20 30 GEEDHN [NH3+]CC[C@@H]([N-]C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000415839737 532859883 /nfs/dbraw/zinc/85/98/83/532859883.db2.gz OSHITKGEOMOZDB-SECBINFHSA-N 0 3 375.244 2.179 20 30 GEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821584449 607201784 /nfs/dbraw/zinc/20/17/84/607201784.db2.gz DTUPUGHBDQXHLM-UHFFFAOYSA-N 0 3 376.852 2.219 20 30 GEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821584449 607201785 /nfs/dbraw/zinc/20/17/85/607201785.db2.gz DTUPUGHBDQXHLM-UHFFFAOYSA-N 0 3 376.852 2.219 20 30 GEEDHN COc1cc(C#N)ccc1OCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826177002 608533779 /nfs/dbraw/zinc/53/37/79/608533779.db2.gz NLOXCYKUIRNCFP-UHFFFAOYSA-N 0 3 376.420 2.405 20 30 GEEDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448975670 650027847 /nfs/dbraw/zinc/02/78/47/650027847.db2.gz INMDJINMNHUABB-CQSZACIVSA-N 0 3 393.329 2.324 20 30 GEEDHN CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCN(C2CC2)C1 ZINC000449864509 650054321 /nfs/dbraw/zinc/05/43/21/650054321.db2.gz OUBSJZPXIJVZEA-CQSZACIVSA-N 0 3 378.270 2.395 20 30 GEEDHN CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCN(C2CC2)C1 ZINC000449864508 650054378 /nfs/dbraw/zinc/05/43/78/650054378.db2.gz OUBSJZPXIJVZEA-AWEZNQCLSA-N 0 3 378.270 2.395 20 30 GEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108390 650060191 /nfs/dbraw/zinc/06/01/91/650060191.db2.gz VIRCFYQEIWYJCJ-IAQYHMDHSA-N 0 3 378.270 2.298 20 30 GEEDHN CN1CC[C@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000450481534 650065761 /nfs/dbraw/zinc/06/57/61/650065761.db2.gz BAZVDTGZCGLXSK-BLLLJJGKSA-N 0 3 378.270 2.252 20 30 GEEDHN C=C(C)CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000460063121 650438857 /nfs/dbraw/zinc/43/88/57/650438857.db2.gz WFPXBRQKLGNQTA-UHFFFAOYSA-N 0 3 396.329 2.374 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1 ZINC000124180397 643682433 /nfs/dbraw/zinc/68/24/33/643682433.db2.gz BEJKPXJCPZDGQY-AWEZNQCLSA-N 0 3 383.242 2.080 20 30 GEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716314 646542666 /nfs/dbraw/zinc/54/26/66/646542666.db2.gz IGWBFDKHZCPLOG-CZUORRHYSA-N 0 3 398.326 2.426 20 30 GEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)C1 ZINC000292874302 647210958 /nfs/dbraw/zinc/21/09/58/647210958.db2.gz SRNKZJDNXSRIHD-INIZCTEOSA-N 0 3 398.326 2.427 20 30 GEEDHN CN1CCN(CCC(C)(C)NC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000329999578 647327821 /nfs/dbraw/zinc/32/78/21/647327821.db2.gz UYKUPUGNNJEDPB-UHFFFAOYSA-N 0 3 385.306 2.270 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000424081543 648611446 /nfs/dbraw/zinc/61/14/46/648611446.db2.gz VJMVPXGJPYHDCO-CQSZACIVSA-N 0 3 384.889 2.084 20 30 GEEDHN CCS(=O)(=O)C[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733197803 651693176 /nfs/dbraw/zinc/69/31/76/651693176.db2.gz SHLORTYFHASISQ-QWHCGFSZSA-N 0 3 379.507 2.228 20 30 GEEDHN N#Cc1c(Br)cccc1NCCCCN1CCN(CCO)CC1 ZINC000581104180 652401851 /nfs/dbraw/zinc/40/18/51/652401851.db2.gz KVHSJLCEIVAFPN-UHFFFAOYSA-N 0 3 381.318 2.123 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202489 652476824 /nfs/dbraw/zinc/47/68/24/652476824.db2.gz UCLNXTUNNKJMQW-XJKSGUPXSA-N 0 3 379.302 2.413 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000760571374 652614929 /nfs/dbraw/zinc/61/49/29/652614929.db2.gz BLFBKGSRDKEOMF-INIZCTEOSA-N 0 3 393.325 2.062 20 30 GEEDHN COC1CCN(CCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593508462 652623302 /nfs/dbraw/zinc/62/33/02/652623302.db2.gz FWQXFOZJPPDGBR-UHFFFAOYSA-N 0 3 380.286 2.090 20 30 GEEDHN COC(=O)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594430984 652648660 /nfs/dbraw/zinc/64/86/60/652648660.db2.gz FDRPKXARAMRWGL-UONOGXRCSA-N 0 3 382.258 2.191 20 30 GEEDHN N#Cc1cc(F)c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1Br ZINC000594566125 652665581 /nfs/dbraw/zinc/66/55/81/652665581.db2.gz DHSNVUVQFPFGCV-HNNXBMFYSA-N 0 3 395.276 2.378 20 30 GEEDHN N#CCCC[C@H](N)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595258877 652711876 /nfs/dbraw/zinc/71/18/76/652711876.db2.gz FSWJXDSOMVUKRA-VIFPVBQESA-N 0 3 383.193 2.127 20 30 GEEDHN COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](N)CCCC#N)C2 ZINC000595991656 652745922 /nfs/dbraw/zinc/74/59/22/652745922.db2.gz FTUBNSYNACFWCF-SECBINFHSA-N 0 3 386.271 2.161 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C)c(Br)c2)CC1 ZINC000636675850 652815631 /nfs/dbraw/zinc/81/56/31/652815631.db2.gz BOWKQDJBWVADLX-UHFFFAOYSA-N 0 3 394.313 2.140 20 30 GEEDHN CC(C)(C#N)C[C@H](O)C[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000598726745 652831682 /nfs/dbraw/zinc/83/16/82/652831682.db2.gz AFEYGYGBCPTQMW-NSHDSACASA-N 0 3 394.324 2.162 20 30 GEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000598724057 652831739 /nfs/dbraw/zinc/83/17/39/652831739.db2.gz LTQHQDLMEYNCKI-LBPRGKRZSA-N 0 3 378.416 2.499 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000836489409 653356010 /nfs/dbraw/zinc/35/60/10/653356010.db2.gz ZRUCQITZUMWXIT-KRWDZBQOSA-N 0 3 394.313 2.487 20 30 GEEDHN C#CC[C@H](COC)NCc1cc(I)c(OC)c(OC)c1 ZINC000858336010 653360537 /nfs/dbraw/zinc/36/05/37/653360537.db2.gz RONPEEREOUUTHG-GFCCVEGCSA-N 0 3 389.233 2.436 20 30 GEEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000778179629 653434110 /nfs/dbraw/zinc/43/41/10/653434110.db2.gz XRJXKZHTNQVMBL-KSSFIOAISA-N 0 3 383.897 2.178 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558414 653435712 /nfs/dbraw/zinc/43/57/12/653435712.db2.gz MLJHBKJRYFGGRL-BBRMVZONSA-N 0 3 387.933 2.364 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608494 653437593 /nfs/dbraw/zinc/43/75/93/653437593.db2.gz BEDQTDMZUWMXCY-TZMCWYRMSA-N 0 3 380.794 2.373 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629185 653438686 /nfs/dbraw/zinc/43/86/86/653438686.db2.gz DBNMSWRSYLENOY-NEPJUHHUSA-N 0 3 375.650 2.249 20 30 GEEDHN CO[C@H]1CN(C)[C@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350909 653655305 /nfs/dbraw/zinc/65/53/05/653655305.db2.gz AXXWGKHRWQMNAA-PXAZEXFGSA-N 0 3 397.269 2.352 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncc(Br)cn1 ZINC000786997364 653732847 /nfs/dbraw/zinc/73/28/47/653732847.db2.gz WQOVQPSADPTDIW-UHFFFAOYSA-N 0 3 388.269 2.315 20 30 GEEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000818588748 653734026 /nfs/dbraw/zinc/73/40/26/653734026.db2.gz FRPBNMZQAHMYIO-UHFFFAOYSA-N 0 3 396.272 2.394 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000818599425 653734504 /nfs/dbraw/zinc/73/45/04/653734504.db2.gz QIZOEASUMZTCCR-GOSISDBHSA-N 0 3 377.897 2.340 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000818606252 653734645 /nfs/dbraw/zinc/73/46/45/653734645.db2.gz HISTYHWHKDKVAO-AWEZNQCLSA-N 0 3 382.291 2.418 20 30 GEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883084473 653825587 /nfs/dbraw/zinc/82/55/87/653825587.db2.gz SCLHFNXFCCCPJC-LBPRGKRZSA-N 0 3 396.289 2.290 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)C1CCN(C)CC1 ZINC000886572248 653992174 /nfs/dbraw/zinc/99/21/74/653992174.db2.gz DQKZFFUIWHWGMS-UHFFFAOYSA-N 0 3 392.297 2.115 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1C(C)=O ZINC000796799020 654008335 /nfs/dbraw/zinc/00/83/35/654008335.db2.gz PCGKKWYCCZRYJE-ZDUSSCGKSA-N 0 3 379.210 2.042 20 30 GEEDHN COC(=O)[C@@H]1CSCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000887075362 654019527 /nfs/dbraw/zinc/01/95/27/654019527.db2.gz CVEGCFHNNHMXAG-AAEUAGOBSA-N 0 3 375.475 2.063 20 30 GEEDHN CN(C)CCn1nccc1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000900701630 654077097 /nfs/dbraw/zinc/07/70/97/654077097.db2.gz ZITUMURYWPHIPP-AWEZNQCLSA-N 0 3 376.258 2.202 20 30 GEEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cnc(C#N)n1 ZINC000798815599 654077179 /nfs/dbraw/zinc/07/71/79/654077179.db2.gz ASRMKYOTNKZAJL-PRHODGIISA-N 0 3 377.191 2.365 20 30 GEEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 ZINC000798815838 654077264 /nfs/dbraw/zinc/07/72/64/654077264.db2.gz DORRNHYTJUJXON-WCBMZHEXSA-N 0 3 377.191 2.365 20 30 GEEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 ZINC000798815839 654077431 /nfs/dbraw/zinc/07/74/31/654077431.db2.gz DORRNHYTJUJXON-WPRPVWTQSA-N 0 3 377.191 2.365 20 30 GEEDHN C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000888416292 654082398 /nfs/dbraw/zinc/08/23/98/654082398.db2.gz ZQRKSELNAKJLFS-NEPJUHHUSA-N 0 3 382.921 2.158 20 30 GEEDHN C[C@@H](C#N)OCCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000801930309 654212636 /nfs/dbraw/zinc/21/26/36/654212636.db2.gz MLAQZLSYRZZTBZ-LBPRGKRZSA-N 0 3 381.274 2.423 20 30 GEEDHN N#CC(C(=O)COCCc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000892457679 654347044 /nfs/dbraw/zinc/34/70/44/654347044.db2.gz LQIVMPWQGGTMEB-OAHLLOKOSA-N 0 3 379.254 2.339 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1cccc(F)c1Br ZINC000835058050 654360067 /nfs/dbraw/zinc/36/00/67/654360067.db2.gz WZNYXFPORJPHJJ-LBPRGKRZSA-N 0 3 385.233 2.382 20 30 GEEDHN C[C@]1(NC(=O)COc2cccc(Br)c2C#N)CN2CCC1CC2 ZINC000892765471 654363421 /nfs/dbraw/zinc/36/34/21/654363421.db2.gz DAUHSWILEJLPLT-KRWDZBQOSA-N 0 3 378.270 2.300 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000922632119 654404959 /nfs/dbraw/zinc/40/49/59/654404959.db2.gz YYCCREBKLKZCOP-HNNXBMFYSA-N 0 3 394.317 2.431 20 30 GEEDHN N#Cc1c(F)cccc1CNCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000873051864 654411971 /nfs/dbraw/zinc/41/19/71/654411971.db2.gz PDRUFMOOQJWATO-UHFFFAOYSA-N 0 3 379.379 2.349 20 30 GEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1Br ZINC000931380475 654740367 /nfs/dbraw/zinc/74/03/67/654740367.db2.gz PSBDOOFXXNKLPL-CVEARBPZSA-N 0 3 393.285 2.384 20 30 GEEDHN Cc1ccc(CC#N)c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164893820 721439122 /nfs/dbraw/zinc/43/91/22/721439122.db2.gz KSZIIAHQFHDRMC-IRLDBZIGSA-N 0 3 383.540 2.222 20 30 GEEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909229 721563550 /nfs/dbraw/zinc/56/35/50/721563550.db2.gz TUWHTAIBYFEVHQ-WMZOPIPTSA-N 0 3 396.422 2.221 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000173276493 532001661 /nfs/dbraw/zinc/00/16/61/532001661.db2.gz SQHWHIBESDITEV-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN CN(C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736538 532075952 /nfs/dbraw/zinc/07/59/52/532075952.db2.gz UYQSVMIQSSCXSP-DOMZBBRYSA-N 0 3 383.279 2.084 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000558097938 532384839 /nfs/dbraw/zinc/38/48/39/532384839.db2.gz JTQYZVUYLFATPS-QGZVFWFLSA-N 0 3 391.313 2.059 20 30 GEEDHN C=CCN(C)CCN(CC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560706347 532421353 /nfs/dbraw/zinc/42/13/53/532421353.db2.gz ZOOGMQGUUQDKGA-UHFFFAOYSA-N 0 3 379.302 2.397 20 30 GEEDHN N#Cc1c(F)ccc(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1Cl ZINC000372980542 532421996 /nfs/dbraw/zinc/42/19/96/532421996.db2.gz JVOSAXWUKYHINX-AWEZNQCLSA-N 0 3 385.892 2.092 20 30 GEEDHN CN1CCN(CC2CCN(c3ncc(Br)cc3C#N)CC2)CC1 ZINC000295459837 532448738 /nfs/dbraw/zinc/44/87/38/532448738.db2.gz HRNAOAJYAVWFMN-UHFFFAOYSA-N 0 3 378.318 2.180 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000592753264 532458915 /nfs/dbraw/zinc/45/89/15/532458915.db2.gz MFHLIFHPPMGNNR-HNNXBMFYSA-N 0 3 389.297 2.110 20 30 GEEDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295630326 532464827 /nfs/dbraw/zinc/46/48/27/532464827.db2.gz FWJLBMMIVJUNOR-SNVBAGLBSA-N 0 3 390.278 2.032 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000562765321 532482229 /nfs/dbraw/zinc/48/22/29/532482229.db2.gz KABLHPBXDHFBSQ-CYBMUJFWSA-N 0 3 383.290 2.121 20 30 GEEDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)C1 ZINC000595195072 532549109 /nfs/dbraw/zinc/54/91/09/532549109.db2.gz YJSLQJQJTRYIHH-LBPRGKRZSA-N 0 3 393.285 2.168 20 30 GEEDHN C=CCN(CCC(=O)N1CCNCC1)Cc1cc(Br)ccc1F ZINC000262160334 532587066 /nfs/dbraw/zinc/58/70/66/532587066.db2.gz PUOJIXMILZJRCS-UHFFFAOYSA-N 0 3 384.293 2.398 20 30 GEEDHN N#Cc1cc(Br)ccc1NCCCCN1CCN(CCO)CC1 ZINC000541191605 532750012 /nfs/dbraw/zinc/75/00/12/532750012.db2.gz GHTQMCOKKPHKGZ-UHFFFAOYSA-N 0 3 381.318 2.123 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000286795161 532768864 /nfs/dbraw/zinc/76/88/64/532768864.db2.gz YIYLSXOIGJSCNS-NSHDSACASA-N 0 3 384.299 2.083 20 30 GEEDHN N#Cc1ccc(CNCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000269428656 532781814 /nfs/dbraw/zinc/78/18/14/532781814.db2.gz OOEURGVCLOOIME-UHFFFAOYSA-N 0 3 379.379 2.349 20 30 GEEDHN C=CCS(=O)(=O)CCN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000272818057 532818347 /nfs/dbraw/zinc/81/83/47/532818347.db2.gz FFYUODWWQCFQJW-GFCCVEGCSA-N 0 3 389.315 2.357 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@@H]21 ZINC000288270607 532822998 /nfs/dbraw/zinc/82/29/98/532822998.db2.gz UOYSXNBGEPLPDM-WFASDCNBSA-N 0 3 398.326 2.426 20 30 GEEDHN C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677139 532824974 /nfs/dbraw/zinc/82/49/74/532824974.db2.gz UXAONPWNDBIAOL-NEPJUHHUSA-N 0 3 386.315 2.472 20 30 GEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288368652 532825692 /nfs/dbraw/zinc/82/56/92/532825692.db2.gz YYDCUKJHTFMECX-FZMZJTMJSA-N 0 3 386.315 2.281 20 30 GEEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000331176611 532835071 /nfs/dbraw/zinc/83/50/71/532835071.db2.gz FMIKVVVLFSDUOY-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN CN1CC[C@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000333144525 532864875 /nfs/dbraw/zinc/86/48/75/532864875.db2.gz ZLUFIJILQWFHOB-KRWDZBQOSA-N 0 3 378.270 2.254 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000364208378 532904634 /nfs/dbraw/zinc/90/46/34/532904634.db2.gz RPTDMYISLPUHED-INIZCTEOSA-N 0 3 390.325 2.489 20 30 GEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)C1 ZINC000291833410 532909288 /nfs/dbraw/zinc/90/92/88/532909288.db2.gz GFCLSHLYIHKDPK-OAHLLOKOSA-N 0 3 384.299 2.037 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000367682834 532926518 /nfs/dbraw/zinc/92/65/18/532926518.db2.gz BXUVECXEKRRJHL-ZBFHGGJFSA-N 0 3 379.844 2.466 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000293477746 532927516 /nfs/dbraw/zinc/92/75/16/532927516.db2.gz VILHGERNCQURLP-UHFFFAOYSA-N 0 3 375.778 2.369 20 30 GEEDHN C#CC[N@H+](CC)CCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccco1 ZINC000819701373 606433809 /nfs/dbraw/zinc/43/38/09/606433809.db2.gz DZLDUIJPJOJXBK-UHFFFAOYSA-N 0 3 395.467 2.210 20 30 GEEDHN C#CC[N@@H+](CC)CCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccco1 ZINC000819701373 606433810 /nfs/dbraw/zinc/43/38/10/606433810.db2.gz DZLDUIJPJOJXBK-UHFFFAOYSA-N 0 3 395.467 2.210 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000819743514 606986597 /nfs/dbraw/zinc/98/65/97/606986597.db2.gz KUGKBZGKHOVOQY-SFHVURJKSA-N 0 3 383.500 2.439 20 30 GEEDHN CCOCCC[N@@H+]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H](C)C1 ZINC000825594213 608535909 /nfs/dbraw/zinc/53/59/09/608535909.db2.gz JEKOTVHINREJPO-LBPRGKRZSA-N 0 3 392.895 2.451 20 30 GEEDHN CCOCCC[N@H+]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H](C)C1 ZINC000825594213 608535911 /nfs/dbraw/zinc/53/59/11/608535911.db2.gz JEKOTVHINREJPO-LBPRGKRZSA-N 0 3 392.895 2.451 20 30 GEEDHN CCOCCC[N@@H+]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H](C)C1 ZINC000825594213 608535913 /nfs/dbraw/zinc/53/59/13/608535913.db2.gz JEKOTVHINREJPO-LBPRGKRZSA-N 0 3 392.895 2.451 20 30 GEEDHN CCOCCC[N@H+]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H](C)C1 ZINC000825594213 608535915 /nfs/dbraw/zinc/53/59/15/608535915.db2.gz JEKOTVHINREJPO-LBPRGKRZSA-N 0 3 392.895 2.451 20 30 GEEDHN CN1CC[C@@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@H]2C1 ZINC000450487962 650066042 /nfs/dbraw/zinc/06/60/42/650066042.db2.gz NVZBVNGBYYFWOH-DOMZBBRYSA-N 0 3 378.270 2.252 20 30 GEEDHN COc1ccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000130672347 643848118 /nfs/dbraw/zinc/84/81/18/643848118.db2.gz FWNBRQPAUHJJSZ-UHFFFAOYSA-N 0 3 388.902 2.115 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173938629 644364111 /nfs/dbraw/zinc/36/41/11/644364111.db2.gz DDZHDAWSPNFIJZ-SMDDNHRTSA-N 0 3 383.242 2.078 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173938657 644364273 /nfs/dbraw/zinc/36/42/73/644364273.db2.gz DDZHDAWSPNFIJZ-FZMZJTMJSA-N 0 3 383.242 2.078 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173933518 644364526 /nfs/dbraw/zinc/36/45/26/644364526.db2.gz UQJCESMTINNQNN-DOMZBBRYSA-N 0 3 397.269 2.468 20 30 GEEDHN CCN1CCN(CCC(=O)N[C@H](C#N)c2cccc(Br)c2)CC1 ZINC000174432918 644373838 /nfs/dbraw/zinc/37/38/38/644373838.db2.gz AGNBBTQFVVRDED-MRXNPFEDSA-N 0 3 379.302 2.158 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000250525664 645564003 /nfs/dbraw/zinc/56/40/03/645564003.db2.gz QHITWEYTUQIINU-RRFJBIMHSA-N 0 3 379.254 2.414 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277410649 646415710 /nfs/dbraw/zinc/41/57/10/646415710.db2.gz TWDIIXSGMNZDGL-HNNXBMFYSA-N 0 3 393.325 2.062 20 30 GEEDHN CN1CCN(CCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C ZINC000287378201 646886065 /nfs/dbraw/zinc/88/60/65/646886065.db2.gz ZUWFETCYTPXJGL-UHFFFAOYSA-N 0 3 394.317 2.468 20 30 GEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cncc(C#N)c1 ZINC000289385339 646932063 /nfs/dbraw/zinc/93/20/63/646932063.db2.gz CUVSTUZMXCOLHU-UHFFFAOYSA-N 0 3 378.420 2.238 20 30 GEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)C1 ZINC000292874306 647210814 /nfs/dbraw/zinc/21/08/14/647210814.db2.gz SRNKZJDNXSRIHD-MRXNPFEDSA-N 0 3 398.326 2.427 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1N1CCCC1 ZINC000333230358 647466542 /nfs/dbraw/zinc/46/65/42/647466542.db2.gz UKMONJQZNWQJSB-DLBZAZTESA-N 0 3 383.514 2.039 20 30 GEEDHN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000424079590 648610863 /nfs/dbraw/zinc/61/08/63/648610863.db2.gz RITPWRCSMZYUKG-AWEZNQCLSA-N 0 3 386.905 2.330 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000424186088 648615867 /nfs/dbraw/zinc/61/58/67/648615867.db2.gz HQFNHBYSHRUNAC-GFCCVEGCSA-N 0 3 378.230 2.136 20 30 GEEDHN COc1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cn2)c(Cl)c1 ZINC000576696761 652137914 /nfs/dbraw/zinc/13/79/14/652137914.db2.gz QDIRIOIQNZWSBS-UHFFFAOYSA-N 0 3 379.869 2.221 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc(Br)cc2)nc1 ZINC000577842309 652221067 /nfs/dbraw/zinc/22/10/67/652221067.db2.gz QWJWTOOWAGFTOX-UHFFFAOYSA-N 0 3 394.294 2.322 20 30 GEEDHN CN1CCN(CCCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000579796778 652354670 /nfs/dbraw/zinc/35/46/70/652354670.db2.gz PCMBCWMHVOYHCK-UHFFFAOYSA-N 0 3 379.302 2.078 20 30 GEEDHN C=CCN1CC[C@@H](N[C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796936 652371960 /nfs/dbraw/zinc/37/19/60/652371960.db2.gz NZAKJOPFOLULEO-SJLPKXTDSA-N 0 3 379.298 2.045 20 30 GEEDHN C=CCN1CCC(Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631109611 652520598 /nfs/dbraw/zinc/52/05/98/652520598.db2.gz SGRBVGYVWCTGOC-UHFFFAOYSA-N 0 3 379.404 2.295 20 30 GEEDHN Brc1cncc(N=NC2CCN(CCN3CCOCC3)CC2)c1 ZINC000758123682 652531199 /nfs/dbraw/zinc/53/11/99/652531199.db2.gz TWJHYTNVFPCXGV-UHFFFAOYSA-N 0 3 382.306 2.040 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000760571376 652615051 /nfs/dbraw/zinc/61/50/51/652615051.db2.gz BLFBKGSRDKEOMF-MRXNPFEDSA-N 0 3 393.325 2.062 20 30 GEEDHN COC(=O)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1Br ZINC000595255959 652710626 /nfs/dbraw/zinc/71/06/26/652710626.db2.gz HHODRERUNBMWSP-KBPBESRZSA-N 0 3 382.258 2.191 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031393 653461899 /nfs/dbraw/zinc/46/18/99/653461899.db2.gz VUBVQIVZMSLKRX-QWHCGFSZSA-N 0 3 386.677 2.141 20 30 GEEDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350915 653655276 /nfs/dbraw/zinc/65/52/76/653655276.db2.gz AXXWGKHRWQMNAA-SJCJKPOMSA-N 0 3 397.269 2.352 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000818595702 653734476 /nfs/dbraw/zinc/73/44/76/653734476.db2.gz KKLPWYRUEQPBOI-UHFFFAOYSA-N 0 3 380.286 2.318 20 30 GEEDHN C=CCN1CCC(NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865193909 653756738 /nfs/dbraw/zinc/75/67/38/653756738.db2.gz PJUNDFIYTUCEAK-KRWDZBQOSA-N 0 3 394.313 2.393 20 30 GEEDHN N#Cc1cccc(Br)c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000865631772 653770552 /nfs/dbraw/zinc/77/05/52/653770552.db2.gz IMIRAIYYPUODKC-HNNXBMFYSA-N 0 3 377.286 2.239 20 30 GEEDHN COc1ccc(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Br ZINC000884118538 653864637 /nfs/dbraw/zinc/86/46/37/653864637.db2.gz JFTDLJJENJETTM-JZLYGMAVSA-N 0 3 378.270 2.213 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000884130915 653865269 /nfs/dbraw/zinc/86/52/69/653865269.db2.gz VZYSIZDYOIIVQO-UIORMTCPSA-N 0 3 380.261 2.386 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)C1CCN(C)CC1 ZINC000886582562 653992450 /nfs/dbraw/zinc/99/24/50/653992450.db2.gz ZVFBWTBIHZAQRL-UHFFFAOYSA-N 0 3 393.281 2.390 20 30 GEEDHN CC(=O)c1cc(Br)ccc1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000796770191 654007968 /nfs/dbraw/zinc/00/79/68/654007968.db2.gz AUNWZGUWLPDUPG-AWEZNQCLSA-N 0 3 393.237 2.362 20 30 GEEDHN N#C[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccccc1Br ZINC000900701258 654077165 /nfs/dbraw/zinc/07/71/65/654077165.db2.gz WJXZVBQSDQXVNY-INIZCTEOSA-N 0 3 378.270 2.241 20 30 GEEDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000918243220 654146199 /nfs/dbraw/zinc/14/61/99/654146199.db2.gz JAQVZLTYVYYHQD-HYVNUMGLSA-N 0 3 383.539 2.023 20 30 GEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979815 654495344 /nfs/dbraw/zinc/49/53/44/654495344.db2.gz CBZBQDVDDPVXCV-NHYWBVRUSA-N 0 3 386.315 2.281 20 30 GEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907029728 654501781 /nfs/dbraw/zinc/50/17/81/654501781.db2.gz QTNCMIAEJFYFBD-UHFFFAOYSA-N 0 3 378.420 2.238 20 30 GEEDHN CCN(CCC#N)S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000907347885 654534485 /nfs/dbraw/zinc/53/44/85/654534485.db2.gz VVVINKRJUKQDMM-MRXNPFEDSA-N 0 3 384.571 2.291 20 30 GEEDHN C#CCN(C)CCCN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O ZINC000925313087 654540992 /nfs/dbraw/zinc/54/09/92/654540992.db2.gz LMCIEGNXFNJMGP-OAHLLOKOSA-N 0 3 394.269 2.006 20 30 GEEDHN N#Cc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1Br ZINC000931380481 654740420 /nfs/dbraw/zinc/74/04/20/654740420.db2.gz PSBDOOFXXNKLPL-HOTGVXAUSA-N 0 3 393.285 2.384 20 30 GEEDHN CCN(CCC#N)C(=O)CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437517 654813141 /nfs/dbraw/zinc/81/31/41/654813141.db2.gz OHAFREKEGMDORO-QGZVFWFLSA-N 0 3 382.302 2.094 20 30 GEEDHN C[C@](CO)(Cc1ccc(Br)cc1)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000933437565 654813237 /nfs/dbraw/zinc/81/32/37/654813237.db2.gz PFUNFMDVFDEBPR-QZTJIDSGSA-N 0 3 394.313 2.141 20 30 GEEDHN C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)CN1CCCC1 ZINC000155136837 531660533 /nfs/dbraw/zinc/66/05/33/531660533.db2.gz OMKJKHLHPHCMJF-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN C=CCN1CCC(NC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000171726377 531913402 /nfs/dbraw/zinc/91/34/02/531913402.db2.gz VYIZOULLIJBUNT-UHFFFAOYSA-N 0 3 394.313 2.336 20 30 GEEDHN CCN1CCC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592747743 532458770 /nfs/dbraw/zinc/45/87/70/532458770.db2.gz LSCFCEKLQFIQBI-MRXNPFEDSA-N 0 3 391.313 2.357 20 30 GEEDHN CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CCN(C)CC1 ZINC000592744215 532459313 /nfs/dbraw/zinc/45/93/13/532459313.db2.gz NVTZTHNPQQFTLH-UHFFFAOYSA-N 0 3 391.313 2.310 20 30 GEEDHN CCN(CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 ZINC000592756522 532460467 /nfs/dbraw/zinc/46/04/67/532460467.db2.gz FDPUKSOLIZYSNV-UHFFFAOYSA-N 0 3 391.313 2.357 20 30 GEEDHN Cc1c(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc(Br)c1C#N ZINC000563620593 532506322 /nfs/dbraw/zinc/50/63/22/532506322.db2.gz ZAAVTIIRSVCKMQ-NSHDSACASA-N 0 3 393.285 2.026 20 30 GEEDHN Cc1nn(-c2cccc(Br)c2)cc1CNCCn1cnc(C#N)n1 ZINC000594506436 532512648 /nfs/dbraw/zinc/51/26/48/532512648.db2.gz RDZVUUHFFGSYOT-UHFFFAOYSA-N 0 3 386.257 2.196 20 30 GEEDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000595088748 532544110 /nfs/dbraw/zinc/54/41/10/532544110.db2.gz CDFXQQYIBSUBLH-ZDUSSCGKSA-N 0 3 393.285 2.248 20 30 GEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000283517714 532544404 /nfs/dbraw/zinc/54/44/04/532544404.db2.gz FBSWQPYMZYRALT-MRXNPFEDSA-N 0 3 382.302 2.432 20 30 GEEDHN CS[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1N1CCCC1 ZINC000299439711 532716959 /nfs/dbraw/zinc/71/69/59/532716959.db2.gz VTMXIVOKJDRUBK-BZUAXINKSA-N 0 3 376.551 2.237 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000302055153 532765739 /nfs/dbraw/zinc/76/57/39/532765739.db2.gz AMSWDORGDXLEIN-MRXNPFEDSA-N 0 3 377.286 2.239 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@H]2CNCCN2C)cc1OCC ZINC000414964758 532836150 /nfs/dbraw/zinc/83/61/50/532836150.db2.gz MTZKDTGWEYSKAY-OAHLLOKOSA-N 0 3 398.345 2.406 20 30 GEEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416394747 532875517 /nfs/dbraw/zinc/87/55/17/532875517.db2.gz XKIOWSZVFALNGC-UHFFFAOYSA-N 0 3 386.315 2.283 20 30 GEEDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000290345453 532878416 /nfs/dbraw/zinc/87/84/16/532878416.db2.gz NKRFHXHDUXDDLH-LLVKDONJSA-N 0 3 381.274 2.104 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nn(C)cc1Br ZINC000292649498 532917295 /nfs/dbraw/zinc/91/72/95/532917295.db2.gz NJLVSROJFLVEHE-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN N#CCCOCCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000292757018 532918041 /nfs/dbraw/zinc/91/80/41/532918041.db2.gz IPARGPCJHBLEFT-ZDUSSCGKSA-N 0 3 381.274 2.425 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nn(C)cc1Br ZINC000293412886 532926507 /nfs/dbraw/zinc/92/65/07/532926507.db2.gz SELJWXYCHJPJQD-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000293493288 532927832 /nfs/dbraw/zinc/92/78/32/532927832.db2.gz WPPQWWDBQXIXIL-UHFFFAOYSA-N 0 3 375.778 2.369 20 30 GEEDHN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821585943 606537972 /nfs/dbraw/zinc/53/79/72/606537972.db2.gz BZJXDZLFFBXHSM-UHFFFAOYSA-N 0 3 381.465 2.004 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C#N)cc1Cl ZINC000821586156 607114112 /nfs/dbraw/zinc/11/41/12/607114112.db2.gz LZDZKWXEPVIZKI-UHFFFAOYSA-N 0 3 382.859 2.355 20 30 GEEDHN CN1CCN(c2ccc(C=[NH+][N-]c3cc(-c4nn[nH]n4)cc(Cl)n3)cc2)CC1 ZINC000826038709 608218158 /nfs/dbraw/zinc/21/81/58/608218158.db2.gz VWNATHKUICOTPW-UHFFFAOYSA-N 0 3 397.874 2.113 20 30 GEEDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569046 608484305 /nfs/dbraw/zinc/48/43/05/608484305.db2.gz GBMBEPPOFACHDO-KBXCAEBGSA-N 0 3 378.436 2.023 20 30 GEEDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569046 608484306 /nfs/dbraw/zinc/48/43/06/608484306.db2.gz GBMBEPPOFACHDO-KBXCAEBGSA-N 0 3 378.436 2.023 20 30 GEEDHN CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825411872 609257168 /nfs/dbraw/zinc/25/71/68/609257168.db2.gz FVHUZCWRJZLYEE-QFBILLFUSA-N 0 3 396.495 2.112 20 30 GEEDHN CN1CC[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1 ZINC000450487964 650066059 /nfs/dbraw/zinc/06/60/59/650066059.db2.gz NVZBVNGBYYFWOH-SWLSCSKDSA-N 0 3 378.270 2.252 20 30 GEEDHN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451422106 650112657 /nfs/dbraw/zinc/11/26/57/650112657.db2.gz ABZVVSFBWOQCCB-JTQLQIEISA-N 0 3 392.294 2.468 20 30 GEEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452085979 650172172 /nfs/dbraw/zinc/17/21/72/650172172.db2.gz OQTYWHJBSFSRAH-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN CCCN(C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000503282814 650417443 /nfs/dbraw/zinc/41/74/43/650417443.db2.gz KXPDHPXMKUIQOZ-QGZVFWFLSA-N 0 3 393.329 2.500 20 30 GEEDHN CN(C)CCN1C[C@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920395 650508130 /nfs/dbraw/zinc/50/81/30/650508130.db2.gz HOCJFVRYLGXHTE-BXUZGUMPSA-N 0 3 383.279 2.084 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H](C(=O)OC)c2ccc(Br)cc2)CC1 ZINC000069511449 643033229 /nfs/dbraw/zinc/03/32/29/643033229.db2.gz DIRLFTVXLDUPHY-INIZCTEOSA-N 0 3 393.281 2.125 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H](C(=O)OC)c2ccc(Br)cc2)CC1 ZINC000069511442 643033476 /nfs/dbraw/zinc/03/34/76/643033476.db2.gz DIRLFTVXLDUPHY-MRXNPFEDSA-N 0 3 393.281 2.125 20 30 GEEDHN CC[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000127161923 643760724 /nfs/dbraw/zinc/76/07/24/643760724.db2.gz BOHYGRNQGHVTSU-IRXDYDNUSA-N 0 3 393.329 2.498 20 30 GEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000129438074 643822511 /nfs/dbraw/zinc/82/25/11/643822511.db2.gz CWDMESITOXVIBM-HUUCEWRRSA-N 0 3 392.253 2.004 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173933554 644364425 /nfs/dbraw/zinc/36/44/25/644364425.db2.gz UQJCESMTINNQNN-SWLSCSKDSA-N 0 3 397.269 2.468 20 30 GEEDHN C=CCN1CCC(NC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000179344023 644455922 /nfs/dbraw/zinc/45/59/22/644455922.db2.gz KZCJUWPYCZRJNA-UHFFFAOYSA-N 0 3 390.285 2.410 20 30 GEEDHN C#CCSCCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280556756 646694785 /nfs/dbraw/zinc/69/47/85/646694785.db2.gz JFAIDAQZIZGGPM-JTQLQIEISA-N 0 3 377.329 2.114 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cc(Br)cn1 ZINC000299373542 647272554 /nfs/dbraw/zinc/27/25/54/647272554.db2.gz WJGWPQNNTKYZCI-UHFFFAOYSA-N 0 3 390.285 2.108 20 30 GEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432395 648125944 /nfs/dbraw/zinc/12/59/44/648125944.db2.gz JYONEYSOBPUGJK-HIFRSBDPSA-N 0 3 398.326 2.426 20 30 GEEDHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](N)CCCC#N ZINC000424112932 648613600 /nfs/dbraw/zinc/61/36/00/648613600.db2.gz LGRFXBIVLFQJGI-ZDUSSCGKSA-N 0 3 381.274 2.224 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000424116260 648614263 /nfs/dbraw/zinc/61/42/63/648614263.db2.gz XHYJMXAOXFKLSY-CYBMUJFWSA-N 0 3 377.246 2.049 20 30 GEEDHN C=C(C)COCCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708407 648765824 /nfs/dbraw/zinc/76/58/24/648765824.db2.gz SRJNXDRYBAPPJK-LLVKDONJSA-N 0 3 377.304 2.340 20 30 GEEDHN N#Cc1cc(Br)ccc1Cn1cc([C@@H](N)C2CCOCC2)nn1 ZINC000603241747 651473678 /nfs/dbraw/zinc/47/36/78/651473678.db2.gz NFCBTISOUDYJOG-INIZCTEOSA-N 0 3 376.258 2.387 20 30 GEEDHN C#CCOCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000753385939 652406173 /nfs/dbraw/zinc/40/61/73/652406173.db2.gz YUDLBYGKXXIBPC-UHFFFAOYSA-N 0 3 382.302 2.172 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000594430014 652648612 /nfs/dbraw/zinc/64/86/12/652648612.db2.gz ZBGJHIJBPCJVLV-CQSZACIVSA-N 0 3 381.274 2.305 20 30 GEEDHN COc1cc(Br)c(CNC(=O)[C@H](N)CCCCC#N)cc1OC ZINC000594437530 652649084 /nfs/dbraw/zinc/64/90/84/652649084.db2.gz LXBOQTWZBSSTST-CYBMUJFWSA-N 0 3 384.274 2.494 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000594436477 652649365 /nfs/dbraw/zinc/64/93/65/652649365.db2.gz JRQJKCOWLCOHHH-CQSZACIVSA-N 0 3 391.273 2.439 20 30 GEEDHN N#CC1(C[C@H](O)CN[C@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357060 652863716 /nfs/dbraw/zinc/86/37/16/652863716.db2.gz KWABOAWMPPSWEL-JKSUJKDBSA-N 0 3 383.286 2.143 20 30 GEEDHN C#CCOc1cccc(Cl)c1CNCCc1ccc(S(N)(=O)=O)cc1 ZINC000778156143 653433453 /nfs/dbraw/zinc/43/34/53/653433453.db2.gz NXIUPWVZRJFDCO-UHFFFAOYSA-N 0 3 378.881 2.332 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558420 653435606 /nfs/dbraw/zinc/43/56/06/653435606.db2.gz MLJHBKJRYFGGRL-CZUORRHYSA-N 0 3 387.933 2.364 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893557 653452082 /nfs/dbraw/zinc/45/20/82/653452082.db2.gz MGERCSUBBWCDSJ-CHWSQXEVSA-N 0 3 375.778 2.175 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000876894867 653452988 /nfs/dbraw/zinc/45/29/88/653452988.db2.gz YATICXVKUUSRSW-QWHCGFSZSA-N 0 3 375.778 2.175 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896227 653453011 /nfs/dbraw/zinc/45/30/11/653453011.db2.gz XZQGJMSXULZIBS-VXGBXAGGSA-N 0 3 375.778 2.397 20 30 GEEDHN C#CCC1(O)CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000880483776 653706671 /nfs/dbraw/zinc/70/66/71/653706671.db2.gz KMAPKKBMUSIILE-HNNXBMFYSA-N 0 3 386.261 2.178 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000818593251 653734174 /nfs/dbraw/zinc/73/41/74/653734174.db2.gz RQBYICOSQKQRPX-UHFFFAOYSA-N 0 3 375.270 2.320 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000818615564 653734858 /nfs/dbraw/zinc/73/48/58/653734858.db2.gz QLXBZZCVEPQWHK-UHFFFAOYSA-N 0 3 375.270 2.320 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1cc(Br)cn1 ZINC000842683790 653762804 /nfs/dbraw/zinc/76/28/04/653762804.db2.gz RMJXXLLJIZFZFA-JSGCOSHPSA-N 0 3 399.289 2.237 20 30 GEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000820612235 653778286 /nfs/dbraw/zinc/77/82/86/653778286.db2.gz SNMYIGIVNNBVNK-IAGOWNOFSA-N 0 3 394.313 2.269 20 30 GEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883084472 653825538 /nfs/dbraw/zinc/82/55/38/653825538.db2.gz SCLHFNXFCCCPJC-GFCCVEGCSA-N 0 3 396.289 2.290 20 30 GEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H]1N(C)C ZINC000883099203 653826692 /nfs/dbraw/zinc/82/66/92/653826692.db2.gz MOYPVAPHTFFWTH-VXGBXAGGSA-N 0 3 384.303 2.225 20 30 GEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)Oc1cccc(Br)c1 ZINC000884155782 653866437 /nfs/dbraw/zinc/86/64/37/653866437.db2.gz KWIHOAVGYHVZIE-CZJPOVKDSA-N 0 3 392.297 2.472 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)C2 ZINC000884458304 653877461 /nfs/dbraw/zinc/87/74/61/653877461.db2.gz BDKSBLFAFBRKNC-VUZCBUIWSA-N 0 3 386.293 2.343 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)c2nccn2c1)C1CCN(C)CC1 ZINC000886572560 653992164 /nfs/dbraw/zinc/99/21/64/653992164.db2.gz QNKHBLAGYLBTNX-UHFFFAOYSA-N 0 3 375.270 2.266 20 30 GEEDHN C#CCN(C(=O)c1cnn2cccc(Br)c12)C1CCN(C)CC1 ZINC000886571038 653992256 /nfs/dbraw/zinc/99/22/56/653992256.db2.gz GOFUOXYOURJEJF-UHFFFAOYSA-N 0 3 375.270 2.266 20 30 GEEDHN C#CCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 ZINC000886589399 653993055 /nfs/dbraw/zinc/99/30/55/653993055.db2.gz UHIMOAYSRAERCA-UHFFFAOYSA-N 0 3 382.291 2.279 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000827643524 654001689 /nfs/dbraw/zinc/00/16/89/654001689.db2.gz MPYYHSWQEKCWAZ-UHFFFAOYSA-N 0 3 393.734 2.477 20 30 GEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000923263677 654440178 /nfs/dbraw/zinc/44/01/78/654440178.db2.gz AMCSWJXDUUAZDZ-UONOGXRCSA-N 0 3 378.270 2.395 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@@H]21 ZINC000907052878 654504213 /nfs/dbraw/zinc/50/42/13/654504213.db2.gz HYRQBWSQQKUWMN-WBMJQRKESA-N 0 3 398.326 2.426 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)Cc1cc(C#N)cs1 ZINC000907565614 654558736 /nfs/dbraw/zinc/55/87/36/654558736.db2.gz OWIIXUJWCYOPFA-NSHDSACASA-N 0 3 384.401 2.265 20 30 GEEDHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164985875 722100265 /nfs/dbraw/zinc/10/02/65/722100265.db2.gz XHOXARFWCTZOIW-YLJYHZDGSA-N 0 3 379.464 2.084 20 30 GEEDHN CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc([O-])c(Br)c2)CC1 ZINC000153464853 531600259 /nfs/dbraw/zinc/60/02/59/531600259.db2.gz DWHLGZUVJRTTED-UHFFFAOYSA-N 0 3 399.289 2.180 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000176090733 532125940 /nfs/dbraw/zinc/12/59/40/532125940.db2.gz FBDTVBIDHQWAHM-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191809285 532368708 /nfs/dbraw/zinc/36/87/08/532368708.db2.gz DWABMPMAMUGAQR-QGZVFWFLSA-N 0 3 391.313 2.059 20 30 GEEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000590666689 532380873 /nfs/dbraw/zinc/38/08/73/532380873.db2.gz MYTHSVZFMCAOFZ-ZDUSSCGKSA-N 0 3 378.270 2.300 20 30 GEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886641 532387372 /nfs/dbraw/zinc/38/73/72/532387372.db2.gz SXSNQPUWMAGMBJ-NHYWBVRUSA-N 0 3 386.315 2.281 20 30 GEEDHN CCN1CCN(CCCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294982361 532394255 /nfs/dbraw/zinc/39/42/55/532394255.db2.gz SIZAQIMOLULWLT-UHFFFAOYSA-N 0 3 393.329 2.468 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1N1CCCC1 ZINC000295204011 532417361 /nfs/dbraw/zinc/41/73/61/532417361.db2.gz VSNUULPMYJVKDG-DLBZAZTESA-N 0 3 383.514 2.039 20 30 GEEDHN C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N(C)C1CC1 ZINC000592756469 532461160 /nfs/dbraw/zinc/46/11/60/532461160.db2.gz AOOWENSZGIOQRF-GFCCVEGCSA-N 0 3 391.313 2.356 20 30 GEEDHN CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1N(C)C ZINC000593560335 532488627 /nfs/dbraw/zinc/48/86/27/532488627.db2.gz DPUFUYYAIJLSPD-GJZGRUSLSA-N 0 3 382.327 2.367 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594479823 532509449 /nfs/dbraw/zinc/50/94/49/532509449.db2.gz IBTKJJIHRIFFCX-ZDUSSCGKSA-N 0 3 376.356 2.088 20 30 GEEDHN CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCN(CC)C1 ZINC000595129992 532544607 /nfs/dbraw/zinc/54/46/07/532544607.db2.gz HRJQHBRMIGSYOP-AWEZNQCLSA-N 0 3 393.285 2.202 20 30 GEEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc1Br ZINC000297146310 532569814 /nfs/dbraw/zinc/56/98/14/532569814.db2.gz UFFGEBDGRDNZNG-AWEZNQCLSA-N 0 3 381.274 2.289 20 30 GEEDHN CCN(CCC#N)C(=O)CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572710 532665941 /nfs/dbraw/zinc/66/59/41/532665941.db2.gz GLBYSNAEACACBL-GOSISDBHSA-N 0 3 394.313 2.021 20 30 GEEDHN CS(=O)(=O)c1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1C(F)(F)F ZINC000600735942 532679132 /nfs/dbraw/zinc/67/91/32/532679132.db2.gz WOINZKYXADFMCH-GFCCVEGCSA-N 0 3 376.400 2.253 20 30 GEEDHN C=CCOc1c(Br)cc(CNCCn2cnc(C#N)n2)cc1OC ZINC000285473839 532682538 /nfs/dbraw/zinc/68/25/38/532682538.db2.gz KSRXUZKAYPNFJC-UHFFFAOYSA-N 0 3 392.257 2.275 20 30 GEEDHN N#CCC[C@H](C#N)CNCCCNS(=O)(=O)c1ccccc1Br ZINC000551935427 532802439 /nfs/dbraw/zinc/80/24/39/532802439.db2.gz YDXXFADQQPEJJT-CYBMUJFWSA-N 0 3 399.314 2.151 20 30 GEEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330675367 532824891 /nfs/dbraw/zinc/82/48/91/532824891.db2.gz SCJADWHOVLZRLU-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@H]2CNCCO2)cc1OCC ZINC000415097647 532837701 /nfs/dbraw/zinc/83/77/01/532837701.db2.gz UBMLWDQZNUDOFA-CQSZACIVSA-N 0 3 385.302 2.491 20 30 GEEDHN CCCN1CCC(NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416366606 532871993 /nfs/dbraw/zinc/87/19/93/532871993.db2.gz DBXKEXJPQXVSMI-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000416366034 532871861 /nfs/dbraw/zinc/87/18/61/532871861.db2.gz BPPGTFMGTISFBT-UONOGXRCSA-N 0 3 384.299 2.226 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000293294609 532924863 /nfs/dbraw/zinc/92/48/63/532924863.db2.gz HBUITSZEEQWJCD-UHFFFAOYSA-N 0 3 375.778 2.369 20 30 GEEDHN C#CCNC(=O)[C@H](C)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293565965 532928847 /nfs/dbraw/zinc/92/88/47/532928847.db2.gz MNJYROSAMYTGAS-ZDUSSCGKSA-N 0 3 397.288 2.407 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000735421394 598271925 /nfs/dbraw/zinc/27/19/25/598271925.db2.gz YENMCGNTJLXKNK-UHFFFAOYSA-N 0 3 383.500 2.439 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000735421394 598271927 /nfs/dbraw/zinc/27/19/27/598271927.db2.gz YENMCGNTJLXKNK-UHFFFAOYSA-N 0 3 383.500 2.439 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000735421394 598271929 /nfs/dbraw/zinc/27/19/29/598271929.db2.gz YENMCGNTJLXKNK-UHFFFAOYSA-N 0 3 383.500 2.439 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000735421394 598271931 /nfs/dbraw/zinc/27/19/31/598271931.db2.gz YENMCGNTJLXKNK-UHFFFAOYSA-N 0 3 383.500 2.439 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000819743291 606602373 /nfs/dbraw/zinc/60/23/73/606602373.db2.gz GMPXNUZNZJWTCB-QZTJIDSGSA-N 0 3 383.500 2.437 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000819743291 606602375 /nfs/dbraw/zinc/60/23/75/606602375.db2.gz GMPXNUZNZJWTCB-QZTJIDSGSA-N 0 3 383.500 2.437 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000819743295 606602384 /nfs/dbraw/zinc/60/23/84/606602384.db2.gz GMPXNUZNZJWTCB-ZWKOTPCHSA-N 0 3 383.500 2.437 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000819743295 606602386 /nfs/dbraw/zinc/60/23/86/606602386.db2.gz GMPXNUZNZJWTCB-ZWKOTPCHSA-N 0 3 383.500 2.437 20 30 GEEDHN CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CN2CCC1CC2 ZINC000449863380 650054396 /nfs/dbraw/zinc/05/43/96/650054396.db2.gz FYURZARAUQNCAP-HNNXBMFYSA-N 0 3 378.270 2.252 20 30 GEEDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000450481539 650065749 /nfs/dbraw/zinc/06/57/49/650065749.db2.gz BAZVDTGZCGLXSK-MLGOLLRUSA-N 0 3 378.270 2.252 20 30 GEEDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000450481540 650065815 /nfs/dbraw/zinc/06/58/15/650065815.db2.gz BAZVDTGZCGLXSK-WBMJQRKESA-N 0 3 378.270 2.252 20 30 GEEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451476224 650119136 /nfs/dbraw/zinc/11/91/36/650119136.db2.gz UEXNJMMCDYDCFA-OAHLLOKOSA-N 0 3 384.571 2.475 20 30 GEEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452095299 650173036 /nfs/dbraw/zinc/17/30/36/650173036.db2.gz YFNSDQICYOXSMY-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)NCCN(CC)CCO ZINC000459654825 650429811 /nfs/dbraw/zinc/42/98/11/650429811.db2.gz CRMQGNXLSVPTHB-UHFFFAOYSA-N 0 3 386.290 2.450 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNC2CCN(c3nccs3)CC2)c1 ZINC000517025786 650601903 /nfs/dbraw/zinc/60/19/03/650601903.db2.gz KJOAKQSJZJSBPY-UHFFFAOYSA-N 0 3 376.507 2.047 20 30 GEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000130884849 643854094 /nfs/dbraw/zinc/85/40/94/643854094.db2.gz QTMRKTPFKWPLRU-CABCVRRESA-N 0 3 394.269 2.250 20 30 GEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000130885266 643854227 /nfs/dbraw/zinc/85/42/27/643854227.db2.gz QTMRKTPFKWPLRU-HUUCEWRRSA-N 0 3 394.269 2.250 20 30 GEEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000171566058 644327087 /nfs/dbraw/zinc/32/70/87/644327087.db2.gz FISFPJZBAJYZTB-UHFFFAOYSA-N 0 3 386.315 2.007 20 30 GEEDHN N#CC(C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000193467900 645276040 /nfs/dbraw/zinc/27/60/40/645276040.db2.gz ITCCUDKBIQQDOG-SNVBAGLBSA-N 0 3 382.163 2.446 20 30 GEEDHN C=CCN1CCC(NC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000279404310 646599408 /nfs/dbraw/zinc/59/94/08/646599408.db2.gz BLHBNRDBMCLADK-UHFFFAOYSA-N 0 3 384.322 2.375 20 30 GEEDHN CN(C)C[C@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)CCO1 ZINC000329642480 647322177 /nfs/dbraw/zinc/32/21/77/647322177.db2.gz YIFVDTBAZAUMEK-HNNXBMFYSA-N 0 3 398.301 2.060 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1N1CCCC1 ZINC000333230371 647466652 /nfs/dbraw/zinc/46/66/52/647466652.db2.gz UKMONJQZNWQJSB-IRXDYDNUSA-N 0 3 383.514 2.039 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000411239262 648028689 /nfs/dbraw/zinc/02/86/89/648028689.db2.gz FOSSUHZDVKOLCA-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420030636 648396886 /nfs/dbraw/zinc/39/68/86/648396886.db2.gz GOYHGDIZERTVLD-AAEUAGOBSA-N 0 3 385.917 2.145 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000424103843 648613816 /nfs/dbraw/zinc/61/38/16/648613816.db2.gz SYTRMNWKTGQEMM-AWEZNQCLSA-N 0 3 383.279 2.299 20 30 GEEDHN N#CCCC[C@H](N)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000424116262 648614101 /nfs/dbraw/zinc/61/41/01/648614101.db2.gz XHYJMXAOXFKLSY-ZDUSSCGKSA-N 0 3 377.246 2.049 20 30 GEEDHN CC(C)N1CCN([C@H]2CCN(c3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603309267 651479671 /nfs/dbraw/zinc/47/96/71/651479671.db2.gz CVZHMXKDZCEJSE-HNNXBMFYSA-N 0 3 378.318 2.320 20 30 GEEDHN C=CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 ZINC000644218295 651525909 /nfs/dbraw/zinc/52/59/09/651525909.db2.gz MXECCRZCFYOWNQ-UHFFFAOYSA-N 0 3 379.507 2.412 20 30 GEEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCCNC2=O)CC1 ZINC000574044798 651997527 /nfs/dbraw/zinc/99/75/27/651997527.db2.gz FHGZTBDMHLNDCE-WBVHZDCISA-N 0 3 391.313 2.158 20 30 GEEDHN C#CCN1CCN(C(=O)CNC(C)(C)c2ccc(Br)cc2)CC1 ZINC000748814128 652217625 /nfs/dbraw/zinc/21/76/25/652217625.db2.gz TXLFVSTWCANUFJ-UHFFFAOYSA-N 0 3 378.314 2.051 20 30 GEEDHN C=CCN1CC[C@H](N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796937 652371815 /nfs/dbraw/zinc/37/18/15/652371815.db2.gz NZAKJOPFOLULEO-WMZOPIPTSA-N 0 3 379.298 2.045 20 30 GEEDHN C=CCOc1c(Br)cc(CN2CCOC3(CNC3)C2)cc1OC ZINC000663511531 652502218 /nfs/dbraw/zinc/50/22/18/652502218.db2.gz CMCAVBWRPIYPBY-UHFFFAOYSA-N 0 3 383.286 2.197 20 30 GEEDHN N#CC[C@@]1(O)CCN(CCCOc2cccc(I)c2)C1 ZINC000592152447 652589286 /nfs/dbraw/zinc/58/92/86/652589286.db2.gz XWCYZMTZWOZQMR-OAHLLOKOSA-N 0 3 386.233 2.411 20 30 GEEDHN COC(=O)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1Br ZINC000595255960 652710765 /nfs/dbraw/zinc/71/07/65/652710765.db2.gz HHODRERUNBMWSP-KGLIPLIRSA-N 0 3 382.258 2.191 20 30 GEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000599357681 652863670 /nfs/dbraw/zinc/86/36/70/652863670.db2.gz WBNIZDRWOKSYOE-DLBZAZTESA-N 0 3 391.265 2.384 20 30 GEEDHN COC(=O)C1CCN(CCCNc2cc(Br)cnc2C#N)CC1 ZINC000809355872 653264222 /nfs/dbraw/zinc/26/42/22/653264222.db2.gz GIECJSUYKRMXKB-UHFFFAOYSA-N 0 3 381.274 2.403 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000876635155 653439722 /nfs/dbraw/zinc/43/97/22/653439722.db2.gz NSUHEZVCSFXWDX-CYBMUJFWSA-N 0 3 388.693 2.155 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000876966195 653456757 /nfs/dbraw/zinc/45/67/57/653456757.db2.gz QVZVFCSHWUFUAO-VXGBXAGGSA-N 0 3 375.650 2.249 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000815082567 653650481 /nfs/dbraw/zinc/65/04/81/653650481.db2.gz ZCEVRCWBOMKYTI-UHFFFAOYSA-N 0 3 381.885 2.130 20 30 GEEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815082681 653650656 /nfs/dbraw/zinc/65/06/56/653650656.db2.gz DBKXFDASSIQPDP-UHFFFAOYSA-N 0 3 380.253 2.135 20 30 GEEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815082681 653650658 /nfs/dbraw/zinc/65/06/58/653650658.db2.gz DBKXFDASSIQPDP-UHFFFAOYSA-N 0 3 380.253 2.135 20 30 GEEDHN CN(C)c1ccc(C#N)cc1CNCCn1cc(Br)ccc1=O ZINC000865582689 653768956 /nfs/dbraw/zinc/76/89/56/653768956.db2.gz GNEZRXFEPVIDKC-UHFFFAOYSA-N 0 3 375.270 2.338 20 30 GEEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)Oc1cccc(Br)c1 ZINC000884155783 653866313 /nfs/dbraw/zinc/86/63/13/653866313.db2.gz KWIHOAVGYHVZIE-DWBBHFSCSA-N 0 3 392.297 2.472 20 30 GEEDHN Cc1nc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)ccc1I ZINC000884291565 653871010 /nfs/dbraw/zinc/87/10/10/653871010.db2.gz BLJIAAHKERSJGH-LOIXOFCESA-N 0 3 396.232 2.073 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(Br)c(F)c1F)C2 ZINC000884435977 653876719 /nfs/dbraw/zinc/87/67/19/653876719.db2.gz PQFDLTJNVJNTDA-NOEPWBJOSA-N 0 3 384.224 2.483 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(Br)c(F)c1F)C2 ZINC000884435976 653876921 /nfs/dbraw/zinc/87/69/21/653876921.db2.gz PQFDLTJNVJNTDA-CSJGVYOVSA-N 0 3 384.224 2.483 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)cc2c1OCCO2)C1CCN(C)CC1 ZINC000886573569 653992136 /nfs/dbraw/zinc/99/21/36/653992136.db2.gz NKZQUUUTDFMFHF-UHFFFAOYSA-N 0 3 393.281 2.390 20 30 GEEDHN C#CCN(C(=O)c1cc2c(cc1Br)OCO2)C1CCN(C)CC1 ZINC000886573595 653992198 /nfs/dbraw/zinc/99/21/98/653992198.db2.gz OHLSWOFYTSXQPX-UHFFFAOYSA-N 0 3 379.254 2.347 20 30 GEEDHN C#CCN(C(=O)c1ccccc1I)C1CCN(C)CC1 ZINC000886588956 653992721 /nfs/dbraw/zinc/99/27/21/653992721.db2.gz DYOCGBCKGNOAAK-UHFFFAOYSA-N 0 3 382.245 2.461 20 30 GEEDHN C#CCN(C(=O)c1c[nH]c2ncc(Br)cc12)C1CCN(C)CC1 ZINC000886577359 653992737 /nfs/dbraw/zinc/99/27/37/653992737.db2.gz FVMMIWJDFOUSJE-UHFFFAOYSA-N 0 3 375.270 2.495 20 30 GEEDHN C#CCC1(NCC(=O)Nc2ccc(I)cc2)CCOCC1 ZINC000887124709 654020860 /nfs/dbraw/zinc/02/08/60/654020860.db2.gz PSWMDEUIKRHKEC-UHFFFAOYSA-N 0 3 398.244 2.392 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000918486074 654152424 /nfs/dbraw/zinc/15/24/24/654152424.db2.gz CAROITZZDBDZQM-LBPRGKRZSA-N 0 3 381.885 2.487 20 30 GEEDHN O=C(N1C[C@H]2CN(CCOCC(F)(F)C(F)F)CC[C@@H]2C1)C(F)(F)F ZINC000831576905 654192238 /nfs/dbraw/zinc/19/22/38/654192238.db2.gz LNGPVLHKKVNHQV-NXEZZACHSA-N 0 3 380.304 2.246 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000870943090 654211223 /nfs/dbraw/zinc/21/12/23/654211223.db2.gz WVKKUPTVTSQUFC-LJQANCHMSA-N 0 3 393.325 2.204 20 30 GEEDHN C#C[C@@H](NC(=O)CCN1CCN(CC)CC1)c1ccc(Br)cc1 ZINC000833230823 654304043 /nfs/dbraw/zinc/30/40/43/654304043.db2.gz LENJYHJEDXEJBK-QGZVFWFLSA-N 0 3 378.314 2.267 20 30 GEEDHN N#CC(C(=O)COCCc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000892457673 654347037 /nfs/dbraw/zinc/34/70/37/654347037.db2.gz LQIVMPWQGGTMEB-HNNXBMFYSA-N 0 3 379.254 2.339 20 30 GEEDHN CN1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932555456 654782098 /nfs/dbraw/zinc/78/20/98/654782098.db2.gz FSQRCQKRENSRCY-LLVKDONJSA-N 0 3 384.221 2.379 20 30 GEEDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(Cl)c1C#N)CC2 ZINC001164690256 719752468 /nfs/dbraw/zinc/75/24/68/719752468.db2.gz WWYPEGDSLGVFMQ-UHFFFAOYSA-N 0 3 382.295 2.441 20 30 GEEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](OCc4cccnc4)C[C@H]3C1)CCC2 ZINC001164877655 721145566 /nfs/dbraw/zinc/14/55/66/721145566.db2.gz PPCMELRBBKLISL-VQTJNVASSA-N 0 3 375.476 2.317 20 30 GEEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc12 ZINC001164902788 721546870 /nfs/dbraw/zinc/54/68/70/721546870.db2.gz BFKHQJFVMVOQMJ-NVXWUHKLSA-N 0 3 378.411 2.311 20 30 GEEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc12 ZINC001164902792 721547119 /nfs/dbraw/zinc/54/71/19/721547119.db2.gz BFKHQJFVMVOQMJ-RDJZCZTQSA-N 0 3 378.411 2.311 20 30 GEEDHN CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909769 721564089 /nfs/dbraw/zinc/56/40/89/721564089.db2.gz UWBCPOVVRNYBFD-NVXWUHKLSA-N 0 3 392.438 2.263 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000176076794 532124513 /nfs/dbraw/zinc/12/45/13/532124513.db2.gz JBCCJVYDJWDTRQ-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN C=CCN1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000178089911 532192466 /nfs/dbraw/zinc/19/24/66/532192466.db2.gz GHCOHJFWTRSJLA-MRXNPFEDSA-N 0 3 382.302 2.432 20 30 GEEDHN CCN(CCC#N)C(=O)CNC(C)(C)COc1ncccc1Br ZINC000181513881 532300354 /nfs/dbraw/zinc/30/03/54/532300354.db2.gz FXFZDEAVUUDLAI-UHFFFAOYSA-N 0 3 383.290 2.353 20 30 GEEDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc(Br)c1C#N ZINC000425733066 532391778 /nfs/dbraw/zinc/39/17/78/532391778.db2.gz AEVSRFTXOGAPCD-ZYHUDNBSSA-N 0 3 393.285 2.167 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)nn1C ZINC000192182376 532391945 /nfs/dbraw/zinc/39/19/45/532391945.db2.gz NVBSMANFDYGRHL-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425746829 532392493 /nfs/dbraw/zinc/39/24/93/532392493.db2.gz SHKCSGOSEQZCCS-GFCCVEGCSA-N 0 3 393.285 2.168 20 30 GEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328785 532409086 /nfs/dbraw/zinc/40/90/86/532409086.db2.gz CAACNOBQJYMEIL-HNNXBMFYSA-N 0 3 384.299 2.037 20 30 GEEDHN CN(C)[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592757378 532460314 /nfs/dbraw/zinc/46/03/14/532460314.db2.gz KYMVROKHNLOLSP-MRXNPFEDSA-N 0 3 391.313 2.310 20 30 GEEDHN CC(C)(C)c1nc(CCNCCS(=O)(=O)c2ccc(C#N)cn2)cs1 ZINC000562992286 532492164 /nfs/dbraw/zinc/49/21/64/532492164.db2.gz NWZUJAVUKUOJOO-UHFFFAOYSA-N 0 3 378.523 2.313 20 30 GEEDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000595090028 532544157 /nfs/dbraw/zinc/54/41/57/532544157.db2.gz BUAPMARSDLXTKA-LBPRGKRZSA-N 0 3 393.285 2.248 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)cc1Cl ZINC000264139059 532662566 /nfs/dbraw/zinc/66/25/66/532662566.db2.gz BAEPQJBAOJOWGX-UHFFFAOYSA-N 0 3 383.901 2.135 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2cc(OC)c(OC)cc2Br)CC1 ZINC000263920048 532649979 /nfs/dbraw/zinc/64/99/79/532649979.db2.gz PPXIQZIZOFEINF-UHFFFAOYSA-N 0 3 395.297 2.428 20 30 GEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734831 532679846 /nfs/dbraw/zinc/67/98/46/532679846.db2.gz QPHGCBKCQDGFJM-CABCVRRESA-N 0 3 378.270 2.199 20 30 GEEDHN CCOc1c(Br)cc(CNCCn2cnc(C#N)n2)cc1OC ZINC000285464368 532683224 /nfs/dbraw/zinc/68/32/24/532683224.db2.gz JZPHBTSVBPVRKA-UHFFFAOYSA-N 0 3 380.246 2.109 20 30 GEEDHN C=CCSc1ccccc1NC(=O)CSc1nnnn1CCN(C)C ZINC000488669600 532701202 /nfs/dbraw/zinc/70/12/02/532701202.db2.gz CJHIGIRSNUXLPC-UHFFFAOYSA-N 0 3 378.527 2.244 20 30 GEEDHN N#Cc1ncn(CCNCc2ccc(Br)c(Br)c2)n1 ZINC000285535175 532689081 /nfs/dbraw/zinc/68/90/81/532689081.db2.gz PKGFTGKBLNYXDQ-UHFFFAOYSA-N 0 3 385.063 2.465 20 30 GEEDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287469677 532797190 /nfs/dbraw/zinc/79/71/90/532797190.db2.gz OLUVJJLLFSCWFK-UHFFFAOYSA-N 0 3 393.285 2.107 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329284544 532804938 /nfs/dbraw/zinc/80/49/38/532804938.db2.gz GCDSSHZINDTSPZ-ZDUSSCGKSA-N 0 3 395.301 2.436 20 30 GEEDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CCC1 ZINC000332460683 532855764 /nfs/dbraw/zinc/85/57/64/532855764.db2.gz IZWDIGWMHHPAPJ-UHFFFAOYSA-N 0 3 386.315 2.426 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000365407413 532910789 /nfs/dbraw/zinc/91/07/89/532910789.db2.gz WKJNXRFOCIUTCX-OAHLLOKOSA-N 0 3 398.326 2.066 20 30 GEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293251977 532924191 /nfs/dbraw/zinc/92/41/91/532924191.db2.gz CZOSKVWGKVDWMH-CQSZACIVSA-N 0 3 393.285 2.250 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000367682833 532926477 /nfs/dbraw/zinc/92/64/77/532926477.db2.gz BXUVECXEKRRJHL-HOCLYGCPSA-N 0 3 379.844 2.466 20 30 GEEDHN C#CCN(C)CCCNC(=O)CSc1nnc(-c2cccs2)n1CC ZINC000293962841 532933988 /nfs/dbraw/zinc/93/39/88/532933988.db2.gz LEMHHXSRFMNOMM-UHFFFAOYSA-N 0 3 377.539 2.190 20 30 GEEDHN C#CCC[NH+]1CCC(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735375028 599274254 /nfs/dbraw/zinc/27/42/54/599274254.db2.gz IEDZIZNICYBMIC-UHFFFAOYSA-N 0 3 396.495 2.020 20 30 GEEDHN N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3F)CC2)nc1 ZINC000822829945 607479648 /nfs/dbraw/zinc/47/96/48/607479648.db2.gz QOAVUEWJTPXBFQ-UHFFFAOYSA-N 0 3 378.415 2.031 20 30 GEEDHN N#Cc1ccc([C@@H](O)CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822826426 606896139 /nfs/dbraw/zinc/89/61/39/606896139.db2.gz XTTQVUHGRHONCS-FQEVSTJZSA-N 0 3 390.447 2.315 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000819743512 606986073 /nfs/dbraw/zinc/98/60/73/606986073.db2.gz KUGKBZGKHOVOQY-GOSISDBHSA-N 0 3 383.500 2.439 20 30 GEEDHN CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825411871 609257364 /nfs/dbraw/zinc/25/73/64/609257364.db2.gz FVHUZCWRJZLYEE-LPHOPBHVSA-N 0 3 396.495 2.112 20 30 GEEDHN CN1CCN(CCC(C)(C)NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000450960936 650076797 /nfs/dbraw/zinc/07/67/97/650076797.db2.gz TYAUYLNHXGBCRS-UHFFFAOYSA-N 0 3 393.329 2.467 20 30 GEEDHN CN(C)CCn1nccc1NC(=O)COc1cccc(Br)c1C#N ZINC000452519219 650188064 /nfs/dbraw/zinc/18/80/64/650188064.db2.gz BFOMXSSLIAQPIB-UHFFFAOYSA-N 0 3 392.257 2.096 20 30 GEEDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000454105532 650253601 /nfs/dbraw/zinc/25/36/01/650253601.db2.gz QFGRMPIBSZBMDD-AWEZNQCLSA-N 0 3 393.285 2.200 20 30 GEEDHN CN(C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920625 650508154 /nfs/dbraw/zinc/50/81/54/650508154.db2.gz HOCJFVRYLGXHTE-RISCZKNCSA-N 0 3 383.279 2.084 20 30 GEEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000533095935 650757050 /nfs/dbraw/zinc/75/70/50/650757050.db2.gz JAFBNSWVBSKPBM-UHFFFAOYSA-N 0 3 383.901 2.135 20 30 GEEDHN C#CCN1CCC(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000066921471 642950864 /nfs/dbraw/zinc/95/08/64/642950864.db2.gz QWVAKXRSTJNHBQ-UHFFFAOYSA-N 0 3 392.297 2.239 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000117083420 643482506 /nfs/dbraw/zinc/48/25/06/643482506.db2.gz DAPPYGGETHIKMM-FATZIPQQSA-N 0 3 397.294 2.348 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000125009200 643697510 /nfs/dbraw/zinc/69/75/10/643697510.db2.gz OZEFAHGLVIWMCK-SMDDNHRTSA-N 0 3 383.242 2.078 20 30 GEEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC1CCCCCC1 ZINC000262017022 645615428 /nfs/dbraw/zinc/61/54/28/645615428.db2.gz WLHCWCYYJUINDK-UHFFFAOYSA-N 0 3 378.951 2.307 20 30 GEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)CCSC)nc1C ZINC000269109927 646016393 /nfs/dbraw/zinc/01/63/93/646016393.db2.gz WDKIQKWUCRCAHH-SECBINFHSA-N 0 3 384.556 2.204 20 30 GEEDHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000329717870 647324074 /nfs/dbraw/zinc/32/40/74/647324074.db2.gz YBLDMBQQQQTOOW-JTQLQIEISA-N 0 3 377.919 2.287 20 30 GEEDHN C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1=CC[N@@H+](C)CC1 ZINC000329717870 647324077 /nfs/dbraw/zinc/32/40/77/647324077.db2.gz YBLDMBQQQQTOOW-JTQLQIEISA-N 0 3 377.919 2.287 20 30 GEEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419641259 648358865 /nfs/dbraw/zinc/35/88/65/648358865.db2.gz HTPOIXLDRAJRBD-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419655945 648360038 /nfs/dbraw/zinc/36/00/38/648360038.db2.gz TXEVTFFTTGPZKH-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1=CCN(C)CC1 ZINC000419729554 648371730 /nfs/dbraw/zinc/37/17/30/648371730.db2.gz OPEPZVVDLCJKCX-NSHDSACASA-N 0 3 391.269 2.026 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000424184074 648616063 /nfs/dbraw/zinc/61/60/63/648616063.db2.gz LCQMXWMOLPINHD-INIZCTEOSA-N 0 3 397.292 2.254 20 30 GEEDHN N#CCCC[C@H](N)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000424186094 648616132 /nfs/dbraw/zinc/61/61/32/648616132.db2.gz HQFNHBYSHRUNAC-LBPRGKRZSA-N 0 3 378.230 2.136 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCCN(C)C1 ZINC000604198017 651509654 /nfs/dbraw/zinc/50/96/54/651509654.db2.gz DLWLKXZTNCZQBS-CYBMUJFWSA-N 0 3 396.285 2.309 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000747816822 652180429 /nfs/dbraw/zinc/18/04/29/652180429.db2.gz YAFBTMWFLHNOQM-OAHLLOKOSA-N 0 3 385.291 2.195 20 30 GEEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC ZINC000623381674 652233519 /nfs/dbraw/zinc/23/35/19/652233519.db2.gz AMIJWUGDPBGANN-CQSZACIVSA-N 0 3 388.917 2.427 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000753434750 652407840 /nfs/dbraw/zinc/40/78/40/652407840.db2.gz QALYRDKALHRZDN-UHFFFAOYSA-N 0 3 392.253 2.064 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000594430909 652648600 /nfs/dbraw/zinc/64/86/00/652648600.db2.gz DADYZLJIYLBCCT-CYBMUJFWSA-N 0 3 382.258 2.248 20 30 GEEDHN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000774961576 653275013 /nfs/dbraw/zinc/27/50/13/653275013.db2.gz GWUQFVZVJKOZCL-HNNXBMFYSA-N 0 3 382.302 2.211 20 30 GEEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836316690 653344186 /nfs/dbraw/zinc/34/41/86/653344186.db2.gz CBLNJTSJTSOVSJ-MRXNPFEDSA-N 0 3 382.302 2.432 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608491 653437452 /nfs/dbraw/zinc/43/74/52/653437452.db2.gz BEDQTDMZUWMXCY-GXTWGEPZSA-N 0 3 380.794 2.373 20 30 GEEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000815082823 653650463 /nfs/dbraw/zinc/65/04/63/653650463.db2.gz GYDASSQUYIHEQJ-UHFFFAOYSA-N 0 3 393.292 2.013 20 30 GEEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000815082823 653650465 /nfs/dbraw/zinc/65/04/65/653650465.db2.gz GYDASSQUYIHEQJ-UHFFFAOYSA-N 0 3 393.292 2.013 20 30 GEEDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350922 653655527 /nfs/dbraw/zinc/65/55/27/653655527.db2.gz AXXWGKHRWQMNAA-YVEFUNNKSA-N 0 3 397.269 2.352 20 30 GEEDHN C#CCN(C)CCCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000818592832 653734208 /nfs/dbraw/zinc/73/42/08/653734208.db2.gz BCAWMGWCBCFPEI-QGZVFWFLSA-N 0 3 394.313 2.088 20 30 GEEDHN COC(=O)C1CCN(CCCNc2ncc(C#N)cc2Br)CC1 ZINC000881808910 653740791 /nfs/dbraw/zinc/74/07/91/653740791.db2.gz KJWVUVJUFKFFSV-UHFFFAOYSA-N 0 3 381.274 2.403 20 30 GEEDHN N#Cc1cccc(Br)c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000865631779 653770673 /nfs/dbraw/zinc/77/06/73/653770673.db2.gz IMIRAIYYPUODKC-OAHLLOKOSA-N 0 3 377.286 2.239 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(I)c1)C2 ZINC000884047495 653861321 /nfs/dbraw/zinc/86/13/21/653861321.db2.gz XCQLFMBWZSBPFL-LOIXOFCESA-N 0 3 381.217 2.369 20 30 GEEDHN CC(=O)Nc1ccc(Br)cc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884109657 653863811 /nfs/dbraw/zinc/86/38/11/653863811.db2.gz MODNTGVDSJOATI-VMBJYNEYSA-N 0 3 391.269 2.485 20 30 GEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)Oc1ccccc1Br ZINC000884155544 653866387 /nfs/dbraw/zinc/86/63/87/653866387.db2.gz FFOJYLFNRKMHML-VUULHSHRSA-N 0 3 392.297 2.472 20 30 GEEDHN Cn1c(Cl)cnc1-c1csc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)n1 ZINC000884399938 653875335 /nfs/dbraw/zinc/87/53/35/653875335.db2.gz RVDJAQORACUHTE-MAXPVNGDSA-N 0 3 376.873 2.275 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)n(C)n1 ZINC000825477104 653930525 /nfs/dbraw/zinc/93/05/25/653930525.db2.gz KTDIJIGWRDOTIH-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN C#CCN(C(=O)c1ccc2c(Br)cnn2c1)C1CCN(C)CC1 ZINC000886571292 653992096 /nfs/dbraw/zinc/99/20/96/653992096.db2.gz QDWJVENQRPOMKR-UHFFFAOYSA-N 0 3 375.270 2.266 20 30 GEEDHN CN(C)CCn1nccc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000900111783 654050677 /nfs/dbraw/zinc/05/06/77/654050677.db2.gz HZIHIPWOEABYBQ-CQSZACIVSA-N 0 3 376.258 2.202 20 30 GEEDHN C=C(CCN(C)C)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000900488540 654066779 /nfs/dbraw/zinc/06/67/79/654066779.db2.gz PSPIRWKFFCODLE-UHFFFAOYSA-N 0 3 380.388 2.435 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C)nc1Br ZINC000888223019 654071707 /nfs/dbraw/zinc/07/17/07/654071707.db2.gz VKWXMDZACUGUMP-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1 ZINC000916933252 654111484 /nfs/dbraw/zinc/11/14/84/654111484.db2.gz BEDCVGNOHYNCGJ-LLVKDONJSA-N 0 3 377.198 2.002 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246073 654319500 /nfs/dbraw/zinc/31/95/00/654319500.db2.gz ADUJDTKKALXBFJ-KRWDZBQOSA-N 0 3 378.881 2.179 20 30 GEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2c(Br)cnn2C)c1 ZINC000892492722 654348219 /nfs/dbraw/zinc/34/82/19/654348219.db2.gz WQFQPXQBGXDXJX-LBPRGKRZSA-N 0 3 391.225 2.081 20 30 GEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892496232 654348399 /nfs/dbraw/zinc/34/83/99/654348399.db2.gz KQSVURDLKFGHHJ-JTQLQIEISA-N 0 3 391.225 2.081 20 30 GEEDHN C=CCN1CCC(NC(=O)c2nscc2I)CC1 ZINC000906594372 654451725 /nfs/dbraw/zinc/45/17/25/654451725.db2.gz ZOWFNVHPORHORS-UHFFFAOYSA-N 0 3 377.251 2.128 20 30 GEEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)C2)s1 ZINC000907344186 654533807 /nfs/dbraw/zinc/53/38/07/654533807.db2.gz CVUSJUSIKSHCJW-GDBMZVCRSA-N 0 3 384.571 2.147 20 30 GEEDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3I)[C@H]2C1 ZINC000932548094 654781039 /nfs/dbraw/zinc/78/10/39/654781039.db2.gz YYEDQIYAQHGKJX-RISCZKNCSA-N 0 3 396.232 2.331 20 30 GEEDHN C#CCNC(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942523 654795032 /nfs/dbraw/zinc/79/50/32/654795032.db2.gz HTHOINVIWSBPIV-IUCAKERBSA-N 0 3 378.263 2.229 20 30 GEEDHN N#CC1(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)CCC1 ZINC001164736715 720695396 /nfs/dbraw/zinc/69/53/96/720695396.db2.gz APPFHXOUZHHNPO-ROUUACIJSA-N 0 3 376.464 2.159 20 30 GEEDHN C[Si](C)(C)C#Cc1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738060 720728283 /nfs/dbraw/zinc/72/82/83/720728283.db2.gz DONVZIGLKDOLMR-RTBURBONSA-N 0 3 393.567 2.442 20 30 GEEDHN C=CCOc1cc(C)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866970 721092930 /nfs/dbraw/zinc/09/29/30/721092930.db2.gz WAQSIEWOHAIBQP-MOPGFXCFSA-N 0 3 381.480 2.225 20 30 GEEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155256741 531668670 /nfs/dbraw/zinc/66/86/70/531668670.db2.gz ZOGYEGXOUHQPNC-CQSZACIVSA-N 0 3 386.315 2.426 20 30 GEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000122553221 532074742 /nfs/dbraw/zinc/07/47/42/532074742.db2.gz VQYBLVTYXGUJPC-GFCCVEGCSA-N 0 3 380.491 2.424 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CCN(C)C ZINC000176812882 532150344 /nfs/dbraw/zinc/15/03/44/532150344.db2.gz VDEWPILCJMSCDZ-UHFFFAOYSA-N 0 3 384.274 2.118 20 30 GEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)nc1 ZINC000176781866 532149733 /nfs/dbraw/zinc/14/97/33/532149733.db2.gz HNOHWLHRWZVAON-UHFFFAOYSA-N 0 3 378.420 2.238 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CSCCS1 ZINC000132364242 532213946 /nfs/dbraw/zinc/21/39/46/532213946.db2.gz STIFGWPYQRFYLT-KRWDZBQOSA-N 0 3 378.567 2.480 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000179426825 532231504 /nfs/dbraw/zinc/23/15/04/532231504.db2.gz DOHISMIEVKNXIY-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN N#Cc1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)c(Br)c1 ZINC000181080818 532290865 /nfs/dbraw/zinc/29/08/65/532290865.db2.gz FSKITAIXLRBAOG-UHFFFAOYSA-N 0 3 391.313 2.061 20 30 GEEDHN C[C@H]1CSCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000190482605 532356251 /nfs/dbraw/zinc/35/62/51/532356251.db2.gz RDFUGHVJYZQUJX-CVEARBPZSA-N 0 3 378.567 2.142 20 30 GEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294809540 532383997 /nfs/dbraw/zinc/38/39/97/532383997.db2.gz PPCNMIJXRPGFMJ-LBPRGKRZSA-N 0 3 393.285 2.059 20 30 GEEDHN Cc1c(NC(=O)C(=O)NCC2(N(C)C)CCC2)ccc(Br)c1C#N ZINC000425765517 532394218 /nfs/dbraw/zinc/39/42/18/532394218.db2.gz ITAUKYHVUCLIRH-UHFFFAOYSA-N 0 3 393.285 2.168 20 30 GEEDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000591413706 532411215 /nfs/dbraw/zinc/41/12/15/532411215.db2.gz YPQJGNWMYAKZSE-CYBMUJFWSA-N 0 3 393.285 2.250 20 30 GEEDHN C[C@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1C ZINC000592767272 532461970 /nfs/dbraw/zinc/46/19/70/532461970.db2.gz SGXSAXXQADWEDG-BLLLJJGKSA-N 0 3 391.313 2.356 20 30 GEEDHN CCN1CCC[C@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592747742 532459660 /nfs/dbraw/zinc/45/96/60/532459660.db2.gz LSCFCEKLQFIQBI-INIZCTEOSA-N 0 3 391.313 2.357 20 30 GEEDHN CN1CCN(CCCCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000562289444 532460960 /nfs/dbraw/zinc/46/09/60/532460960.db2.gz BPPJNZRYPSFQIX-UHFFFAOYSA-N 0 3 394.317 2.470 20 30 GEEDHN CS(=O)(=O)c1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1C(F)(F)F ZINC000600735947 532681505 /nfs/dbraw/zinc/68/15/05/532681505.db2.gz WOINZKYXADFMCH-LBPRGKRZSA-N 0 3 376.400 2.253 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000286493814 532750910 /nfs/dbraw/zinc/75/09/10/532750910.db2.gz MTHFUNANXLDYMW-CYBMUJFWSA-N 0 3 394.313 2.393 20 30 GEEDHN C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)CN1CCN(C)CC1 ZINC000287227866 532786828 /nfs/dbraw/zinc/78/68/28/532786828.db2.gz NRACQSFLCBXNAL-CYBMUJFWSA-N 0 3 394.317 2.326 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000330662322 532824293 /nfs/dbraw/zinc/82/42/93/532824293.db2.gz CZSVWUUAPISGAQ-UHFFFAOYSA-N 0 3 386.315 2.475 20 30 GEEDHN CCN1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330675366 532824878 /nfs/dbraw/zinc/82/48/78/532824878.db2.gz SCJADWHOVLZRLU-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)Cc1cccc(C#N)c1 ZINC000289149387 532848621 /nfs/dbraw/zinc/84/86/21/532848621.db2.gz MVXKBSJALYHLQB-CYBMUJFWSA-N 0 3 378.372 2.204 20 30 GEEDHN [NH3+]CC[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000415839728 532859909 /nfs/dbraw/zinc/85/99/09/532859909.db2.gz ORTNPZYBBQCILI-VIFPVBQESA-N 0 3 375.244 2.179 20 30 GEEDHN [NH3+]CC[C@@H]([N-]C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000415839150 532859916 /nfs/dbraw/zinc/85/99/16/532859916.db2.gz OICFFYKRYZYBIM-SECBINFHSA-N 0 3 375.244 2.179 20 30 GEEDHN N#Cc1ncn(CCNCc2cc(Br)cc(Br)c2)n1 ZINC000289956479 532869007 /nfs/dbraw/zinc/86/90/07/532869007.db2.gz CFDRVSQIIHAMMK-UHFFFAOYSA-N 0 3 385.063 2.465 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)cc1Cl ZINC000364187230 532904433 /nfs/dbraw/zinc/90/44/33/532904433.db2.gz ZZOGNDVJBFLMQV-DOTOQJQBSA-N 0 3 379.844 2.466 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000364208380 532904907 /nfs/dbraw/zinc/90/49/07/532904907.db2.gz RPTDMYISLPUHED-MRXNPFEDSA-N 0 3 390.325 2.489 20 30 GEEDHN N#Cc1c(Br)cccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000368177629 532930525 /nfs/dbraw/zinc/93/05/25/532930525.db2.gz QPKDYWFBQWKXMP-MRXNPFEDSA-N 0 3 377.286 2.239 20 30 GEEDHN C=CC[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819750646 599541218 /nfs/dbraw/zinc/54/12/18/599541218.db2.gz IGUGFORMJABZIA-UHFFFAOYSA-N 0 3 380.412 2.385 20 30 GEEDHN N#Cc1ccc([C@H](O)CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822826427 606896259 /nfs/dbraw/zinc/89/62/59/606896259.db2.gz XTTQVUHGRHONCS-HXUWFJFHSA-N 0 3 390.447 2.315 20 30 GEEDHN CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CN2CCC1CC2 ZINC000449865596 650054681 /nfs/dbraw/zinc/05/46/81/650054681.db2.gz VSUCKSSYGBANFJ-MRXNPFEDSA-N 0 3 378.270 2.252 20 30 GEEDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000450077989 650059525 /nfs/dbraw/zinc/05/95/25/650059525.db2.gz VOEXMISDSRMPEP-DGCLKSJQSA-N 0 3 378.270 2.441 20 30 GEEDHN C=CCN1CCC(NC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000487159597 650730003 /nfs/dbraw/zinc/73/00/03/650730003.db2.gz SIZHGZFIWFFMBM-UHFFFAOYSA-N 0 3 395.301 2.337 20 30 GEEDHN N#Cc1ccc(NCCCCN2CCN(CCO)CC2)c(Br)c1 ZINC000119195673 643540871 /nfs/dbraw/zinc/54/08/71/643540871.db2.gz PDMVMFWLLDQRLF-UHFFFAOYSA-N 0 3 381.318 2.123 20 30 GEEDHN N#CC(C(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000123458762 643671801 /nfs/dbraw/zinc/67/18/01/643671801.db2.gz DGKSLNGIXSVVMQ-NSHDSACASA-N 0 3 382.163 2.446 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000124225168 643683156 /nfs/dbraw/zinc/68/31/56/643683156.db2.gz WPHAGKQGIXTXDC-SWLSCSKDSA-N 0 3 397.269 2.468 20 30 GEEDHN CC[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000127162168 643760666 /nfs/dbraw/zinc/76/06/66/643760666.db2.gz BOHYGRNQGHVTSU-SJORKVTESA-N 0 3 393.329 2.498 20 30 GEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000129437851 643822430 /nfs/dbraw/zinc/82/24/30/643822430.db2.gz CWDMESITOXVIBM-CABCVRRESA-N 0 3 392.253 2.004 20 30 GEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000130885053 643854165 /nfs/dbraw/zinc/85/41/65/643854165.db2.gz QTMRKTPFKWPLRU-LSDHHAIUSA-N 0 3 394.269 2.250 20 30 GEEDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000159030918 644173148 /nfs/dbraw/zinc/17/31/48/644173148.db2.gz CAGCMNDIGORNIT-ZDUSSCGKSA-N 0 3 379.507 2.416 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000278611830 646530635 /nfs/dbraw/zinc/53/06/35/646530635.db2.gz BPSYBBWBIKRMLZ-XJKSGUPXSA-N 0 3 398.326 2.426 20 30 GEEDHN C#CCSCCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280556757 646694926 /nfs/dbraw/zinc/69/49/26/646694926.db2.gz JFAIDAQZIZGGPM-SNVBAGLBSA-N 0 3 377.329 2.114 20 30 GEEDHN COC(=O)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Br)cc1 ZINC000424088470 648611796 /nfs/dbraw/zinc/61/17/96/648611796.db2.gz JGOZJPHUBZVRCP-ZIAGYGMSSA-N 0 3 382.258 2.191 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000570392479 651764665 /nfs/dbraw/zinc/76/46/65/651764665.db2.gz JPOHBQZNIVVZNY-GFCCVEGCSA-N 0 3 380.221 2.938 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2I)CC1 ZINC000758072938 652530158 /nfs/dbraw/zinc/53/01/58/652530158.db2.gz UYGREBRHRXAQSO-UHFFFAOYSA-N 0 3 385.249 2.457 20 30 GEEDHN Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H](N)CCCCC#N ZINC000594436453 652649046 /nfs/dbraw/zinc/64/90/46/652649046.db2.gz JHBFDKVZGNTZAO-ZDUSSCGKSA-N 0 3 381.274 2.224 20 30 GEEDHN COc1cc(CNC(=O)[C@H](N)CCCCC#N)cc(Br)c1OC ZINC000594436062 652649206 /nfs/dbraw/zinc/64/92/06/652649206.db2.gz HHOBFHOARKMVQB-CYBMUJFWSA-N 0 3 384.274 2.494 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000594440786 652649839 /nfs/dbraw/zinc/64/98/39/652649839.db2.gz ZLTKHNPMUDQLJP-OAHLLOKOSA-N 0 3 395.301 2.096 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccc(I)cc1 ZINC000595258855 652711799 /nfs/dbraw/zinc/71/17/99/652711799.db2.gz FDFVYFSSTCQUPF-AWEZNQCLSA-N 0 3 385.249 2.361 20 30 GEEDHN C=CCN1CCC(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640384881 653124213 /nfs/dbraw/zinc/12/42/13/653124213.db2.gz VPEBJTBLRKNUDN-UHFFFAOYSA-N 0 3 385.362 2.964 20 30 GEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823605 653338434 /nfs/dbraw/zinc/33/84/34/653338434.db2.gz BFZZVIAGYGNCAK-HZPDHXFCSA-N 0 3 378.270 2.395 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000876635352 653439671 /nfs/dbraw/zinc/43/96/71/653439671.db2.gz VNDLLUFNRBKVLB-CYBMUJFWSA-N 0 3 388.693 2.155 20 30 GEEDHN CN(C[C@H](O)c1ccccc1Br)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859327461 653441858 /nfs/dbraw/zinc/44/18/58/653441858.db2.gz SDIVKSMSWWOPEG-YOEHRIQHSA-N 0 3 397.313 2.486 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000876785253 653447894 /nfs/dbraw/zinc/44/78/94/653447894.db2.gz RVEJLLFUCDEEHM-UKRRQHHQSA-N 0 3 386.949 2.355 20 30 GEEDHN C#CCN(C)CCCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000818588708 653734080 /nfs/dbraw/zinc/73/40/80/653734080.db2.gz CPRMFJYODCGWPR-UHFFFAOYSA-N 0 3 381.929 2.325 20 30 GEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)Oc1ccccc1Br ZINC000884155541 653866277 /nfs/dbraw/zinc/86/62/77/653866277.db2.gz FFOJYLFNRKMHML-CZJPOVKDSA-N 0 3 392.297 2.472 20 30 GEEDHN C#CCN(C(=O)C(F)(F)c1ncccc1Br)C1CCN(C)CC1 ZINC000886572521 653992052 /nfs/dbraw/zinc/99/20/52/653992052.db2.gz OYZOYDNQQZRRNI-UHFFFAOYSA-N 0 3 386.240 2.492 20 30 GEEDHN C#CCN(C(=O)[C@@H]1COc2ccc(Br)cc21)C1CCN(C)CC1 ZINC000886579711 653992642 /nfs/dbraw/zinc/99/26/42/653992642.db2.gz FZISDXRRCWOELB-MRXNPFEDSA-N 0 3 377.282 2.481 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000827642456 654001538 /nfs/dbraw/zinc/00/15/38/654001538.db2.gz DBXNWGVRIMFNCN-UHFFFAOYSA-N 0 3 393.734 2.477 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000827643028 654001628 /nfs/dbraw/zinc/00/16/28/654001628.db2.gz JHWZCOGMIWIQOD-UHFFFAOYSA-N 0 3 398.326 2.174 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1C(C)=O ZINC000796799018 654008382 /nfs/dbraw/zinc/00/83/82/654008382.db2.gz PCGKKWYCCZRYJE-CYBMUJFWSA-N 0 3 379.210 2.042 20 30 GEEDHN COC(=O)[C@H]1CSCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000887075363 654019775 /nfs/dbraw/zinc/01/97/75/654019775.db2.gz CVEGCFHNNHMXAG-DGCLKSJQSA-N 0 3 375.475 2.063 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246973 654319582 /nfs/dbraw/zinc/31/95/82/654319582.db2.gz IDMFQNIYXBBFRA-QGZVFWFLSA-N 0 3 378.881 2.179 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000922632123 654404913 /nfs/dbraw/zinc/40/49/13/654404913.db2.gz YYCCREBKLKZCOP-OAHLLOKOSA-N 0 3 394.317 2.431 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906592026 654451922 /nfs/dbraw/zinc/45/19/22/654451922.db2.gz JOGYACMVXHIFSF-UHFFFAOYSA-N 0 3 380.286 2.326 20 30 GEEDHN N#Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)ccc1Br ZINC000906832802 654477328 /nfs/dbraw/zinc/47/73/28/654477328.db2.gz CYZIOFQDJZYPKH-LLVKDONJSA-N 0 3 384.299 2.083 20 30 GEEDHN C#CCNC(=O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942517 654794996 /nfs/dbraw/zinc/79/49/96/654794996.db2.gz HTHOINVIWSBPIV-DTORHVGOSA-N 0 3 378.263 2.229 20 30 GEEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCC2 ZINC001164877654 721144699 /nfs/dbraw/zinc/14/46/99/721144699.db2.gz PPCMELRBBKLISL-UXHICEINSA-N 0 3 375.476 2.317 20 30 GEEDHN C=CCNC(=O)NC(=O)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000054394213 531778134 /nfs/dbraw/zinc/77/81/34/531778134.db2.gz WBRXEDBYYPMEAZ-UHFFFAOYSA-N 0 3 396.285 2.056 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000177005391 532158855 /nfs/dbraw/zinc/15/88/55/532158855.db2.gz HDJSODFHUFCLCY-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN CN(C)CCNC(=O)C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191810932 532368081 /nfs/dbraw/zinc/36/80/81/532368081.db2.gz DZDRRKZWDKCOJS-UHFFFAOYSA-N 0 3 393.329 2.211 20 30 GEEDHN C=C(C)CNC(=O)C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425776590 532395244 /nfs/dbraw/zinc/39/52/44/532395244.db2.gz YVOFBWVVSAIQEX-UHFFFAOYSA-N 0 3 397.317 2.078 20 30 GEEDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc(Br)c1C#N ZINC000425733060 532391256 /nfs/dbraw/zinc/39/12/56/532391256.db2.gz AEVSRFTXOGAPCD-CMPLNLGQSA-N 0 3 393.285 2.167 20 30 GEEDHN Cc1c(NC(=O)C(=O)N[C@H](C)CN(C)C(C)C)ccc(Br)c1C#N ZINC000425792004 532397402 /nfs/dbraw/zinc/39/74/02/532397402.db2.gz XQMIRRSOZMZYRM-LLVKDONJSA-N 0 3 395.301 2.413 20 30 GEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Br)cc1C#N ZINC000295135985 532407519 /nfs/dbraw/zinc/40/75/19/532407519.db2.gz DANIYAPIBSQLRD-CYBMUJFWSA-N 0 3 379.302 2.077 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000592753265 532458851 /nfs/dbraw/zinc/45/88/51/532458851.db2.gz MFHLIFHPPMGNNR-OAHLLOKOSA-N 0 3 389.297 2.110 20 30 GEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ncc(Br)cc1C#N ZINC000295581224 532460489 /nfs/dbraw/zinc/46/04/89/532460489.db2.gz SAUUTVQFQLARMC-AWEZNQCLSA-N 0 3 380.290 2.070 20 30 GEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncc(Br)cc1C#N ZINC000295581226 532460771 /nfs/dbraw/zinc/46/07/71/532460771.db2.gz SAUUTVQFQLARMC-CQSZACIVSA-N 0 3 380.290 2.070 20 30 GEEDHN Cn1cc(Br)cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1=O ZINC000471054832 532540964 /nfs/dbraw/zinc/54/09/64/532540964.db2.gz CROMDNLNKIDRLF-CYBMUJFWSA-N 0 3 385.221 2.340 20 30 GEEDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000595088446 532543527 /nfs/dbraw/zinc/54/35/27/532543527.db2.gz CDFXQQYIBSUBLH-CYBMUJFWSA-N 0 3 393.285 2.248 20 30 GEEDHN CSC[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000246012394 532529728 /nfs/dbraw/zinc/52/97/28/532529728.db2.gz YTYMQMMLPNPMRX-HZPDHXFCSA-N 0 3 378.567 2.284 20 30 GEEDHN C[C@H]1CSCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000249076692 532560422 /nfs/dbraw/zinc/56/04/22/532560422.db2.gz RDFUGHVJYZQUJX-HZPDHXFCSA-N 0 3 378.567 2.142 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)c2ccsc2)cc1 ZINC000481043639 532665403 /nfs/dbraw/zinc/66/54/03/532665403.db2.gz WWTJZRQOZRDVDG-XHDPSFHLSA-N 0 3 379.463 2.289 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)c2ccsc2)cc1 ZINC000481043635 532665610 /nfs/dbraw/zinc/66/56/10/532665610.db2.gz WWTJZRQOZRDVDG-IAQYHMDHSA-N 0 3 379.463 2.289 20 30 GEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000600734837 532679395 /nfs/dbraw/zinc/67/93/95/532679395.db2.gz QPHGCBKCQDGFJM-LSDHHAIUSA-N 0 3 378.270 2.199 20 30 GEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(I)cc1C ZINC000451608447 532766445 /nfs/dbraw/zinc/76/64/45/532766445.db2.gz SEWSJLUQLCDDQS-KGLIPLIRSA-N 0 3 386.233 2.471 20 30 GEEDHN Cc1nc(N2CCN(C(=O)NC[C@]3(N(C)C)CCSC3)CC2)sc1C ZINC000328664959 532794444 /nfs/dbraw/zinc/79/44/44/532794444.db2.gz CCACPPUVPWYPBG-QGZVFWFLSA-N 0 3 383.587 2.233 20 30 GEEDHN Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CN4CCN3CCC4)nc12 ZINC000329564692 532808611 /nfs/dbraw/zinc/80/86/11/532808611.db2.gz KGMKIJXKKRKBQC-OAHLLOKOSA-N 0 3 392.301 2.252 20 30 GEEDHN CC(C(=O)NCCN1CCc2sccc2C1)S(=O)(=O)C1CCOCC1 ZINC000330159449 532815206 /nfs/dbraw/zinc/81/52/06/532815206.db2.gz QOLLPWBFAXYJBK-CYBMUJFWSA-N 0 3 386.539 2.045 20 30 GEEDHN O=C(NC[C@@H]1CCCCN1CCO)c1ccccc1I ZINC000331291641 532837170 /nfs/dbraw/zinc/83/71/70/532837170.db2.gz BLXUCBRJSUCIAQ-LBPRGKRZSA-N 0 3 388.249 2.443 20 30 GEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000289011625 532844523 /nfs/dbraw/zinc/84/45/23/532844523.db2.gz ZVBYUNAQAVEGEA-UHFFFAOYSA-N 0 3 381.274 2.107 20 30 GEEDHN [NH3+]CC[C@@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000415839727 532859828 /nfs/dbraw/zinc/85/98/28/532859828.db2.gz ORTNPZYBBQCILI-SECBINFHSA-N 0 3 375.244 2.179 20 30 GEEDHN CN1CC[C@@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000333144526 532864703 /nfs/dbraw/zinc/86/47/03/532864703.db2.gz ZLUFIJILQWFHOB-QGZVFWFLSA-N 0 3 378.270 2.254 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000416368997 532872010 /nfs/dbraw/zinc/87/20/10/532872010.db2.gz IGBAMPOBBJNFHG-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292064878 532912428 /nfs/dbraw/zinc/91/24/28/532912428.db2.gz PDFJQCISLBWJBB-OAHLLOKOSA-N 0 3 384.299 2.037 20 30 GEEDHN N#Cc1ccc(S(N)(=O)=O)cc1NC1CCN(Cc2cccs2)CC1 ZINC000367717451 532926660 /nfs/dbraw/zinc/92/66/60/532926660.db2.gz TUFUEELVTIYWBX-UHFFFAOYSA-N 0 3 376.507 2.344 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000735420915 598302787 /nfs/dbraw/zinc/30/27/87/598302787.db2.gz VSYCGCNWIWCSST-UHFFFAOYSA-N 0 3 383.500 2.296 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000735420915 598302788 /nfs/dbraw/zinc/30/27/88/598302788.db2.gz VSYCGCNWIWCSST-UHFFFAOYSA-N 0 3 383.500 2.296 20 30 GEEDHN C=C(C)C[NH+]1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000735399725 598361772 /nfs/dbraw/zinc/36/17/72/598361772.db2.gz UCJPJBFACNYVHE-UHFFFAOYSA-N 0 3 395.467 2.329 20 30 GEEDHN N#CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000737696295 598537795 /nfs/dbraw/zinc/53/77/95/598537795.db2.gz PZCOKFDFZYCQQZ-UHFFFAOYSA-N 0 3 389.463 2.481 20 30 GEEDHN N#CCOc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000737696295 598537797 /nfs/dbraw/zinc/53/77/97/598537797.db2.gz PZCOKFDFZYCQQZ-UHFFFAOYSA-N 0 3 389.463 2.481 20 30 GEEDHN N#CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000737696295 598537798 /nfs/dbraw/zinc/53/77/98/598537798.db2.gz PZCOKFDFZYCQQZ-UHFFFAOYSA-N 0 3 389.463 2.481 20 30 GEEDHN N#CCOc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000737696295 598537800 /nfs/dbraw/zinc/53/78/00/598537800.db2.gz PZCOKFDFZYCQQZ-UHFFFAOYSA-N 0 3 389.463 2.481 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000735418652 598731920 /nfs/dbraw/zinc/73/19/20/598731920.db2.gz HXIQQWRRXYLOFI-GOSISDBHSA-N 0 3 383.500 2.439 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000735418652 598731921 /nfs/dbraw/zinc/73/19/21/598731921.db2.gz HXIQQWRRXYLOFI-GOSISDBHSA-N 0 3 383.500 2.439 20 30 GEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000468920605 650507982 /nfs/dbraw/zinc/50/79/82/650507982.db2.gz HOCJFVRYLGXHTE-FZMZJTMJSA-N 0 3 383.279 2.084 20 30 GEEDHN C#CCN1CCC(C(=O)NC(C)(C)COc2ncccc2Br)CC1 ZINC000154550047 644051398 /nfs/dbraw/zinc/05/13/98/644051398.db2.gz JCWMROVDZPNOJN-UHFFFAOYSA-N 0 3 394.313 2.463 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(Br)ccc1OC ZINC000173934777 644364251 /nfs/dbraw/zinc/36/42/51/644364251.db2.gz GEJNJDYENYYRDV-CQSZACIVSA-N 0 3 397.269 2.252 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000188110309 645108349 /nfs/dbraw/zinc/10/83/49/645108349.db2.gz TUGXVAKUFMKARV-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN C=C(Br)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192358949 645200743 /nfs/dbraw/zinc/20/07/43/645200743.db2.gz XPRLSBWMAJXAOY-MRXNPFEDSA-N 0 3 382.302 2.485 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2ncc(F)cc2I)CC1 ZINC000272162772 646258626 /nfs/dbraw/zinc/25/86/26/646258626.db2.gz OSXWKKBURWGCTD-UHFFFAOYSA-N 0 3 387.196 2.109 20 30 GEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047426 646299121 /nfs/dbraw/zinc/29/91/21/646299121.db2.gz DTTLRLINHLVUGD-FUHWJXTLSA-N 0 3 391.265 2.384 20 30 GEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047424 646299194 /nfs/dbraw/zinc/29/91/94/646299194.db2.gz DTTLRLINHLVUGD-AEFFLSMTSA-N 0 3 391.265 2.384 20 30 GEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716309 646542779 /nfs/dbraw/zinc/54/27/79/646542779.db2.gz IGWBFDKHZCPLOG-CJNGLKHVSA-N 0 3 398.326 2.426 20 30 GEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409188 648115105 /nfs/dbraw/zinc/11/51/05/648115105.db2.gz UHRMFNWCZXXBTH-RISCZKNCSA-N 0 3 386.315 2.281 20 30 GEEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419641257 648358744 /nfs/dbraw/zinc/35/87/44/648358744.db2.gz HTPOIXLDRAJRBD-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](N)CCCC#N ZINC000424112931 648613745 /nfs/dbraw/zinc/61/37/45/648613745.db2.gz LGRFXBIVLFQJGI-CYBMUJFWSA-N 0 3 381.274 2.224 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(I)s1 ZINC000424118037 648614251 /nfs/dbraw/zinc/61/42/51/648614251.db2.gz ZQZGHYUEZUNGGA-SNVBAGLBSA-N 0 3 377.251 2.033 20 30 GEEDHN N#Cc1ccc(Cn2cc([C@H](N)C3CCOCC3)nn2)c(Br)c1 ZINC000603244868 651473980 /nfs/dbraw/zinc/47/39/80/651473980.db2.gz WFOMBYLJESKMAG-MRXNPFEDSA-N 0 3 376.258 2.387 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000563540188 651531517 /nfs/dbraw/zinc/53/15/17/651531517.db2.gz JMZSXPFQVJJEEG-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000611394517 651722603 /nfs/dbraw/zinc/72/26/03/651722603.db2.gz OUZFCNYAYIXGFL-RDJZCZTQSA-N 0 3 376.503 2.422 20 30 GEEDHN C=CCN(CC=C)C(=O)CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795030 652371184 /nfs/dbraw/zinc/37/11/84/652371184.db2.gz PZTWPIKXZIIAKK-LJQANCHMSA-N 0 3 393.325 2.459 20 30 GEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593134183 652615421 /nfs/dbraw/zinc/61/54/21/652615421.db2.gz VZVWPYORBVFJSJ-CQSZACIVSA-N 0 3 393.329 2.005 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](N)CCCCC#N ZINC000594428546 652648645 /nfs/dbraw/zinc/64/86/45/652648645.db2.gz ZFGOUVMEHYRKOU-CYBMUJFWSA-N 0 3 381.274 2.224 20 30 GEEDHN Cc1cc(NC(=O)CNC(=O)[C@@H](N)CCCCC#N)ccc1Br ZINC000594439278 652649867 /nfs/dbraw/zinc/64/98/67/652649867.db2.gz PBZLIWQHYODWMU-AWEZNQCLSA-N 0 3 381.274 2.224 20 30 GEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H](CO)c1cccc(Br)c1 ZINC000599356153 652863614 /nfs/dbraw/zinc/86/36/14/652863614.db2.gz ADPMATVLRWHIMT-IAGOWNOFSA-N 0 3 391.265 2.384 20 30 GEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000599357683 652863648 /nfs/dbraw/zinc/86/36/48/652863648.db2.gz WBNIZDRWOKSYOE-IRXDYDNUSA-N 0 3 391.265 2.384 20 30 GEEDHN Cc1ccc(Br)c2ncc(C#N)c(N3CCN4C[C@H](O)C[C@H]4C3)c12 ZINC000601186951 653082787 /nfs/dbraw/zinc/08/27/87/653082787.db2.gz IEOOFRHISZOUCE-UONOGXRCSA-N 0 3 387.281 2.433 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000836489412 653356123 /nfs/dbraw/zinc/35/61/23/653356123.db2.gz ZRUCQITZUMWXIT-QGZVFWFLSA-N 0 3 394.313 2.487 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662964 653441847 /nfs/dbraw/zinc/44/18/47/653441847.db2.gz UNOYBNAIVFXCEX-QWHCGFSZSA-N 0 3 375.778 2.397 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000876785254 653447959 /nfs/dbraw/zinc/44/79/59/653447959.db2.gz RVEJLLFUCDEEHM-ZFWWWQNUSA-N 0 3 386.949 2.355 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000876894869 653452798 /nfs/dbraw/zinc/45/27/98/653452798.db2.gz YATICXVKUUSRSW-STQMWFEESA-N 0 3 375.778 2.175 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107291 653463048 /nfs/dbraw/zinc/46/30/48/653463048.db2.gz ONCBPFJCIMJINZ-VIFPVBQESA-N 0 3 387.186 2.307 20 30 GEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)CCCC#N)nc1C ZINC000818055045 653724749 /nfs/dbraw/zinc/72/47/49/653724749.db2.gz VBIBDLOGPKTYQW-SNVBAGLBSA-N 0 3 377.499 2.144 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCOc3ccc(Br)cc3C1)C2 ZINC000884334687 653872750 /nfs/dbraw/zinc/87/27/50/653872750.db2.gz YOJVABIHQFKCLX-FVRSWCFKSA-N 0 3 390.281 2.309 20 30 GEEDHN Cn1c(Cl)cnc1-c1csc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)n1 ZINC000884399937 653875474 /nfs/dbraw/zinc/87/54/74/653875474.db2.gz RVDJAQORACUHTE-IAZHFHGHSA-N 0 3 376.873 2.275 20 30 GEEDHN C#CCN(C(=O)/C=C\c1ccc(I)o1)C1CCN(C)CC1 ZINC000886572785 653992208 /nfs/dbraw/zinc/99/22/08/653992208.db2.gz ZWXNOEYMVOMOFZ-ALCCZGGFSA-N 0 3 398.244 2.453 20 30 GEEDHN N#CC(C(=O)NC1CC1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000918486450 654152434 /nfs/dbraw/zinc/15/24/34/654152434.db2.gz HZCNPDLIAUJOJS-LBPRGKRZSA-N 0 3 379.869 2.241 20 30 GEEDHN C[C@@H](C#N)OCCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930240 654212806 /nfs/dbraw/zinc/21/28/06/654212806.db2.gz KBKWPWIRUJFHQC-STQMWFEESA-N 0 3 381.274 2.423 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246971 654319354 /nfs/dbraw/zinc/31/93/54/654319354.db2.gz IDMFQNIYXBBFRA-KRWDZBQOSA-N 0 3 378.881 2.179 20 30 GEEDHN C#CCN(C(=O)NCCCCn1cc(Br)cn1)C1CCN(C)CC1 ZINC000922262970 654380005 /nfs/dbraw/zinc/38/00/05/654380005.db2.gz MSZYTNFLIFULJG-UHFFFAOYSA-N 0 3 396.333 2.165 20 30 GEEDHN N#Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)ccc1Br ZINC000906832803 654477484 /nfs/dbraw/zinc/47/74/84/654477484.db2.gz CYZIOFQDJZYPKH-NSHDSACASA-N 0 3 384.299 2.083 20 30 GEEDHN C#CC1(O)CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000931142959 654730600 /nfs/dbraw/zinc/73/06/00/654730600.db2.gz BYXJMBAKARXAHZ-CYBMUJFWSA-N 0 3 388.689 2.302 20 30 GEEDHN N#Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1Br ZINC000931380485 654740338 /nfs/dbraw/zinc/74/03/38/654740338.db2.gz PSBDOOFXXNKLPL-JKSUJKDBSA-N 0 3 393.285 2.384 20 30 GEEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2I)CCN1C ZINC000932547247 654780965 /nfs/dbraw/zinc/78/09/65/654780965.db2.gz GHRPZQIAWUEBJU-JOYOIKCWSA-N 0 3 384.221 2.377 20 30 GEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436743 654812913 /nfs/dbraw/zinc/81/29/13/654812913.db2.gz HCBLAVCYCGQPBP-KSSFIOAISA-N 0 3 396.329 2.340 20 30 GEEDHN C[C@@H]1CSCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000934304890 654843674 /nfs/dbraw/zinc/84/36/74/654843674.db2.gz UWLLKJWRPIMXES-HZPDHXFCSA-N 0 3 378.567 2.284 20 30 GEEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc12 ZINC001164902796 721546969 /nfs/dbraw/zinc/54/69/69/721546969.db2.gz BFKHQJFVMVOQMJ-WBVHZDCISA-N 0 3 378.411 2.311 20 30 GEEDHN CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909775 721564660 /nfs/dbraw/zinc/56/46/60/721564660.db2.gz UWBCPOVVRNYBFD-WBVHZDCISA-N 0 3 392.438 2.263 20 30 GEEDHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164985873 722100107 /nfs/dbraw/zinc/10/01/07/722100107.db2.gz XHOXARFWCTZOIW-XLIONFOSSA-N 0 3 379.464 2.084 20 30 GEEDHN COc1cc(C#N)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978331 722121536 /nfs/dbraw/zinc/12/15/36/722121536.db2.gz OKUIGWYTXAFQLJ-YLJYHZDGSA-N 0 3 379.464 2.084 20 30 GEEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155170004 531661874 /nfs/dbraw/zinc/66/18/74/531661874.db2.gz XDIQBUHTWFPYJJ-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1 ZINC000155235832 531666205 /nfs/dbraw/zinc/66/62/05/531666205.db2.gz AWSQZRAUJDUUIF-ZDUSSCGKSA-N 0 3 398.326 2.427 20 30 GEEDHN N#Cc1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(Br)c1 ZINC000160787331 531817475 /nfs/dbraw/zinc/81/74/75/531817475.db2.gz MZWIAXILOUCJML-MRXNPFEDSA-N 0 3 377.286 2.239 20 30 GEEDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294852893 532387401 /nfs/dbraw/zinc/38/74/01/532387401.db2.gz BLLHSVTZWZESLG-LLVKDONJSA-N 0 3 381.274 2.104 20 30 GEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C ZINC000294860640 532387644 /nfs/dbraw/zinc/38/76/44/532387644.db2.gz SYYYHGMOXOBYAD-RISCZKNCSA-N 0 3 393.285 2.200 20 30 GEEDHN Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)ccc(Br)c1C#N ZINC000425773605 532393441 /nfs/dbraw/zinc/39/34/41/532393441.db2.gz XRPZKPHPVQSEEV-LBPRGKRZSA-N 0 3 393.285 2.120 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)nn1C ZINC000192309925 532401565 /nfs/dbraw/zinc/40/15/65/532401565.db2.gz ZJWXZGQGPKCGTO-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN CN(C)CCn1nccc1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593165521 532473150 /nfs/dbraw/zinc/47/31/50/532473150.db2.gz LGDJNZOSNVOVKC-UHFFFAOYSA-N 0 3 376.258 2.260 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000563035296 532495450 /nfs/dbraw/zinc/49/54/50/532495450.db2.gz TZJRMCIWQKUQMS-ZDUSSCGKSA-N 0 3 385.331 2.176 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000521646692 532517726 /nfs/dbraw/zinc/51/77/26/532517726.db2.gz XYICUAPASPAXER-OAHLLOKOSA-N 0 3 395.276 2.203 20 30 GEEDHN N#Cc1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1Br ZINC000376618601 532621796 /nfs/dbraw/zinc/62/17/96/532621796.db2.gz PEHFZNAPRSJSPA-KGLIPLIRSA-N 0 3 379.258 2.305 20 30 GEEDHN C=CCCn1cc(CNc2cc(N3CCOCC3)c(Br)cn2)nn1 ZINC000656776618 532631438 /nfs/dbraw/zinc/63/14/38/532631438.db2.gz LMXPHCDZGPCSJO-UHFFFAOYSA-N 0 3 393.289 2.460 20 30 GEEDHN C[C@H](NC(=O)COc1cccc(Br)c1C#N)C1=CCN(C)CC1 ZINC000450755488 532759726 /nfs/dbraw/zinc/75/97/26/532759726.db2.gz JMDZDBNYZVFJKC-LBPRGKRZSA-N 0 3 378.270 2.466 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000411142950 532748896 /nfs/dbraw/zinc/74/88/96/532748896.db2.gz LODTUWHKTYGNCY-NSHDSACASA-N 0 3 384.274 2.019 20 30 GEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709608 532807481 /nfs/dbraw/zinc/80/74/81/532807481.db2.gz GEZOUHFRWDESSC-DOMZBBRYSA-N 0 3 398.326 2.426 20 30 GEEDHN CN(C)c1ncc(Br)cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000330416365 532817877 /nfs/dbraw/zinc/81/78/77/532817877.db2.gz OACSQFNQPZKUGF-UHFFFAOYSA-N 0 3 398.349 2.241 20 30 GEEDHN C=CCS(=O)(=O)CCN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000272924887 532819933 /nfs/dbraw/zinc/81/99/33/532819933.db2.gz YNVWLYLQAGKRKL-GFCCVEGCSA-N 0 3 389.315 2.357 20 30 GEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCn2cc(Br)cn2)cc1 ZINC000288269939 532822951 /nfs/dbraw/zinc/82/29/51/532822951.db2.gz HPZWWPJCRXOSLX-HNNXBMFYSA-N 0 3 386.253 2.406 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@H]21 ZINC000288270602 532823067 /nfs/dbraw/zinc/82/30/67/532823067.db2.gz UOYSXNBGEPLPDM-IUODEOHRSA-N 0 3 398.326 2.426 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000416366037 532872142 /nfs/dbraw/zinc/87/21/42/532872142.db2.gz BPPGTFMGTISFBT-ZIAGYGMSSA-N 0 3 384.299 2.226 20 30 GEEDHN CN(CCNS(=O)(=O)c1cc(Br)ccc1C#N)C1CCCC1 ZINC000416380738 532874000 /nfs/dbraw/zinc/87/40/00/532874000.db2.gz BGJPDTXOHJSERK-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293124018 532922452 /nfs/dbraw/zinc/92/24/52/532922452.db2.gz UGNLLPVKNUISLB-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1scc(C)c1I ZINC000293915019 532933136 /nfs/dbraw/zinc/93/31/36/532933136.db2.gz GLJYQAVXEQQSCS-UHFFFAOYSA-N 0 3 376.263 2.346 20 30 GEEDHN N#Cc1cccc(C2([NH2+]CCC(=O)Nc3sccc3-c3nnn[n-]3)CC2)c1 ZINC000826386649 608529840 /nfs/dbraw/zinc/52/98/40/608529840.db2.gz NCFDCSZIPKVJQA-UHFFFAOYSA-N 0 3 379.449 2.407 20 30 GEEDHN C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CN1C1CC1 ZINC000450074293 650059590 /nfs/dbraw/zinc/05/95/90/650059590.db2.gz KXBKXQMTEBBTAP-NEPJUHHUSA-N 0 3 378.270 2.441 20 30 GEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103235 650060082 /nfs/dbraw/zinc/06/00/82/650060082.db2.gz GFGSQUVKLBDSPQ-ZBEGNZNMSA-N 0 3 378.270 2.298 20 30 GEEDHN CCN(CC)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127850025 643787462 /nfs/dbraw/zinc/78/74/62/643787462.db2.gz KZVPGGWZCBKLBQ-QGZVFWFLSA-N 0 3 393.329 2.500 20 30 GEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000129676847 643826072 /nfs/dbraw/zinc/82/60/72/643826072.db2.gz BOBDQUXCRBKFFZ-ONGXEEELSA-N 0 3 383.235 2.431 20 30 GEEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000130466969 643840038 /nfs/dbraw/zinc/84/00/38/643840038.db2.gz WIZAICWRPBJFOG-ZANVPECISA-N 0 3 383.235 2.431 20 30 GEEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000130466549 643840089 /nfs/dbraw/zinc/84/00/89/643840089.db2.gz WIZAICWRPBJFOG-RNCFNFMXSA-N 0 3 383.235 2.431 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)ccc1F ZINC000136387716 643919272 /nfs/dbraw/zinc/91/92/72/643919272.db2.gz WZPJCWAASIHKQX-ZDUSSCGKSA-N 0 3 385.233 2.382 20 30 GEEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC1CCCCC1 ZINC000156619553 644108210 /nfs/dbraw/zinc/10/82/10/644108210.db2.gz KUHANDNPCKGINJ-UHFFFAOYSA-N 0 3 378.951 2.178 20 30 GEEDHN Cc1cc(S(=O)(=O)NCCNC(=N)Nc2cc(F)ccc2F)c(C)s1 ZINC000262271760 645623689 /nfs/dbraw/zinc/62/36/89/645623689.db2.gz IQIMQDJFXLAGEV-UHFFFAOYSA-N 0 3 388.465 2.348 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000278611817 646530506 /nfs/dbraw/zinc/53/05/06/646530506.db2.gz BPSYBBWBIKRMLZ-CJNGLKHVSA-N 0 3 398.326 2.426 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1N1CCCC1 ZINC000333230374 647466574 /nfs/dbraw/zinc/46/65/74/647466574.db2.gz UKMONJQZNWQJSB-SJORKVTESA-N 0 3 383.514 2.039 20 30 GEEDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419655946 648359954 /nfs/dbraw/zinc/35/99/54/648359954.db2.gz TXMRXQMDJAGTBI-GFCCVEGCSA-N 0 3 393.285 2.107 20 30 GEEDHN N#Cc1ccc(Br)c(Cn2cc([C@H](N)C3CCOCC3)nn2)c1 ZINC000603240858 651473726 /nfs/dbraw/zinc/47/37/26/651473726.db2.gz FQXZEYVJRWHCEF-MRXNPFEDSA-N 0 3 376.258 2.387 20 30 GEEDHN CC#CC[C@@H](CO)NCc1cc(I)c(OC)c(OC)c1 ZINC000603432427 651491392 /nfs/dbraw/zinc/49/13/92/651491392.db2.gz MQJVGPRYGRXMJP-LBPRGKRZSA-N 0 3 389.233 2.172 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H](CO)c2ccccc2Cl)c1 ZINC000579122482 652318552 /nfs/dbraw/zinc/31/85/52/652318552.db2.gz RURVMXSMTWHLHF-HNNXBMFYSA-N 0 3 378.881 2.351 20 30 GEEDHN N#Cc1c(Br)cccc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000589569649 652568633 /nfs/dbraw/zinc/56/86/33/652568633.db2.gz HFQRJLNGWRVYOO-UHFFFAOYSA-N 0 3 377.286 2.065 20 30 GEEDHN CN1CCN(CCNC(=O)Cc2ccc(Br)cc2C#N)CC1(C)C ZINC000593682757 652631678 /nfs/dbraw/zinc/63/16/78/652631678.db2.gz LEUGPWYVXSRDDU-UHFFFAOYSA-N 0 3 393.329 2.005 20 30 GEEDHN COC(=O)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1Br ZINC000595255962 652710503 /nfs/dbraw/zinc/71/05/03/652710503.db2.gz HHODRERUNBMWSP-ZIAGYGMSSA-N 0 3 382.258 2.191 20 30 GEEDHN CC(C)(C#N)C[C@@H](O)C[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000598726744 652831565 /nfs/dbraw/zinc/83/15/65/652831565.db2.gz AFEYGYGBCPTQMW-LLVKDONJSA-N 0 3 394.324 2.162 20 30 GEEDHN N#CC1(C[C@@H](O)CN[C@@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357057 652863522 /nfs/dbraw/zinc/86/35/22/652863522.db2.gz KWABOAWMPPSWEL-CVEARBPZSA-N 0 3 383.286 2.143 20 30 GEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000599357682 652863726 /nfs/dbraw/zinc/86/37/26/652863726.db2.gz WBNIZDRWOKSYOE-IAGOWNOFSA-N 0 3 391.265 2.384 20 30 GEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)N1CCCCC1 ZINC000806857829 653177016 /nfs/dbraw/zinc/17/70/16/653177016.db2.gz XAIPUHWMIZPWSY-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN C#CC[C@@H](COC)NCc1cc(I)c(OC)c(OC)c1 ZINC000858336011 653360663 /nfs/dbraw/zinc/36/06/63/653360663.db2.gz RONPEEREOUUTHG-LBPRGKRZSA-N 0 3 389.233 2.436 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000876686209 653442324 /nfs/dbraw/zinc/44/23/24/653442324.db2.gz SHHAKWGLSVISMO-CZUORRHYSA-N 0 3 384.307 2.412 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000876686210 653442355 /nfs/dbraw/zinc/44/23/55/653442355.db2.gz SHHAKWGLSVISMO-XJKSGUPXSA-N 0 3 384.307 2.412 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(I)cc1 ZINC000876974287 653457465 /nfs/dbraw/zinc/45/74/65/653457465.db2.gz BZKYQRPCJLSMOU-GFCCVEGCSA-N 0 3 378.641 2.420 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031396 653462114 /nfs/dbraw/zinc/46/21/14/653462114.db2.gz VUBVQIVZMSLKRX-STQMWFEESA-N 0 3 386.677 2.141 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000815082362 653650542 /nfs/dbraw/zinc/65/05/42/653650542.db2.gz MYPZZGQDDPMWSI-UHFFFAOYSA-N 0 3 380.901 2.068 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OCC)c(Br)c1 ZINC000815082172 653650623 /nfs/dbraw/zinc/65/06/23/653650623.db2.gz CFSKALKBIMQCTL-UHFFFAOYSA-N 0 3 389.315 2.081 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000782054935 653654244 /nfs/dbraw/zinc/65/42/44/653654244.db2.gz BEDAKZQVTZDVLN-KRWDZBQOSA-N 0 3 379.298 2.334 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000818595936 653734485 /nfs/dbraw/zinc/73/44/85/653734485.db2.gz UTUOYLWFNOUKEL-UHFFFAOYSA-N 0 3 390.285 2.023 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000820680902 653780261 /nfs/dbraw/zinc/78/02/61/653780261.db2.gz QVWAZXCKSRZSDY-UHFFFAOYSA-N 0 3 389.297 2.379 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000883027591 653823381 /nfs/dbraw/zinc/82/33/81/653823381.db2.gz GVXFDBCPKPFCPW-UHFFFAOYSA-N 0 3 392.253 2.064 20 30 GEEDHN N#Cc1nc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1Br ZINC000883097734 653826821 /nfs/dbraw/zinc/82/68/21/653826821.db2.gz SAZKKBZMRDCCCS-LBPRGKRZSA-N 0 3 394.273 2.091 20 30 GEEDHN COc1ccc(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Br ZINC000884118539 653864482 /nfs/dbraw/zinc/86/44/82/653864482.db2.gz JFTDLJJENJETTM-UIORMTCPSA-N 0 3 378.270 2.213 20 30 GEEDHN C#CCN(C(=O)[C@H]1COc2ccc(Br)cc21)C1CCN(C)CC1 ZINC000886579710 653992534 /nfs/dbraw/zinc/99/25/34/653992534.db2.gz FZISDXRRCWOELB-INIZCTEOSA-N 0 3 377.282 2.481 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)cc2nc[nH]c21)C1CCN(C)CC1 ZINC000886576033 653992713 /nfs/dbraw/zinc/99/27/13/653992713.db2.gz UXGIRGCMEFKSMH-UHFFFAOYSA-N 0 3 375.270 2.495 20 30 GEEDHN C#CCN(C(=O)NCc1cc(Br)cnc1OC)C1CCN(C)CC1 ZINC000923414747 654451305 /nfs/dbraw/zinc/45/13/05/654451305.db2.gz OMXSHZXPHGIZDB-UHFFFAOYSA-N 0 3 395.301 2.092 20 30 GEEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)NCC#CCO)CC1 ZINC000923767100 654483354 /nfs/dbraw/zinc/48/33/54/654483354.db2.gz IAMUFBDXSAWIPN-UHFFFAOYSA-N 0 3 394.313 2.051 20 30 GEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907210758 654520505 /nfs/dbraw/zinc/52/05/05/654520505.db2.gz WLEJDTXLVOUWRR-MRXNPFEDSA-N 0 3 398.326 2.427 20 30 GEEDHN C#CCN(C)CCCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925314185 654541047 /nfs/dbraw/zinc/54/10/47/654541047.db2.gz RRRWYOGKUPSTGJ-INIZCTEOSA-N 0 3 390.281 2.093 20 30 GEEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCN(C)CCO)s1 ZINC000912598909 654760366 /nfs/dbraw/zinc/76/03/66/654760366.db2.gz JMKJUMMVVBSCMX-UHFFFAOYSA-N 0 3 377.963 2.221 20 30 GEEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2I)CCN1C ZINC000932547248 654780815 /nfs/dbraw/zinc/78/08/15/654780815.db2.gz GHRPZQIAWUEBJU-SKDRFNHKSA-N 0 3 384.221 2.377 20 30 GEEDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3I)[C@@H]2C1 ZINC000932548092 654781060 /nfs/dbraw/zinc/78/10/60/654781060.db2.gz YYEDQIYAQHGKJX-BXUZGUMPSA-N 0 3 396.232 2.331 20 30 GEEDHN CCN(CCC#N)C(=O)CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437516 654813235 /nfs/dbraw/zinc/81/32/35/654813235.db2.gz OHAFREKEGMDORO-KRWDZBQOSA-N 0 3 382.302 2.094 20 30 GEEDHN CCOC(=O)C1CCN(C2CCN(c3nc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC001164616449 719025933 /nfs/dbraw/zinc/02/59/33/719025933.db2.gz FKCWWGXOKGKUIE-UHFFFAOYSA-N 0 3 387.440 2.105 20 30 GEEDHN N#Cc1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164866038 721060912 /nfs/dbraw/zinc/06/09/12/721060912.db2.gz BXKFRCQTPDOGHL-RBUKOAKNSA-N 0 3 386.459 2.376 20 30 GEEDHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C=NO)c1 ZINC001164980289 722134439 /nfs/dbraw/zinc/13/44/39/722134439.db2.gz MNVUHMDYPIVHNN-ICSRJNTNSA-N 0 3 381.480 2.320 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)NCCCN2CCCCC2)c1 ZINC000175962344 532121188 /nfs/dbraw/zinc/12/11/88/532121188.db2.gz WBHURIQGLCYTIP-UHFFFAOYSA-N 0 3 386.315 2.475 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2ncc(I)cc2C)CC1 ZINC000175758350 532112773 /nfs/dbraw/zinc/11/27/73/532112773.db2.gz DHHGAPVDTCWRMQ-UHFFFAOYSA-N 0 3 383.233 2.278 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000178540878 532205255 /nfs/dbraw/zinc/20/52/55/532205255.db2.gz IMAXLGLNTNSVDD-UHFFFAOYSA-N 0 3 394.273 2.062 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000136651346 532285447 /nfs/dbraw/zinc/28/54/47/532285447.db2.gz JIOOEKTVQZSPJZ-UHFFFAOYSA-N 0 3 383.290 2.310 20 30 GEEDHN CN1C[C@@H]2CCCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000425066671 532362824 /nfs/dbraw/zinc/36/28/24/532362824.db2.gz PFHKSWFLFVHNAY-XJKSGUPXSA-N 0 3 378.270 2.252 20 30 GEEDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)C1 ZINC000590669014 532380378 /nfs/dbraw/zinc/38/03/78/532380378.db2.gz QFBXDXOTTIFLHY-MRXNPFEDSA-N 0 3 391.313 2.173 20 30 GEEDHN C[C@@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1C ZINC000592767274 532461704 /nfs/dbraw/zinc/46/17/04/532461704.db2.gz SGXSAXXQADWEDG-MLGOLLRUSA-N 0 3 391.313 2.356 20 30 GEEDHN CN1CC=C(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592783812 532464505 /nfs/dbraw/zinc/46/45/05/532464505.db2.gz UWNDQOSQHWCOFW-UHFFFAOYSA-N 0 3 389.297 2.135 20 30 GEEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1Br ZINC000376618602 532621240 /nfs/dbraw/zinc/62/12/40/532621240.db2.gz PEHFZNAPRSJSPA-UONOGXRCSA-N 0 3 379.258 2.305 20 30 GEEDHN CS[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1N1CCCC1 ZINC000299439690 532717403 /nfs/dbraw/zinc/71/74/03/532717403.db2.gz VTMXIVOKJDRUBK-ARFHVFGLSA-N 0 3 376.551 2.237 20 30 GEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000286334530 532740488 /nfs/dbraw/zinc/74/04/88/532740488.db2.gz XBVRJXCJURRNFK-UHFFFAOYSA-N 0 3 385.917 2.263 20 30 GEEDHN N#Cc1ccc(CNCCCNS(=O)(=O)c2ccccc2Br)o1 ZINC000512885592 532778461 /nfs/dbraw/zinc/77/84/61/532778461.db2.gz SJUDCCWRFZWUDN-UHFFFAOYSA-N 0 3 398.282 2.372 20 30 GEEDHN Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NC1CCN(C2CC2)CC1 ZINC000329623941 532809058 /nfs/dbraw/zinc/80/90/58/532809058.db2.gz SGRAMEMIVOGNMY-UHFFFAOYSA-N 0 3 393.285 2.374 20 30 GEEDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCN(C3CC3)C2)s1 ZINC000329055062 532801985 /nfs/dbraw/zinc/80/19/85/532801985.db2.gz LXHHZJONRHVAGP-DZGCQCFKSA-N 0 3 383.539 2.403 20 30 GEEDHN O=C(NCC1CCN(Cc2cccs2)CC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329787378 532811778 /nfs/dbraw/zinc/81/17/78/532811778.db2.gz RBSKIXBHOGQHIL-HNNXBMFYSA-N 0 3 385.555 2.041 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000330563708 532821448 /nfs/dbraw/zinc/82/14/48/532821448.db2.gz JFVCUHREEKGNFF-IAGOWNOFSA-N 0 3 391.313 2.252 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(C)c1Br ZINC000273298885 532822460 /nfs/dbraw/zinc/82/24/60/532822460.db2.gz ZJTHTEZZYSJRDU-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN CS[C@@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1N(C)C ZINC000330666706 532824520 /nfs/dbraw/zinc/82/45/20/532824520.db2.gz WQRWMVJSLMSMEG-JKSUJKDBSA-N 0 3 378.567 2.475 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000288679768 532834409 /nfs/dbraw/zinc/83/44/09/532834409.db2.gz BWYMLEDLTGTWRV-UHFFFAOYSA-N 0 3 378.270 2.092 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000365407412 532910621 /nfs/dbraw/zinc/91/06/21/532910621.db2.gz WKJNXRFOCIUTCX-HNNXBMFYSA-N 0 3 398.326 2.066 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000293310406 532925060 /nfs/dbraw/zinc/92/50/60/532925060.db2.gz ICZYTWAGTOECOJ-UHFFFAOYSA-N 0 3 375.778 2.369 20 30 GEEDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293227219 532923816 /nfs/dbraw/zinc/92/38/16/532923816.db2.gz BVSCULYGEOQUDF-UHFFFAOYSA-N 0 3 381.274 2.107 20 30 GEEDHN CS[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1N(C)C ZINC000450264872 650063145 /nfs/dbraw/zinc/06/31/45/650063145.db2.gz HGMQTOJJZKDNND-CABCVRRESA-N 0 3 398.326 2.204 20 30 GEEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451476223 650119116 /nfs/dbraw/zinc/11/91/16/650119116.db2.gz UEXNJMMCDYDCFA-HNNXBMFYSA-N 0 3 384.571 2.475 20 30 GEEDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3C#N)[C@H]2C1 ZINC000515293527 650590869 /nfs/dbraw/zinc/59/08/69/650590869.db2.gz LKOIOCWJLWIZDX-JKSUJKDBSA-N 0 3 378.270 2.256 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@H]2COCCN2)cc1OCC ZINC000530181064 650717442 /nfs/dbraw/zinc/71/74/42/650717442.db2.gz JMDWZAFMXFXMBP-AWEZNQCLSA-N 0 3 385.302 2.491 20 30 GEEDHN N#CC(C(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000123444598 643670239 /nfs/dbraw/zinc/67/02/39/643670239.db2.gz YKFHKGICQWIOOO-VIFPVBQESA-N 0 3 382.163 2.446 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127571283 643778713 /nfs/dbraw/zinc/77/87/13/643778713.db2.gz JFVCUHREEKGNFF-SJORKVTESA-N 0 3 391.313 2.252 20 30 GEEDHN CC(C)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127590509 643780171 /nfs/dbraw/zinc/78/01/71/643780171.db2.gz SHXZQDGKWKOIHY-KRWDZBQOSA-N 0 3 393.329 2.498 20 30 GEEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130239999 643833297 /nfs/dbraw/zinc/83/32/97/643833297.db2.gz FRTPVQFVJHOHMQ-PSASIEDQSA-N 0 3 381.820 2.436 20 30 GEEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000130466767 643839908 /nfs/dbraw/zinc/83/99/08/643839908.db2.gz WIZAICWRPBJFOG-NOZJJQNGSA-N 0 3 383.235 2.431 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000131005353 643858867 /nfs/dbraw/zinc/85/88/67/643858867.db2.gz WTDASNHWNWBJTN-NEPJUHHUSA-N 0 3 392.253 2.035 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456022 644460467 /nfs/dbraw/zinc/46/04/67/644460467.db2.gz OOFRFWFPHNODFH-AWEZNQCLSA-N 0 3 397.269 2.252 20 30 GEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)CCSC)nc1C ZINC000269109929 646016322 /nfs/dbraw/zinc/01/63/22/646016322.db2.gz WDKIQKWUCRCAHH-VIFPVBQESA-N 0 3 384.556 2.204 20 30 GEEDHN C=CCN1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000277599008 646448474 /nfs/dbraw/zinc/44/84/74/646448474.db2.gz ILFOELCKNCPQCP-UHFFFAOYSA-N 0 3 385.917 2.193 20 30 GEEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278615230 646531218 /nfs/dbraw/zinc/53/12/18/646531218.db2.gz BWTBMFXJXWBHTQ-GFCCVEGCSA-N 0 3 386.315 2.283 20 30 GEEDHN N#Cc1cnc2c(Br)cccc2c1N1CCCN(CCO)CC1 ZINC000281748862 646795615 /nfs/dbraw/zinc/79/56/15/646795615.db2.gz XQMSFJOAGXULSP-UHFFFAOYSA-N 0 3 375.270 2.373 20 30 GEEDHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000329717871 647324164 /nfs/dbraw/zinc/32/41/64/647324164.db2.gz YBLDMBQQQQTOOW-SNVBAGLBSA-N 0 3 377.919 2.287 20 30 GEEDHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1=CC[N@@H+](C)CC1 ZINC000329717871 647324168 /nfs/dbraw/zinc/32/41/68/647324168.db2.gz YBLDMBQQQQTOOW-SNVBAGLBSA-N 0 3 377.919 2.287 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1N1CCCC1 ZINC000333230368 647466659 /nfs/dbraw/zinc/46/66/59/647466659.db2.gz UKMONJQZNWQJSB-IAGOWNOFSA-N 0 3 383.514 2.039 20 30 GEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420030637 648397038 /nfs/dbraw/zinc/39/70/38/648397038.db2.gz GOYHGDIZERTVLD-DGCLKSJQSA-N 0 3 385.917 2.145 20 30 GEEDHN N#Cc1cnn2cc(CNCCC(=O)Nc3ccc(Br)cc3)cnc12 ZINC000608782205 651607441 /nfs/dbraw/zinc/60/74/41/651607441.db2.gz PGZUIHKXZXXDAQ-UHFFFAOYSA-N 0 3 399.252 2.482 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H](CO)c2ccccc2Cl)cc1 ZINC000574400479 652019104 /nfs/dbraw/zinc/01/91/04/652019104.db2.gz RKDGMOVURMBKLK-HNNXBMFYSA-N 0 3 378.881 2.351 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H](CO)c2ccccc2Cl)cc1 ZINC000574400482 652019275 /nfs/dbraw/zinc/01/92/75/652019275.db2.gz RKDGMOVURMBKLK-OAHLLOKOSA-N 0 3 378.881 2.351 20 30 GEEDHN N#CCCOCCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000582679553 652458793 /nfs/dbraw/zinc/45/87/93/652458793.db2.gz XNSDZEAJYWACAB-UHFFFAOYSA-N 0 3 381.274 2.425 20 30 GEEDHN CS(=O)(=O)N1CCCC[C@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000583782171 652497025 /nfs/dbraw/zinc/49/70/25/652497025.db2.gz YEMJUTUKQMQIIW-AWEZNQCLSA-N 0 3 375.416 2.481 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCCSCc2ccccc2F)nc1 ZINC000584286399 652515250 /nfs/dbraw/zinc/51/52/50/652515250.db2.gz KNEDAKROBWMWCP-UHFFFAOYSA-N 0 3 379.482 2.389 20 30 GEEDHN C=C(Cl)COc1ccc([C@@H](C)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000760047452 652593743 /nfs/dbraw/zinc/59/37/43/652593743.db2.gz OJUHZGJXJUNKTC-CQSZACIVSA-N 0 3 375.922 2.301 20 30 GEEDHN COCCN1CCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593451126 652621726 /nfs/dbraw/zinc/62/17/26/652621726.db2.gz UVPBZUJHLRLQJO-INIZCTEOSA-N 0 3 380.286 2.090 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000594436475 652648952 /nfs/dbraw/zinc/64/89/52/652648952.db2.gz JRQJKCOWLCOHHH-AWEZNQCLSA-N 0 3 391.273 2.439 20 30 GEEDHN N#CC1(C[C@H](O)CN[C@@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357058 652863735 /nfs/dbraw/zinc/86/37/35/652863735.db2.gz KWABOAWMPPSWEL-HOTGVXAUSA-N 0 3 383.286 2.143 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000774043024 653221697 /nfs/dbraw/zinc/22/16/97/653221697.db2.gz LYRYNNVIQANPOK-AWEZNQCLSA-N 0 3 395.253 2.274 20 30 GEEDHN CN(C)c1ccncc1C=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000776183837 653341216 /nfs/dbraw/zinc/34/12/16/653341216.db2.gz QJXWACNNGWFHPM-UHFFFAOYSA-N 0 3 383.271 2.223 20 30 GEEDHN C#C[C@@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1ccc(Br)cc1 ZINC000836317111 653344178 /nfs/dbraw/zinc/34/41/78/653344178.db2.gz COQSBCSMRXMNQG-HZPDHXFCSA-N 0 3 380.286 2.143 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000876784223 653447142 /nfs/dbraw/zinc/44/71/42/653447142.db2.gz BDNLYUXWAZXBRL-HIFRSBDPSA-N 0 3 386.949 2.355 20 30 GEEDHN COCCN1CCC[C@H]1COC(=O)COc1ccc(C#N)c(Br)c1 ZINC000861037837 653643919 /nfs/dbraw/zinc/64/39/19/653643919.db2.gz LNUWJFQIAYNMAR-AWEZNQCLSA-N 0 3 397.269 2.354 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000815082331 653650635 /nfs/dbraw/zinc/65/06/35/653650635.db2.gz LGFAMFNXVXFMQQ-UHFFFAOYSA-N 0 3 379.707 2.336 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000818584651 653734107 /nfs/dbraw/zinc/73/41/07/653734107.db2.gz TWYSKWSMGKKWSL-UHFFFAOYSA-N 0 3 376.254 2.388 20 30 GEEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)N1CCCCC1 ZINC000842202450 653747485 /nfs/dbraw/zinc/74/74/85/653747485.db2.gz NEYXOCMGHPGSTA-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN C#C[C@@H](NC(=O)N(CCOC)CCN(C)C)c1ccc(Br)cc1 ZINC000820617640 653778869 /nfs/dbraw/zinc/77/88/69/653778869.db2.gz SUPHQFRSRQJIQH-MRXNPFEDSA-N 0 3 382.302 2.343 20 30 GEEDHN N#Cc1nc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1Br ZINC000883097733 653826799 /nfs/dbraw/zinc/82/67/99/653826799.db2.gz SAZKKBZMRDCCCS-GFCCVEGCSA-N 0 3 394.273 2.091 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCc1ccc(F)c(Br)c1)C2 ZINC000884098022 653863474 /nfs/dbraw/zinc/86/34/74/653863474.db2.gz XPBBUYDTUPREBM-UIORMTCPSA-N 0 3 380.261 2.386 20 30 GEEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156188 653866318 /nfs/dbraw/zinc/86/63/18/653866318.db2.gz VNRMKQQFZXLORB-FMHYQEOESA-N 0 3 392.297 2.472 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1[C@H]3Cc4c(cccc4Br)[C@@H]13)C2 ZINC000884450614 653877180 /nfs/dbraw/zinc/87/71/80/653877180.db2.gz NYNOJRWJDDZDKO-LAHVHZQISA-N 0 3 386.293 2.343 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)C2 ZINC000884458303 653877428 /nfs/dbraw/zinc/87/74/28/653877428.db2.gz BDKSBLFAFBRKNC-DAPGNIFFSA-N 0 3 386.293 2.343 20 30 GEEDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000867580361 653955596 /nfs/dbraw/zinc/95/55/96/653955596.db2.gz ABTFGGJQFSSMQI-UHFFFAOYSA-N 0 3 385.917 2.191 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000886571123 653992128 /nfs/dbraw/zinc/99/21/28/653992128.db2.gz KBHFLPMEOIPATP-UHFFFAOYSA-N 0 3 395.257 2.109 20 30 GEEDHN C#CCN(C(=O)c1cn2c(Br)cnc2s1)C1CCN(C)CC1 ZINC000886576006 653992734 /nfs/dbraw/zinc/99/27/34/653992734.db2.gz SSDNDBVPKFTABH-UHFFFAOYSA-N 0 3 381.299 2.328 20 30 GEEDHN C#CCN1CCC(C(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000886836595 654003574 /nfs/dbraw/zinc/00/35/74/654003574.db2.gz HQZBQTPLYPBIDW-UHFFFAOYSA-N 0 3 377.286 2.080 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)ncc1Br ZINC000868581995 654044708 /nfs/dbraw/zinc/04/47/08/654044708.db2.gz YLYYGPVLNYKDQG-UHFFFAOYSA-N 0 3 389.091 2.292 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000918486073 654152444 /nfs/dbraw/zinc/15/24/44/654152444.db2.gz CAROITZZDBDZQM-GFCCVEGCSA-N 0 3 381.885 2.487 20 30 GEEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968912 654349238 /nfs/dbraw/zinc/34/92/38/654349238.db2.gz HGESAORQYJTBLA-ZBFHGGJFSA-N 0 3 399.310 2.147 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000835057549 654360226 /nfs/dbraw/zinc/36/02/26/654360226.db2.gz QHITWEYTUQIINU-ZNMIVQPWSA-N 0 3 379.254 2.414 20 30 GEEDHN Cn1nc(Br)nc1CNC1CCC(Oc2ncccc2C#N)CC1 ZINC000894535679 654483732 /nfs/dbraw/zinc/48/37/32/654483732.db2.gz WAIUDQQSVMOMBD-UHFFFAOYSA-N 0 3 391.273 2.324 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@@H]21 ZINC000907052876 654504257 /nfs/dbraw/zinc/50/42/57/654504257.db2.gz HYRQBWSQQKUWMN-LRDDRELGSA-N 0 3 398.326 2.426 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncc(Br)cn1 ZINC000930979853 654725547 /nfs/dbraw/zinc/72/55/47/654725547.db2.gz QFLVCJAQCXONGT-UHFFFAOYSA-N 0 3 388.269 2.315 20 30 GEEDHN O[C@H](CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939758 654794776 /nfs/dbraw/zinc/79/47/76/654794776.db2.gz JFUIMXKSNYACML-XHNCKOQMSA-N 0 3 383.279 2.365 20 30 GEEDHN CON(C)C(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943116 654795270 /nfs/dbraw/zinc/79/52/70/654795270.db2.gz KVCLJKITSRHCNF-HTQZYQBOSA-N 0 3 384.267 2.499 20 30 GEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436744 654812909 /nfs/dbraw/zinc/81/29/09/654812909.db2.gz HCBLAVCYCGQPBP-RDTXWAMCSA-N 0 3 396.329 2.340 20 30 GEEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906040 721553372 /nfs/dbraw/zinc/55/33/72/721553372.db2.gz IJVBAPDTKIAORW-IEBWSBKVSA-N 0 3 396.466 2.478 20 30 GEEDHN CN(CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CCCC1 ZINC000155198009 531664073 /nfs/dbraw/zinc/66/40/73/531664073.db2.gz CXBJQDOVLZMNPF-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN CN(C)CCN1C[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736562 532075544 /nfs/dbraw/zinc/07/55/44/532075544.db2.gz UYQSVMIQSSCXSP-IUODEOHRSA-N 0 3 383.279 2.084 20 30 GEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Br)ccc1OC ZINC000122618311 532077167 /nfs/dbraw/zinc/07/71/67/532077167.db2.gz WDOWSXVKBNTBQZ-JTQLQIEISA-N 0 3 376.272 2.063 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000179668861 532240598 /nfs/dbraw/zinc/24/05/98/532240598.db2.gz GIFOSLMXTYDWED-UHFFFAOYSA-N 0 3 395.301 2.248 20 30 GEEDHN CN1C[C@@H]2CCCN(C(=O)COc3cccc(Br)c3C#N)[C@@H]2C1 ZINC000425067090 532362933 /nfs/dbraw/zinc/36/29/33/532362933.db2.gz QQFZJISAQTWDJB-SWLSCSKDSA-N 0 3 378.270 2.252 20 30 GEEDHN Cc1c(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)ccc(Br)c1C#N ZINC000425773603 532394305 /nfs/dbraw/zinc/39/43/05/532394305.db2.gz XRPZKPHPVQSEEV-GFCCVEGCSA-N 0 3 393.285 2.120 20 30 GEEDHN CSC1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCN(C)CC1 ZINC000562149455 532459608 /nfs/dbraw/zinc/45/96/08/532459608.db2.gz DNBDZBLETSTZPH-UHFFFAOYSA-N 0 3 380.901 2.094 20 30 GEEDHN CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1N(C)C ZINC000593560334 532488807 /nfs/dbraw/zinc/48/88/07/532488807.db2.gz DPUFUYYAIJLSPD-CABCVRRESA-N 0 3 382.327 2.367 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000521862847 532519470 /nfs/dbraw/zinc/51/94/70/532519470.db2.gz MLOPYOUSSGJHMW-MRXNPFEDSA-N 0 3 380.535 2.366 20 30 GEEDHN C#CCCN1CCC(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000376891570 532634203 /nfs/dbraw/zinc/63/42/03/532634203.db2.gz CNOPWYFSKCDZBZ-QGZVFWFLSA-N 0 3 377.282 2.357 20 30 GEEDHN C#CCCN1CCC(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000376891569 532634220 /nfs/dbraw/zinc/63/42/20/532634220.db2.gz CNOPWYFSKCDZBZ-KRWDZBQOSA-N 0 3 377.282 2.357 20 30 GEEDHN COc1cc(CCNCCS(=O)(=O)c2ccc(C#N)cn2)ccc1Cl ZINC000567161101 532643137 /nfs/dbraw/zinc/64/31/37/532643137.db2.gz MCVGKESWUFCEQB-UHFFFAOYSA-N 0 3 379.869 2.221 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1Br ZINC000378233834 532685116 /nfs/dbraw/zinc/68/51/16/532685116.db2.gz USBAYZLAVJFKGH-CYBMUJFWSA-N 0 3 384.299 2.180 20 30 GEEDHN C[C@H]1CCSCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000502842973 532741177 /nfs/dbraw/zinc/74/11/77/532741177.db2.gz OOPNGJXGNLVSNL-JKSUJKDBSA-N 0 3 378.567 2.284 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000288086544 532817211 /nfs/dbraw/zinc/81/72/11/532817211.db2.gz KFVPMTNUUKNCBM-ZDUSSCGKSA-N 0 3 398.326 2.427 20 30 GEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCn2cc(Br)cn2)cc1 ZINC000288269945 532822679 /nfs/dbraw/zinc/82/26/79/532822679.db2.gz HPZWWPJCRXOSLX-OAHLLOKOSA-N 0 3 386.253 2.406 20 30 GEEDHN C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)CN1CCCC1 ZINC000330677178 532825320 /nfs/dbraw/zinc/82/53/20/532825320.db2.gz VBGOOGPRFMSWIM-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN N#Cc1ccccc1OCCN1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328646197 206236322 /nfs/dbraw/zinc/23/63/22/206236322.db2.gz SMTBTRFEKPQDHE-LJQANCHMSA-N 0 3 395.507 2.372 20 30 GEEDHN C#CCN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC1 ZINC000274160446 532843026 /nfs/dbraw/zinc/84/30/26/532843026.db2.gz MCSJNPAMCUVNAK-UHFFFAOYSA-N 0 3 383.901 2.017 20 30 GEEDHN CN(CCn1cc(Br)cn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000289066167 532846402 /nfs/dbraw/zinc/84/64/02/532846402.db2.gz GOZZHCNKPGBLFQ-HNNXBMFYSA-N 0 3 386.253 2.358 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@@H]21 ZINC000333150477 532865507 /nfs/dbraw/zinc/86/55/07/532865507.db2.gz KMTOKGDRBKDGPO-ZFWWWQNUSA-N 0 3 398.326 2.426 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@H]21 ZINC000333150458 532865399 /nfs/dbraw/zinc/86/53/99/532865399.db2.gz KMTOKGDRBKDGPO-DZGCQCFKSA-N 0 3 398.326 2.426 20 30 GEEDHN C[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)CN1CCCC1 ZINC000416370136 532872780 /nfs/dbraw/zinc/87/27/80/532872780.db2.gz KHASENCPOXFTOD-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN COC(=O)CN(CCc1ccc(Cl)cc1Cl)S(=O)(=O)C(C)C#N ZINC000416402825 532876221 /nfs/dbraw/zinc/87/62/21/532876221.db2.gz QBXSQAIARUGOIM-JTQLQIEISA-N 0 3 379.265 2.253 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1 ZINC000368549199 532933309 /nfs/dbraw/zinc/93/33/09/532933309.db2.gz WMEBLUYPLJVJNE-CQSZACIVSA-N 0 3 384.299 2.180 20 30 GEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000370585989 532944329 /nfs/dbraw/zinc/94/43/29/532944329.db2.gz ZIYMQMNKNGGXTL-HNNXBMFYSA-N 0 3 384.571 2.276 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000735420323 599614340 /nfs/dbraw/zinc/61/43/40/599614340.db2.gz OTHCAOBUGDERJQ-GOSISDBHSA-N 0 3 381.484 2.049 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000735420323 599614342 /nfs/dbraw/zinc/61/43/42/599614342.db2.gz OTHCAOBUGDERJQ-GOSISDBHSA-N 0 3 381.484 2.049 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000450896249 650074367 /nfs/dbraw/zinc/07/43/67/650074367.db2.gz ZTSDHNBMWBYRPJ-HNNXBMFYSA-N 0 3 377.286 2.111 20 30 GEEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000452089223 650172390 /nfs/dbraw/zinc/17/23/90/650172390.db2.gz PIHQXJRUKXPLLD-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453342626 650208169 /nfs/dbraw/zinc/20/81/69/650208169.db2.gz IPBDJPMLSSPCSY-GDLCADMTSA-N 0 3 389.315 2.481 20 30 GEEDHN C=C(C)CNC(=S)N(CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000061252560 642842277 /nfs/dbraw/zinc/84/22/77/642842277.db2.gz MUERBPDBANIRDA-MRXNPFEDSA-N 0 3 375.604 2.045 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1 ZINC000125425490 643707804 /nfs/dbraw/zinc/70/78/04/643707804.db2.gz PEZGWEYUDOPHIG-HNNXBMFYSA-N 0 3 397.269 2.468 20 30 GEEDHN CC[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000127162628 643760653 /nfs/dbraw/zinc/76/06/53/643760653.db2.gz BOHYGRNQGHVTSU-IAGOWNOFSA-N 0 3 393.329 2.498 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000131004919 643859026 /nfs/dbraw/zinc/85/90/26/643859026.db2.gz WTDASNHWNWBJTN-RYUDHWBXSA-N 0 3 392.253 2.035 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456028 644460485 /nfs/dbraw/zinc/46/04/85/644460485.db2.gz OOFRFWFPHNODFH-CQSZACIVSA-N 0 3 397.269 2.252 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181150520 644526506 /nfs/dbraw/zinc/52/65/06/644526506.db2.gz WJRILEHVEWJBPB-QGZVFWFLSA-N 0 3 391.313 2.059 20 30 GEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432397 648126166 /nfs/dbraw/zinc/12/61/66/648126166.db2.gz JYONEYSOBPUGJK-ZFWWWQNUSA-N 0 3 398.326 2.426 20 30 GEEDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419655947 648360100 /nfs/dbraw/zinc/36/01/00/648360100.db2.gz TXMRXQMDJAGTBI-LBPRGKRZSA-N 0 3 393.285 2.107 20 30 GEEDHN Cc1cc(N2CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C2=O)ccc1Br ZINC000424172568 648615263 /nfs/dbraw/zinc/61/52/63/648615263.db2.gz NDMVALBPLRDPHX-LSDHHAIUSA-N 0 3 393.285 2.000 20 30 GEEDHN Cc1cc(N2CC[C@@H](NC(=O)[C@H](N)CCCC#N)C2=O)ccc1Br ZINC000424172566 648615359 /nfs/dbraw/zinc/61/53/59/648615359.db2.gz NDMVALBPLRDPHX-HUUCEWRRSA-N 0 3 393.285 2.000 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000424189050 648616106 /nfs/dbraw/zinc/61/61/06/648616106.db2.gz MPWNCLBVXARETO-GFCCVEGCSA-N 0 3 378.230 2.136 20 30 GEEDHN C=C(C)COCCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708408 648765956 /nfs/dbraw/zinc/76/59/56/648765956.db2.gz SRJNXDRYBAPPJK-NSHDSACASA-N 0 3 377.304 2.340 20 30 GEEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000556099490 651236426 /nfs/dbraw/zinc/23/64/26/651236426.db2.gz RPJHRWHWKQWBNY-UHFFFAOYSA-N 0 3 395.301 2.305 20 30 GEEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H](C)CS(C)(=O)=O ZINC000732985978 651683621 /nfs/dbraw/zinc/68/36/21/651683621.db2.gz XQHKBKIHNCIMQB-CHWSQXEVSA-N 0 3 379.507 2.228 20 30 GEEDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1N(C)C ZINC000611432560 651723815 /nfs/dbraw/zinc/72/38/15/651723815.db2.gz HVJIKVJLWKXPSV-DIOULYMOSA-N 0 3 378.567 2.413 20 30 GEEDHN C=CCN1CCC(NC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000623635115 652250359 /nfs/dbraw/zinc/25/03/59/652250359.db2.gz VJJYDETWNUAORE-UHFFFAOYSA-N 0 3 383.290 2.302 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H](N)CCCCC#N ZINC000594428548 652648453 /nfs/dbraw/zinc/64/84/53/652648453.db2.gz ZFGOUVMEHYRKOU-ZDUSSCGKSA-N 0 3 381.274 2.224 20 30 GEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723647 652831591 /nfs/dbraw/zinc/83/15/91/652831591.db2.gz JFIBQMWWWOUKDS-HUUCEWRRSA-N 0 3 380.286 2.445 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000601974999 653134890 /nfs/dbraw/zinc/13/48/90/653134890.db2.gz XUGBPFMTEUWHBA-MRXNPFEDSA-N 0 3 378.881 2.351 20 30 GEEDHN C#CCOc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000771976726 653135162 /nfs/dbraw/zinc/13/51/62/653135162.db2.gz CGECRKVRFQHTIY-UHFFFAOYSA-N 0 3 378.519 2.445 20 30 GEEDHN C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000602572646 653191672 /nfs/dbraw/zinc/19/16/72/653191672.db2.gz SEXJFXAJMKGCKF-GFCCVEGCSA-N 0 3 391.946 2.368 20 30 GEEDHN C=CCC[C@@H](CO)NCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000641759805 653233196 /nfs/dbraw/zinc/23/31/96/653233196.db2.gz JLSXINDLJBUJAF-DOMZBBRYSA-N 0 3 385.302 2.379 20 30 GEEDHN CCN(CC)CCS(=O)(=O)Oc1c(Br)cc(C#N)cc1OC ZINC000810057621 653319766 /nfs/dbraw/zinc/31/97/66/653319766.db2.gz HKIJRAHVSTUWHP-UHFFFAOYSA-N 0 3 391.287 2.380 20 30 GEEDHN C#CCN(C)CCCNC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000836272410 653342219 /nfs/dbraw/zinc/34/22/19/653342219.db2.gz SXTDHKCOOXGCKQ-UHFFFAOYSA-N 0 3 398.301 2.221 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000876635156 653439679 /nfs/dbraw/zinc/43/96/79/653439679.db2.gz NSUHEZVCSFXWDX-ZDUSSCGKSA-N 0 3 388.693 2.155 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000876784224 653447932 /nfs/dbraw/zinc/44/79/32/653447932.db2.gz BDNLYUXWAZXBRL-UKRRQHHQSA-N 0 3 386.949 2.355 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000818606383 653734913 /nfs/dbraw/zinc/73/49/13/653734913.db2.gz QPDGIIMGNPWKDO-ZDUSSCGKSA-N 0 3 382.291 2.418 20 30 GEEDHN C#CCN1C(=O)C[C@H](N2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771624 653806405 /nfs/dbraw/zinc/80/64/05/653806405.db2.gz IDSGSFYGYIHDTG-ZBFHGGJFSA-N 0 3 375.266 2.074 20 30 GEEDHN N#Cc1cc(Br)cnc1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000882814491 653811163 /nfs/dbraw/zinc/81/11/63/653811163.db2.gz MPVCAHWPWHNQSG-UHFFFAOYSA-N 0 3 392.301 2.026 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCOc1ccc(Br)cc1)C2 ZINC000884110614 653863845 /nfs/dbraw/zinc/86/38/45/653863845.db2.gz OKXSGDROSZUVNH-JZLYGMAVSA-N 0 3 378.270 2.083 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)n(C)n1 ZINC000825284537 653923796 /nfs/dbraw/zinc/92/37/96/653923796.db2.gz OSSXQKVRGOWTJH-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000847379395 653926385 /nfs/dbraw/zinc/92/63/85/653926385.db2.gz TWOMUWHYJUTOOG-UHFFFAOYSA-N 0 3 380.286 2.308 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000897675049 653932720 /nfs/dbraw/zinc/93/27/20/653932720.db2.gz PKIKOXAGLUWSGO-UHFFFAOYSA-N 0 3 384.307 2.419 20 30 GEEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885891001 653962087 /nfs/dbraw/zinc/96/20/87/653962087.db2.gz NSQPDKOFMZCFSO-QGZVFWFLSA-N 0 3 392.297 2.233 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)C1CCN(C)CC1 ZINC000886575849 653992700 /nfs/dbraw/zinc/99/27/00/653992700.db2.gz MWSOIOLKTZVPDX-UHFFFAOYSA-N 0 3 393.281 2.405 20 30 GEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cn2cc(Br)cn2)c1 ZINC000916893032 654110941 /nfs/dbraw/zinc/11/09/41/654110941.db2.gz QLDMBKBCXDTOBL-ZDUSSCGKSA-N 0 3 377.198 2.002 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(C)nc1Br ZINC000888954708 654115484 /nfs/dbraw/zinc/11/54/84/654115484.db2.gz SLWDEBSKMUVGGH-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000918243214 654146298 /nfs/dbraw/zinc/14/62/98/654146298.db2.gz JAQVZLTYVYYHQD-BHYGNILZSA-N 0 3 383.539 2.023 20 30 GEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063746 654505562 /nfs/dbraw/zinc/50/55/62/654505562.db2.gz RTBWLAVRBCKUPZ-WBMJQRKESA-N 0 3 398.326 2.426 20 30 GEEDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907176051 654517920 /nfs/dbraw/zinc/51/79/20/654517920.db2.gz QJSPDILINUERON-UHFFFAOYSA-N 0 3 386.315 2.427 20 30 GEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907210754 654520437 /nfs/dbraw/zinc/52/04/37/654520437.db2.gz WLEJDTXLVOUWRR-INIZCTEOSA-N 0 3 398.326 2.427 20 30 GEEDHN C#CCN(C(=O)C(=O)NCc1cccc(Cl)c1Cl)C1CCN(C)CC1 ZINC000929338702 654680226 /nfs/dbraw/zinc/68/02/26/654680226.db2.gz ZKZRHMHTZCSCQU-UHFFFAOYSA-N 0 3 382.291 2.166 20 30 GEEDHN O[C@@H](CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCC1 ZINC000932939759 654794813 /nfs/dbraw/zinc/79/48/13/654794813.db2.gz JFUIMXKSNYACML-YIZRAAEISA-N 0 3 383.279 2.365 20 30 GEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438351 654813520 /nfs/dbraw/zinc/81/35/20/654813520.db2.gz VQUXNZJAZYRYQI-QZTJIDSGSA-N 0 3 396.329 2.387 20 30 GEEDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000152900812 531576763 /nfs/dbraw/zinc/57/67/63/531576763.db2.gz WPXWRPHZIKGLRU-CJNGLKHVSA-N 0 3 398.326 2.426 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000173275106 532001075 /nfs/dbraw/zinc/00/10/75/532001075.db2.gz XMSGQXQEPFMTFS-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](C)CS(C)(=O)=O ZINC000122790015 532082437 /nfs/dbraw/zinc/08/24/37/532082437.db2.gz HIDDLLVPHHQTDX-HNNXBMFYSA-N 0 3 386.587 2.265 20 30 GEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cc(C#N)c(Br)cn1 ZINC000603287156 532088712 /nfs/dbraw/zinc/08/87/12/532088712.db2.gz XRYIWAQIVUOEMC-CQSZACIVSA-N 0 3 380.290 2.070 20 30 GEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000183910323 532329934 /nfs/dbraw/zinc/32/99/34/532329934.db2.gz BBIGPDLBWYBMCN-FUHWJXTLSA-N 0 3 391.265 2.384 20 30 GEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183910364 532330042 /nfs/dbraw/zinc/33/00/42/532330042.db2.gz BBIGPDLBWYBMCN-AEFFLSMTSA-N 0 3 391.265 2.384 20 30 GEEDHN N#Cc1cc(Br)ccc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000590680279 532380917 /nfs/dbraw/zinc/38/09/17/532380917.db2.gz JEEVHNHIZFGAMC-HNNXBMFYSA-N 0 3 378.270 2.304 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1N1CCCC1 ZINC000295204012 532418321 /nfs/dbraw/zinc/41/83/21/532418321.db2.gz VSNUULPMYJVKDG-IAGOWNOFSA-N 0 3 383.514 2.039 20 30 GEEDHN C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCCC1 ZINC000592759419 532460006 /nfs/dbraw/zinc/46/00/06/532460006.db2.gz YSVAHHFLUJJWFQ-ZDUSSCGKSA-N 0 3 391.313 2.357 20 30 GEEDHN CN(C)C[C@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592757037 532461031 /nfs/dbraw/zinc/46/10/31/532461031.db2.gz DZCRVNRTSVSYQC-MRXNPFEDSA-N 0 3 391.313 2.310 20 30 GEEDHN CN(C)CC1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1 ZINC000592796622 532466307 /nfs/dbraw/zinc/46/63/07/532466307.db2.gz CTDWJVPLFUUZJT-UHFFFAOYSA-N 0 3 391.313 2.357 20 30 GEEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 ZINC000373796978 532470477 /nfs/dbraw/zinc/47/04/77/532470477.db2.gz YLYOVKWEOADUKJ-CQSZACIVSA-N 0 3 398.326 2.066 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000562765322 532481772 /nfs/dbraw/zinc/48/17/72/532481772.db2.gz KABLHPBXDHFBSQ-ZDUSSCGKSA-N 0 3 383.290 2.121 20 30 GEEDHN CN(C)CCOC1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593469335 532483614 /nfs/dbraw/zinc/48/36/14/532483614.db2.gz VKDHPVLLIQOBAN-UHFFFAOYSA-N 0 3 394.313 2.432 20 30 GEEDHN COC1CCN(C2(CNS(=O)(=O)c3ccsc3C#N)CCCC2)CC1 ZINC000593545177 532485985 /nfs/dbraw/zinc/48/59/85/532485985.db2.gz YIVJBNFGCGOCBB-UHFFFAOYSA-N 0 3 383.539 2.322 20 30 GEEDHN Cc1nn(-c2ccccc2Br)cc1CNCCn1cnc(C#N)n1 ZINC000594506505 532512520 /nfs/dbraw/zinc/51/25/20/532512520.db2.gz UTULHJWHKOMUGW-UHFFFAOYSA-N 0 3 386.257 2.196 20 30 GEEDHN Cn1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc(Br)c1=O ZINC000471055195 532540890 /nfs/dbraw/zinc/54/08/90/532540890.db2.gz CAUOKECWVNYFAS-ZDUSSCGKSA-N 0 3 385.221 2.340 20 30 GEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCN(C)CCOC ZINC000284312960 532585235 /nfs/dbraw/zinc/58/52/35/532585235.db2.gz VVVONWGBJINETD-UHFFFAOYSA-N 0 3 387.933 2.001 20 30 GEEDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697721 532623966 /nfs/dbraw/zinc/62/39/66/532623966.db2.gz ZKWWVRCWISADPT-DLBZAZTESA-N 0 3 392.297 2.185 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000284836438 532624868 /nfs/dbraw/zinc/62/48/68/532624868.db2.gz SEMHOKCWOHNMFJ-UHFFFAOYSA-N 0 3 376.404 2.257 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3ncsc3C2)cc1 ZINC000481045922 532665128 /nfs/dbraw/zinc/66/51/28/532665128.db2.gz ZCBBIHWKPVRKSZ-LLVKDONJSA-N 0 3 376.463 2.419 20 30 GEEDHN C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1=CCN(C)CC1 ZINC000450767397 532760048 /nfs/dbraw/zinc/76/00/48/532760048.db2.gz UGWDFDWEUQWVLT-GFCCVEGCSA-N 0 3 378.270 2.466 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000286795156 532769314 /nfs/dbraw/zinc/76/93/14/532769314.db2.gz YIYLSXOIGJSCNS-LLVKDONJSA-N 0 3 384.299 2.083 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(F)(F)Br)cc1 ZINC000287393046 532793808 /nfs/dbraw/zinc/79/38/08/532793808.db2.gz GCYHRZWTPXJVAL-MRVPVSSYSA-N 0 3 396.213 2.482 20 30 GEEDHN N#CCC[C@@H](C#N)CNCCCNS(=O)(=O)c1ccccc1Br ZINC000551935428 532802623 /nfs/dbraw/zinc/80/26/23/532802623.db2.gz YDXXFADQQPEJJT-ZDUSSCGKSA-N 0 3 399.314 2.151 20 30 GEEDHN CC(C(=O)NCc1cn2cc(Cl)ccc2n1)S(=O)(=O)C1CCOCC1 ZINC000330026146 532813868 /nfs/dbraw/zinc/81/38/68/532813868.db2.gz BHZSIPUESJDHRU-LLVKDONJSA-N 0 3 385.873 2.427 20 30 GEEDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000289093812 532847431 /nfs/dbraw/zinc/84/74/31/532847431.db2.gz IOEMESBAHNYNRY-NSHDSACASA-N 0 3 390.278 2.175 20 30 GEEDHN CN1CC[C@@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000333039003 532862936 /nfs/dbraw/zinc/86/29/36/532862936.db2.gz DSXIGTIYDIEZNA-QGZVFWFLSA-N 0 3 378.270 2.254 20 30 GEEDHN N#Cc1cncc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000289775179 532864517 /nfs/dbraw/zinc/86/45/17/532864517.db2.gz LMYSFUSPSCXXDB-UHFFFAOYSA-N 0 3 376.507 2.205 20 30 GEEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293124020 532922416 /nfs/dbraw/zinc/92/24/16/532922416.db2.gz UGNLLPVKNUISLB-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN CN(CCC#N)c1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821598202 599450553 /nfs/dbraw/zinc/45/05/53/599450553.db2.gz UWMZJAPPISUTBN-UHFFFAOYSA-N 0 3 377.452 2.385 20 30 GEEDHN Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000822400182 606514906 /nfs/dbraw/zinc/51/49/06/606514906.db2.gz YMXOIKGJFFOOBY-UHFFFAOYSA-N 0 3 388.435 2.297 20 30 GEEDHN Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000822400182 606514908 /nfs/dbraw/zinc/51/49/08/606514908.db2.gz YMXOIKGJFFOOBY-UHFFFAOYSA-N 0 3 388.435 2.297 20 30 GEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108389 650059968 /nfs/dbraw/zinc/05/99/68/650059968.db2.gz VIRCFYQEIWYJCJ-ABAIWWIYSA-N 0 3 378.270 2.298 20 30 GEEDHN C=CCNC(=O)CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451188007 650094658 /nfs/dbraw/zinc/09/46/58/650094658.db2.gz HCUMWQNOPSGSGY-AWEZNQCLSA-N 0 3 384.261 2.458 20 30 GEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000172797165 644344072 /nfs/dbraw/zinc/34/40/72/644344072.db2.gz JMBODKGUMPNDII-FZMZJTMJSA-N 0 3 383.279 2.084 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173933544 644364543 /nfs/dbraw/zinc/36/45/43/644364543.db2.gz UQJCESMTINNQNN-WFASDCNBSA-N 0 3 397.269 2.468 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000271329714 646192505 /nfs/dbraw/zinc/19/25/05/646192505.db2.gz VOGNEKXOJLCYOP-UHFFFAOYSA-N 0 3 378.274 2.262 20 30 GEEDHN CN(CCCN1CCCC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287343767 646884268 /nfs/dbraw/zinc/88/42/68/646884268.db2.gz LMCNLCBNGNEMSG-UHFFFAOYSA-N 0 3 386.315 2.427 20 30 GEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(I)s1 ZINC000424118033 648614298 /nfs/dbraw/zinc/61/42/98/648614298.db2.gz ZQZGHYUEZUNGGA-JTQLQIEISA-N 0 3 377.251 2.033 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000424184079 648616081 /nfs/dbraw/zinc/61/60/81/648616081.db2.gz LCQMXWMOLPINHD-MRXNPFEDSA-N 0 3 397.292 2.254 20 30 GEEDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000554215684 651199986 /nfs/dbraw/zinc/19/99/86/651199986.db2.gz HZOBYZKLOCLJOY-UHFFFAOYSA-N 0 3 393.329 2.307 20 30 GEEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H](C)CS(C)(=O)=O ZINC000732985982 651683594 /nfs/dbraw/zinc/68/35/94/651683594.db2.gz XQHKBKIHNCIMQB-QWHCGFSZSA-N 0 3 379.507 2.228 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000747820026 652180685 /nfs/dbraw/zinc/18/06/85/652180685.db2.gz HIMYKWNFAJDPAI-AWEZNQCLSA-N 0 3 385.291 2.195 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000747968486 652186285 /nfs/dbraw/zinc/18/62/85/652186285.db2.gz KTOIMMLLJKAUSQ-AWEZNQCLSA-N 0 3 385.291 2.195 20 30 GEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577497035 652193092 /nfs/dbraw/zinc/19/30/92/652193092.db2.gz VVYDNQPYQGTEKY-ZDUSSCGKSA-N 0 3 381.274 2.245 20 30 GEEDHN C=CCOc1c(Cl)cc(CN[C@H](CC)CNS(C)(=O)=O)cc1OC ZINC000623538137 652245232 /nfs/dbraw/zinc/24/52/32/652245232.db2.gz YJCWZGLGDCRHDN-CYBMUJFWSA-N 0 3 376.906 2.331 20 30 GEEDHN CC(C)N1CCO[C@@H](C(=N)NOCc2cc(C#N)ccc2Br)C1 ZINC000754885981 652450573 /nfs/dbraw/zinc/45/05/73/652450573.db2.gz RLGXEMBULHDPBB-OAHLLOKOSA-N 0 3 381.274 2.428 20 30 GEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000598724056 652831518 /nfs/dbraw/zinc/83/15/18/652831518.db2.gz LTQHQDLMEYNCKI-GFCCVEGCSA-N 0 3 378.416 2.499 20 30 GEEDHN N#CC1(C[C@H](O)CN[C@@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357388 652863537 /nfs/dbraw/zinc/86/35/37/652863537.db2.gz QAGIDRFRZMQBRE-HOTGVXAUSA-N 0 3 383.286 2.143 20 30 GEEDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000601421242 653093807 /nfs/dbraw/zinc/09/38/07/653093807.db2.gz IMKICWYWTMBLKP-TVQRCGJNSA-N 0 3 390.278 2.173 20 30 GEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826840 653338128 /nfs/dbraw/zinc/33/81/28/653338128.db2.gz QDWNTZHRDDGAPW-CABCVRRESA-N 0 3 378.270 2.395 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000836295422 653343051 /nfs/dbraw/zinc/34/30/51/653343051.db2.gz KJGQUONZKBCXDK-HNNXBMFYSA-N 0 3 393.329 2.282 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000836489053 653355919 /nfs/dbraw/zinc/35/59/19/653355919.db2.gz UIEULXDQQCTMMV-UHFFFAOYSA-N 0 3 384.311 2.175 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000836489404 653356033 /nfs/dbraw/zinc/35/60/33/653356033.db2.gz ZQSWFXZZJAJLHT-QGZVFWFLSA-N 0 3 394.313 2.487 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878019050 653626529 /nfs/dbraw/zinc/62/65/29/653626529.db2.gz PIOOGCPQIKCTSH-MRXNPFEDSA-N 0 3 385.291 2.195 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000815082258 653650650 /nfs/dbraw/zinc/65/06/50/653650650.db2.gz HUTFPGPUPOXKHB-UHFFFAOYSA-N 0 3 399.310 2.057 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000815860791 653666939 /nfs/dbraw/zinc/66/69/39/653666939.db2.gz ALKHYSFNELZRCV-UHFFFAOYSA-N 0 3 380.286 2.076 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000818588719 653734055 /nfs/dbraw/zinc/73/40/55/653734055.db2.gz DPUWNQALGWHRAS-UHFFFAOYSA-N 0 3 376.254 2.388 20 30 GEEDHN C=C(Cl)CSc1nc(C)c(CC(=O)C(C#N)C(=O)NCCOC)s1 ZINC000819945458 653763314 /nfs/dbraw/zinc/76/33/14/653763314.db2.gz SYKLPNMRTNALLS-NSHDSACASA-N 0 3 387.914 2.310 20 30 GEEDHN C[C@H]1CN(c2ncc(C#N)cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000882144057 653765591 /nfs/dbraw/zinc/76/55/91/653765591.db2.gz ATUBMLJBHDUIFG-XJKSGUPXSA-N 0 3 378.318 2.178 20 30 GEEDHN COc1ccc(Br)c(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884095706 653863205 /nfs/dbraw/zinc/86/32/05/653863205.db2.gz WPQIGXJYRLLDLL-JZLYGMAVSA-N 0 3 378.270 2.213 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)cn2ccnc12)C1CCN(C)CC1 ZINC000886572418 653992190 /nfs/dbraw/zinc/99/21/90/653992190.db2.gz LQILGNQGJODIKR-UHFFFAOYSA-N 0 3 375.270 2.266 20 30 GEEDHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000916623743 654102569 /nfs/dbraw/zinc/10/25/69/654102569.db2.gz DUKIMOSGGVKKMK-AEFFLSMTSA-N 0 3 375.519 2.385 20 30 GEEDHN CCn1c(SCC(=O)C(C#N)C(=O)NC)nnc1-c1ccc(Cl)cc1 ZINC000917005186 654111770 /nfs/dbraw/zinc/11/17/70/654111770.db2.gz NBFXWRBTLOFXEC-LBPRGKRZSA-N 0 3 377.857 2.165 20 30 GEEDHN CCS(=O)(=O)N1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921523435 654278056 /nfs/dbraw/zinc/27/80/56/654278056.db2.gz XISZTQNLJDEHGI-UHFFFAOYSA-N 0 3 386.315 2.224 20 30 GEEDHN N#Cc1ccc(Br)c(CNCC2(N3CCOCC3)CCOCC2)c1 ZINC000922178250 654373985 /nfs/dbraw/zinc/37/39/85/654373985.db2.gz NBODPZMCTJGDJW-UHFFFAOYSA-N 0 3 394.313 2.292 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)nc1 ZINC000906887370 654483139 /nfs/dbraw/zinc/48/31/39/654483139.db2.gz BHOXIPJBNCWDPO-UHFFFAOYSA-N 0 3 376.507 2.205 20 30 GEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907063745 654505615 /nfs/dbraw/zinc/50/56/15/654505615.db2.gz RTBWLAVRBCKUPZ-MLGOLLRUSA-N 0 3 398.326 2.426 20 30 GEEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)C2)s1 ZINC000907344189 654533782 /nfs/dbraw/zinc/53/37/82/654533782.db2.gz CVUSJUSIKSHCJW-ZBFHGGJFSA-N 0 3 384.571 2.147 20 30 GEEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)C2)s1 ZINC000907344227 654533872 /nfs/dbraw/zinc/53/38/72/654533872.db2.gz DXZFUXSGZZAFSW-ZBFHGGJFSA-N 0 3 384.571 2.289 20 30 GEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C(=O)OC)c1Br ZINC000931085647 654728750 /nfs/dbraw/zinc/72/87/50/654728750.db2.gz AXFICBPPUCOUAN-UHFFFAOYSA-N 0 3 382.258 2.312 20 30 GEEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCC2 ZINC001164877656 721145165 /nfs/dbraw/zinc/14/51/65/721145165.db2.gz PPCMELRBBKLISL-WOJBJXKFSA-N 0 3 375.476 2.317 20 30 GEEDHN Cc1ccc(CC#N)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164893821 721438757 /nfs/dbraw/zinc/43/87/57/721438757.db2.gz KSZIIAHQFHDRMC-RBBKRZOGSA-N 0 3 383.540 2.222 20 30 GEEDHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164985871 722100251 /nfs/dbraw/zinc/10/02/51/722100251.db2.gz XHOXARFWCTZOIW-PXNSSMCTSA-N 0 3 379.464 2.084 20 30 GEEDHN CCCN1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155089773 531655257 /nfs/dbraw/zinc/65/52/57/531655257.db2.gz JUQPBCSQQKCYFP-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155220577 531666700 /nfs/dbraw/zinc/66/67/00/531666700.db2.gz OHIPPRZJWSXKKL-LBPRGKRZSA-N 0 3 386.315 2.283 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000173274440 532001460 /nfs/dbraw/zinc/00/14/60/532001460.db2.gz OWNCOIHDPKBQNI-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@@H]21 ZINC000122476757 532071252 /nfs/dbraw/zinc/07/12/52/532071252.db2.gz PSYNCPFEKICEIC-CJNGLKHVSA-N 0 3 398.326 2.426 20 30 GEEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)n1 ZINC000181773095 532306879 /nfs/dbraw/zinc/30/68/79/532306879.db2.gz LYUPXRKLJONMSU-GFCCVEGCSA-N 0 3 380.495 2.345 20 30 GEEDHN Cc1c(NC(=O)C(=O)NCC(C)(C)N(C)C)ccc(Br)c1C#N ZINC000425724177 532390927 /nfs/dbraw/zinc/39/09/27/532390927.db2.gz KDKWTUBKLSKSNV-UHFFFAOYSA-N 0 3 381.274 2.024 20 30 GEEDHN CN(C)[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592757376 532460488 /nfs/dbraw/zinc/46/04/88/532460488.db2.gz KYMVROKHNLOLSP-INIZCTEOSA-N 0 3 391.313 2.310 20 30 GEEDHN CCN1CCC(CNS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000563869024 532511730 /nfs/dbraw/zinc/51/17/30/532511730.db2.gz ZTWAOBNETKVWHV-UHFFFAOYSA-N 0 3 386.315 2.331 20 30 GEEDHN N#Cc1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1Br ZINC000376618600 532621495 /nfs/dbraw/zinc/62/14/95/532621495.db2.gz PEHFZNAPRSJSPA-KBPBESRZSA-N 0 3 379.258 2.305 20 30 GEEDHN COc1ncc(Br)cc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600758038 532681607 /nfs/dbraw/zinc/68/16/07/532681607.db2.gz WJSXZNBGWCZGLS-CQSZACIVSA-N 0 3 384.274 2.014 20 30 GEEDHN C#CCN1CCC(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000299493889 532721855 /nfs/dbraw/zinc/72/18/55/532721855.db2.gz IWJJZYWZRYWFBL-UHFFFAOYSA-N 0 3 392.297 2.157 20 30 GEEDHN Cn1cc([C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]2N)cn1 ZINC000575245202 532719403 /nfs/dbraw/zinc/71/94/03/532719403.db2.gz RFKTUKZVXVAPSR-DZGCQCFKSA-N 0 3 389.257 2.013 20 30 GEEDHN N#C[C@@H]1CC[C@@H](NC[C@H](O)COc2ccc(I)cc2)C1 ZINC000442793149 532735101 /nfs/dbraw/zinc/73/51/01/532735101.db2.gz PPZFVDPWCKJQTL-BNOWGMLFSA-N 0 3 386.233 2.313 20 30 GEEDHN C=CCSCCNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000286582356 532756563 /nfs/dbraw/zinc/75/65/63/532756563.db2.gz VCTJOUYHAGDLND-OAHLLOKOSA-N 0 3 381.567 2.112 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000411532168 532765263 /nfs/dbraw/zinc/76/52/63/532765263.db2.gz KRLBANBTWCFIHX-NSHDSACASA-N 0 3 384.274 2.019 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302058114 532766313 /nfs/dbraw/zinc/76/63/13/532766313.db2.gz BIRHWFISTVGHCT-MRXNPFEDSA-N 0 3 377.286 2.064 20 30 GEEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000286805925 532770091 /nfs/dbraw/zinc/77/00/91/532770091.db2.gz HWEUPLFKRYQUPS-UHFFFAOYSA-N 0 3 386.315 2.283 20 30 GEEDHN CN(CCn1cc(Br)cn1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000588986965 532773582 /nfs/dbraw/zinc/77/35/82/532773582.db2.gz SGUPTMADOTZLFC-INIZCTEOSA-N 0 3 393.285 2.083 20 30 GEEDHN Cc1nc(N2CCN(C(=O)NC[C@@]3(N(C)C)CCSC3)CC2)sc1C ZINC000328664954 532794954 /nfs/dbraw/zinc/79/49/54/532794954.db2.gz CCACPPUVPWYPBG-KRWDZBQOSA-N 0 3 383.587 2.233 20 30 GEEDHN C[C@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH]cnc3C2)c2ccsc2S1(=O)=O ZINC000329696454 532810008 /nfs/dbraw/zinc/81/00/08/532810008.db2.gz BUHYCYNBXJCQQG-KWBADKCTSA-N 0 3 380.495 2.139 20 30 GEEDHN C[C@H]1C[C@H](NC([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)c2ccsc2S1(=O)=O ZINC000329696454 532810009 /nfs/dbraw/zinc/81/00/09/532810009.db2.gz BUHYCYNBXJCQQG-KWBADKCTSA-N 0 3 380.495 2.139 20 30 GEEDHN C[C@H]1C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)c2ccsc2S1(=O)=O ZINC000329696454 532810012 /nfs/dbraw/zinc/81/00/12/532810012.db2.gz BUHYCYNBXJCQQG-KWBADKCTSA-N 0 3 380.495 2.139 20 30 GEEDHN C[C@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH]cnc3C2)c2ccsc2S1(=O)=O ZINC000329696453 532810139 /nfs/dbraw/zinc/81/01/39/532810139.db2.gz BUHYCYNBXJCQQG-CWSCBRNRSA-N 0 3 380.495 2.139 20 30 GEEDHN C[C@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)c2ccsc2S1(=O)=O ZINC000329696453 532810140 /nfs/dbraw/zinc/81/01/40/532810140.db2.gz BUHYCYNBXJCQQG-CWSCBRNRSA-N 0 3 380.495 2.139 20 30 GEEDHN C[C@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)c2ccsc2S1(=O)=O ZINC000329696453 532810142 /nfs/dbraw/zinc/81/01/42/532810142.db2.gz BUHYCYNBXJCQQG-CWSCBRNRSA-N 0 3 380.495 2.139 20 30 GEEDHN O=C(N[C@@H](CO)CN1CCCCC1)c1cccc(I)c1 ZINC000330611271 532822095 /nfs/dbraw/zinc/82/20/95/532822095.db2.gz PSZYPKFIPWGREY-CQSZACIVSA-N 0 3 388.249 2.443 20 30 GEEDHN N#Cc1ncccc1S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000276988174 532905265 /nfs/dbraw/zinc/90/52/65/532905265.db2.gz ICCYMJYPRRZEMG-UHFFFAOYSA-N 0 3 376.507 2.205 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000367743727 532926927 /nfs/dbraw/zinc/92/69/27/532926927.db2.gz ARUGHIOTLNKWCK-LBPRGKRZSA-N 0 3 384.299 2.180 20 30 GEEDHN N#Cc1cc(Br)ccc1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000367849228 532927979 /nfs/dbraw/zinc/92/79/79/532927979.db2.gz OBCINMKHJZABFE-QGZVFWFLSA-N 0 3 391.313 2.235 20 30 GEEDHN CC[NH+](CC)CC#C[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821181175 607322494 /nfs/dbraw/zinc/32/24/94/607322494.db2.gz KMEYIFCRLOFDRT-HNNXBMFYSA-N 0 3 385.468 2.301 20 30 GEEDHN Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000822399529 606515028 /nfs/dbraw/zinc/51/50/28/606515028.db2.gz ISEBLCPOIIQLEM-UHFFFAOYSA-N 0 3 388.435 2.297 20 30 GEEDHN Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000822399529 606515030 /nfs/dbraw/zinc/51/50/30/606515030.db2.gz ISEBLCPOIIQLEM-UHFFFAOYSA-N 0 3 388.435 2.297 20 30 GEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108391 650060222 /nfs/dbraw/zinc/06/02/22/650060222.db2.gz VIRCFYQEIWYJCJ-NHYWBVRUSA-N 0 3 378.270 2.298 20 30 GEEDHN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451422107 650112702 /nfs/dbraw/zinc/11/27/02/650112702.db2.gz ABZVVSFBWOQCCB-SNVBAGLBSA-N 0 3 392.294 2.468 20 30 GEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1=CCN(C)CC1 ZINC000500630663 650381578 /nfs/dbraw/zinc/38/15/78/650381578.db2.gz HDROSOITLKQMFR-LLVKDONJSA-N 0 3 391.269 2.026 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000480734539 650629820 /nfs/dbraw/zinc/62/98/20/650629820.db2.gz QKHQYVNUWCLIMV-SJORKVTESA-N 0 3 383.514 2.039 20 30 GEEDHN N#CCCCOc1cccc(CNCCNS(=O)(=O)c2cccs2)c1 ZINC000533330515 650760283 /nfs/dbraw/zinc/76/02/83/650760283.db2.gz XGNQIYZLOOEVEK-UHFFFAOYSA-N 0 3 379.507 2.499 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112483680 643363924 /nfs/dbraw/zinc/36/39/24/643363924.db2.gz BIMZRIIIWXMFNP-NWDGAFQWSA-N 0 3 383.242 2.078 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1ccc(Br)cc1F ZINC000120375140 643601537 /nfs/dbraw/zinc/60/15/37/643601537.db2.gz LNNLAVFJXLJFTB-ZDUSSCGKSA-N 0 3 385.233 2.382 20 30 GEEDHN N#Cc1ccc2ncc(CNCCNC(=O)c3ccc(Br)cc3)n2c1 ZINC000123412697 643669017 /nfs/dbraw/zinc/66/90/17/643669017.db2.gz KMMQBRZFGAGZES-UHFFFAOYSA-N 0 3 398.264 2.488 20 30 GEEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498664555 650862143 /nfs/dbraw/zinc/86/21/43/650862143.db2.gz ABAJAFXBTUYPRH-CQSZACIVSA-N 0 3 393.285 2.250 20 30 GEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498664552 650862181 /nfs/dbraw/zinc/86/21/81/650862181.db2.gz ABAJAFXBTUYPRH-AWEZNQCLSA-N 0 3 393.285 2.250 20 30 GEEDHN C#CCOc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127869617 643788767 /nfs/dbraw/zinc/78/87/67/643788767.db2.gz MMZILSNANHHOIA-UHFFFAOYSA-N 0 3 384.910 2.482 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)ccc1F ZINC000136387768 643919218 /nfs/dbraw/zinc/91/92/18/643919218.db2.gz WZPJCWAASIHKQX-CYBMUJFWSA-N 0 3 385.233 2.382 20 30 GEEDHN C=CCN1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000173101799 644352454 /nfs/dbraw/zinc/35/24/54/644352454.db2.gz GSBOEWLZOMBAJA-UHFFFAOYSA-N 0 3 381.270 2.407 20 30 GEEDHN C=CCN1CCC(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000264499868 645686087 /nfs/dbraw/zinc/68/60/87/645686087.db2.gz QELMZPWSVYVGNF-OAHLLOKOSA-N 0 3 377.432 2.358 20 30 GEEDHN C=CCN1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000271068549 646170263 /nfs/dbraw/zinc/17/02/63/646170263.db2.gz NKYQXFNFSMCOEP-MRXNPFEDSA-N 0 3 382.302 2.432 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000278611824 646530602 /nfs/dbraw/zinc/53/06/02/646530602.db2.gz BPSYBBWBIKRMLZ-CZUORRHYSA-N 0 3 398.326 2.426 20 30 GEEDHN CCS(=O)(=O)C[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733197805 651693379 /nfs/dbraw/zinc/69/33/79/651693379.db2.gz SHLORTYFHASISQ-STQMWFEESA-N 0 3 379.507 2.228 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccccc2Br)nc1 ZINC000573676000 651972736 /nfs/dbraw/zinc/97/27/36/651972736.db2.gz GAVGVBIFLLBRBW-UHFFFAOYSA-N 0 3 394.294 2.322 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000747816820 652179703 /nfs/dbraw/zinc/17/97/03/652179703.db2.gz YAFBTMWFLHNOQM-HNNXBMFYSA-N 0 3 385.291 2.195 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCCN2CCc3sccc3C2)cc1 ZINC000578412365 652269847 /nfs/dbraw/zinc/26/98/47/652269847.db2.gz HIGRPVBNNYBQPA-UHFFFAOYSA-N 0 3 375.519 2.041 20 30 GEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492941 652452718 /nfs/dbraw/zinc/45/27/18/652452718.db2.gz VLILQUSTFWHRED-CJNGLKHVSA-N 0 3 379.302 2.413 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492943 652452760 /nfs/dbraw/zinc/45/27/60/652452760.db2.gz VLILQUSTFWHRED-XJKSGUPXSA-N 0 3 379.302 2.413 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202487 652476786 /nfs/dbraw/zinc/47/67/86/652476786.db2.gz UCLNXTUNNKJMQW-CZUORRHYSA-N 0 3 379.302 2.413 20 30 GEEDHN CCN1CCN(CCCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593410122 652620440 /nfs/dbraw/zinc/62/04/40/652620440.db2.gz JHJVMWRRMMJWAE-UHFFFAOYSA-N 0 3 393.329 2.007 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1Cc2cccc(C#N)c2C1 ZINC000593673068 652631028 /nfs/dbraw/zinc/63/10/28/652631028.db2.gz UTBSQGPBAOGHTO-ZDUSSCGKSA-N 0 3 376.356 2.088 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000594430012 652648372 /nfs/dbraw/zinc/64/83/72/652648372.db2.gz ZBGJHIJBPCJVLV-AWEZNQCLSA-N 0 3 381.274 2.305 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000601974998 653134730 /nfs/dbraw/zinc/13/47/30/653134730.db2.gz XUGBPFMTEUWHBA-INIZCTEOSA-N 0 3 378.881 2.351 20 30 GEEDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc(Br)cc2C#N)C1 ZINC000808263778 653224409 /nfs/dbraw/zinc/22/44/09/653224409.db2.gz FMSLJCZLCHKPMV-OAHLLOKOSA-N 0 3 381.274 2.428 20 30 GEEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cc(Cl)cc(C#N)c1 ZINC000808320441 653227063 /nfs/dbraw/zinc/22/70/63/653227063.db2.gz SYICAIRLEOXPRE-UHFFFAOYSA-N 0 3 382.873 2.354 20 30 GEEDHN C=CCC[C@@H](CO)NCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000641759810 653233233 /nfs/dbraw/zinc/23/32/33/653233233.db2.gz JLSXINDLJBUJAF-WFASDCNBSA-N 0 3 385.302 2.379 20 30 GEEDHN CON=CC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000809686262 653289459 /nfs/dbraw/zinc/28/94/59/653289459.db2.gz FDCQNSYWPBCQFU-UHFFFAOYSA-N 0 3 384.274 2.041 20 30 GEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826843 653338009 /nfs/dbraw/zinc/33/80/09/653338009.db2.gz QDWNTZHRDDGAPW-LSDHHAIUSA-N 0 3 378.270 2.395 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000836275699 653342179 /nfs/dbraw/zinc/34/21/79/653342179.db2.gz NPRWMDOMMVICFW-INIZCTEOSA-N 0 3 393.329 2.282 20 30 GEEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000778179628 653433962 /nfs/dbraw/zinc/43/39/62/653433962.db2.gz XRJXKZHTNQVMBL-KDOFPFPSSA-N 0 3 383.897 2.178 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000876609387 653437549 /nfs/dbraw/zinc/43/75/49/653437549.db2.gz LZTIXOOPIMIVPZ-WCQYABFASA-N 0 3 380.794 2.373 20 30 GEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncc(C#N)cc1Br ZINC000881901759 653748452 /nfs/dbraw/zinc/74/84/52/653748452.db2.gz HRGXYLLQQQFWBM-CQSZACIVSA-N 0 3 380.290 2.070 20 30 GEEDHN Cc1cc(Br)cnc1N=NC1CCN(CCN2CCOCC2)CC1 ZINC000819826797 653758379 /nfs/dbraw/zinc/75/83/79/653758379.db2.gz BCGGCUMOJBDLCN-UHFFFAOYSA-N 0 3 396.333 2.348 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000842683791 653762885 /nfs/dbraw/zinc/76/28/85/653762885.db2.gz RMJXXLLJIZFZFA-OCCSQVGLSA-N 0 3 399.289 2.237 20 30 GEEDHN CN(CCNc1c(C#N)cnc2c(Br)cccc21)CCOCCO ZINC000882951473 653819247 /nfs/dbraw/zinc/81/92/47/653819247.db2.gz GQSDGEKNCNXWTI-UHFFFAOYSA-N 0 3 393.285 2.222 20 30 GEEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885891000 653962173 /nfs/dbraw/zinc/96/21/73/653962173.db2.gz NSQPDKOFMZCFSO-KRWDZBQOSA-N 0 3 392.297 2.233 20 30 GEEDHN C#CCN(C(=O)C1(c2cncc(Br)c2)CC1)C1CCN(C)CC1 ZINC000886577456 653992610 /nfs/dbraw/zinc/99/26/10/653992610.db2.gz JCBHIGQIUAEORU-UHFFFAOYSA-N 0 3 376.298 2.432 20 30 GEEDHN C#CCN(C(=O)Cc1ccc(I)cc1)C1CCN(C)CC1 ZINC000886577827 653992638 /nfs/dbraw/zinc/99/26/38/653992638.db2.gz YTTSQBWPXUJOPM-UHFFFAOYSA-N 0 3 396.272 2.390 20 30 GEEDHN CC(=O)c1cc(Br)ccc1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000796770192 654008089 /nfs/dbraw/zinc/00/80/89/654008089.db2.gz AUNWZGUWLPDUPG-CQSZACIVSA-N 0 3 393.237 2.362 20 30 GEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877751 654045295 /nfs/dbraw/zinc/04/52/95/654045295.db2.gz BWXJAXKXCRDRQE-FMKPAKJESA-N 0 3 387.933 2.275 20 30 GEEDHN C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000888416296 654082439 /nfs/dbraw/zinc/08/24/39/654082439.db2.gz ZQRKSELNAKJLFS-RYUDHWBXSA-N 0 3 382.921 2.158 20 30 GEEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799931839 654121484 /nfs/dbraw/zinc/12/14/84/654121484.db2.gz FBSWQPYMZYRALT-INIZCTEOSA-N 0 3 382.302 2.432 20 30 GEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1cccc(I)c1 ZINC000871280397 654226623 /nfs/dbraw/zinc/22/66/23/654226623.db2.gz GFBKAMKJDOXGOI-BXKDBHETSA-N 0 3 386.189 2.171 20 30 GEEDHN N#Cc1c(Br)cccc1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058776 654360258 /nfs/dbraw/zinc/36/02/58/654360258.db2.gz SRLKXGDRJLQRAI-LBPRGKRZSA-N 0 3 376.210 2.031 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905557111 654365967 /nfs/dbraw/zinc/36/59/67/654365967.db2.gz SOBKUQPDZCNWHO-UKRRQHHQSA-N 0 3 376.400 2.422 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000855698141 654434550 /nfs/dbraw/zinc/43/45/50/654434550.db2.gz LNOMUHKKAIDXLM-INIZCTEOSA-N 0 3 393.281 2.125 20 30 GEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc(Br)c1C#N ZINC000923264075 654440220 /nfs/dbraw/zinc/44/02/20/654440220.db2.gz FOZGCVCIUWUQJL-QWHCGFSZSA-N 0 3 378.270 2.395 20 30 GEEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)C2)s1 ZINC000907344226 654533769 /nfs/dbraw/zinc/53/37/69/654533769.db2.gz DXZFUXSGZZAFSW-HOCLYGCPSA-N 0 3 384.571 2.289 20 30 GEEDHN C#CCN(C)CCCN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C1=O ZINC000925313085 654541022 /nfs/dbraw/zinc/54/10/22/654541022.db2.gz LMCIEGNXFNJMGP-HNNXBMFYSA-N 0 3 394.269 2.006 20 30 GEEDHN O=C(NCCN[C@@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407903 654543826 /nfs/dbraw/zinc/54/38/26/654543826.db2.gz HHKXBGAWVGUQSF-PHODEOQFSA-N 0 3 391.269 2.338 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928459207 654648205 /nfs/dbraw/zinc/64/82/05/654648205.db2.gz VICYMPSAIPSNJW-SMDDNHRTSA-N 0 3 396.285 2.307 20 30 GEEDHN C#CCNC(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942527 654795037 /nfs/dbraw/zinc/79/50/37/654795037.db2.gz HTHOINVIWSBPIV-RKDXNWHRSA-N 0 3 378.263 2.229 20 30 GEEDHN C[C@H]1CSCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000934304893 654843599 /nfs/dbraw/zinc/84/35/99/654843599.db2.gz UWLLKJWRPIMXES-JKSUJKDBSA-N 0 3 378.567 2.284 20 30 GEEDHN C=C(C)CNC(=S)NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000916121481 654889299 /nfs/dbraw/zinc/88/92/99/654889299.db2.gz KBAZNSYLQVQWGD-UHFFFAOYSA-N 0 3 377.583 2.070 20 30 GEEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906043 721553277 /nfs/dbraw/zinc/55/32/77/721553277.db2.gz IJVBAPDTKIAORW-MJGOQNOKSA-N 0 3 396.466 2.478 20 30 GEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000152900700 531577173 /nfs/dbraw/zinc/57/71/73/531577173.db2.gz WPXWRPHZIKGLRU-CZUORRHYSA-N 0 3 398.326 2.426 20 30 GEEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)cc(Cl)c1OCC(N)=O ZINC000041517166 531665108 /nfs/dbraw/zinc/66/51/08/531665108.db2.gz NZZLQWOMMGOLKX-SNVBAGLBSA-N 0 3 379.825 2.468 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000173273355 532000499 /nfs/dbraw/zinc/00/04/99/532000499.db2.gz MVYDOPVIGBTTIB-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000173271957 532001054 /nfs/dbraw/zinc/00/10/54/532001054.db2.gz WUFURZYHIWASDQ-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000173275747 532001219 /nfs/dbraw/zinc/00/12/19/532001219.db2.gz YRTURGNVYUAOME-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN CN(C)CCNC(=O)C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181166273 532292366 /nfs/dbraw/zinc/29/23/66/532292366.db2.gz OGGGRGSIVBVVMB-UHFFFAOYSA-N 0 3 393.329 2.211 20 30 GEEDHN C#CCOc1ccc(Br)cc1CNC[C@H]1COC2(CCOCC2)O1 ZINC000181074745 532290264 /nfs/dbraw/zinc/29/02/64/532290264.db2.gz PAPATKDDLYMFQS-INIZCTEOSA-N 0 3 396.281 2.473 20 30 GEEDHN C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCCC1 ZINC000592759417 532460347 /nfs/dbraw/zinc/46/03/47/532460347.db2.gz YSVAHHFLUJJWFQ-CYBMUJFWSA-N 0 3 391.313 2.357 20 30 GEEDHN CCN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592763285 532460928 /nfs/dbraw/zinc/46/09/28/532460928.db2.gz SFZVUVMQOUXXCZ-UHFFFAOYSA-N 0 3 391.313 2.311 20 30 GEEDHN CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1N(C)C ZINC000593560336 532488682 /nfs/dbraw/zinc/48/86/82/532488682.db2.gz DPUFUYYAIJLSPD-HUUCEWRRSA-N 0 3 382.327 2.367 20 30 GEEDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000595090026 532543904 /nfs/dbraw/zinc/54/39/04/532543904.db2.gz BUAPMARSDLXTKA-GFCCVEGCSA-N 0 3 393.285 2.248 20 30 GEEDHN C=CCSCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000286439845 532747314 /nfs/dbraw/zinc/74/73/14/532747314.db2.gz HYAPEPGNAXJOLE-UHFFFAOYSA-N 0 3 381.567 2.112 20 30 GEEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000410157155 532735859 /nfs/dbraw/zinc/73/58/59/532735859.db2.gz WSANOTQQHWYHGD-INIZCTEOSA-N 0 3 388.603 2.054 20 30 GEEDHN O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@H]1CCN(C2CC2)C1 ZINC000329336906 532805659 /nfs/dbraw/zinc/80/56/59/532805659.db2.gz YEHGPRHFJDQJKM-LBPRGKRZSA-N 0 3 391.269 2.352 20 30 GEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709609 532807513 /nfs/dbraw/zinc/80/75/13/532807513.db2.gz GEZOUHFRWDESSC-IUODEOHRSA-N 0 3 398.326 2.426 20 30 GEEDHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000288009547 532814544 /nfs/dbraw/zinc/81/45/44/532814544.db2.gz NAGLVVSHCDHKJQ-UHFFFAOYSA-N 0 3 393.285 2.202 20 30 GEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288050490 532816093 /nfs/dbraw/zinc/81/60/93/532816093.db2.gz OWLKNAFCHMMJNH-UHFFFAOYSA-N 0 3 393.285 2.059 20 30 GEEDHN O=C(N[C@H](CO)CN1CCCCC1)c1cccc(I)c1 ZINC000330611270 532822264 /nfs/dbraw/zinc/82/22/64/532822264.db2.gz PSZYPKFIPWGREY-AWEZNQCLSA-N 0 3 388.249 2.443 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@H]21 ZINC000288270604 532823026 /nfs/dbraw/zinc/82/30/26/532823026.db2.gz UOYSXNBGEPLPDM-SWLSCSKDSA-N 0 3 398.326 2.426 20 30 GEEDHN COc1ccc(Br)c(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000330813501 532827657 /nfs/dbraw/zinc/82/76/57/532827657.db2.gz CMTKYKOEERTOBL-AWEZNQCLSA-N 0 3 386.290 2.134 20 30 GEEDHN N#Cc1ccccc1OCCN1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000328646194 209152986 /nfs/dbraw/zinc/15/29/86/209152986.db2.gz SMTBTRFEKPQDHE-IBGZPJMESA-N 0 3 395.507 2.372 20 30 GEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)C1 ZINC000292843377 532919228 /nfs/dbraw/zinc/91/92/28/532919228.db2.gz PTVBMQRBKQNVBW-MRXNPFEDSA-N 0 3 398.326 2.427 20 30 GEEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1=CCN(C)CC1 ZINC000294400732 532938582 /nfs/dbraw/zinc/93/85/82/532938582.db2.gz SLRNLIVMKCWHQA-LLVKDONJSA-N 0 3 391.269 2.026 20 30 GEEDHN Clc1cnccc1N=NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822591114 606768723 /nfs/dbraw/zinc/76/87/23/606768723.db2.gz RCUBSHJZJYOWNI-UHFFFAOYSA-N 0 3 382.859 2.401 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000821586442 607114824 /nfs/dbraw/zinc/11/48/24/607114824.db2.gz YATPQJABGTUKCF-UHFFFAOYSA-N 0 3 392.423 2.215 20 30 GEEDHN C[NH+](C)CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825870703 608536009 /nfs/dbraw/zinc/53/60/09/608536009.db2.gz YXBINAWICBQVNL-UHFFFAOYSA-N 0 3 386.847 2.302 20 30 GEEDHN C[NH+](C)CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825870703 608536011 /nfs/dbraw/zinc/53/60/11/608536011.db2.gz YXBINAWICBQVNL-UHFFFAOYSA-N 0 3 386.847 2.302 20 30 GEEDHN N#Cc1c(N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc2ccccn12 ZINC000826383945 609458109 /nfs/dbraw/zinc/45/81/09/609458109.db2.gz YSJRTQIXQAMRGY-UHFFFAOYSA-N 0 3 399.462 2.098 20 30 GEEDHN N#Cc1c(N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc2ccccn12 ZINC000826383945 609458111 /nfs/dbraw/zinc/45/81/11/609458111.db2.gz YSJRTQIXQAMRGY-UHFFFAOYSA-N 0 3 399.462 2.098 20 30 GEEDHN CS[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1N(C)C ZINC000450266727 650063256 /nfs/dbraw/zinc/06/32/56/650063256.db2.gz STRBNXXGBMMATM-ZFWWWQNUSA-N 0 3 398.326 2.204 20 30 GEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000486242242 650709824 /nfs/dbraw/zinc/70/98/24/650709824.db2.gz DWCGHOBHOJNWJP-KRWDZBQOSA-N 0 3 396.304 2.493 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112483646 643363887 /nfs/dbraw/zinc/36/38/87/643363887.db2.gz VAUVEJVMKRLUAT-STQMWFEESA-N 0 3 397.269 2.468 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112483647 643363937 /nfs/dbraw/zinc/36/39/37/643363937.db2.gz VAUVEJVMKRLUAT-QWHCGFSZSA-N 0 3 397.269 2.468 20 30 GEEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCc2nc(C)nn2C1 ZINC000237830688 645444877 /nfs/dbraw/zinc/44/48/77/645444877.db2.gz QPPKQBYTCPCACI-OAHLLOKOSA-N 0 3 375.270 2.466 20 30 GEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246131912 645476852 /nfs/dbraw/zinc/47/68/52/645476852.db2.gz AZKICERPUXTRMW-IAQYHMDHSA-N 0 3 386.315 2.281 20 30 GEEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000274640461 646326217 /nfs/dbraw/zinc/32/62/17/646326217.db2.gz FHPQCJMOTFIPLI-UHFFFAOYSA-N 0 3 383.901 2.135 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000279100985 646577831 /nfs/dbraw/zinc/57/78/31/646577831.db2.gz OHYSFNKVGFLBTK-NSHDSACASA-N 0 3 384.299 2.083 20 30 GEEDHN CN(C)C1(CN(C)S(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416474725 648138945 /nfs/dbraw/zinc/13/89/45/648138945.db2.gz RYKNDFLXIHPPLN-UHFFFAOYSA-N 0 3 386.315 2.426 20 30 GEEDHN CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424122156 648614179 /nfs/dbraw/zinc/61/41/79/648614179.db2.gz GOKVZWFQAICBLN-SNVBAGLBSA-N 0 3 378.376 2.037 20 30 GEEDHN Cc1c(NC(=O)C(=O)N(C)CCN(C)C2CC2)ccc(Br)c1C#N ZINC000425758981 648696088 /nfs/dbraw/zinc/69/60/88/648696088.db2.gz SURRHCHYAISTFQ-UHFFFAOYSA-N 0 3 393.285 2.120 20 30 GEEDHN Brc1ccc(CNN=C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000731557866 651628036 /nfs/dbraw/zinc/62/80/36/651628036.db2.gz ADTJTGOMQUVTRE-UHFFFAOYSA-N 0 3 395.345 2.323 20 30 GEEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H](C)CS(C)(=O)=O ZINC000732985980 651683692 /nfs/dbraw/zinc/68/36/92/651683692.db2.gz XQHKBKIHNCIMQB-OLZOCXBDSA-N 0 3 379.507 2.228 20 30 GEEDHN N#Cc1ccc(Br)c(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000576822170 652145900 /nfs/dbraw/zinc/14/59/00/652145900.db2.gz XSNOYNARNCMXML-MRXNPFEDSA-N 0 3 391.313 2.107 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000747816760 652179756 /nfs/dbraw/zinc/17/97/56/652179756.db2.gz VIRJXFJSQZGQMX-HNNXBMFYSA-N 0 3 385.291 2.195 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2cc(I)ccc2O)CC1 ZINC000747975473 652186870 /nfs/dbraw/zinc/18/68/70/652186870.db2.gz VMDWFFOUKKGIKC-UHFFFAOYSA-N 0 3 384.217 2.281 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492942 652452695 /nfs/dbraw/zinc/45/26/95/652452695.db2.gz VLILQUSTFWHRED-CZUORRHYSA-N 0 3 379.302 2.413 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccc(I)s1 ZINC000594436159 652649392 /nfs/dbraw/zinc/64/93/92/652649392.db2.gz IUUVDEUVFYZCGM-NSHDSACASA-N 0 3 391.278 2.423 20 30 GEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H](CO)c1cccc(Br)c1 ZINC000599356154 652863622 /nfs/dbraw/zinc/86/36/22/652863622.db2.gz ADPMATVLRWHIMT-IRXDYDNUSA-N 0 3 391.265 2.384 20 30 GEEDHN N#CC1(C[C@H](O)CN[C@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357390 652863694 /nfs/dbraw/zinc/86/36/94/652863694.db2.gz QAGIDRFRZMQBRE-JKSUJKDBSA-N 0 3 383.286 2.143 20 30 GEEDHN CCN(CC)S(=O)(=O)c1ccc(CCNCc2cccc(C#N)n2)s1 ZINC000602538118 653189676 /nfs/dbraw/zinc/18/96/76/653189676.db2.gz ICKVUXJWUHOWME-UHFFFAOYSA-N 0 3 378.523 2.378 20 30 GEEDHN C#CCOc1ccc(Br)cc1CNC[C@H]1CCCS(=O)(=O)C1 ZINC000808426275 653229289 /nfs/dbraw/zinc/22/92/89/653229289.db2.gz ABXVVNOERZEWFV-CYBMUJFWSA-N 0 3 386.311 2.376 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000876686207 653442383 /nfs/dbraw/zinc/44/23/83/653442383.db2.gz SHHAKWGLSVISMO-BBRMVZONSA-N 0 3 384.307 2.412 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000876966194 653456692 /nfs/dbraw/zinc/45/66/92/653456692.db2.gz QVZVFCSHWUFUAO-RYUDHWBXSA-N 0 3 375.650 2.249 20 30 GEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)O1 ZINC000860473168 653627810 /nfs/dbraw/zinc/62/78/10/653627810.db2.gz IYZZTDNVVASHGZ-UPJWGTAASA-N 0 3 385.203 2.361 20 30 GEEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)N1CCCCC1 ZINC000815401518 653658445 /nfs/dbraw/zinc/65/84/45/653658445.db2.gz BNPMSGJWJZKWTR-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000861872451 653669582 /nfs/dbraw/zinc/66/95/82/653669582.db2.gz PNROGWOZQMNDII-UHFFFAOYSA-N 0 3 398.326 2.181 20 30 GEEDHN C#C[C@H](NC(=O)N(CCOC)CCN(C)C)c1ccc(Br)cc1 ZINC000820617639 653778861 /nfs/dbraw/zinc/77/88/61/653778861.db2.gz SUPHQFRSRQJIQH-INIZCTEOSA-N 0 3 382.302 2.343 20 30 GEEDHN C#CCN1CCC(Nc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000895810571 653850953 /nfs/dbraw/zinc/85/09/53/653850953.db2.gz FVTGWNIRYWTRON-UHFFFAOYSA-N 0 3 393.207 2.078 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000916892493 654110409 /nfs/dbraw/zinc/11/04/09/654110409.db2.gz MIBBUPDJWBMMNT-CQSZACIVSA-N 0 3 377.853 2.477 20 30 GEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1 ZINC000916933253 654111341 /nfs/dbraw/zinc/11/13/41/654111341.db2.gz BEDCVGNOHYNCGJ-NSHDSACASA-N 0 3 377.198 2.002 20 30 GEEDHN C[C@@]1(NC(=O)COc2ccc(C#N)c(Br)c2)CN2CCC1CC2 ZINC000892766179 654363428 /nfs/dbraw/zinc/36/34/28/654363428.db2.gz LCFXQBBLTTYHJC-QGZVFWFLSA-N 0 3 378.270 2.300 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905554018 654365549 /nfs/dbraw/zinc/36/55/49/654365549.db2.gz CYOLKKXKBOAWOK-ZFWWWQNUSA-N 0 3 376.400 2.422 20 30 GEEDHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000922106768 654367708 /nfs/dbraw/zinc/36/77/08/654367708.db2.gz TULSKMNUAIMPGU-DOMZBBRYSA-N 0 3 386.315 2.128 20 30 GEEDHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922106769 654367857 /nfs/dbraw/zinc/36/78/57/654367857.db2.gz TULSKMNUAIMPGU-IUODEOHRSA-N 0 3 386.315 2.128 20 30 GEEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979816 654495320 /nfs/dbraw/zinc/49/53/20/654495320.db2.gz CBZBQDVDDPVXCV-XHDPSFHLSA-N 0 3 386.315 2.281 20 30 GEEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)C2)s1 ZINC000907344224 654533842 /nfs/dbraw/zinc/53/38/42/654533842.db2.gz DXZFUXSGZZAFSW-GDBMZVCRSA-N 0 3 384.571 2.289 20 30 GEEDHN O=C(NCCN[C@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407901 654544067 /nfs/dbraw/zinc/54/40/67/654544067.db2.gz HHKXBGAWVGUQSF-CMTMBAJVSA-N 0 3 391.269 2.338 20 30 GEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]23C[C@H]2CCCN3)nc1C ZINC000912215234 654746373 /nfs/dbraw/zinc/74/63/73/654746373.db2.gz URSOFNIFTUTOFH-HWPZZCPQSA-N 0 3 376.511 2.265 20 30 GEEDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000933437567 654813168 /nfs/dbraw/zinc/81/31/68/654813168.db2.gz PFUNFMDVFDEBPR-ZWKOTPCHSA-N 0 3 394.313 2.141 20 30 GEEDHN CNC(=O)CN1CCCC12CCN(c1cc(C#C[Si](C)(C)C)ccn1)CC2 ZINC001164689327 719752538 /nfs/dbraw/zinc/75/25/38/719752538.db2.gz BBGPNGNFBPXGHE-UHFFFAOYSA-N 0 3 384.600 2.491 20 30 GEEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164748964 720802402 /nfs/dbraw/zinc/80/24/02/720802402.db2.gz SDJMFALRUMDAKR-RTBURBONSA-N 0 3 393.567 2.442 20 30 GEEDHN Cc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1CC#N ZINC001164889499 721438761 /nfs/dbraw/zinc/43/87/61/721438761.db2.gz BEPDDTKVIOIEAX-IFMALSPDSA-N 0 3 383.540 2.222 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000173276355 532000473 /nfs/dbraw/zinc/00/04/73/532000473.db2.gz OZUHICKQWWBPFH-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCCS1 ZINC000132364088 532213475 /nfs/dbraw/zinc/21/34/75/532213475.db2.gz STIFGWPYQRFYLT-QGZVFWFLSA-N 0 3 378.567 2.480 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000179669013 532241193 /nfs/dbraw/zinc/24/11/93/532241193.db2.gz ZFLWBEBDZHIWKQ-UHFFFAOYSA-N 0 3 395.301 2.248 20 30 GEEDHN CN(CCC#N)C(=O)CCNC(C)(C)COc1ncccc1Br ZINC000181517621 532300328 /nfs/dbraw/zinc/30/03/28/532300328.db2.gz UYQGYPSKKQGTMW-UHFFFAOYSA-N 0 3 383.290 2.353 20 30 GEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H]1COC2(CCOCC2)O1 ZINC000181074724 532289827 /nfs/dbraw/zinc/28/98/27/532289827.db2.gz PAPATKDDLYMFQS-MRXNPFEDSA-N 0 3 396.281 2.473 20 30 GEEDHN CCN(CC)CC(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191783147 532366404 /nfs/dbraw/zinc/36/64/04/532366404.db2.gz BCDYHZLNIVBLKC-UHFFFAOYSA-N 0 3 393.329 2.307 20 30 GEEDHN C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N(C)C1CC1 ZINC000592756470 532460114 /nfs/dbraw/zinc/46/01/14/532460114.db2.gz AOOWENSZGIOQRF-LBPRGKRZSA-N 0 3 391.313 2.356 20 30 GEEDHN CN1CCC[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592763416 532460983 /nfs/dbraw/zinc/46/09/83/532460983.db2.gz WYHZUYVSKOZHLT-ZDUSSCGKSA-N 0 3 391.313 2.215 20 30 GEEDHN CCN1CCN([C@@H](C)CNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593465367 532484034 /nfs/dbraw/zinc/48/40/34/532484034.db2.gz QTZPNGRIFCTOIM-AWEZNQCLSA-N 0 3 393.329 2.005 20 30 GEEDHN C#CCN(C)CCCNC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000296463241 532523280 /nfs/dbraw/zinc/52/32/80/532523280.db2.gz WBHNFKGDMYLKAE-UHFFFAOYSA-N 0 3 398.301 2.221 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000285003658 532639172 /nfs/dbraw/zinc/63/91/72/532639172.db2.gz MDZJTWONNOGNIB-UHFFFAOYSA-N 0 3 384.307 2.419 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccsc2)cc1 ZINC000481043632 532664764 /nfs/dbraw/zinc/66/47/64/532664764.db2.gz WWTJZRQOZRDVDG-ABAIWWIYSA-N 0 3 379.463 2.289 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3ncsc3C2)cc1 ZINC000481045925 532665231 /nfs/dbraw/zinc/66/52/31/532665231.db2.gz ZCBBIHWKPVRKSZ-NSHDSACASA-N 0 3 376.463 2.419 20 30 GEEDHN CCN(CCC#N)C(=O)CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572711 532665955 /nfs/dbraw/zinc/66/59/55/532665955.db2.gz GLBYSNAEACACBL-SFHVURJKSA-N 0 3 394.313 2.021 20 30 GEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C2CCN(C)CC2)nc1C ZINC000266122271 532703545 /nfs/dbraw/zinc/70/35/45/532703545.db2.gz MTIFIWVGXNNADC-UHFFFAOYSA-N 0 3 378.527 2.465 20 30 GEEDHN C[C@@H](NC(=O)COc1cccc(Br)c1C#N)C1=CCN(C)CC1 ZINC000450755487 532759700 /nfs/dbraw/zinc/75/97/00/532759700.db2.gz JMDZDBNYZVFJKC-GFCCVEGCSA-N 0 3 378.270 2.466 20 30 GEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819126 532810360 /nfs/dbraw/zinc/81/03/60/532810360.db2.gz PILXISMQTIJOAG-XHDPSFHLSA-N 0 3 393.285 2.058 20 30 GEEDHN C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)CN1CCCC1 ZINC000331197766 532835692 /nfs/dbraw/zinc/83/56/92/532835692.db2.gz OETDRXZOJJEXDZ-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@H]2CNCCN2C)cc1OC ZINC000414959440 532835933 /nfs/dbraw/zinc/83/59/33/532835933.db2.gz FMUHMABKPFHPBA-CQSZACIVSA-N 0 3 384.318 2.016 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)Cc1cccc(C#N)c1 ZINC000289149389 532848510 /nfs/dbraw/zinc/84/85/10/532848510.db2.gz MVXKBSJALYHLQB-ZDUSSCGKSA-N 0 3 378.372 2.204 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000364187231 532904427 /nfs/dbraw/zinc/90/44/27/532904427.db2.gz ZZOGNDVJBFLMQV-NVXWUHKLSA-N 0 3 379.844 2.466 20 30 GEEDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292909328 532919762 /nfs/dbraw/zinc/91/97/62/532919762.db2.gz WTECFZIBPPHHQT-INIZCTEOSA-N 0 3 398.326 2.427 20 30 GEEDHN CN1CC[C@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@H]1c1cccs1 ZINC000367732456 532926821 /nfs/dbraw/zinc/92/68/21/532926821.db2.gz ZNHZVXNNGVACAF-DYVFJYSZSA-N 0 3 376.507 2.372 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000367743726 532927022 /nfs/dbraw/zinc/92/70/22/532927022.db2.gz ARUGHIOTLNKWCK-GFCCVEGCSA-N 0 3 384.299 2.180 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000735418654 598731835 /nfs/dbraw/zinc/73/18/35/598731835.db2.gz HXIQQWRRXYLOFI-SFHVURJKSA-N 0 3 383.500 2.439 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000735418654 598731837 /nfs/dbraw/zinc/73/18/37/598731837.db2.gz HXIQQWRRXYLOFI-SFHVURJKSA-N 0 3 383.500 2.439 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821586102 606494190 /nfs/dbraw/zinc/49/41/90/606494190.db2.gz JTRXINULHSZHGU-UHFFFAOYSA-N 0 3 381.465 2.004 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821586102 606494192 /nfs/dbraw/zinc/49/41/92/606494192.db2.gz JTRXINULHSZHGU-UHFFFAOYSA-N 0 3 381.465 2.004 20 30 GEEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451170375 650092713 /nfs/dbraw/zinc/09/27/13/650092713.db2.gz DZHQJGLFKKWYOI-UHFFFAOYSA-N 0 3 387.933 2.385 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000518192435 650602452 /nfs/dbraw/zinc/60/24/52/650602452.db2.gz JPWAUGLMBFMDEI-INIZCTEOSA-N 0 3 379.302 2.114 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000103036348 643151027 /nfs/dbraw/zinc/15/10/27/643151027.db2.gz OEHCKHDZFJHUGI-QGZVFWFLSA-N 0 3 390.325 2.489 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1 ZINC000124180609 643682504 /nfs/dbraw/zinc/68/25/04/643682504.db2.gz BEJKPXJCPZDGQY-CQSZACIVSA-N 0 3 383.242 2.080 20 30 GEEDHN N#CC(C(=O)COc1ccc(I)cc1)C(=O)N1CCCC1 ZINC000124705160 643689488 /nfs/dbraw/zinc/68/94/88/643689488.db2.gz RRZHASOBPRFURA-CYBMUJFWSA-N 0 3 398.200 2.001 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2cc(Br)ccc2-n2cncn2)CC1 ZINC000127837315 643787368 /nfs/dbraw/zinc/78/73/68/643787368.db2.gz BUABTVKXUIOTFJ-UHFFFAOYSA-N 0 3 388.269 2.314 20 30 GEEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000130467163 643840147 /nfs/dbraw/zinc/84/01/47/643840147.db2.gz WIZAICWRPBJFOG-TVQRCGJNSA-N 0 3 383.235 2.431 20 30 GEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000247652782 645515592 /nfs/dbraw/zinc/51/55/92/645515592.db2.gz WPXWRPHZIKGLRU-XJKSGUPXSA-N 0 3 398.326 2.426 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000249723851 645559163 /nfs/dbraw/zinc/55/91/63/645559163.db2.gz FHFFXWAKLSQHFD-RRFJBIMHSA-N 0 3 379.254 2.414 20 30 GEEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC1CCCC1 ZINC000262094890 645617053 /nfs/dbraw/zinc/61/70/53/645617053.db2.gz HOSFMRLAFKQCGZ-UHFFFAOYSA-N 0 3 379.313 2.119 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1Br ZINC000279100981 646577589 /nfs/dbraw/zinc/57/75/89/646577589.db2.gz OHYSFNKVGFLBTK-LLVKDONJSA-N 0 3 384.299 2.083 20 30 GEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419694187 648365750 /nfs/dbraw/zinc/36/57/50/648365750.db2.gz JAHIUYNVEJWLGC-ZDUSSCGKSA-N 0 3 393.285 2.250 20 30 GEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000424081536 648611227 /nfs/dbraw/zinc/61/12/27/648611227.db2.gz VJMVPXGJPYHDCO-AWEZNQCLSA-N 0 3 384.889 2.084 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000424097180 648612997 /nfs/dbraw/zinc/61/29/97/648612997.db2.gz DXRHAFLDQBNDTR-AWEZNQCLSA-N 0 3 383.279 2.299 20 30 GEEDHN Cc1ccc(Br)c(S(=O)(=O)NCCN[C@H]2CC[C@H](C#N)C2)c1 ZINC000556914077 651257068 /nfs/dbraw/zinc/25/70/68/651257068.db2.gz YHJDFHNSYADTRZ-STQMWFEESA-N 0 3 386.315 2.318 20 30 GEEDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCCC2)ccc(Br)c1C#N ZINC000563530747 651530406 /nfs/dbraw/zinc/53/04/06/651530406.db2.gz CFHFFZWSNPHDBW-NSHDSACASA-N 0 3 393.285 2.168 20 30 GEEDHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733311587 651699352 /nfs/dbraw/zinc/69/93/52/651699352.db2.gz WAYMXRDUAVCQIR-UPJWGTAASA-N 0 3 379.507 2.226 20 30 GEEDHN C=CCN1CC[C@H](N[C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796935 652371926 /nfs/dbraw/zinc/37/19/26/652371926.db2.gz NZAKJOPFOLULEO-FUHWJXTLSA-N 0 3 379.298 2.045 20 30 GEEDHN FC(F)(F)c1csc(N=NC2CCN(CCN3CCOCC3)CC2)n1 ZINC000755905607 652481041 /nfs/dbraw/zinc/48/10/41/652481041.db2.gz SKCOWWZIMFMUTP-UHFFFAOYSA-N 0 3 377.436 2.358 20 30 GEEDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000593724181 652633610 /nfs/dbraw/zinc/63/36/10/652633610.db2.gz YLCOMUGUAZNDGJ-UHFFFAOYSA-N 0 3 393.285 2.204 20 30 GEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723644 652831488 /nfs/dbraw/zinc/83/14/88/652831488.db2.gz JFIBQMWWWOUKDS-CABCVRRESA-N 0 3 380.286 2.445 20 30 GEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H](CO)c1cccc(Br)c1 ZINC000599356152 652863763 /nfs/dbraw/zinc/86/37/63/652863763.db2.gz ADPMATVLRWHIMT-DLBZAZTESA-N 0 3 391.265 2.384 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601972772 653134249 /nfs/dbraw/zinc/13/42/49/653134249.db2.gz PAGYTPXVQYWMAA-INIZCTEOSA-N 0 3 378.881 2.351 20 30 GEEDHN C#C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000836282349 653342688 /nfs/dbraw/zinc/34/26/88/653342688.db2.gz LAGYOPGPGKDICX-BBWFWOEESA-N 0 3 392.297 2.286 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000836487828 653355572 /nfs/dbraw/zinc/35/55/72/653355572.db2.gz KMIFWNQSBHPQIE-KRWDZBQOSA-N 0 3 394.313 2.487 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000859249929 653428928 /nfs/dbraw/zinc/42/89/28/653428928.db2.gz BMQRCLMEUSFHEQ-UHFFFAOYSA-N 0 3 391.269 2.290 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000876662962 653442023 /nfs/dbraw/zinc/44/20/23/653442023.db2.gz UNOYBNAIVFXCEX-CHWSQXEVSA-N 0 3 375.778 2.397 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107290 653462810 /nfs/dbraw/zinc/46/28/10/653462810.db2.gz ONCBPFJCIMJINZ-SECBINFHSA-N 0 3 387.186 2.307 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000838623735 653626506 /nfs/dbraw/zinc/62/65/06/653626506.db2.gz KEXGDHULLSTIKQ-INIZCTEOSA-N 0 3 382.302 2.127 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878019048 653626597 /nfs/dbraw/zinc/62/65/97/653626597.db2.gz PIOOGCPQIKCTSH-INIZCTEOSA-N 0 3 385.291 2.195 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000815861160 653666931 /nfs/dbraw/zinc/66/69/31/653666931.db2.gz TYCHWWHOIRWYPR-UHFFFAOYSA-N 0 3 377.535 2.175 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000818595635 653734401 /nfs/dbraw/zinc/73/44/01/653734401.db2.gz GQSJYPDXHBVLON-AWEZNQCLSA-N 0 3 382.291 2.418 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000818606382 653734839 /nfs/dbraw/zinc/73/48/39/653734839.db2.gz QPDGIIMGNPWKDO-CYBMUJFWSA-N 0 3 382.291 2.418 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000818606253 653734848 /nfs/dbraw/zinc/73/48/48/653734848.db2.gz HISTYHWHKDKVAO-CQSZACIVSA-N 0 3 382.291 2.418 20 30 GEEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000842222019 653748953 /nfs/dbraw/zinc/74/89/53/653748953.db2.gz DXYKGWPBPXWEKJ-LBPRGKRZSA-N 0 3 378.479 2.334 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCOc1cccc(Br)c1)C2 ZINC000884100105 653863527 /nfs/dbraw/zinc/86/35/27/653863527.db2.gz JDXNVDJAJRIWPP-JZLYGMAVSA-N 0 3 378.270 2.083 20 30 GEEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cc1OCC ZINC000886258136 653974618 /nfs/dbraw/zinc/97/46/18/653974618.db2.gz WWDQBHPNXULCSA-YOWGUQMCSA-N 0 3 386.286 2.386 20 30 GEEDHN C#CCN(C(=O)c1n[nH]c2ccc(Br)cc21)C1CCN(C)CC1 ZINC000886581318 653992629 /nfs/dbraw/zinc/99/26/29/653992629.db2.gz SHKHCISAQYDWSR-UHFFFAOYSA-N 0 3 375.270 2.495 20 30 GEEDHN COC(=O)[C@H]1CSCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000887075364 654019750 /nfs/dbraw/zinc/01/97/50/654019750.db2.gz CVEGCFHNNHMXAG-WCQYABFASA-N 0 3 375.475 2.063 20 30 GEEDHN C#CCC1(NCCS(=O)(=O)c2cccc(Br)c2)CCOCC1 ZINC000887124475 654021001 /nfs/dbraw/zinc/02/10/01/654021001.db2.gz FYZNNJDRLJGVQZ-UHFFFAOYSA-N 0 3 386.311 2.385 20 30 GEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877753 654045268 /nfs/dbraw/zinc/04/52/68/654045268.db2.gz BWXJAXKXCRDRQE-YCPHGPKFSA-N 0 3 387.933 2.275 20 30 GEEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 ZINC000798815837 654077171 /nfs/dbraw/zinc/07/71/71/654077171.db2.gz DORRNHYTJUJXON-SCZZXKLOSA-N 0 3 377.191 2.365 20 30 GEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1 ZINC000916924288 654110964 /nfs/dbraw/zinc/11/09/64/654110964.db2.gz BCRPULYLYCPCCZ-LBPRGKRZSA-N 0 3 391.225 2.392 20 30 GEEDHN C#CCOc1ccc(Br)cc1CNCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000830609368 654129612 /nfs/dbraw/zinc/12/96/12/654129612.db2.gz FIQJXPLXJNTZPV-CALCHBBNSA-N 0 3 379.298 2.414 20 30 GEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2c(Br)cnn2C)c1 ZINC000892492721 654348302 /nfs/dbraw/zinc/34/83/02/654348302.db2.gz WQFQPXQBGXDXJX-GFCCVEGCSA-N 0 3 391.225 2.081 20 30 GEEDHN N#Cc1ccc(Br)c(CNCC2(O)CCC3(CC2)OCCO3)c1 ZINC000922620479 654404581 /nfs/dbraw/zinc/40/45/81/654404581.db2.gz SQGOCYROHYJDGQ-UHFFFAOYSA-N 0 3 381.270 2.459 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000906202426 654421078 /nfs/dbraw/zinc/42/10/78/654421078.db2.gz UOKUVGVPXSOJJG-UHFFFAOYSA-N 0 3 393.228 2.447 20 30 GEEDHN C=CCN1CCC(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000856859273 654497970 /nfs/dbraw/zinc/49/79/70/654497970.db2.gz GWUWRGCGMVPTCP-UHFFFAOYSA-N 0 3 394.313 2.312 20 30 GEEDHN CN1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932555457 654782066 /nfs/dbraw/zinc/78/20/66/654782066.db2.gz FSQRCQKRENSRCY-NSHDSACASA-N 0 3 384.221 2.379 20 30 GEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438352 654813481 /nfs/dbraw/zinc/81/34/81/654813481.db2.gz VQUXNZJAZYRYQI-ROUUACIJSA-N 0 3 396.329 2.387 20 30 GEEDHN CN(C)C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)c2ccccc2O1 ZINC000914252042 654838850 /nfs/dbraw/zinc/83/88/50/654838850.db2.gz PWFJOYDERANFRG-CQSZACIVSA-N 0 3 377.491 2.279 20 30 GEEDHN N#Cc1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164866037 721061695 /nfs/dbraw/zinc/06/16/95/721061695.db2.gz BXKFRCQTPDOGHL-OALUTQOASA-N 0 3 386.459 2.376 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000155123394 531657621 /nfs/dbraw/zinc/65/76/21/531657621.db2.gz KALMHGJNNKZAOP-NSHDSACASA-N 0 3 384.299 2.083 20 30 GEEDHN C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000171719575 531913614 /nfs/dbraw/zinc/91/36/14/531913614.db2.gz DEEJXECOVVPLKC-UHFFFAOYSA-N 0 3 376.400 2.360 20 30 GEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](C)CS(C)(=O)=O ZINC000122790239 532081980 /nfs/dbraw/zinc/08/19/80/532081980.db2.gz HIDDLLVPHHQTDX-OAHLLOKOSA-N 0 3 386.587 2.265 20 30 GEEDHN N#Cc1cc(Br)ccc1OCC(=O)NC1CCN(C2CC2)CC1 ZINC000131558023 532200034 /nfs/dbraw/zinc/20/00/34/532200034.db2.gz WKLULOSUCUDODF-UHFFFAOYSA-N 0 3 378.270 2.443 20 30 GEEDHN N#Cc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c(Br)c1 ZINC000134791097 532263162 /nfs/dbraw/zinc/26/31/62/532263162.db2.gz BISQHBLDTUDQCX-UHFFFAOYSA-N 0 3 377.286 2.065 20 30 GEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886638 532388030 /nfs/dbraw/zinc/38/80/30/532388030.db2.gz SXSNQPUWMAGMBJ-IAQYHMDHSA-N 0 3 386.315 2.281 20 30 GEEDHN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000517230562 532410505 /nfs/dbraw/zinc/41/05/05/532410505.db2.gz GLLQCHIJDBHYGK-XKQJLSEDSA-N 0 3 384.318 2.321 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594479822 532508896 /nfs/dbraw/zinc/50/88/96/532508896.db2.gz IBTKJJIHRIFFCX-CYBMUJFWSA-N 0 3 376.356 2.088 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000283727451 532552162 /nfs/dbraw/zinc/55/21/62/532552162.db2.gz HEDRWRSERMCVBY-UHFFFAOYSA-N 0 3 394.313 2.222 20 30 GEEDHN CC(C)N1CCN([C@@H]2CCN(c3ncc(Br)cc3C#N)C2)CC1 ZINC000567214402 532644415 /nfs/dbraw/zinc/64/44/15/532644415.db2.gz LOYLSBSNLDWFOH-MRXNPFEDSA-N 0 3 378.318 2.320 20 30 GEEDHN CCCOc1c(Br)cc(CNCCn2cnc(C#N)n2)cc1OC ZINC000285443775 532680130 /nfs/dbraw/zinc/68/01/30/532680130.db2.gz IMQZIEKWCZMERY-UHFFFAOYSA-N 0 3 394.273 2.499 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000299530956 532724897 /nfs/dbraw/zinc/72/48/97/532724897.db2.gz STQXULCVVGLKKG-UHFFFAOYSA-N 0 3 395.297 2.428 20 30 GEEDHN C=CCN1CCC(NCCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000582600742 532760553 /nfs/dbraw/zinc/76/05/53/532760553.db2.gz AIFDBJVZWXCVFG-UHFFFAOYSA-N 0 3 387.343 2.463 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)s1 ZINC000583033864 532762758 /nfs/dbraw/zinc/76/27/58/532762758.db2.gz CTTUGUNIROJPKJ-CJNGLKHVSA-N 0 3 379.482 2.430 20 30 GEEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000286813361 532770608 /nfs/dbraw/zinc/77/06/08/532770608.db2.gz IJGMEFNEZORUGH-LBPRGKRZSA-N 0 3 386.315 2.283 20 30 GEEDHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCC(F)(F)[C@H](CO)C1 ZINC000329810020 532812042 /nfs/dbraw/zinc/81/20/42/532812042.db2.gz MIDPTIYFCQZUGS-AWEZNQCLSA-N 0 3 377.501 2.212 20 30 GEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCN(C)CCCOC ZINC000288033049 532815540 /nfs/dbraw/zinc/81/55/40/532815540.db2.gz DEWWBFNPHPRYMN-UHFFFAOYSA-N 0 3 387.933 2.001 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CNCCN2C)cc1OC ZINC000414959439 532835915 /nfs/dbraw/zinc/83/59/15/532835915.db2.gz FMUHMABKPFHPBA-AWEZNQCLSA-N 0 3 384.318 2.016 20 30 GEEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)cc1Br ZINC000415433225 532845258 /nfs/dbraw/zinc/84/52/58/532845258.db2.gz ABHKDIJOEPNYDH-OAHLLOKOSA-N 0 3 393.285 2.283 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@@H]21 ZINC000333150466 532865559 /nfs/dbraw/zinc/86/55/59/532865559.db2.gz KMTOKGDRBKDGPO-HIFRSBDPSA-N 0 3 398.326 2.426 20 30 GEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000290867440 532891226 /nfs/dbraw/zinc/89/12/26/532891226.db2.gz DXQPKWMEKLYOHQ-WFASDCNBSA-N 0 3 383.539 2.305 20 30 GEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)C1 ZINC000291833407 532909090 /nfs/dbraw/zinc/90/90/90/532909090.db2.gz GFCLSHLYIHKDPK-HNNXBMFYSA-N 0 3 384.299 2.037 20 30 GEEDHN C#CCN(C)CCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000294073132 532935603 /nfs/dbraw/zinc/93/56/03/532935603.db2.gz VZURLRMXZOGLID-UHFFFAOYSA-N 0 3 377.901 2.084 20 30 GEEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000735425365 598413034 /nfs/dbraw/zinc/41/30/34/598413034.db2.gz AHHURZARQUNETP-UHFFFAOYSA-N 0 3 393.398 2.240 20 30 GEEDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569048 608484078 /nfs/dbraw/zinc/48/40/78/608484078.db2.gz GBMBEPPOFACHDO-KSSFIOAISA-N 0 3 378.436 2.023 20 30 GEEDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569048 608484080 /nfs/dbraw/zinc/48/40/80/608484080.db2.gz GBMBEPPOFACHDO-KSSFIOAISA-N 0 3 378.436 2.023 20 30 GEEDHN N#CCC1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000826380980 609428825 /nfs/dbraw/zinc/42/88/25/609428825.db2.gz SOIUUBSJPPIOBP-UHFFFAOYSA-N 0 3 385.497 2.371 20 30 GEEDHN N#CCC1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000826380980 609428826 /nfs/dbraw/zinc/42/88/26/609428826.db2.gz SOIUUBSJPPIOBP-UHFFFAOYSA-N 0 3 385.497 2.371 20 30 GEEDHN C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000450077987 650059553 /nfs/dbraw/zinc/05/95/53/650059553.db2.gz VOEXMISDSRMPEP-AAEUAGOBSA-N 0 3 378.270 2.441 20 30 GEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103226 650060067 /nfs/dbraw/zinc/06/00/67/650060067.db2.gz GFGSQUVKLBDSPQ-BDJLRTHQSA-N 0 3 378.270 2.298 20 30 GEEDHN C=CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000460045780 650438756 /nfs/dbraw/zinc/43/87/56/650438756.db2.gz BZSPEBFLNQOHGC-UHFFFAOYSA-N 0 3 396.329 2.374 20 30 GEEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000517018742 650601719 /nfs/dbraw/zinc/60/17/19/650601719.db2.gz NIVSELARBQLSEZ-GFCCVEGCSA-N 0 3 386.315 2.283 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2COCCN2)cc1OCC ZINC000530181066 650717299 /nfs/dbraw/zinc/71/72/99/650717299.db2.gz JMDWZAFMXFXMBP-CQSZACIVSA-N 0 3 385.302 2.491 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000067936380 642981996 /nfs/dbraw/zinc/98/19/96/642981996.db2.gz SWHPWQDKYGNVJC-CQSZACIVSA-N 0 3 385.291 2.195 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)CCc1ccc(Br)cc1F ZINC000120375296 643601671 /nfs/dbraw/zinc/60/16/71/643601671.db2.gz LNNLAVFJXLJFTB-CYBMUJFWSA-N 0 3 385.233 2.382 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127571501 643778637 /nfs/dbraw/zinc/77/86/37/643778637.db2.gz JFVCUHREEKGNFF-IRXDYDNUSA-N 0 3 391.313 2.252 20 30 GEEDHN C[C@@H](C#N)Oc1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158320241 644142681 /nfs/dbraw/zinc/14/26/81/644142681.db2.gz WUBATGQPYJDGDY-AWEZNQCLSA-N 0 3 379.507 2.449 20 30 GEEDHN C=C(Br)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192358953 645200849 /nfs/dbraw/zinc/20/08/49/645200849.db2.gz XPRLSBWMAJXAOY-INIZCTEOSA-N 0 3 382.302 2.485 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000193420718 645271524 /nfs/dbraw/zinc/27/15/24/645271524.db2.gz FYXCCQWPSSWXDB-MRVPVSSYSA-N 0 3 379.627 2.497 20 30 GEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432394 648126101 /nfs/dbraw/zinc/12/61/01/648126101.db2.gz JYONEYSOBPUGJK-DZGCQCFKSA-N 0 3 398.326 2.426 20 30 GEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419655944 648360147 /nfs/dbraw/zinc/36/01/47/648360147.db2.gz TXEVTFFTTGPZKH-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1nc2ccc(Br)cc2[nH]1 ZINC000548488906 651078868 /nfs/dbraw/zinc/07/88/68/651078868.db2.gz PZENFWNRZIFYCR-UHFFFAOYSA-N 0 3 388.273 2.567 20 30 GEEDHN C=CCN1CCC(NC(=O)c2ncc(I)s2)CC1 ZINC000603437202 651492492 /nfs/dbraw/zinc/49/24/92/651492492.db2.gz JGOFABFNCDGZCO-UHFFFAOYSA-N 0 3 377.251 2.128 20 30 GEEDHN C=CCCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000569763874 651722702 /nfs/dbraw/zinc/72/27/02/651722702.db2.gz MBHLSTVPGDZKAA-UHFFFAOYSA-N 0 3 396.329 2.422 20 30 GEEDHN CCN(CC)CC(=O)N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000615279048 651860399 /nfs/dbraw/zinc/86/03/99/651860399.db2.gz JMZZIUUCCDMJSP-UHFFFAOYSA-N 0 3 379.302 2.311 20 30 GEEDHN C=CCOc1c(Cl)cc(CNC[C@H]2CCCN2S(C)(=O)=O)cc1OC ZINC000623471796 652239330 /nfs/dbraw/zinc/23/93/30/652239330.db2.gz UAKQUNHSJGMIFX-CQSZACIVSA-N 0 3 388.917 2.427 20 30 GEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000582492940 652452771 /nfs/dbraw/zinc/45/27/71/652452771.db2.gz VLILQUSTFWHRED-BBRMVZONSA-N 0 3 379.302 2.413 20 30 GEEDHN COCCN1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593418430 652620308 /nfs/dbraw/zinc/62/03/08/652620308.db2.gz GKOYMNHOOVITCK-UHFFFAOYSA-N 0 3 380.286 2.090 20 30 GEEDHN CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCN(C)C1 ZINC000597944005 652793742 /nfs/dbraw/zinc/79/37/42/652793742.db2.gz BPCKVOXUMUFTDJ-MRXNPFEDSA-N 0 3 391.313 2.310 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547496 653190864 /nfs/dbraw/zinc/19/08/64/653190864.db2.gz ZDFNFSZGYFBLNR-HUUCEWRRSA-N 0 3 393.285 2.082 20 30 GEEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000778179630 653434097 /nfs/dbraw/zinc/43/40/97/653434097.db2.gz XRJXKZHTNQVMBL-RDTXWAMCSA-N 0 3 383.897 2.178 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000876567338 653436054 /nfs/dbraw/zinc/43/60/54/653436054.db2.gz IWJLUYLAYUNXSA-SECBINFHSA-N 0 3 382.173 2.488 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000876672948 653442000 /nfs/dbraw/zinc/44/20/00/653442000.db2.gz YSEHQUZEJZRDSG-ZDUSSCGKSA-N 0 3 377.794 2.250 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896226 653452897 /nfs/dbraw/zinc/45/28/97/653452897.db2.gz XZQGJMSXULZIBS-RYUDHWBXSA-N 0 3 375.778 2.397 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896224 653453042 /nfs/dbraw/zinc/45/30/42/653453042.db2.gz XZQGJMSXULZIBS-NEPJUHHUSA-N 0 3 375.778 2.397 20 30 GEEDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc(C#N)cc2Br)C1 ZINC000779652140 653526303 /nfs/dbraw/zinc/52/63/03/653526303.db2.gz FYKPAAGPPBEHFW-HNNXBMFYSA-N 0 3 381.274 2.428 20 30 GEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(Br)cc1OCCCO ZINC000815118733 653652864 /nfs/dbraw/zinc/65/28/64/653652864.db2.gz KJODNWNIIHVMPJ-CYBMUJFWSA-N 0 3 383.286 2.000 20 30 GEEDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000861350918 653655596 /nfs/dbraw/zinc/65/55/96/653655596.db2.gz AXXWGKHRWQMNAA-SJKOYZFVSA-N 0 3 397.269 2.352 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000817045060 653699097 /nfs/dbraw/zinc/69/90/97/653699097.db2.gz SBAOVFSPWLHRIV-MRXNPFEDSA-N 0 3 383.261 2.083 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000817045059 653699125 /nfs/dbraw/zinc/69/91/25/653699125.db2.gz SBAOVFSPWLHRIV-INIZCTEOSA-N 0 3 383.261 2.083 20 30 GEEDHN C#CCN(C)CCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000818584247 653734099 /nfs/dbraw/zinc/73/40/99/653734099.db2.gz JNFIAZNTBMAFOZ-UHFFFAOYSA-N 0 3 395.301 2.032 20 30 GEEDHN C[C@@H]1CN(c2ncc(C#N)cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000882144056 653765658 /nfs/dbraw/zinc/76/56/58/653765658.db2.gz ATUBMLJBHDUIFG-CZUORRHYSA-N 0 3 378.318 2.178 20 30 GEEDHN C#CCN1C(=O)C[C@@H](N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000821771622 653806246 /nfs/dbraw/zinc/80/62/46/653806246.db2.gz IDSGSFYGYIHDTG-GOEBONIOSA-N 0 3 375.266 2.074 20 30 GEEDHN Cn1nc(Br)nc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000895149742 653820328 /nfs/dbraw/zinc/82/03/28/653820328.db2.gz QDZQHQUZOYJTBC-UHFFFAOYSA-N 0 3 389.301 2.203 20 30 GEEDHN CS[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H]1N(C)C ZINC000883099200 653826614 /nfs/dbraw/zinc/82/66/14/653826614.db2.gz MOYPVAPHTFFWTH-NEPJUHHUSA-N 0 3 384.303 2.225 20 30 GEEDHN CN(CCOc1ccc(Br)cc1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884054800 653861612 /nfs/dbraw/zinc/86/16/12/653861612.db2.gz RNJHDRLHFXQUML-FVRSWCFKSA-N 0 3 392.297 2.426 20 30 GEEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156187 653866359 /nfs/dbraw/zinc/86/63/59/653866359.db2.gz VNRMKQQFZXLORB-DWBBHFSCSA-N 0 3 392.297 2.472 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1ccc(I)cc1NC ZINC000848143219 653961232 /nfs/dbraw/zinc/96/12/32/653961232.db2.gz SBJJCYFJLKRWKB-UHFFFAOYSA-N 0 3 385.249 2.018 20 30 GEEDHN C#CCN(C(=O)/C=C/c1ccc(I)o1)C1CCN(C)CC1 ZINC000886572786 653992265 /nfs/dbraw/zinc/99/22/65/653992265.db2.gz ZWXNOEYMVOMOFZ-FNORWQNLSA-N 0 3 398.244 2.453 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000828033829 654018581 /nfs/dbraw/zinc/01/85/81/654018581.db2.gz RXAGHYIGPQWILS-AWEZNQCLSA-N 0 3 377.282 2.214 20 30 GEEDHN CN(C)CCn1nccc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000900111782 654050540 /nfs/dbraw/zinc/05/05/40/654050540.db2.gz HZIHIPWOEABYBQ-AWEZNQCLSA-N 0 3 376.258 2.202 20 30 GEEDHN O=C(N1C[C@@H]2CCN(CCOCC(F)(F)C(F)F)C[C@@H]2C1)C(F)(F)F ZINC000831576908 654192248 /nfs/dbraw/zinc/19/22/48/654192248.db2.gz LNGPVLHKKVNHQV-VHSXEESVSA-N 0 3 380.304 2.246 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000854094508 654340307 /nfs/dbraw/zinc/34/03/07/654340307.db2.gz UCILIACHTHLVMR-KRWDZBQOSA-N 0 3 394.313 2.487 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000835056382 654359756 /nfs/dbraw/zinc/35/97/56/654359756.db2.gz FHFFXWAKLSQHFD-ZNMIVQPWSA-N 0 3 379.254 2.414 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905557109 654365796 /nfs/dbraw/zinc/36/57/96/654365796.db2.gz SOBKUQPDZCNWHO-DZGCQCFKSA-N 0 3 376.400 2.422 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000922632039 654404897 /nfs/dbraw/zinc/40/48/97/654404897.db2.gz YFZJJINJEOTWHW-CQSZACIVSA-N 0 3 380.290 2.041 20 30 GEEDHN C[C@]1(C[C@H]2CCCN2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417947 654474039 /nfs/dbraw/zinc/47/40/39/654474039.db2.gz XRHRJEBFCWDYOB-CXAGYDPISA-N 0 3 391.269 2.273 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928459203 654648254 /nfs/dbraw/zinc/64/82/54/654648254.db2.gz VICYMPSAIPSNJW-FZMZJTMJSA-N 0 3 396.285 2.307 20 30 GEEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CCC1 ZINC000933300329 654807145 /nfs/dbraw/zinc/80/71/45/654807145.db2.gz YKAPRHPSAYNAOU-UHFFFAOYSA-N 0 3 383.901 2.064 20 30 GEEDHN C[C@](CO)(Cc1ccc(Br)cc1)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000933437564 654813206 /nfs/dbraw/zinc/81/32/06/654813206.db2.gz PFUNFMDVFDEBPR-MSOLQXFVSA-N 0 3 394.313 2.141 20 30 GEEDHN Cc1ccc(CC#N)c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164893818 721439081 /nfs/dbraw/zinc/43/90/81/721439081.db2.gz KSZIIAHQFHDRMC-IFMALSPDSA-N 0 3 383.540 2.222 20 30 GEEDHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164985869 722100050 /nfs/dbraw/zinc/10/00/50/722100050.db2.gz XHOXARFWCTZOIW-FXAWDEMLSA-N 0 3 379.464 2.084 20 30 GEEDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155169891 531661186 /nfs/dbraw/zinc/66/11/86/531661186.db2.gz XDIQBUHTWFPYJJ-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN C=CCN1CCC(NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000171718488 531914083 /nfs/dbraw/zinc/91/40/83/531914083.db2.gz YMOWDAYOICWYEI-UHFFFAOYSA-N 0 3 395.301 2.337 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000173271303 532000854 /nfs/dbraw/zinc/00/08/54/532000854.db2.gz GUUDZXRCSSENKX-UHFFFAOYSA-N 0 3 384.249 2.293 20 30 GEEDHN COC(=O)C1CCN(CCCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603284959 532087673 /nfs/dbraw/zinc/08/76/73/532087673.db2.gz XCOWXWZIISOQJI-UHFFFAOYSA-N 0 3 381.274 2.403 20 30 GEEDHN C=CCN1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000178089901 532192283 /nfs/dbraw/zinc/19/22/83/532192283.db2.gz GHCOHJFWTRSJLA-INIZCTEOSA-N 0 3 382.302 2.432 20 30 GEEDHN Cc1c(NC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)ccc(Br)c1C#N ZINC000425733063 532391136 /nfs/dbraw/zinc/39/11/36/532391136.db2.gz AEVSRFTXOGAPCD-PWSUYJOCSA-N 0 3 393.285 2.167 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282586231 532480809 /nfs/dbraw/zinc/48/08/09/532480809.db2.gz GLWLETPZHYXQGE-OAHLLOKOSA-N 0 3 381.245 2.483 20 30 GEEDHN CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CCN(CC)C1 ZINC000595129993 532545117 /nfs/dbraw/zinc/54/51/17/532545117.db2.gz HRJQHBRMIGSYOP-CQSZACIVSA-N 0 3 393.285 2.202 20 30 GEEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H]3CC[C@@H](C1)[S@]3=O)CCC2 ZINC000528789551 532582924 /nfs/dbraw/zinc/58/29/24/532582924.db2.gz UCYAXZJCLXGPTF-OCDDVZBJSA-N 0 3 377.535 2.422 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](C)N(C)C ZINC000298506398 532654715 /nfs/dbraw/zinc/65/47/15/532654715.db2.gz MZGWCTVEGSHJDA-NSHDSACASA-N 0 3 384.274 2.165 20 30 GEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000500679356 532732635 /nfs/dbraw/zinc/73/26/35/532732635.db2.gz QSBPSCMWDJAZKS-BXUZGUMPSA-N 0 3 393.285 2.200 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCN(C)CC ZINC000411244752 532751045 /nfs/dbraw/zinc/75/10/45/532751045.db2.gz NOVCJKZPPDVUOL-UHFFFAOYSA-N 0 3 384.274 2.020 20 30 GEEDHN CCN(CC)CC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302066972 532765661 /nfs/dbraw/zinc/76/56/61/532765661.db2.gz AYOJQARYDIUBFO-UHFFFAOYSA-N 0 3 379.302 2.311 20 30 GEEDHN O=C(NCC1CCN(Cc2cccs2)CC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329787379 532811217 /nfs/dbraw/zinc/81/12/17/532811217.db2.gz RBSKIXBHOGQHIL-OAHLLOKOSA-N 0 3 385.555 2.041 20 30 GEEDHN CN1CC=C(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000329213694 532804191 /nfs/dbraw/zinc/80/41/91/532804191.db2.gz JWEJRWWJVQWBFJ-UHFFFAOYSA-N 0 3 383.539 2.489 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329284543 532804809 /nfs/dbraw/zinc/80/48/09/532804809.db2.gz GCDSSHZINDTSPZ-CYBMUJFWSA-N 0 3 395.301 2.436 20 30 GEEDHN CN(CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000331199434 532835759 /nfs/dbraw/zinc/83/57/59/532835759.db2.gz PFPCXWXALNZWHM-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000009917540 209162504 /nfs/dbraw/zinc/16/25/04/209162504.db2.gz NTQVDQICHUKCKP-UHFFFAOYSA-N 0 3 387.505 2.143 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000416366029 532872072 /nfs/dbraw/zinc/87/20/72/532872072.db2.gz BPPGTFMGTISFBT-KGLIPLIRSA-N 0 3 384.299 2.226 20 30 GEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292064875 532912398 /nfs/dbraw/zinc/91/23/98/532912398.db2.gz PDFJQCISLBWJBB-HNNXBMFYSA-N 0 3 384.299 2.037 20 30 GEEDHN N#Cc1ccccc1CSCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737727197 599483314 /nfs/dbraw/zinc/48/33/14/599483314.db2.gz FZBYQWIMKPCOAC-UHFFFAOYSA-N 0 3 390.476 2.409 20 30 GEEDHN N#Cc1ccccc1CSCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737727197 599483317 /nfs/dbraw/zinc/48/33/17/599483317.db2.gz FZBYQWIMKPCOAC-UHFFFAOYSA-N 0 3 390.476 2.409 20 30 GEEDHN N#CCC[C@@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381702 608555812 /nfs/dbraw/zinc/55/58/12/608555812.db2.gz VPUDVPDTSKWIOX-PKOBYXMFSA-N 0 3 378.436 2.241 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000450896251 650074887 /nfs/dbraw/zinc/07/48/87/650074887.db2.gz ZTSDHNBMWBYRPJ-OAHLLOKOSA-N 0 3 377.286 2.111 20 30 GEEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000517018743 650601661 /nfs/dbraw/zinc/60/16/61/650601661.db2.gz NIVSELARBQLSEZ-LBPRGKRZSA-N 0 3 386.315 2.283 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000124224922 643683455 /nfs/dbraw/zinc/68/34/55/643683455.db2.gz WPHAGKQGIXTXDC-WFASDCNBSA-N 0 3 397.269 2.468 20 30 GEEDHN CCN(CC)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127849816 643787525 /nfs/dbraw/zinc/78/75/25/643787525.db2.gz KZVPGGWZCBKLBQ-KRWDZBQOSA-N 0 3 393.329 2.500 20 30 GEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000130884606 643854375 /nfs/dbraw/zinc/85/43/75/643854375.db2.gz QTMRKTPFKWPLRU-GJZGRUSLSA-N 0 3 394.269 2.250 20 30 GEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCc2nc(C)nn2C1 ZINC000237835980 645444680 /nfs/dbraw/zinc/44/46/80/645444680.db2.gz QPPKQBYTCPCACI-HNNXBMFYSA-N 0 3 375.270 2.466 20 30 GEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(C)c1Br ZINC000273218563 646310610 /nfs/dbraw/zinc/31/06/10/646310610.db2.gz MPBGSKJDVSFYMP-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716319 646542605 /nfs/dbraw/zinc/54/26/05/646542605.db2.gz IGWBFDKHZCPLOG-XJKSGUPXSA-N 0 3 398.326 2.426 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278937456 646564338 /nfs/dbraw/zinc/56/43/38/646564338.db2.gz XBWOXHGGVGHXQF-QGZVFWFLSA-N 0 3 390.325 2.489 20 30 GEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420030639 648397534 /nfs/dbraw/zinc/39/75/34/648397534.db2.gz GOYHGDIZERTVLD-YPMHNXCESA-N 0 3 385.917 2.145 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000424083772 648611476 /nfs/dbraw/zinc/61/14/76/648611476.db2.gz NWOUUAPBJGOGCB-HNNXBMFYSA-N 0 3 383.279 2.299 20 30 GEEDHN COC(=O)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Br)cc1 ZINC000424088466 648611903 /nfs/dbraw/zinc/61/19/03/648611903.db2.gz JGOZJPHUBZVRCP-KBPBESRZSA-N 0 3 382.258 2.191 20 30 GEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093947 648612531 /nfs/dbraw/zinc/61/25/31/648612531.db2.gz SNZSKFVEFKHPFV-GXFFZTMASA-N 0 3 382.258 2.419 20 30 GEEDHN N#Cc1cc(Br)ccc1Cn1cc([C@H](N)C2CCOCC2)nn1 ZINC000603241748 651473645 /nfs/dbraw/zinc/47/36/45/651473645.db2.gz NFCBTISOUDYJOG-MRXNPFEDSA-N 0 3 376.258 2.387 20 30 GEEDHN CCN1CCN(CCC(=O)N[C@@H](C#N)c2ccccc2Br)CC1 ZINC000610429138 651660962 /nfs/dbraw/zinc/66/09/62/651660962.db2.gz WHVWKSBXDQTVGZ-INIZCTEOSA-N 0 3 379.302 2.158 20 30 GEEDHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733311586 651699233 /nfs/dbraw/zinc/69/92/33/651699233.db2.gz WAYMXRDUAVCQIR-JHJVBQTASA-N 0 3 379.507 2.226 20 30 GEEDHN N#Cc1cc(F)c(N2CCN(C(=O)CN3CCCC3)CC2)cc1Br ZINC000569867221 651730224 /nfs/dbraw/zinc/73/02/24/651730224.db2.gz GESWMJJXHFPRGV-UHFFFAOYSA-N 0 3 395.276 2.204 20 30 GEEDHN CS(=O)(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000583782172 652497000 /nfs/dbraw/zinc/49/70/00/652497000.db2.gz YEMJUTUKQMQIIW-CQSZACIVSA-N 0 3 375.416 2.481 20 30 GEEDHN N#Cc1ccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000590763051 652581353 /nfs/dbraw/zinc/58/13/53/652581353.db2.gz RHFYJILUSNLAFQ-INIZCTEOSA-N 0 3 391.313 2.107 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc(I)s1 ZINC000594436155 652649165 /nfs/dbraw/zinc/64/91/65/652649165.db2.gz IUUVDEUVFYZCGM-LLVKDONJSA-N 0 3 391.278 2.423 20 30 GEEDHN Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H](N)CCCCC#N ZINC000594436452 652649222 /nfs/dbraw/zinc/64/92/22/652649222.db2.gz JHBFDKVZGNTZAO-CYBMUJFWSA-N 0 3 381.274 2.224 20 30 GEEDHN N#Cc1cc(F)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1Br ZINC000594566127 652665533 /nfs/dbraw/zinc/66/55/33/652665533.db2.gz DHSNVUVQFPFGCV-OAHLLOKOSA-N 0 3 395.276 2.378 20 30 GEEDHN C=C[C@@](C)(O)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000668911145 652675475 /nfs/dbraw/zinc/67/54/75/652675475.db2.gz PJCHPDFHUYRPQH-GOSISDBHSA-N 0 3 397.313 2.346 20 30 GEEDHN C=C(Br)CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805196486 653104017 /nfs/dbraw/zinc/10/40/17/653104017.db2.gz XNSNNBNJCHDWMY-SFHVURJKSA-N 0 3 394.313 2.182 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000836425447 653351334 /nfs/dbraw/zinc/35/13/34/653351334.db2.gz BVTZGJAWDPWTSL-INIZCTEOSA-N 0 3 393.329 2.282 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000876966192 653456898 /nfs/dbraw/zinc/45/68/98/653456898.db2.gz QVZVFCSHWUFUAO-NEPJUHHUSA-N 0 3 375.650 2.249 20 30 GEEDHN C[C@H](CCNS(=O)(=O)c1ccccc1)NCc1cc(C#N)cnc1Cl ZINC000877504986 653603693 /nfs/dbraw/zinc/60/36/93/653603693.db2.gz VZHPGZKVXXPWEJ-CYBMUJFWSA-N 0 3 378.885 2.453 20 30 GEEDHN C#CCNC(=O)CCN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000815106210 653652439 /nfs/dbraw/zinc/65/24/39/653652439.db2.gz QEVAVGOHHWHKCE-CYBMUJFWSA-N 0 3 393.203 2.230 20 30 GEEDHN C#CCN(C)CCCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000818592831 653734249 /nfs/dbraw/zinc/73/42/49/653734249.db2.gz BCAWMGWCBCFPEI-KRWDZBQOSA-N 0 3 394.313 2.088 20 30 GEEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000820612237 653778259 /nfs/dbraw/zinc/77/82/59/653778259.db2.gz SNMYIGIVNNBVNK-IRXDYDNUSA-N 0 3 394.313 2.269 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(I)c1)C2 ZINC000884047496 653861254 /nfs/dbraw/zinc/86/12/54/653861254.db2.gz XCQLFMBWZSBPFL-VTWZXRTESA-N 0 3 381.217 2.369 20 30 GEEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)Oc1ccccc1Br ZINC000884155543 653866429 /nfs/dbraw/zinc/86/64/29/653866429.db2.gz FFOJYLFNRKMHML-FMHYQEOESA-N 0 3 392.297 2.472 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCOc3cccc(Br)c3C1)C2 ZINC000884391143 653875087 /nfs/dbraw/zinc/87/50/87/653875087.db2.gz RQZVRXNPLYLFJW-YNAXMUEKSA-N 0 3 390.281 2.309 20 30 GEEDHN Cc1c(NC(=O)C(=O)NCCN2CCC[C@H]2C)ccc(Br)c1C#N ZINC000824519277 653899917 /nfs/dbraw/zinc/89/99/17/653899917.db2.gz ZLXZAZDSMMNCJY-LLVKDONJSA-N 0 3 393.285 2.168 20 30 GEEDHN C#CCN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)C1CCN(C)CC1 ZINC000886577347 653992728 /nfs/dbraw/zinc/99/27/28/653992728.db2.gz FRGOFQXGLWEEAX-KRWDZBQOSA-N 0 3 377.282 2.309 20 30 GEEDHN C#CCN(C(=O)c1ccc(I)cc1)C1CCN(C)CC1 ZINC000886589588 653992881 /nfs/dbraw/zinc/99/28/81/653992881.db2.gz ZOGBDYRNRHZLHV-UHFFFAOYSA-N 0 3 382.245 2.461 20 30 GEEDHN CN(C)CCn1nccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000900464472 654065526 /nfs/dbraw/zinc/06/55/26/654065526.db2.gz NMGXCWJSLBQHJU-AWEZNQCLSA-N 0 3 376.258 2.202 20 30 GEEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C23CCN(CC2)C3)nc1C ZINC000900632106 654073681 /nfs/dbraw/zinc/07/36/81/654073681.db2.gz GFELDCQXRFZKLN-UHFFFAOYSA-N 0 3 376.511 2.219 20 30 GEEDHN CCn1c(SCC(=O)C(C#N)C(=O)NC)nnc1-c1ccc(Cl)cc1 ZINC000917005185 654111852 /nfs/dbraw/zinc/11/18/52/654111852.db2.gz NBFXWRBTLOFXEC-GFCCVEGCSA-N 0 3 377.857 2.165 20 30 GEEDHN C[C@H](C#N)OCCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930238 654212548 /nfs/dbraw/zinc/21/25/48/654212548.db2.gz KBKWPWIRUJFHQC-OLZOCXBDSA-N 0 3 381.274 2.423 20 30 GEEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000802797062 654242063 /nfs/dbraw/zinc/24/20/63/654242063.db2.gz NWDVNQQQFGDLBN-CYBMUJFWSA-N 0 3 378.841 2.042 20 30 GEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907199385 654519825 /nfs/dbraw/zinc/51/98/25/654519825.db2.gz XHXFCXAVWDKVHH-OAHLLOKOSA-N 0 3 384.299 2.037 20 30 GEEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)C2)s1 ZINC000907344187 654533697 /nfs/dbraw/zinc/53/36/97/654533697.db2.gz CVUSJUSIKSHCJW-GOEBONIOSA-N 0 3 384.571 2.147 20 30 GEEDHN C#CCN(C)CCCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000925305596 654540705 /nfs/dbraw/zinc/54/07/05/654540705.db2.gz CSWGGZJUTLXSEF-UHFFFAOYSA-N 0 3 378.270 2.168 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)Cc1cc(C#N)cs1 ZINC000907565606 654558621 /nfs/dbraw/zinc/55/86/21/654558621.db2.gz OWIIXUJWCYOPFA-LLVKDONJSA-N 0 3 384.401 2.265 20 30 GEEDHN C#CC1(O)CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000931142960 654730558 /nfs/dbraw/zinc/73/05/58/654730558.db2.gz BYXJMBAKARXAHZ-ZDUSSCGKSA-N 0 3 388.689 2.302 20 30 GEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932548093 654781048 /nfs/dbraw/zinc/78/10/48/654781048.db2.gz YYEDQIYAQHGKJX-FZMZJTMJSA-N 0 3 396.232 2.331 20 30 GEEDHN CN1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1I ZINC000932554828 654781860 /nfs/dbraw/zinc/78/18/60/654781860.db2.gz ZLVSHPYWYGINTD-NSHDSACASA-N 0 3 384.221 2.379 20 30 GEEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164748962 720802082 /nfs/dbraw/zinc/80/20/82/720802082.db2.gz SDJMFALRUMDAKR-RBUKOAKNSA-N 0 3 393.567 2.442 20 30 GEEDHN Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1CC#N ZINC001164889503 721438598 /nfs/dbraw/zinc/43/85/98/721438598.db2.gz BEPDDTKVIOIEAX-RBBKRZOGSA-N 0 3 383.540 2.222 20 30 GEEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc12 ZINC001164902784 721546540 /nfs/dbraw/zinc/54/65/40/721546540.db2.gz BFKHQJFVMVOQMJ-DOTOQJQBSA-N 0 3 378.411 2.311 20 30 GEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cc(C#N)c(Br)cn1 ZINC000603287155 532088538 /nfs/dbraw/zinc/08/85/38/532088538.db2.gz XRYIWAQIVUOEMC-AWEZNQCLSA-N 0 3 380.290 2.070 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182742203 532317161 /nfs/dbraw/zinc/31/71/61/532317161.db2.gz KJTJEARLCMJRTO-UHFFFAOYSA-N 0 3 395.301 2.248 20 30 GEEDHN C[C@@H]1CCN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592767972 532462232 /nfs/dbraw/zinc/46/22/32/532462232.db2.gz CHVQRKDAIVMKHV-CYBMUJFWSA-N 0 3 391.313 2.215 20 30 GEEDHN C[C@@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1C ZINC000592767275 532462449 /nfs/dbraw/zinc/46/24/49/532462449.db2.gz SGXSAXXQADWEDG-WBMJQRKESA-N 0 3 391.313 2.356 20 30 GEEDHN C[C@@H]1CN(CCCNC(=O)Cc2ccc(Br)cc2C#N)CCCO1 ZINC000593656334 532492650 /nfs/dbraw/zinc/49/26/50/532492650.db2.gz DPJHCLXMWMYTGL-CQSZACIVSA-N 0 3 394.313 2.480 20 30 GEEDHN Cn1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc(Br)c1=O ZINC000471055194 532540765 /nfs/dbraw/zinc/54/07/65/532540765.db2.gz CAUOKECWVNYFAS-CYBMUJFWSA-N 0 3 385.221 2.340 20 30 GEEDHN C=CCN1CCC(Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000472362094 532574163 /nfs/dbraw/zinc/57/41/63/532574163.db2.gz UWWRREDHTXVYSW-UHFFFAOYSA-N 0 3 392.294 2.298 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2cccc(Br)c2)nc1 ZINC000565828620 532580255 /nfs/dbraw/zinc/58/02/55/532580255.db2.gz CDDRNGMRPMILCG-UHFFFAOYSA-N 0 3 394.294 2.322 20 30 GEEDHN CCN1CC[C@H]2OCCN(C(=O)c3cccc(C#N)c3Br)[C@H]2C1 ZINC000566602588 532619471 /nfs/dbraw/zinc/61/94/71/532619471.db2.gz UMSWMIUJHNAPTN-LSDHHAIUSA-N 0 3 378.270 2.256 20 30 GEEDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000500679357 532732757 /nfs/dbraw/zinc/73/27/57/532732757.db2.gz QSBPSCMWDJAZKS-FZMZJTMJSA-N 0 3 393.285 2.200 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000459663947 532797362 /nfs/dbraw/zinc/79/73/62/532797362.db2.gz ZMVIYGCDIBTBMT-INIZCTEOSA-N 0 3 384.274 2.202 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000459663949 532797638 /nfs/dbraw/zinc/79/76/38/532797638.db2.gz ZMVIYGCDIBTBMT-MRXNPFEDSA-N 0 3 384.274 2.202 20 30 GEEDHN C[NH+](C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330677142 532824981 /nfs/dbraw/zinc/82/49/81/532824981.db2.gz UXAONPWNDBIAOL-VXGBXAGGSA-N 0 3 386.315 2.472 20 30 GEEDHN C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)CN1CCCC1 ZINC000331197767 532835653 /nfs/dbraw/zinc/83/56/53/532835653.db2.gz OETDRXZOJJEXDZ-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331176660 532835249 /nfs/dbraw/zinc/83/52/49/532835249.db2.gz FPKNXSIHHKMGBD-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000289093807 532847284 /nfs/dbraw/zinc/84/72/84/532847284.db2.gz IOEMESBAHNYNRY-LLVKDONJSA-N 0 3 390.278 2.175 20 30 GEEDHN [NH3+]CC[C@H]([N-]C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000415839151 532859853 /nfs/dbraw/zinc/85/98/53/532859853.db2.gz OICFFYKRYZYBIM-VIFPVBQESA-N 0 3 375.244 2.179 20 30 GEEDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419726727 532882798 /nfs/dbraw/zinc/88/27/98/532882798.db2.gz HUDVFWHWACKVNZ-ZDUSSCGKSA-N 0 3 393.285 2.200 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000364187232 532904350 /nfs/dbraw/zinc/90/43/50/532904350.db2.gz ZZOGNDVJBFLMQV-RDJZCZTQSA-N 0 3 379.844 2.466 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000364187233 532904489 /nfs/dbraw/zinc/90/44/89/532904489.db2.gz ZZOGNDVJBFLMQV-WBVHZDCISA-N 0 3 379.844 2.466 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000293412677 532926603 /nfs/dbraw/zinc/92/66/03/532926603.db2.gz PILHVDSLWOFKJW-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN CN1CC[C@@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@H]1c1cccs1 ZINC000367732457 532926687 /nfs/dbraw/zinc/92/66/87/532926687.db2.gz ZNHZVXNNGVACAF-GUYCJALGSA-N 0 3 376.507 2.372 20 30 GEEDHN CN1CC[C@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@@H]1c1cccs1 ZINC000367732455 532926861 /nfs/dbraw/zinc/92/68/61/532926861.db2.gz ZNHZVXNNGVACAF-CXAGYDPISA-N 0 3 376.507 2.372 20 30 GEEDHN C=CCNC(=O)CNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000368700890 532933831 /nfs/dbraw/zinc/93/38/31/532933831.db2.gz WXBXHSBTAKVYQM-UHFFFAOYSA-N 0 3 394.313 2.254 20 30 GEEDHN CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000819772680 607254223 /nfs/dbraw/zinc/25/42/23/607254223.db2.gz JFLJGRDOGHXYEX-UHFFFAOYSA-N 0 3 379.468 2.321 20 30 GEEDHN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821585934 606511425 /nfs/dbraw/zinc/51/14/25/606511425.db2.gz BGPXDZBZUPTCSH-UHFFFAOYSA-N 0 3 381.465 2.004 20 30 GEEDHN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821585934 606511427 /nfs/dbraw/zinc/51/14/27/606511427.db2.gz BGPXDZBZUPTCSH-UHFFFAOYSA-N 0 3 381.465 2.004 20 30 GEEDHN CCN1CCN(CCCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448693996 650019409 /nfs/dbraw/zinc/01/94/09/650019409.db2.gz INZJTBAZYCPOSV-UHFFFAOYSA-N 0 3 379.302 2.078 20 30 GEEDHN C[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CN1C1CC1 ZINC000450074296 650059628 /nfs/dbraw/zinc/05/96/28/650059628.db2.gz KXBKXQMTEBBTAP-NWDGAFQWSA-N 0 3 378.270 2.441 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000067936379 642981801 /nfs/dbraw/zinc/98/18/01/642981801.db2.gz SWHPWQDKYGNVJC-AWEZNQCLSA-N 0 3 385.291 2.195 20 30 GEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000129676427 643826192 /nfs/dbraw/zinc/82/61/92/643826192.db2.gz BOBDQUXCRBKFFZ-KOLCDFICSA-N 0 3 383.235 2.431 20 30 GEEDHN C#CCN1CCC(C(=O)NCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000156322015 644088702 /nfs/dbraw/zinc/08/87/02/644088702.db2.gz BFAYUFXHLXOVPX-UHFFFAOYSA-N 0 3 392.297 2.157 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173938641 644364480 /nfs/dbraw/zinc/36/44/80/644364480.db2.gz DDZHDAWSPNFIJZ-BXUZGUMPSA-N 0 3 383.242 2.078 20 30 GEEDHN N#CC(C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000193481839 645277471 /nfs/dbraw/zinc/27/74/71/645277471.db2.gz FSLIVBHKSUNKQQ-GFCCVEGCSA-N 0 3 382.163 2.446 20 30 GEEDHN CN(CCCN1CCCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000280913931 646732880 /nfs/dbraw/zinc/73/28/80/646732880.db2.gz AFXWWFGISXIEAK-UHFFFAOYSA-N 0 3 386.315 2.427 20 30 GEEDHN C=CCN1CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418854560 648318188 /nfs/dbraw/zinc/31/81/88/648318188.db2.gz BPMFHIKAQZOXBB-UHFFFAOYSA-N 0 3 388.209 2.079 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000424084245 648611407 /nfs/dbraw/zinc/61/14/07/648611407.db2.gz NWOUUAPBJGOGCB-OAHLLOKOSA-N 0 3 383.279 2.299 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000424088306 648611832 /nfs/dbraw/zinc/61/18/32/648611832.db2.gz GTMDYJIIENQERF-HNNXBMFYSA-N 0 3 383.279 2.299 20 30 GEEDHN CC(C)N1CCN([C@@H]2CCN(c3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603309269 651479705 /nfs/dbraw/zinc/47/97/05/651479705.db2.gz CVZHMXKDZCEJSE-OAHLLOKOSA-N 0 3 378.318 2.320 20 30 GEEDHN CC#CC[C@H](CO)NCc1cc(I)c(OC)c(OC)c1 ZINC000603432426 651491316 /nfs/dbraw/zinc/49/13/16/651491316.db2.gz MQJVGPRYGRXMJP-GFCCVEGCSA-N 0 3 389.233 2.172 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1N1CCCC1 ZINC000570276332 651757080 /nfs/dbraw/zinc/75/70/80/651757080.db2.gz HCIPABOJPVRRCL-ROUUACIJSA-N 0 3 379.551 2.094 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577497034 652193262 /nfs/dbraw/zinc/19/32/62/652193262.db2.gz VVYDNQPYQGTEKY-CYBMUJFWSA-N 0 3 381.274 2.245 20 30 GEEDHN N#Cc1cc(Br)ccc1CN1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000582044125 652432890 /nfs/dbraw/zinc/43/28/90/652432890.db2.gz KUIWWSCIBSWUPE-KRWDZBQOSA-N 0 3 391.313 2.107 20 30 GEEDHN N#Cc1cc(Br)ccc1CC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000593531427 652624516 /nfs/dbraw/zinc/62/45/16/652624516.db2.gz SCMXIXDQVWZANX-KRWDZBQOSA-N 0 3 392.297 2.233 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000636676124 652816127 /nfs/dbraw/zinc/81/61/27/652816127.db2.gz DPUQRAWBQGZVKW-UHFFFAOYSA-N 0 3 375.416 2.150 20 30 GEEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000598727324 652831717 /nfs/dbraw/zinc/83/17/17/652831717.db2.gz GNBBGIOMRROGAS-ZDUSSCGKSA-N 0 3 378.416 2.499 20 30 GEEDHN C=C(Br)CNC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000808924845 653237394 /nfs/dbraw/zinc/23/73/94/653237394.db2.gz WGDSNFJAFKQDKU-INIZCTEOSA-N 0 3 396.329 2.284 20 30 GEEDHN CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CCC1(C)C ZINC000874098805 653262753 /nfs/dbraw/zinc/26/27/53/653262753.db2.gz PFHAKAKRLQHHDX-UHFFFAOYSA-N 0 3 393.285 2.202 20 30 GEEDHN C#C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000836282353 653342746 /nfs/dbraw/zinc/34/27/46/653342746.db2.gz LAGYOPGPGKDICX-ZACQAIPSSA-N 0 3 392.297 2.286 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000876625503 653438682 /nfs/dbraw/zinc/43/86/82/653438682.db2.gz WVULNWLYEHJQDQ-LLVKDONJSA-N 0 3 375.650 2.306 20 30 GEEDHN C=C(Br)CNC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000779054301 653465985 /nfs/dbraw/zinc/46/59/85/653465985.db2.gz NVLQINJTSDEODJ-UHFFFAOYSA-N 0 3 389.315 2.347 20 30 GEEDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc(C#N)cc2Br)C1 ZINC000779652145 653525358 /nfs/dbraw/zinc/52/53/58/653525358.db2.gz FYKPAAGPPBEHFW-OAHLLOKOSA-N 0 3 381.274 2.428 20 30 GEEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000840785501 653693900 /nfs/dbraw/zinc/69/39/00/653693900.db2.gz HEKNNCZNNLDURQ-ZDUSSCGKSA-N 0 3 387.527 2.003 20 30 GEEDHN C#CCC1(O)CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000880483778 653706688 /nfs/dbraw/zinc/70/66/88/653706688.db2.gz KMAPKKBMUSIILE-OAHLLOKOSA-N 0 3 386.261 2.178 20 30 GEEDHN O=C1[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCN1[O-] ZINC000895163636 653821111 /nfs/dbraw/zinc/82/11/11/653821111.db2.gz WVPWEZFCKLGHAF-INIZCTEOSA-N 0 3 382.302 2.383 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCOc3ccc(Br)cc3C1)C2 ZINC000884334688 653872770 /nfs/dbraw/zinc/87/27/70/653872770.db2.gz YOJVABIHQFKCLX-TXKKKEFDSA-N 0 3 390.281 2.309 20 30 GEEDHN C#CCN(C(=O)Cc1cccc(I)c1)C1CCN(C)CC1 ZINC000886580066 653992620 /nfs/dbraw/zinc/99/26/20/653992620.db2.gz UKBDLFHYWNQURK-UHFFFAOYSA-N 0 3 396.272 2.390 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900605324 654072489 /nfs/dbraw/zinc/07/24/89/654072489.db2.gz JBIGNYXDGAFBFW-UHFFFAOYSA-N 0 3 378.274 2.262 20 30 GEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cn2cc(Br)cn2)c1 ZINC000916893030 654110435 /nfs/dbraw/zinc/11/04/35/654110435.db2.gz QLDMBKBCXDTOBL-CYBMUJFWSA-N 0 3 377.198 2.002 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000916892492 654110615 /nfs/dbraw/zinc/11/06/15/654110615.db2.gz MIBBUPDJWBMMNT-AWEZNQCLSA-N 0 3 377.853 2.477 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000917097853 654113634 /nfs/dbraw/zinc/11/36/34/654113634.db2.gz LDOQSQROYPPRHI-UHFFFAOYSA-N 0 3 396.333 2.474 20 30 GEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917425376 654124057 /nfs/dbraw/zinc/12/40/57/654124057.db2.gz ACQNYYIOEGDQOW-LBPRGKRZSA-N 0 3 391.225 2.392 20 30 GEEDHN C#CCCN(CC(F)(F)F)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000831120255 654165473 /nfs/dbraw/zinc/16/54/73/654165473.db2.gz BYNRGASXZMRWEM-VIFPVBQESA-N 0 3 383.310 2.088 20 30 GEEDHN N#Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCCC2)cc1Br ZINC000835057692 654360135 /nfs/dbraw/zinc/36/01/35/654360135.db2.gz FFRLELLNCKDZMS-ZDUSSCGKSA-N 0 3 376.210 2.031 20 30 GEEDHN C[C@]1(NC(=O)COc2ccc(C#N)c(Br)c2)CN2CCC1CC2 ZINC000892766178 654363368 /nfs/dbraw/zinc/36/33/68/654363368.db2.gz LCFXQBBLTTYHJC-KRWDZBQOSA-N 0 3 378.270 2.300 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905554016 654365528 /nfs/dbraw/zinc/36/55/28/654365528.db2.gz CYOLKKXKBOAWOK-HIFRSBDPSA-N 0 3 376.400 2.422 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000835367150 654384014 /nfs/dbraw/zinc/38/40/14/654384014.db2.gz SKJBBQILWDRJFV-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN C#CCN1CCC(C(=O)NCCc2ccc(I)cc2)CC1 ZINC000856152836 654465859 /nfs/dbraw/zinc/46/58/59/654465859.db2.gz DXURTTKGMVJDOS-UHFFFAOYSA-N 0 3 396.272 2.295 20 30 GEEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)C2)s1 ZINC000907344225 654533712 /nfs/dbraw/zinc/53/37/12/654533712.db2.gz DXZFUXSGZZAFSW-GOEBONIOSA-N 0 3 384.571 2.289 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928459199 654648226 /nfs/dbraw/zinc/64/82/26/654648226.db2.gz VICYMPSAIPSNJW-BXUZGUMPSA-N 0 3 396.285 2.307 20 30 GEEDHN CNC(=O)CN1CCCC12CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2 ZINC001164682747 719699848 /nfs/dbraw/zinc/69/98/48/719699848.db2.gz GZYJFYMMCSLSPW-UHFFFAOYSA-N 0 3 375.904 2.404 20 30 GEEDHN C[Si](C)(C)C#Cc1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738056 720728152 /nfs/dbraw/zinc/72/81/52/720728152.db2.gz DONVZIGLKDOLMR-RBUKOAKNSA-N 0 3 393.567 2.442 20 30 GEEDHN C=CCOc1cc(C)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866973 721092588 /nfs/dbraw/zinc/09/25/88/721092588.db2.gz WAQSIEWOHAIBQP-RTBURBONSA-N 0 3 381.480 2.225 20 30 GEEDHN Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1CC#N ZINC001164889501 721439057 /nfs/dbraw/zinc/43/90/57/721439057.db2.gz BEPDDTKVIOIEAX-IRLDBZIGSA-N 0 3 383.540 2.222 20 30 GEEDHN COc1cc(C#N)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978326 722121670 /nfs/dbraw/zinc/12/16/70/722121670.db2.gz OKUIGWYTXAFQLJ-PXNSSMCTSA-N 0 3 379.464 2.084 20 30 GEEDHN C=CCN1CCC(NC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000171716448 531914690 /nfs/dbraw/zinc/91/46/90/531914690.db2.gz NLGYINIYFYAXTC-UHFFFAOYSA-N 0 3 377.539 2.402 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000183432161 532325321 /nfs/dbraw/zinc/32/53/21/532325321.db2.gz XNDNPKZWGQBATI-UHFFFAOYSA-N 0 3 394.269 2.160 20 30 GEEDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C ZINC000294860635 532387992 /nfs/dbraw/zinc/38/79/92/532387992.db2.gz SYYYHGMOXOBYAD-FZMZJTMJSA-N 0 3 393.285 2.200 20 30 GEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328759 532408890 /nfs/dbraw/zinc/40/88/90/532408890.db2.gz PLPFTGGCJGYOSY-MRXNPFEDSA-N 0 3 398.326 2.427 20 30 GEEDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000591413708 532411667 /nfs/dbraw/zinc/41/16/67/532411667.db2.gz YPQJGNWMYAKZSE-ZDUSSCGKSA-N 0 3 393.285 2.250 20 30 GEEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)Cc1ccc(C#N)cc1 ZINC000295165509 532413476 /nfs/dbraw/zinc/41/34/76/532413476.db2.gz FKPYCEDGJLUCEY-ZDUSSCGKSA-N 0 3 378.372 2.204 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1N1CCCC1 ZINC000295204013 532418387 /nfs/dbraw/zinc/41/83/87/532418387.db2.gz VSNUULPMYJVKDG-IRXDYDNUSA-N 0 3 383.514 2.039 20 30 GEEDHN CN1CCC[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592763414 532460845 /nfs/dbraw/zinc/46/08/45/532460845.db2.gz WYHZUYVSKOZHLT-CYBMUJFWSA-N 0 3 391.313 2.215 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282586230 532480056 /nfs/dbraw/zinc/48/00/56/532480056.db2.gz GLWLETPZHYXQGE-HNNXBMFYSA-N 0 3 381.245 2.483 20 30 GEEDHN C[NH+](C)CCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593544483 532485614 /nfs/dbraw/zinc/48/56/14/532485614.db2.gz VDHHGVWXMSWYFI-UHFFFAOYSA-N 0 3 379.507 2.429 20 30 GEEDHN N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 ZINC000593545114 532485839 /nfs/dbraw/zinc/48/58/39/532485839.db2.gz ZREYVOQVZNYWBB-INIZCTEOSA-N 0 3 375.519 2.463 20 30 GEEDHN N#Cc1sccc1S(=O)(=O)NC[C@H]1CCN(CCc2ccccc2)C1 ZINC000593545123 532486167 /nfs/dbraw/zinc/48/61/67/532486167.db2.gz ZREYVOQVZNYWBB-MRXNPFEDSA-N 0 3 375.519 2.463 20 30 GEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCS(=O)(=O)C1 ZINC000432482607 532539999 /nfs/dbraw/zinc/53/99/99/532539999.db2.gz HHTUOSUGYAVXTN-OAHLLOKOSA-N 0 3 384.571 2.019 20 30 GEEDHN Cn1cc(Br)c(=O)c(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471093794 532542170 /nfs/dbraw/zinc/54/21/70/532542170.db2.gz ZGDGWRHIMZOZSR-ZDUSSCGKSA-N 0 3 385.221 2.340 20 30 GEEDHN CCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@@H]1CCN(CC)C1 ZINC000595131675 532544922 /nfs/dbraw/zinc/54/49/22/532544922.db2.gz RUPXEPXOMRJZOK-CYBMUJFWSA-N 0 3 393.285 2.202 20 30 GEEDHN C[C@H](CO)N1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000377408000 532657519 /nfs/dbraw/zinc/65/75/19/532657519.db2.gz DAQJECJNKJDVGQ-GFCCVEGCSA-N 0 3 381.274 2.241 20 30 GEEDHN N#Cc1cnn2c1NC[C@@H](CNCc1nc3c(cccc3Br)[nH]1)C2 ZINC000569693937 532703295 /nfs/dbraw/zinc/70/32/95/532703295.db2.gz BWQFCRXRLDIAFH-SNVBAGLBSA-N 0 3 386.257 2.225 20 30 GEEDHN CCN1CCN(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000266870746 532728384 /nfs/dbraw/zinc/72/83/84/532728384.db2.gz XMSYPXQNQZTZNM-INIZCTEOSA-N 0 3 379.302 2.158 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000442300823 532730180 /nfs/dbraw/zinc/73/01/80/532730180.db2.gz ZWXOKTXARKVXFS-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN C[C@H]1CCSCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000502842971 532741259 /nfs/dbraw/zinc/74/12/59/532741259.db2.gz OOPNGJXGNLVSNL-HOTGVXAUSA-N 0 3 378.567 2.284 20 30 GEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287197397 532785974 /nfs/dbraw/zinc/78/59/74/532785974.db2.gz LLOGHLBUJAPHRT-ZDUSSCGKSA-N 0 3 394.317 2.468 20 30 GEEDHN CN(C)CCN1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287206880 532786248 /nfs/dbraw/zinc/78/62/48/532786248.db2.gz MEEHFEBHCDPWFK-UHFFFAOYSA-N 0 3 394.317 2.468 20 30 GEEDHN O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCN2CCC[C@H]2C1 ZINC000329499835 532807922 /nfs/dbraw/zinc/80/79/22/532807922.db2.gz YDBQMULOMAIDEW-ZDUSSCGKSA-N 0 3 396.285 2.414 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCn2cc(Br)cn2)CC1 ZINC000288606080 532833056 /nfs/dbraw/zinc/83/30/56/532833056.db2.gz NBTGDGNBDVMGQP-UHFFFAOYSA-N 0 3 384.322 2.328 20 30 GEEDHN O=C(NC[C@@H]1CCCCN1CCO)c1cccc(I)c1 ZINC000331327765 532837965 /nfs/dbraw/zinc/83/79/65/532837965.db2.gz NJBFMIIAWVPBNB-AWEZNQCLSA-N 0 3 388.249 2.443 20 30 GEEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000017962573 209173511 /nfs/dbraw/zinc/17/35/11/209173511.db2.gz YOEFMCBCRRTNOL-UHFFFAOYSA-N 0 3 379.526 2.145 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)CC[C@H]21 ZINC000333150470 532865576 /nfs/dbraw/zinc/86/55/76/532865576.db2.gz KMTOKGDRBKDGPO-UKRRQHHQSA-N 0 3 398.326 2.426 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000416365223 532872100 /nfs/dbraw/zinc/87/21/00/532872100.db2.gz AMWNZQMQZLPMOU-LLVKDONJSA-N 0 3 384.299 2.083 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000416365229 532872241 /nfs/dbraw/zinc/87/22/41/532872241.db2.gz AMWNZQMQZLPMOU-NSHDSACASA-N 0 3 384.299 2.083 20 30 GEEDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416380995 532874263 /nfs/dbraw/zinc/87/42/63/532874263.db2.gz GCWGIAXXDIBSIE-GFCCVEGCSA-N 0 3 386.315 2.331 20 30 GEEDHN N#Cc1cc(NC(=O)C(=O)NCCN2CCCCCC2)ccc1Br ZINC000293161884 532922903 /nfs/dbraw/zinc/92/29/03/532922903.db2.gz WSOGHOUUTZMPKE-UHFFFAOYSA-N 0 3 393.285 2.251 20 30 GEEDHN C#CCN(C)CCCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000293869834 532932657 /nfs/dbraw/zinc/93/26/57/532932657.db2.gz BSGIXURGJOJULV-UHFFFAOYSA-N 0 3 381.270 2.102 20 30 GEEDHN CC[NH+](CC)CC#C[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821181271 607322582 /nfs/dbraw/zinc/32/25/82/607322582.db2.gz LCKMODRQTXVTFO-AWEZNQCLSA-N 0 3 396.451 2.449 20 30 GEEDHN CC[NH+](CC)CC#C[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821181176 607322640 /nfs/dbraw/zinc/32/26/40/607322640.db2.gz KMEYIFCRLOFDRT-OAHLLOKOSA-N 0 3 385.468 2.301 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586013 607114236 /nfs/dbraw/zinc/11/42/36/607114236.db2.gz FWIXTWNDKBOBDD-UHFFFAOYSA-N 0 3 392.423 2.215 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586013 607114238 /nfs/dbraw/zinc/11/42/38/607114238.db2.gz FWIXTWNDKBOBDD-UHFFFAOYSA-N 0 3 392.423 2.215 20 30 GEEDHN CN1CC[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)[C@H]2C1 ZINC000450487965 650066018 /nfs/dbraw/zinc/06/60/18/650066018.db2.gz NVZBVNGBYYFWOH-WFASDCNBSA-N 0 3 378.270 2.252 20 30 GEEDHN C=CCNC(=O)CN1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451188011 650094678 /nfs/dbraw/zinc/09/46/78/650094678.db2.gz HCUMWQNOPSGSGY-CQSZACIVSA-N 0 3 384.261 2.458 20 30 GEEDHN CN(C)CCn1nccc1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000452525580 650188259 /nfs/dbraw/zinc/18/82/59/650188259.db2.gz UANILBGXIJNUPG-UHFFFAOYSA-N 0 3 392.257 2.096 20 30 GEEDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000454107741 650253638 /nfs/dbraw/zinc/25/36/38/650253638.db2.gz RQUSHLRVVWHUDV-AWEZNQCLSA-N 0 3 393.285 2.200 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC000106040511 643218810 /nfs/dbraw/zinc/21/88/10/643218810.db2.gz KIZHAJXAVJRDAB-UHFFFAOYSA-N 0 3 385.917 2.018 20 30 GEEDHN COc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000113360856 643394884 /nfs/dbraw/zinc/39/48/84/643394884.db2.gz FBPPDISQIQKJBU-FOCLMDBBSA-N 0 3 380.242 2.074 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173938670 644364555 /nfs/dbraw/zinc/36/45/55/644364555.db2.gz DDZHDAWSPNFIJZ-RISCZKNCSA-N 0 3 383.242 2.078 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181150542 644526202 /nfs/dbraw/zinc/52/62/02/644526202.db2.gz WJRILEHVEWJBPB-KRWDZBQOSA-N 0 3 391.313 2.059 20 30 GEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000247652777 645515435 /nfs/dbraw/zinc/51/54/35/645515435.db2.gz WPXWRPHZIKGLRU-BBRMVZONSA-N 0 3 398.326 2.426 20 30 GEEDHN C=CCN1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000271068547 646170249 /nfs/dbraw/zinc/17/02/49/646170249.db2.gz NKYQXFNFSMCOEP-INIZCTEOSA-N 0 3 382.302 2.432 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277248566 646393871 /nfs/dbraw/zinc/39/38/71/646393871.db2.gz DMWICWBOLBQOSA-MRXNPFEDSA-N 0 3 393.325 2.062 20 30 GEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278716303 646542759 /nfs/dbraw/zinc/54/27/59/646542759.db2.gz IGWBFDKHZCPLOG-BBRMVZONSA-N 0 3 398.326 2.426 20 30 GEEDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416432396 648126080 /nfs/dbraw/zinc/12/60/80/648126080.db2.gz JYONEYSOBPUGJK-UKRRQHHQSA-N 0 3 398.326 2.426 20 30 GEEDHN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1=CCN(C)CC1 ZINC000419729553 648371712 /nfs/dbraw/zinc/37/17/12/648371712.db2.gz OPEPZVVDLCJKCX-LLVKDONJSA-N 0 3 391.269 2.026 20 30 GEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093949 648612597 /nfs/dbraw/zinc/61/25/97/648612597.db2.gz SNZSKFVEFKHPFV-ZWNOBZJWSA-N 0 3 382.258 2.419 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1N1CCCC1 ZINC000570276330 651756969 /nfs/dbraw/zinc/75/69/69/651756969.db2.gz HCIPABOJPVRRCL-MSOLQXFVSA-N 0 3 379.551 2.094 20 30 GEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202484 652476841 /nfs/dbraw/zinc/47/68/41/652476841.db2.gz UCLNXTUNNKJMQW-BBRMVZONSA-N 0 3 379.302 2.413 20 30 GEEDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000593718105 652633354 /nfs/dbraw/zinc/63/33/54/652633354.db2.gz KJYMKPWLRZOAHA-UHFFFAOYSA-N 0 3 393.285 2.204 20 30 GEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H](CO)c1cccc(Br)c1 ZINC000599356155 652863741 /nfs/dbraw/zinc/86/37/41/652863741.db2.gz ADPMATVLRWHIMT-SJORKVTESA-N 0 3 391.265 2.384 20 30 GEEDHN CCCN1CCN(c2ccccc2C=NNC(=S)NCCSC)CC1 ZINC000769601703 653165243 /nfs/dbraw/zinc/16/52/43/653165243.db2.gz HMRZNHOVMPZVTF-UHFFFAOYSA-N 0 3 379.599 2.380 20 30 GEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000808426276 653229462 /nfs/dbraw/zinc/22/94/62/653229462.db2.gz ABXVVNOERZEWFV-ZDUSSCGKSA-N 0 3 386.311 2.376 20 30 GEEDHN CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCC1(C)C ZINC000874099424 653262873 /nfs/dbraw/zinc/26/28/73/653262873.db2.gz XPJVIBHRKLZISV-UHFFFAOYSA-N 0 3 393.285 2.202 20 30 GEEDHN C#CCN1CCN(C(=O)CNC(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000810130470 653328084 /nfs/dbraw/zinc/32/80/84/653328084.db2.gz ONUVEUJFQTVXBX-UHFFFAOYSA-N 0 3 392.341 2.360 20 30 GEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823604 653338026 /nfs/dbraw/zinc/33/80/26/653338026.db2.gz BFZZVIAGYGNCAK-HOTGVXAUSA-N 0 3 378.270 2.395 20 30 GEEDHN CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@@H](O)c1ccccc1Br ZINC000859327459 653441845 /nfs/dbraw/zinc/44/18/45/653441845.db2.gz SDIVKSMSWWOPEG-RHSMWYFYSA-N 0 3 397.313 2.486 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000815083028 653650689 /nfs/dbraw/zinc/65/06/89/653650689.db2.gz LTKNKAKLIFDQEQ-UHFFFAOYSA-N 0 3 396.310 2.231 20 30 GEEDHN C#CCNC(=O)CCN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000815106211 653652328 /nfs/dbraw/zinc/65/23/28/653652328.db2.gz QEVAVGOHHWHKCE-ZDUSSCGKSA-N 0 3 393.203 2.230 20 30 GEEDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000861354003 653655547 /nfs/dbraw/zinc/65/55/47/653655547.db2.gz RTFYFKRZKPILFB-YOEHRIQHSA-N 0 3 397.269 2.352 20 30 GEEDHN C=C(Br)CNC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000840273340 653681243 /nfs/dbraw/zinc/68/12/43/653681243.db2.gz NBSQDSBBLCJMGG-UHFFFAOYSA-N 0 3 382.302 2.221 20 30 GEEDHN C=CCN1CCC(NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865193910 653756745 /nfs/dbraw/zinc/75/67/45/653756745.db2.gz PJUNDFIYTUCEAK-QGZVFWFLSA-N 0 3 394.313 2.393 20 30 GEEDHN CN(CCOc1ccc(Br)cc1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884054801 653861692 /nfs/dbraw/zinc/86/16/92/653861692.db2.gz RNJHDRLHFXQUML-TXKKKEFDSA-N 0 3 392.297 2.426 20 30 GEEDHN N#C[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000900112004 654050531 /nfs/dbraw/zinc/05/05/31/654050531.db2.gz ODMULXPTNQENQD-INIZCTEOSA-N 0 3 378.270 2.241 20 30 GEEDHN N#C[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1cccc(Br)c1 ZINC000900465299 654065966 /nfs/dbraw/zinc/06/59/66/654065966.db2.gz ZNQPFLXTKVTDBI-INIZCTEOSA-N 0 3 378.270 2.241 20 30 GEEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cnc(C#N)n1 ZINC000798815598 654077274 /nfs/dbraw/zinc/07/72/74/654077274.db2.gz ASRMKYOTNKZAJL-PELKAZGASA-N 0 3 377.191 2.365 20 30 GEEDHN C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@H]1N1CCN(C)CC1 ZINC000888416298 654082390 /nfs/dbraw/zinc/08/23/90/654082390.db2.gz ZQRKSELNAKJLFS-VXGBXAGGSA-N 0 3 382.921 2.158 20 30 GEEDHN C#CCCN(CC(F)(F)F)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000831120243 654165284 /nfs/dbraw/zinc/16/52/84/654165284.db2.gz BYNRGASXZMRWEM-SECBINFHSA-N 0 3 383.310 2.088 20 30 GEEDHN COCCC(=O)N1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921857727 654333137 /nfs/dbraw/zinc/33/31/37/654333137.db2.gz AOVJSHRMIWVGER-UHFFFAOYSA-N 0 3 380.286 2.438 20 30 GEEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)C2)s1 ZINC000907344188 654533852 /nfs/dbraw/zinc/53/38/52/654533852.db2.gz CVUSJUSIKSHCJW-HOCLYGCPSA-N 0 3 384.571 2.147 20 30 GEEDHN C#CCN(C)CCCN1C(=O)[C@H](c2ccc(Br)s2)N(C)C1=O ZINC000925315450 654540982 /nfs/dbraw/zinc/54/09/82/654540982.db2.gz XZBSRNLPWODTQG-ZDUSSCGKSA-N 0 3 384.299 2.401 20 30 GEEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2I)CCN1C ZINC000932547245 654780824 /nfs/dbraw/zinc/78/08/24/654780824.db2.gz GHRPZQIAWUEBJU-BXKDBHETSA-N 0 3 384.221 2.377 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC1 ZINC000914171581 654831575 /nfs/dbraw/zinc/83/15/75/654831575.db2.gz YRMJNCFIKOUHFZ-IZAXUBKRSA-N 0 3 391.309 2.261 20 30 GEEDHN CN(C)C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)c2ccccc2O1 ZINC000914252041 654838819 /nfs/dbraw/zinc/83/88/19/654838819.db2.gz PWFJOYDERANFRG-AWEZNQCLSA-N 0 3 377.491 2.279 20 30 GEEDHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164690318 719736066 /nfs/dbraw/zinc/73/60/66/719736066.db2.gz ZUZWXICGWLHTRF-UHFFFAOYSA-N 0 3 390.491 2.196 20 30 GEEDHN N#Cc1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164866039 721061317 /nfs/dbraw/zinc/06/13/17/721061317.db2.gz BXKFRCQTPDOGHL-RTBURBONSA-N 0 3 386.459 2.376 20 30 GEEDHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888747 721428723 /nfs/dbraw/zinc/42/87/23/721428723.db2.gz AQJDRGHEUQKSHT-AVRDEDQJSA-N 0 3 394.523 2.200 20 30 GEEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909222 721563266 /nfs/dbraw/zinc/56/32/66/721563266.db2.gz TUWHTAIBYFEVHQ-AEFFLSMTSA-N 0 3 396.422 2.221 20 30 GEEDHN COc1cc(C#N)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978327 722121352 /nfs/dbraw/zinc/12/13/52/722121352.db2.gz OKUIGWYTXAFQLJ-XLIONFOSSA-N 0 3 379.464 2.084 20 30 GEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155238677 531668389 /nfs/dbraw/zinc/66/83/89/531668389.db2.gz AZKICERPUXTRMW-ABAIWWIYSA-N 0 3 386.315 2.281 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1 ZINC000155235721 531666254 /nfs/dbraw/zinc/66/62/54/531666254.db2.gz AWSQZRAUJDUUIF-CYBMUJFWSA-N 0 3 398.326 2.427 20 30 GEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736549 532075142 /nfs/dbraw/zinc/07/51/42/532075142.db2.gz UYQSVMIQSSCXSP-WFASDCNBSA-N 0 3 383.279 2.084 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)cc2C(=O)NC)CC1 ZINC000128841695 532169337 /nfs/dbraw/zinc/16/93/37/532169337.db2.gz RAESLSIKELOVQH-UHFFFAOYSA-N 0 3 378.270 2.092 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000294723188 532377183 /nfs/dbraw/zinc/37/71/83/532377183.db2.gz VHGBJAZMCPIWIY-UHFFFAOYSA-N 0 3 390.285 2.410 20 30 GEEDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C ZINC000294860644 532387919 /nfs/dbraw/zinc/38/79/19/532387919.db2.gz SYYYHGMOXOBYAD-SMDDNHRTSA-N 0 3 393.285 2.200 20 30 GEEDHN C=CCOc1c(Br)cc(CNCCc2nnnn2C)cc1OCC ZINC000678498218 532396764 /nfs/dbraw/zinc/39/67/64/532396764.db2.gz FJQHGWQBCKVSSV-UHFFFAOYSA-N 0 3 396.289 2.268 20 30 GEEDHN CCN1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592747842 532459121 /nfs/dbraw/zinc/45/91/21/532459121.db2.gz NMFRWXNVAGVONL-UHFFFAOYSA-N 0 3 391.313 2.357 20 30 GEEDHN CN(C)CC(C)(C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592804904 532467928 /nfs/dbraw/zinc/46/79/28/532467928.db2.gz RGJLIRFNILDPBQ-UHFFFAOYSA-N 0 3 379.302 2.213 20 30 GEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCS(=O)(=O)C1 ZINC000432482606 532539950 /nfs/dbraw/zinc/53/99/50/532539950.db2.gz HHTUOSUGYAVXTN-HNNXBMFYSA-N 0 3 384.571 2.019 20 30 GEEDHN C#CCN(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000298356471 532645063 /nfs/dbraw/zinc/64/50/63/532645063.db2.gz CCBFWMGDJWWVMH-UHFFFAOYSA-N 0 3 383.901 2.018 20 30 GEEDHN C[C@@H](CO)N1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000377408003 532657455 /nfs/dbraw/zinc/65/74/55/532657455.db2.gz DAQJECJNKJDVGQ-LBPRGKRZSA-N 0 3 381.274 2.241 20 30 GEEDHN CCN1CCN(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000266870748 532728204 /nfs/dbraw/zinc/72/82/04/532728204.db2.gz XMSYPXQNQZTZNM-MRXNPFEDSA-N 0 3 379.302 2.158 20 30 GEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000410157156 532736371 /nfs/dbraw/zinc/73/63/71/532736371.db2.gz WSANOTQQHWYHGD-MRXNPFEDSA-N 0 3 388.603 2.054 20 30 GEEDHN C=CCSCCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000286582351 532756832 /nfs/dbraw/zinc/75/68/32/532756832.db2.gz VCTJOUYHAGDLND-HNNXBMFYSA-N 0 3 381.567 2.112 20 30 GEEDHN C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C1=CCN(C)CC1 ZINC000329360052 532806355 /nfs/dbraw/zinc/80/63/55/532806355.db2.gz XUCNPLQAMQOROL-CYBMUJFWSA-N 0 3 383.539 2.488 20 30 GEEDHN N#Cc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1Br ZINC000287624474 532803338 /nfs/dbraw/zinc/80/33/38/532803338.db2.gz ZAZLOIQWBDCOPI-UHFFFAOYSA-N 0 3 393.285 2.251 20 30 GEEDHN CN(C)C1(CNS(=O)(=O)c2cccc(Br)c2C#N)CCCC1 ZINC000330482194 532819454 /nfs/dbraw/zinc/81/94/54/532819454.db2.gz SSYXTBYRXMTVCL-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000272924888 532819928 /nfs/dbraw/zinc/81/99/28/532819928.db2.gz YNVWLYLQAGKRKL-LBPRGKRZSA-N 0 3 389.315 2.357 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CC[C@@H]21 ZINC000288270600 532823089 /nfs/dbraw/zinc/82/30/89/532823089.db2.gz UOYSXNBGEPLPDM-DOMZBBRYSA-N 0 3 398.326 2.426 20 30 GEEDHN CN(C)[C@@]1(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CCSC1 ZINC000331106181 532833161 /nfs/dbraw/zinc/83/31/61/532833161.db2.gz QWRCXZCPSYSLCT-OAHLLOKOSA-N 0 3 391.946 2.453 20 30 GEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)CCn1cc(Br)cn1 ZINC000288731707 532836629 /nfs/dbraw/zinc/83/66/29/532836629.db2.gz GSBXXFQMDMBTLB-UHFFFAOYSA-N 0 3 376.258 2.478 20 30 GEEDHN CN(C)C1(CN(C)S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000332496523 532856352 /nfs/dbraw/zinc/85/63/52/532856352.db2.gz VCFICEDILLFUGM-UHFFFAOYSA-N 0 3 386.315 2.426 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1(N(C)C)CC1 ZINC000416302147 532869914 /nfs/dbraw/zinc/86/99/14/532869914.db2.gz NNKABLJZARKOEW-UHFFFAOYSA-N 0 3 396.285 2.309 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000291538677 532904061 /nfs/dbraw/zinc/90/40/61/532904061.db2.gz RYICJDRBOYMRQH-UHFFFAOYSA-N 0 3 395.301 2.248 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000367682831 532926530 /nfs/dbraw/zinc/92/65/30/532926530.db2.gz BXUVECXEKRRJHL-GDBMZVCRSA-N 0 3 379.844 2.466 20 30 GEEDHN C=CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CC1 ZINC000735426669 598361513 /nfs/dbraw/zinc/36/15/13/598361513.db2.gz UTVNKXCNRQNROE-UHFFFAOYSA-N 0 3 399.524 2.241 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000819743164 599676695 /nfs/dbraw/zinc/67/66/95/599676695.db2.gz DKQDTVGBOIWGLM-UHFFFAOYSA-N 0 3 383.500 2.439 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000819743164 599676696 /nfs/dbraw/zinc/67/66/96/599676696.db2.gz DKQDTVGBOIWGLM-UHFFFAOYSA-N 0 3 383.500 2.439 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821586112 606511993 /nfs/dbraw/zinc/51/19/93/606511993.db2.gz KDMYYXAPEDLEDI-UHFFFAOYSA-N 0 3 381.465 2.004 20 30 GEEDHN CS[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1N(C)C ZINC000450266726 650063332 /nfs/dbraw/zinc/06/33/32/650063332.db2.gz STRBNXXGBMMATM-UKRRQHHQSA-N 0 3 398.326 2.204 20 30 GEEDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451174296 650093261 /nfs/dbraw/zinc/09/32/61/650093261.db2.gz WITGPDVHZDGKGJ-SNVBAGLBSA-N 0 3 392.294 2.468 20 30 GEEDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451174296 650093263 /nfs/dbraw/zinc/09/32/63/650093263.db2.gz WITGPDVHZDGKGJ-SNVBAGLBSA-N 0 3 392.294 2.468 20 30 GEEDHN CC[N@H+](CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C ZINC000451430685 650113255 /nfs/dbraw/zinc/11/32/55/650113255.db2.gz NMIKYNLKLIXEBZ-UHFFFAOYSA-N 0 3 392.294 2.468 20 30 GEEDHN CC[N@@H+](CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C ZINC000451430685 650113257 /nfs/dbraw/zinc/11/32/57/650113257.db2.gz NMIKYNLKLIXEBZ-UHFFFAOYSA-N 0 3 392.294 2.468 20 30 GEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453361745 650208606 /nfs/dbraw/zinc/20/86/06/650208606.db2.gz PIGBLCJXIUAONI-BIMULSAOSA-N 0 3 375.288 2.091 20 30 GEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000454107742 650253712 /nfs/dbraw/zinc/25/37/12/650253712.db2.gz RQUSHLRVVWHUDV-CQSZACIVSA-N 0 3 393.285 2.200 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000480734537 650629875 /nfs/dbraw/zinc/62/98/75/650629875.db2.gz QKHQYVNUWCLIMV-IAGOWNOFSA-N 0 3 383.514 2.039 20 30 GEEDHN Cc1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)n1 ZINC000069283716 643028551 /nfs/dbraw/zinc/02/85/51/643028551.db2.gz PLOOXDSJHXUGGR-LBPRGKRZSA-N 0 3 396.519 2.007 20 30 GEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000129676654 643826169 /nfs/dbraw/zinc/82/61/69/643826169.db2.gz BOBDQUXCRBKFFZ-MWLCHTKSSA-N 0 3 383.235 2.431 20 30 GEEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130239787 643832580 /nfs/dbraw/zinc/83/25/80/643832580.db2.gz FRTPVQFVJHOHMQ-WCBMZHEXSA-N 0 3 381.820 2.436 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1ccccc1Br ZINC000193425733 645272246 /nfs/dbraw/zinc/27/22/46/645272246.db2.gz JLXBDYRXLOGQJU-GFCCVEGCSA-N 0 3 383.242 2.080 20 30 GEEDHN C#CCSCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295679408 647237080 /nfs/dbraw/zinc/23/70/80/647237080.db2.gz KUCJIXNEIVFDJP-GFCCVEGCSA-N 0 3 385.327 2.418 20 30 GEEDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733311584 651699485 /nfs/dbraw/zinc/69/94/85/651699485.db2.gz WAYMXRDUAVCQIR-AGIUHOORSA-N 0 3 379.507 2.226 20 30 GEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000611394516 651722729 /nfs/dbraw/zinc/72/27/29/651722729.db2.gz OUZFCNYAYIXGFL-NVXWUHKLSA-N 0 3 376.503 2.422 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCN(c3nccs3)CC2)cc1 ZINC000576865581 652148953 /nfs/dbraw/zinc/14/89/53/652148953.db2.gz AJHBFCCELNUWLN-UHFFFAOYSA-N 0 3 376.507 2.047 20 30 GEEDHN C=CCOc1c(Cl)cc(CN[C@@H](CC)CNS(C)(=O)=O)cc1OC ZINC000623538138 652245561 /nfs/dbraw/zinc/24/55/61/652245561.db2.gz YJCWZGLGDCRHDN-ZDUSSCGKSA-N 0 3 376.906 2.331 20 30 GEEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000578803083 652295013 /nfs/dbraw/zinc/29/50/13/652295013.db2.gz JECSJSFPSVLSMI-HNNXBMFYSA-N 0 3 384.571 2.475 20 30 GEEDHN C=CCN1CC[C@@H](N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625796934 652371743 /nfs/dbraw/zinc/37/17/43/652371743.db2.gz NZAKJOPFOLULEO-AEFFLSMTSA-N 0 3 379.298 2.045 20 30 GEEDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588633789 652553533 /nfs/dbraw/zinc/55/35/33/652553533.db2.gz OYQQKHPEDQZZRV-ZDUSSCGKSA-N 0 3 393.285 2.250 20 30 GEEDHN N#Cc1cc(F)c(N2CCC[C@@H](n3cc(CN)nn3)C2)cc1Br ZINC000596014857 652746572 /nfs/dbraw/zinc/74/65/72/652746572.db2.gz UTFRGFNWWYBUSK-GFCCVEGCSA-N 0 3 379.237 2.352 20 30 GEEDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000601421243 653093788 /nfs/dbraw/zinc/09/37/88/653093788.db2.gz IMKICWYWTMBLKP-ZANVPECISA-N 0 3 390.278 2.173 20 30 GEEDHN Brc1cc(N=NC2CCN(CCN3CCOCC3)CC2)ccn1 ZINC000769811045 653178867 /nfs/dbraw/zinc/17/88/67/653178867.db2.gz VTMCSMRSFKSVMU-UHFFFAOYSA-N 0 3 382.306 2.040 20 30 GEEDHN Cc1cc(S(=O)(=O)NCCN[C@@H](C)CC2(C#N)CCOCC2)c(C)s1 ZINC000602575283 653192057 /nfs/dbraw/zinc/19/20/57/653192057.db2.gz RRSPCVMEAMBYAP-ZDUSSCGKSA-N 0 3 385.555 2.332 20 30 GEEDHN C=C(Br)CNC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000808924846 653237375 /nfs/dbraw/zinc/23/73/75/653237375.db2.gz WGDSNFJAFKQDKU-MRXNPFEDSA-N 0 3 396.329 2.284 20 30 GEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823603 653338093 /nfs/dbraw/zinc/33/80/93/653338093.db2.gz BFZZVIAGYGNCAK-CVEARBPZSA-N 0 3 378.270 2.395 20 30 GEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826841 653338355 /nfs/dbraw/zinc/33/83/55/653338355.db2.gz QDWNTZHRDDGAPW-GJZGRUSLSA-N 0 3 378.270 2.395 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000836446021 653352702 /nfs/dbraw/zinc/35/27/02/653352702.db2.gz PEVMVGJDCMAQGO-AWEZNQCLSA-N 0 3 384.249 2.276 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000876567339 653436175 /nfs/dbraw/zinc/43/61/75/653436175.db2.gz IWJLUYLAYUNXSA-VIFPVBQESA-N 0 3 382.173 2.488 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(I)s1 ZINC000876644746 653440901 /nfs/dbraw/zinc/44/09/01/653440901.db2.gz HCXIMPSCBVLQAR-VIFPVBQESA-N 0 3 384.670 2.481 20 30 GEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)O1 ZINC000860473169 653627912 /nfs/dbraw/zinc/62/79/12/653627912.db2.gz IYZZTDNVVASHGZ-XQQFMLRXSA-N 0 3 385.203 2.361 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)ccc1OCC ZINC000815082129 653650364 /nfs/dbraw/zinc/65/03/64/653650364.db2.gz AGFRQWDAWQDZRR-UHFFFAOYSA-N 0 3 389.315 2.081 20 30 GEEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)N1CCCCC1 ZINC000815401517 653658405 /nfs/dbraw/zinc/65/84/05/653658405.db2.gz BNPMSGJWJZKWTR-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000818584750 653734046 /nfs/dbraw/zinc/73/40/46/653734046.db2.gz XBORWMOZLFITMK-UHFFFAOYSA-N 0 3 375.270 2.320 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881864646 653744482 /nfs/dbraw/zinc/74/44/82/653744482.db2.gz WRMMQLIWZWXBDW-UHFFFAOYSA-N 0 3 380.242 2.319 20 30 GEEDHN C#C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000820611430 653778083 /nfs/dbraw/zinc/77/80/83/653778083.db2.gz KTPZFQUPURRYOS-DLBZAZTESA-N 0 3 394.313 2.269 20 30 GEEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000820612233 653778223 /nfs/dbraw/zinc/77/82/23/653778223.db2.gz SNMYIGIVNNBVNK-DLBZAZTESA-N 0 3 394.313 2.269 20 30 GEEDHN N#Cc1ncc(Br)cc1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000882815089 653811363 /nfs/dbraw/zinc/81/13/63/653811363.db2.gz ZTXWEAMNVFOVBL-UHFFFAOYSA-N 0 3 392.301 2.026 20 30 GEEDHN Cc1c(NC(=O)C(=O)NCCN2CCC[C@@H]2C)ccc(Br)c1C#N ZINC000824519278 653899958 /nfs/dbraw/zinc/89/99/58/653899958.db2.gz ZLXZAZDSMMNCJY-NSHDSACASA-N 0 3 393.285 2.168 20 30 GEEDHN C#CCN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)C1CCN(C)CC1 ZINC000886577348 653992481 /nfs/dbraw/zinc/99/24/81/653992481.db2.gz FRGOFQXGLWEEAX-QGZVFWFLSA-N 0 3 377.282 2.309 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796791284 654008429 /nfs/dbraw/zinc/00/84/29/654008429.db2.gz FAOZDOPTIXWCPL-NSHDSACASA-N 0 3 397.229 2.027 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000916920835 654110828 /nfs/dbraw/zinc/11/08/28/654110828.db2.gz NSTYVBOPOPDTEL-NSHDSACASA-N 0 3 375.479 2.130 20 30 GEEDHN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)ccc1Cl ZINC000917508622 654126751 /nfs/dbraw/zinc/12/67/51/654126751.db2.gz DTADZWPRIATBCV-LLVKDONJSA-N 0 3 377.809 2.100 20 30 GEEDHN C[C@H](C#N)OCCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000801930237 654212821 /nfs/dbraw/zinc/21/28/21/654212821.db2.gz KBKWPWIRUJFHQC-CHWSQXEVSA-N 0 3 381.274 2.423 20 30 GEEDHN C[C@H](C#N)OCCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000801930308 654212843 /nfs/dbraw/zinc/21/28/43/654212843.db2.gz MLAQZLSYRZZTBZ-GFCCVEGCSA-N 0 3 381.274 2.423 20 30 GEEDHN C[C@]12CCN(C(=O)[C@H](N)CCCC#N)C[C@H]1C2(Br)Br ZINC000852901423 654266671 /nfs/dbraw/zinc/26/66/71/654266671.db2.gz HQRTWADUEHDPBC-FOGDFJRCSA-N 0 3 393.123 2.362 20 30 GEEDHN C#CCN(C(=O)NCc1ccc([O-])c(Br)c1)C1CC[NH+](C)CC1 ZINC000921528993 654278500 /nfs/dbraw/zinc/27/85/00/654278500.db2.gz XCHRWXWDNKLWGZ-UHFFFAOYSA-N 0 3 380.286 2.394 20 30 GEEDHN N#Cc1ccc(Br)c(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968905 654349378 /nfs/dbraw/zinc/34/93/78/654349378.db2.gz HGESAORQYJTBLA-GOEBONIOSA-N 0 3 399.310 2.147 20 30 GEEDHN CSC1(CNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)CCN(C)CC1 ZINC000915735287 654878303 /nfs/dbraw/zinc/87/83/03/654878303.db2.gz OOQXHCFFANQHSD-UHFFFAOYSA-N 0 3 381.567 2.422 20 30 GEEDHN COc1cc(C#N)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978324 722121258 /nfs/dbraw/zinc/12/12/58/722121258.db2.gz OKUIGWYTXAFQLJ-FXAWDEMLSA-N 0 3 379.464 2.084 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094123151 531931447 /nfs/dbraw/zinc/93/14/47/531931447.db2.gz NLXQEHYGIPMJBJ-UHFFFAOYSA-N 0 3 378.274 2.262 20 30 GEEDHN N#Cc1ccc2ncc(CNCCNC(=O)c3cccc(Br)c3)n2c1 ZINC000123758468 532107569 /nfs/dbraw/zinc/10/75/69/532107569.db2.gz NDFXOPMHFQVTAQ-UHFFFAOYSA-N 0 3 398.264 2.488 20 30 GEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955952 532393198 /nfs/dbraw/zinc/39/31/98/532393198.db2.gz YTPUIDABLJTDKM-XHDPSFHLSA-N 0 3 393.285 2.058 20 30 GEEDHN CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1N1CCCC1 ZINC000295204014 532417712 /nfs/dbraw/zinc/41/77/12/532417712.db2.gz VSNUULPMYJVKDG-SJORKVTESA-N 0 3 383.514 2.039 20 30 GEEDHN N#Cc1cnn2c1NC[C@H](CNCc1cc(Br)cc3c1OCC3)C2 ZINC000517567272 532420219 /nfs/dbraw/zinc/42/02/19/532420219.db2.gz IETIEEBMKYGJBY-NSHDSACASA-N 0 3 388.269 2.284 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000563035295 532495734 /nfs/dbraw/zinc/49/57/34/532495734.db2.gz TZJRMCIWQKUQMS-CYBMUJFWSA-N 0 3 385.331 2.176 20 30 GEEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1Br ZINC000297146317 532570321 /nfs/dbraw/zinc/57/03/21/532570321.db2.gz UFFGEBDGRDNZNG-CQSZACIVSA-N 0 3 381.274 2.289 20 30 GEEDHN N#Cc1ccc(S(N)(=O)=O)cc1NC1CCN(Cc2ccsc2)CC1 ZINC000376232101 532602787 /nfs/dbraw/zinc/60/27/87/532602787.db2.gz UNGRIVKKYGQFHL-UHFFFAOYSA-N 0 3 376.507 2.344 20 30 GEEDHN CCCN1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000598342198 532645146 /nfs/dbraw/zinc/64/51/46/532645146.db2.gz KEQUTDZFOGZLCP-INIZCTEOSA-N 0 3 391.313 2.357 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccsc2)cc1 ZINC000481043637 532665254 /nfs/dbraw/zinc/66/52/54/532665254.db2.gz WWTJZRQOZRDVDG-NHYWBVRUSA-N 0 3 379.463 2.289 20 30 GEEDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000500679360 532732732 /nfs/dbraw/zinc/73/27/32/532732732.db2.gz QSBPSCMWDJAZKS-SMDDNHRTSA-N 0 3 393.285 2.200 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1 ZINC000408435102 532719100 /nfs/dbraw/zinc/71/91/00/532719100.db2.gz LDDYPYGOQOMNSW-LSDHHAIUSA-N 0 3 384.299 2.226 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCN(CC)CC ZINC000411247011 532751671 /nfs/dbraw/zinc/75/16/71/532751671.db2.gz SSSPUBABTBJLOT-UHFFFAOYSA-N 0 3 398.301 2.410 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302058112 532765577 /nfs/dbraw/zinc/76/55/77/532765577.db2.gz BIRHWFISTVGHCT-INIZCTEOSA-N 0 3 377.286 2.064 20 30 GEEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000269683583 532786133 /nfs/dbraw/zinc/78/61/33/532786133.db2.gz TZXDOBBJBIEWRP-UHFFFAOYSA-N 0 3 383.901 2.135 20 30 GEEDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709610 532807457 /nfs/dbraw/zinc/80/74/57/532807457.db2.gz GEZOUHFRWDESSC-SWLSCSKDSA-N 0 3 398.326 2.426 20 30 GEEDHN CC(C(=O)NCc1cn2cc(Cl)ccc2n1)S(=O)(=O)C1CCOCC1 ZINC000330026148 532813896 /nfs/dbraw/zinc/81/38/96/532813896.db2.gz BHZSIPUESJDHRU-NSHDSACASA-N 0 3 385.873 2.427 20 30 GEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288370592 532825781 /nfs/dbraw/zinc/82/57/81/532825781.db2.gz YYDCUKJHTFMECX-RISCZKNCSA-N 0 3 386.315 2.281 20 30 GEEDHN O=C(NC[C@H]1CCCCN1CCO)c1cccc(I)c1 ZINC000331327766 532837782 /nfs/dbraw/zinc/83/77/82/532837782.db2.gz NJBFMIIAWVPBNB-CQSZACIVSA-N 0 3 388.249 2.443 20 30 GEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419726725 532882721 /nfs/dbraw/zinc/88/27/21/532882721.db2.gz HUDVFWHWACKVNZ-CYBMUJFWSA-N 0 3 393.285 2.200 20 30 GEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293184105 532923192 /nfs/dbraw/zinc/92/31/92/532923192.db2.gz VHEYRIXSERXXFO-AWEZNQCLSA-N 0 3 395.301 2.352 20 30 GEEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293251972 532924236 /nfs/dbraw/zinc/92/42/36/532924236.db2.gz CZOSKVWGKVDWMH-AWEZNQCLSA-N 0 3 393.285 2.250 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1ncc(Br)cc1Br ZINC000293945179 532933821 /nfs/dbraw/zinc/93/38/21/532933821.db2.gz JNWJRWHNDGHJLY-UHFFFAOYSA-N 0 3 389.091 2.292 20 30 GEEDHN CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821181275 607322579 /nfs/dbraw/zinc/32/25/79/607322579.db2.gz LCKMODRQTXVTFO-CQSZACIVSA-N 0 3 396.451 2.449 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000819743293 606602440 /nfs/dbraw/zinc/60/24/40/606602440.db2.gz GMPXNUZNZJWTCB-ROUUACIJSA-N 0 3 383.500 2.437 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000819743293 606602441 /nfs/dbraw/zinc/60/24/41/606602441.db2.gz GMPXNUZNZJWTCB-ROUUACIJSA-N 0 3 383.500 2.437 20 30 GEEDHN N#CCC[C@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826381701 608555816 /nfs/dbraw/zinc/55/58/16/608555816.db2.gz VPUDVPDTSKWIOX-MJGOQNOKSA-N 0 3 378.436 2.241 20 30 GEEDHN CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825411870 609257450 /nfs/dbraw/zinc/25/74/50/609257450.db2.gz FVHUZCWRJZLYEE-APWZRJJASA-N 0 3 396.495 2.112 20 30 GEEDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(C#N)c1Br ZINC000448955156 650026653 /nfs/dbraw/zinc/02/66/53/650026653.db2.gz XCHOEMTYRCIDQE-UHFFFAOYSA-N 0 3 379.302 2.030 20 30 GEEDHN CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000449865052 650054340 /nfs/dbraw/zinc/05/43/40/650054340.db2.gz SWKRCYVVUPOHNV-CYBMUJFWSA-N 0 3 378.270 2.395 20 30 GEEDHN CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CN2CCC1CC2 ZINC000449865595 650054354 /nfs/dbraw/zinc/05/43/54/650054354.db2.gz VSUCKSSYGBANFJ-INIZCTEOSA-N 0 3 378.270 2.252 20 30 GEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000450108392 650060255 /nfs/dbraw/zinc/06/02/55/650060255.db2.gz VIRCFYQEIWYJCJ-XHDPSFHLSA-N 0 3 378.270 2.298 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000518192436 650602525 /nfs/dbraw/zinc/60/25/25/650602525.db2.gz JPWAUGLMBFMDEI-MRXNPFEDSA-N 0 3 379.302 2.114 20 30 GEEDHN C=C(Br)CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000105196608 643201491 /nfs/dbraw/zinc/20/14/91/643201491.db2.gz HGMJDACIYOWWQX-UHFFFAOYSA-N 0 3 395.345 2.354 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112483684 643363858 /nfs/dbraw/zinc/36/38/58/643363858.db2.gz BIMZRIIIWXMFNP-RYUDHWBXSA-N 0 3 383.242 2.078 20 30 GEEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497899865 650841164 /nfs/dbraw/zinc/84/11/64/650841164.db2.gz QOWDTLFVOVPBFM-LBPRGKRZSA-N 0 3 393.285 2.250 20 30 GEEDHN N#CC(C(=O)COc1ccc(I)cc1)C(=O)N1CCCC1 ZINC000124705379 643689642 /nfs/dbraw/zinc/68/96/42/643689642.db2.gz RRZHASOBPRFURA-ZDUSSCGKSA-N 0 3 398.200 2.001 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000131005154 643858926 /nfs/dbraw/zinc/85/89/26/643858926.db2.gz WTDASNHWNWBJTN-NWDGAFQWSA-N 0 3 392.253 2.035 20 30 GEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047428 646299012 /nfs/dbraw/zinc/29/90/12/646299012.db2.gz DTTLRLINHLVUGD-SJLPKXTDSA-N 0 3 391.265 2.384 20 30 GEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409187 648115162 /nfs/dbraw/zinc/11/51/62/648115162.db2.gz UHRMFNWCZXXBTH-FZMZJTMJSA-N 0 3 386.315 2.281 20 30 GEEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416409190 648115198 /nfs/dbraw/zinc/11/51/98/648115198.db2.gz UHRMFNWCZXXBTH-SMDDNHRTSA-N 0 3 386.315 2.281 20 30 GEEDHN CC(C)N1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419671398 648361799 /nfs/dbraw/zinc/36/17/99/648361799.db2.gz YMDZMJGOIYTXBY-UHFFFAOYSA-N 0 3 393.285 2.202 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419677005 648362577 /nfs/dbraw/zinc/36/25/77/648362577.db2.gz NBSSPLCUMIGNCL-UHFFFAOYSA-N 0 3 391.269 2.026 20 30 GEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000619465576 652059776 /nfs/dbraw/zinc/05/97/76/652059776.db2.gz DKHKEOSBUIYVBY-SNVBAGLBSA-N 0 3 391.324 2.279 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000747968488 652186334 /nfs/dbraw/zinc/18/63/34/652186334.db2.gz KTOIMMLLJKAUSQ-CQSZACIVSA-N 0 3 385.291 2.195 20 30 GEEDHN C=CCN(CC=C)C(=O)CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795029 652371161 /nfs/dbraw/zinc/37/11/61/652371161.db2.gz PZTWPIKXZIIAKK-IBGZPJMESA-N 0 3 393.325 2.459 20 30 GEEDHN CC(C)N(CCS(C)(=O)=O)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000759234066 652566740 /nfs/dbraw/zinc/56/67/40/652566740.db2.gz OJNHWVCACRDVBM-CYBMUJFWSA-N 0 3 379.507 2.228 20 30 GEEDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000590247052 652577372 /nfs/dbraw/zinc/57/73/72/652577372.db2.gz YYLGVYDSGJXALC-CYBMUJFWSA-N 0 3 393.285 2.250 20 30 GEEDHN CN1CCN(CCCCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593409885 652620571 /nfs/dbraw/zinc/62/05/71/652620571.db2.gz FLBXXYWWOOUGIV-UHFFFAOYSA-N 0 3 393.329 2.007 20 30 GEEDHN COC(=O)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594430985 652648303 /nfs/dbraw/zinc/64/83/03/652648303.db2.gz FDRPKXARAMRWGL-ZIAGYGMSSA-N 0 3 382.258 2.191 20 30 GEEDHN COC(=O)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594430983 652648577 /nfs/dbraw/zinc/64/85/77/652648577.db2.gz FDRPKXARAMRWGL-KGLIPLIRSA-N 0 3 382.258 2.191 20 30 GEEDHN N#CCCCC[C@H](N)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000594440784 652650065 /nfs/dbraw/zinc/65/00/65/652650065.db2.gz ZLTKHNPMUDQLJP-HNNXBMFYSA-N 0 3 395.301 2.096 20 30 GEEDHN CN1CCC(NC(=S)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000766523118 652884583 /nfs/dbraw/zinc/88/45/83/652884583.db2.gz UCOWLKGFZNJJTH-UHFFFAOYSA-N 0 3 377.945 2.302 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000836275700 653342130 /nfs/dbraw/zinc/34/21/30/653342130.db2.gz NPRWMDOMMVICFW-MRXNPFEDSA-N 0 3 393.329 2.282 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000836490390 653355963 /nfs/dbraw/zinc/35/59/63/653355963.db2.gz YJIQEBGCRXPFCW-UHFFFAOYSA-N 0 3 380.286 2.308 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000836489401 653356096 /nfs/dbraw/zinc/35/60/96/653356096.db2.gz ZQSWFXZZJAJLHT-KRWDZBQOSA-N 0 3 394.313 2.487 20 30 GEEDHN C#CCOc1cccc(Cl)c1CNC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000778175914 653434025 /nfs/dbraw/zinc/43/40/25/653434025.db2.gz FDRZFAPRYTXBAW-UHFFFAOYSA-N 0 3 382.913 2.398 20 30 GEEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000778179627 653434127 /nfs/dbraw/zinc/43/41/27/653434127.db2.gz XRJXKZHTNQVMBL-KBXCAEBGSA-N 0 3 383.897 2.178 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629187 653438655 /nfs/dbraw/zinc/43/86/55/653438655.db2.gz DBNMSWRSYLENOY-RYUDHWBXSA-N 0 3 375.650 2.249 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629186 653438707 /nfs/dbraw/zinc/43/87/07/653438707.db2.gz DBNMSWRSYLENOY-NWDGAFQWSA-N 0 3 375.650 2.249 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000876785251 653447985 /nfs/dbraw/zinc/44/79/85/653447985.db2.gz RVEJLLFUCDEEHM-DZGCQCFKSA-N 0 3 386.949 2.355 20 30 GEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)COc1ncccc1Br ZINC000838623790 653626458 /nfs/dbraw/zinc/62/64/58/653626458.db2.gz NAXRHKYVDJIEKO-UHFFFAOYSA-N 0 3 397.317 2.256 20 30 GEEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000815083087 653650670 /nfs/dbraw/zinc/65/06/70/653650670.db2.gz OLKUCCLXKNOMDY-UHFFFAOYSA-N 0 3 377.279 2.130 20 30 GEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000815118734 653652889 /nfs/dbraw/zinc/65/28/89/653652889.db2.gz KJODNWNIIHVMPJ-ZDUSSCGKSA-N 0 3 383.286 2.000 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)CC1 ZINC000839812039 653665331 /nfs/dbraw/zinc/66/53/31/653665331.db2.gz KAKKUAYLCKFQLL-UHFFFAOYSA-N 0 3 382.913 2.095 20 30 GEEDHN C#CCNC(=O)CCNCc1cc(Cl)cc(I)c1 ZINC000819380747 653750007 /nfs/dbraw/zinc/75/00/07/653750007.db2.gz SCPXLTWKFAFURK-UHFFFAOYSA-N 0 3 376.625 2.174 20 30 GEEDHN C#C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000820611435 653778035 /nfs/dbraw/zinc/77/80/35/653778035.db2.gz KTPZFQUPURRYOS-SJORKVTESA-N 0 3 394.313 2.269 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883479420 653842398 /nfs/dbraw/zinc/84/23/98/653842398.db2.gz YBKFQNNYGIFRLM-UHFFFAOYSA-N 0 3 384.299 2.227 20 30 GEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000896209058 653868868 /nfs/dbraw/zinc/86/88/68/653868868.db2.gz SKELALCBZWRJAP-MRXNPFEDSA-N 0 3 393.281 2.297 20 30 GEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000896209057 653868996 /nfs/dbraw/zinc/86/89/96/653868996.db2.gz SKELALCBZWRJAP-INIZCTEOSA-N 0 3 393.281 2.297 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)[nH]nc2I)CC1 ZINC000896208291 653869018 /nfs/dbraw/zinc/86/90/18/653869018.db2.gz BSBTXHABMXLDCP-UHFFFAOYSA-N 0 3 388.253 2.093 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCOc3cc(Br)ccc3C1)C2 ZINC000884418388 653876057 /nfs/dbraw/zinc/87/60/57/653876057.db2.gz HVNTUTUBIGTRKY-TXKKKEFDSA-N 0 3 390.281 2.309 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1[C@@H]3Cc4c(cccc4Br)[C@@H]31)C2 ZINC000884450615 653877248 /nfs/dbraw/zinc/87/72/48/653877248.db2.gz NYNOJRWJDDZDKO-UCXNHVOCSA-N 0 3 386.293 2.343 20 30 GEEDHN C#CCN(C(=O)c1c(Br)nc2n1CCCC2)C1CCN(C)CC1 ZINC000886574341 653992222 /nfs/dbraw/zinc/99/22/22/653992222.db2.gz ATFPRCFKNQAEFL-UHFFFAOYSA-N 0 3 379.302 2.152 20 30 GEEDHN C#CCN(C(=O)COc1ccc(C=O)cc1Br)C1CCN(C)CC1 ZINC000886581320 653992647 /nfs/dbraw/zinc/99/26/47/653992647.db2.gz SLELHIQTOMHPPA-UHFFFAOYSA-N 0 3 393.281 2.196 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796791281 654008467 /nfs/dbraw/zinc/00/84/67/654008467.db2.gz FAOZDOPTIXWCPL-LLVKDONJSA-N 0 3 397.229 2.027 20 30 GEEDHN N#C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000900112005 654050671 /nfs/dbraw/zinc/05/06/71/654050671.db2.gz ODMULXPTNQENQD-MRXNPFEDSA-N 0 3 378.270 2.241 20 30 GEEDHN C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@H]1N1CCN(C)CC1 ZINC000888416294 654082285 /nfs/dbraw/zinc/08/22/85/654082285.db2.gz ZQRKSELNAKJLFS-NWDGAFQWSA-N 0 3 382.921 2.158 20 30 GEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1cccc(I)c1 ZINC000871280398 654226769 /nfs/dbraw/zinc/22/67/69/654226769.db2.gz GFBKAMKJDOXGOI-JOYOIKCWSA-N 0 3 386.189 2.171 20 30 GEEDHN CCCNC(=O)CN1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921528919 654278521 /nfs/dbraw/zinc/27/85/21/654278521.db2.gz VURHQBGTJSXEFG-UHFFFAOYSA-N 0 3 393.329 2.401 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905554017 654365453 /nfs/dbraw/zinc/36/54/53/654365453.db2.gz CYOLKKXKBOAWOK-UKRRQHHQSA-N 0 3 376.400 2.422 20 30 GEEDHN N#Cc1ccc(Br)c(CNC[C@H]2C[C@H](c3nnc[nH]3)C[C@H]2O)c1 ZINC000922271289 654380607 /nfs/dbraw/zinc/38/06/07/654380607.db2.gz FFVVFFRPPKPCRY-NJZAAPMLSA-N 0 3 376.258 2.083 20 30 GEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1Br ZINC000931380483 654740232 /nfs/dbraw/zinc/74/02/32/654740232.db2.gz PSBDOOFXXNKLPL-HZPDHXFCSA-N 0 3 393.285 2.384 20 30 GEEDHN N#Cc1nc(NC(=O)NC[C@H]2CCN2C2CCOCC2)ccc1Br ZINC000932158508 654768400 /nfs/dbraw/zinc/76/84/00/654768400.db2.gz JTSSKGAJDADYLW-GFCCVEGCSA-N 0 3 394.273 2.091 20 30 GEEDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1I ZINC000932554826 654781846 /nfs/dbraw/zinc/78/18/46/654781846.db2.gz ZLVSHPYWYGINTD-LLVKDONJSA-N 0 3 384.221 2.379 20 30 GEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436741 654812935 /nfs/dbraw/zinc/81/29/35/654812935.db2.gz HCBLAVCYCGQPBP-KBXCAEBGSA-N 0 3 396.329 2.340 20 30 GEEDHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888752 721428426 /nfs/dbraw/zinc/42/84/26/721428426.db2.gz AQJDRGHEUQKSHT-XMSQKQJNSA-N 0 3 394.523 2.200 20 30 GEEDHN Cc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1CC#N ZINC001164889505 721439006 /nfs/dbraw/zinc/43/90/06/721439006.db2.gz BEPDDTKVIOIEAX-UNMCSNQZSA-N 0 3 383.540 2.222 20 30 GEEDHN CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909759 721564769 /nfs/dbraw/zinc/56/47/69/721564769.db2.gz UWBCPOVVRNYBFD-DOTOQJQBSA-N 0 3 392.438 2.263 20 30 GEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155238790 531668790 /nfs/dbraw/zinc/66/87/90/531668790.db2.gz AZKICERPUXTRMW-NHYWBVRUSA-N 0 3 386.315 2.281 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCNC(C)(C)C1 ZINC000175435006 532103998 /nfs/dbraw/zinc/10/39/98/532103998.db2.gz NUGZBVCOOJWQOC-UHFFFAOYSA-N 0 3 396.285 2.309 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1 ZINC000175963902 532121336 /nfs/dbraw/zinc/12/13/36/532121336.db2.gz CCKAIZLCXUNWFL-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2ccc(I)c(C)n2)CC1 ZINC000176106870 532126246 /nfs/dbraw/zinc/12/62/46/532126246.db2.gz CRRKEVMDPNRPSE-UHFFFAOYSA-N 0 3 383.233 2.278 20 30 GEEDHN CSC[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182866164 532319171 /nfs/dbraw/zinc/31/91/71/532319171.db2.gz YTYMQMMLPNPMRX-HOTGVXAUSA-N 0 3 378.567 2.284 20 30 GEEDHN Cc1c(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)ccc(Br)c1C#N ZINC000425733061 532391078 /nfs/dbraw/zinc/39/10/78/532391078.db2.gz AEVSRFTXOGAPCD-JQWIXIFHSA-N 0 3 393.285 2.167 20 30 GEEDHN Cc1c(NC(=O)C(=O)N(C)CCN2CCCC2)ccc(Br)c1C#N ZINC000425770322 532394363 /nfs/dbraw/zinc/39/43/63/532394363.db2.gz OUONXXMZVHPOGM-UHFFFAOYSA-N 0 3 393.285 2.122 20 30 GEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Br)cc1C#N ZINC000295135987 532407922 /nfs/dbraw/zinc/40/79/22/532407922.db2.gz DANIYAPIBSQLRD-ZDUSSCGKSA-N 0 3 379.302 2.077 20 30 GEEDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000595089450 532544040 /nfs/dbraw/zinc/54/40/40/532544040.db2.gz ILTGSEUERZASPD-ZDUSSCGKSA-N 0 3 393.285 2.248 20 30 GEEDHN CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCN(CC)C1 ZINC000595133202 532544784 /nfs/dbraw/zinc/54/47/84/532544784.db2.gz YHXMLFWQIHQHIV-AWEZNQCLSA-N 0 3 393.285 2.202 20 30 GEEDHN C[C@@H]1CSCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000249076695 532561066 /nfs/dbraw/zinc/56/10/66/532561066.db2.gz RDFUGHVJYZQUJX-JKSUJKDBSA-N 0 3 378.567 2.142 20 30 GEEDHN N#CC1(C[C@@H](O)CNCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000600724576 532680422 /nfs/dbraw/zinc/68/04/22/532680422.db2.gz BHKXTCXKNAHXJQ-MRXNPFEDSA-N 0 3 394.313 2.430 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000286570033 532755402 /nfs/dbraw/zinc/75/54/02/532755402.db2.gz TXWTXYPIANSTGC-UHFFFAOYSA-N 0 3 384.307 2.419 20 30 GEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC1CS(=O)(=O)C1 ZINC000447787869 532758741 /nfs/dbraw/zinc/75/87/41/532758741.db2.gz OTUSVXWTOWMERR-UHFFFAOYSA-N 0 3 384.571 2.019 20 30 GEEDHN CCOc1cc(CNCCn2cnc(C#N)n2)cc(Br)c1OC ZINC000512904189 532778682 /nfs/dbraw/zinc/77/86/82/532778682.db2.gz OFUFUCRYRRBDRN-UHFFFAOYSA-N 0 3 380.246 2.109 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000286857663 532772261 /nfs/dbraw/zinc/77/22/61/532772261.db2.gz ZIMSMJNMCWUFLQ-UHFFFAOYSA-N 0 3 394.313 2.174 20 30 GEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819124 532810237 /nfs/dbraw/zinc/81/02/37/532810237.db2.gz PILXISMQTIJOAG-NHYWBVRUSA-N 0 3 393.285 2.058 20 30 GEEDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287632548 532804208 /nfs/dbraw/zinc/80/42/08/532804208.db2.gz ZPZXDOFOAZGABH-LBPRGKRZSA-N 0 3 393.285 2.107 20 30 GEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000288368650 532825838 /nfs/dbraw/zinc/82/58/38/532825838.db2.gz YYDCUKJHTFMECX-BXUZGUMPSA-N 0 3 386.315 2.281 20 30 GEEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331176661 532835173 /nfs/dbraw/zinc/83/51/73/532835173.db2.gz FPKNXSIHHKMGBD-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)CN1CCCC1 ZINC000416370150 532872743 /nfs/dbraw/zinc/87/27/43/532872743.db2.gz KHASENCPOXFTOD-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)C1 ZINC000291828964 532909250 /nfs/dbraw/zinc/90/92/50/532909250.db2.gz FTOJVWTXCBIZOO-HNNXBMFYSA-N 0 3 384.299 2.037 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000293304756 532925080 /nfs/dbraw/zinc/92/50/80/532925080.db2.gz HRNVDTMKDSUPPT-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000293424945 532926465 /nfs/dbraw/zinc/92/64/65/532926465.db2.gz QGRIADYFDBDZPC-UHFFFAOYSA-N 0 3 376.507 2.190 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000293410491 532926635 /nfs/dbraw/zinc/92/66/35/532926635.db2.gz PBOZUBGDQSSAMS-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000293381494 532925977 /nfs/dbraw/zinc/92/59/77/532925977.db2.gz MYJGCJQIOVYZFA-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN C#CCN(C)CCCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000293985964 532934148 /nfs/dbraw/zinc/93/41/48/532934148.db2.gz NIXKTTDILJDANT-UHFFFAOYSA-N 0 3 376.507 2.071 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821585999 607114396 /nfs/dbraw/zinc/11/43/96/607114396.db2.gz FKTPUDIHUWSISS-UHFFFAOYSA-N 0 3 382.859 2.355 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821585999 607114399 /nfs/dbraw/zinc/11/43/99/607114399.db2.gz FKTPUDIHUWSISS-UHFFFAOYSA-N 0 3 382.859 2.355 20 30 GEEDHN CCOCCC[N@@H+]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H](C)C1 ZINC000825594210 608536213 /nfs/dbraw/zinc/53/62/13/608536213.db2.gz JEKOTVHINREJPO-GFCCVEGCSA-N 0 3 392.895 2.451 20 30 GEEDHN CCOCCC[N@H+]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H](C)C1 ZINC000825594210 608536214 /nfs/dbraw/zinc/53/62/14/608536214.db2.gz JEKOTVHINREJPO-GFCCVEGCSA-N 0 3 392.895 2.451 20 30 GEEDHN CCOCCC[N@@H+]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H](C)C1 ZINC000825594210 608536215 /nfs/dbraw/zinc/53/62/15/608536215.db2.gz JEKOTVHINREJPO-GFCCVEGCSA-N 0 3 392.895 2.451 20 30 GEEDHN CCOCCC[N@H+]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H](C)C1 ZINC000825594210 608536216 /nfs/dbraw/zinc/53/62/16/608536216.db2.gz JEKOTVHINREJPO-GFCCVEGCSA-N 0 3 392.895 2.451 20 30 GEEDHN CN1CC[C@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000450481537 650065801 /nfs/dbraw/zinc/06/58/01/650065801.db2.gz BAZVDTGZCGLXSK-LRDDRELGSA-N 0 3 378.270 2.252 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000455483260 650306221 /nfs/dbraw/zinc/30/62/21/650306221.db2.gz DLQOSQPYDNBQIT-UHFFFAOYSA-N 0 3 385.249 2.457 20 30 GEEDHN C=C(Br)CNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000069117667 643019843 /nfs/dbraw/zinc/01/98/43/643019843.db2.gz HGSIQCAQAZCAAX-UHFFFAOYSA-N 0 3 381.318 2.142 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1 ZINC000124202179 643682569 /nfs/dbraw/zinc/68/25/69/643682569.db2.gz ZXVSGWBMYKSVGJ-AWEZNQCLSA-N 0 3 383.242 2.080 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1 ZINC000124202382 643683195 /nfs/dbraw/zinc/68/31/95/643683195.db2.gz ZXVSGWBMYKSVGJ-CQSZACIVSA-N 0 3 383.242 2.080 20 30 GEEDHN CC(C)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127590788 643780352 /nfs/dbraw/zinc/78/03/52/643780352.db2.gz SHXZQDGKWKOIHY-QGZVFWFLSA-N 0 3 393.329 2.498 20 30 GEEDHN COc1cccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000130672135 643847354 /nfs/dbraw/zinc/84/73/54/643847354.db2.gz RFILMTGPZRXIMO-UHFFFAOYSA-N 0 3 388.902 2.115 20 30 GEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCN(C(=O)NCC)C1 ZINC000152779103 643973125 /nfs/dbraw/zinc/97/31/25/643973125.db2.gz ODKFKQGMHFYRAV-HNNXBMFYSA-N 0 3 380.286 2.355 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1cccc(Br)c1 ZINC000193421091 645271179 /nfs/dbraw/zinc/27/11/79/645271179.db2.gz BTIZVUCPUROCKC-CQSZACIVSA-N 0 3 383.242 2.080 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@H]21 ZINC000247096578 645504614 /nfs/dbraw/zinc/50/46/14/645504614.db2.gz PSYNCPFEKICEIC-XJKSGUPXSA-N 0 3 398.326 2.426 20 30 GEEDHN C=CCN1CCC(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000264499866 645685947 /nfs/dbraw/zinc/68/59/47/645685947.db2.gz QELMZPWSVYVGNF-HNNXBMFYSA-N 0 3 377.432 2.358 20 30 GEEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287516853 646889321 /nfs/dbraw/zinc/88/93/21/646889321.db2.gz RQSSIOXZCDELBC-GFCCVEGCSA-N 0 3 393.285 2.250 20 30 GEEDHN N#Cc1c(Br)cccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000368177628 647752704 /nfs/dbraw/zinc/75/27/04/647752704.db2.gz QPKDYWFBQWKXMP-INIZCTEOSA-N 0 3 377.286 2.239 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419801642 648379596 /nfs/dbraw/zinc/37/95/96/648379596.db2.gz BHNIWUUJPUKAKQ-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000424131002 648614656 /nfs/dbraw/zinc/61/46/56/648614656.db2.gz GAAMINBSQIGJRD-LBPRGKRZSA-N 0 3 376.507 2.268 20 30 GEEDHN CN1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)c2cnccc21 ZINC000550827412 651115364 /nfs/dbraw/zinc/11/53/64/651115364.db2.gz OKCFRKVFGZWNSK-UHFFFAOYSA-N 0 3 393.266 2.361 20 30 GEEDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000555820212 651230921 /nfs/dbraw/zinc/23/09/21/651230921.db2.gz LYAAVMPIBMTEBE-LBPRGKRZSA-N 0 3 393.285 2.107 20 30 GEEDHN N#Cc1ccc(Cn2cc([C@@H](N)C3CCOCC3)nn2)c(Br)c1 ZINC000603244864 651473929 /nfs/dbraw/zinc/47/39/29/651473929.db2.gz WFOMBYLJESKMAG-INIZCTEOSA-N 0 3 376.258 2.387 20 30 GEEDHN Brc1ccc(N=NC2CCN(CCN3CCOCC3)CC2)nc1 ZINC000731558558 651628121 /nfs/dbraw/zinc/62/81/21/651628121.db2.gz YKVIJJIOCXHWJF-UHFFFAOYSA-N 0 3 382.306 2.040 20 30 GEEDHN CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733197802 651693331 /nfs/dbraw/zinc/69/33/31/651693331.db2.gz SHLORTYFHASISQ-OLZOCXBDSA-N 0 3 379.507 2.228 20 30 GEEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000747816761 652179949 /nfs/dbraw/zinc/17/99/49/652179949.db2.gz VIRJXFJSQZGQMX-OAHLLOKOSA-N 0 3 385.291 2.195 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2nc3c(s2)CCCC3)cc1 ZINC000581603203 652418503 /nfs/dbraw/zinc/41/85/03/652418503.db2.gz OLKOJFAIHSOFCW-UHFFFAOYSA-N 0 3 375.519 2.500 20 30 GEEDHN N#Cc1cc(Br)ccc1CN1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000582044126 652432984 /nfs/dbraw/zinc/43/29/84/652432984.db2.gz KUIWWSCIBSWUPE-QGZVFWFLSA-N 0 3 391.313 2.107 20 30 GEEDHN COc1cc(CNC(=O)[C@@H](N)CCCCC#N)cc(Br)c1OC ZINC000594436067 652649102 /nfs/dbraw/zinc/64/91/02/652649102.db2.gz HHOBFHOARKMVQB-ZDUSSCGKSA-N 0 3 384.274 2.494 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000672354771 652835339 /nfs/dbraw/zinc/83/53/39/652835339.db2.gz SQFZAJZXXMXJNL-UHFFFAOYSA-N 0 3 394.313 2.140 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000876558423 653435537 /nfs/dbraw/zinc/43/55/37/653435537.db2.gz MLJHBKJRYFGGRL-XJKSGUPXSA-N 0 3 387.933 2.364 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608493 653437603 /nfs/dbraw/zinc/43/76/03/653437603.db2.gz BEDQTDMZUWMXCY-OCCSQVGLSA-N 0 3 380.794 2.373 20 30 GEEDHN CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@H](O)c1ccccc1Br ZINC000859327458 653441952 /nfs/dbraw/zinc/44/19/52/653441952.db2.gz SDIVKSMSWWOPEG-PBHICJAKSA-N 0 3 397.313 2.486 20 30 GEEDHN CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H](O)c1ccccc1Br ZINC000859327460 653441967 /nfs/dbraw/zinc/44/19/67/653441967.db2.gz SDIVKSMSWWOPEG-WMLDXEAASA-N 0 3 397.313 2.486 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000782054940 653654376 /nfs/dbraw/zinc/65/43/76/653654376.db2.gz BEDAKZQVTZDVLN-QGZVFWFLSA-N 0 3 379.298 2.334 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000815861723 653666902 /nfs/dbraw/zinc/66/69/02/653666902.db2.gz WMHTYUNFCPQKLR-UHFFFAOYSA-N 0 3 380.286 2.021 20 30 GEEDHN C#C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000820611432 653778017 /nfs/dbraw/zinc/77/80/17/653778017.db2.gz KTPZFQUPURRYOS-IAGOWNOFSA-N 0 3 394.313 2.269 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cnc1Br ZINC000820688248 653780515 /nfs/dbraw/zinc/78/05/15/653780515.db2.gz NUYXOFKOPWBKML-UHFFFAOYSA-N 0 3 389.091 2.292 20 30 GEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)Oc1ccc(Br)cc1 ZINC000884156186 653866301 /nfs/dbraw/zinc/86/63/01/653866301.db2.gz VNRMKQQFZXLORB-CZJPOVKDSA-N 0 3 392.297 2.472 20 30 GEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)Oc1cccc(Br)c1 ZINC000884155785 653866374 /nfs/dbraw/zinc/86/63/74/653866374.db2.gz KWIHOAVGYHVZIE-VUULHSHRSA-N 0 3 392.297 2.472 20 30 GEEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000848306283 653969506 /nfs/dbraw/zinc/96/95/06/653969506.db2.gz CWBGRSHXOQUVBA-QWHCGFSZSA-N 0 3 387.958 2.116 20 30 GEEDHN C=CCS(=O)(=O)CCN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848543516 653986716 /nfs/dbraw/zinc/98/67/16/653986716.db2.gz GWJHNGULPPAWRV-SNVBAGLBSA-N 0 3 378.288 2.415 20 30 GEEDHN O=C(N1C[C@@H]2CCN(CCOCC(F)(F)C(F)F)C[C@H]2C1)C(F)(F)F ZINC000831576906 654192217 /nfs/dbraw/zinc/19/22/17/654192217.db2.gz LNGPVLHKKVNHQV-UWVGGRQHSA-N 0 3 380.304 2.246 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000890631905 654234905 /nfs/dbraw/zinc/23/49/05/654234905.db2.gz JEAQCEIVQXACSI-GOSISDBHSA-N 0 3 379.298 2.118 20 30 GEEDHN CS(=O)(=O)N1CCC(CNCc2cc(C#N)ccc2Br)CC1 ZINC000921630002 654295603 /nfs/dbraw/zinc/29/56/03/654295603.db2.gz BWYNEBUWODOOSD-UHFFFAOYSA-N 0 3 386.315 2.082 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000855106030 654396600 /nfs/dbraw/zinc/39/66/00/654396600.db2.gz IDPZTGCSXYRHBJ-GOSISDBHSA-N 0 3 379.298 2.118 20 30 GEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438353 654813352 /nfs/dbraw/zinc/81/33/52/654813352.db2.gz VQUXNZJAZYRYQI-ZWKOTPCHSA-N 0 3 396.329 2.387 20 30 GEEDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)c(Cl)cc1C#N)CC2 ZINC001164684357 719720387 /nfs/dbraw/zinc/72/03/87/719720387.db2.gz GPJQERNDXTUACW-UHFFFAOYSA-N 0 3 382.295 2.441 20 30 GEEDHN N#CC1(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)CCC1 ZINC001164736717 720695518 /nfs/dbraw/zinc/69/55/18/720695518.db2.gz APPFHXOUZHHNPO-ZWKOTPCHSA-N 0 3 376.464 2.159 20 30 GEEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909224 721563728 /nfs/dbraw/zinc/56/37/28/721563728.db2.gz TUWHTAIBYFEVHQ-FUHWJXTLSA-N 0 3 396.422 2.221 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000121076432 532011099 /nfs/dbraw/zinc/01/10/99/532011099.db2.gz RQUBQZWQZDHKLJ-UHFFFAOYSA-N 0 3 380.286 2.463 20 30 GEEDHN C=CCOc1c(Cl)cc(CNCCCN(C)S(C)(=O)=O)cc1OC ZINC000623356818 532387688 /nfs/dbraw/zinc/38/76/88/532387688.db2.gz JFRSEJBVSJHOJM-UHFFFAOYSA-N 0 3 376.906 2.285 20 30 GEEDHN C=CCn1cc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)nn1 ZINC000648286540 532392380 /nfs/dbraw/zinc/39/23/80/532392380.db2.gz QLXHLKWWNIZQOL-UHFFFAOYSA-N 0 3 392.301 2.431 20 30 GEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294955943 532392823 /nfs/dbraw/zinc/39/28/23/532392823.db2.gz YTPUIDABLJTDKM-ABAIWWIYSA-N 0 3 393.285 2.058 20 30 GEEDHN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC[C@H](O)CN(C)CCC#N ZINC000517230556 532409308 /nfs/dbraw/zinc/40/93/08/532409308.db2.gz GLLQCHIJDBHYGK-COXVUDFISA-N 0 3 384.318 2.321 20 30 GEEDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295630324 532464702 /nfs/dbraw/zinc/46/47/02/532464702.db2.gz FWJLBMMIVJUNOR-JTQLQIEISA-N 0 3 390.278 2.032 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000283596029 532547231 /nfs/dbraw/zinc/54/72/31/532547231.db2.gz QFLDTMQUDHZTPD-UHFFFAOYSA-N 0 3 394.313 2.222 20 30 GEEDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597697724 532624260 /nfs/dbraw/zinc/62/42/60/532624260.db2.gz ZKWWVRCWISADPT-SJORKVTESA-N 0 3 392.297 2.185 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000286399814 532744035 /nfs/dbraw/zinc/74/40/35/532744035.db2.gz DSOZRRKIOVTZNK-UHFFFAOYSA-N 0 3 394.313 2.174 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000286394383 532744121 /nfs/dbraw/zinc/74/41/21/532744121.db2.gz DLAVDYHEQSPNFI-UHFFFAOYSA-N 0 3 394.313 2.174 20 30 GEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819121 532810581 /nfs/dbraw/zinc/81/05/81/532810581.db2.gz PILXISMQTIJOAG-ABAIWWIYSA-N 0 3 393.285 2.058 20 30 GEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287819123 532810590 /nfs/dbraw/zinc/81/05/90/532810590.db2.gz PILXISMQTIJOAG-IAQYHMDHSA-N 0 3 393.285 2.058 20 30 GEEDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)C1 ZINC000292909333 532919593 /nfs/dbraw/zinc/91/95/93/532919593.db2.gz WTECFZIBPPHHQT-MRXNPFEDSA-N 0 3 398.326 2.427 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)c(Cl)c1 ZINC000367682832 532926576 /nfs/dbraw/zinc/92/65/76/532926576.db2.gz BXUVECXEKRRJHL-GOEBONIOSA-N 0 3 379.844 2.466 20 30 GEEDHN CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000370585990 532944306 /nfs/dbraw/zinc/94/43/06/532944306.db2.gz ZIYMQMNKNGGXTL-OAHLLOKOSA-N 0 3 384.571 2.276 20 30 GEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821584391 606182017 /nfs/dbraw/zinc/18/20/17/606182017.db2.gz BIWWVDLEGMBTFP-UHFFFAOYSA-N 0 3 387.492 2.122 20 30 GEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821584391 606182018 /nfs/dbraw/zinc/18/20/18/606182018.db2.gz BIWWVDLEGMBTFP-UHFFFAOYSA-N 0 3 387.492 2.122 20 30 GEEDHN CCN1CCN([C@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448973857 650027870 /nfs/dbraw/zinc/02/78/70/650027870.db2.gz GMDBKAFWNAAADI-CYBMUJFWSA-N 0 3 379.302 2.077 20 30 GEEDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448973858 650027898 /nfs/dbraw/zinc/02/78/98/650027898.db2.gz GMDBKAFWNAAADI-ZDUSSCGKSA-N 0 3 379.302 2.077 20 30 GEEDHN CS[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1N(C)C ZINC000450266725 650063357 /nfs/dbraw/zinc/06/33/57/650063357.db2.gz STRBNXXGBMMATM-HIFRSBDPSA-N 0 3 398.326 2.204 20 30 GEEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000129438472 643822479 /nfs/dbraw/zinc/82/24/79/643822479.db2.gz CWDMESITOXVIBM-LSDHHAIUSA-N 0 3 392.253 2.004 20 30 GEEDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000159031065 644173212 /nfs/dbraw/zinc/17/32/12/644173212.db2.gz CAGCMNDIGORNIT-CYBMUJFWSA-N 0 3 379.507 2.416 20 30 GEEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246131949 645477471 /nfs/dbraw/zinc/47/74/71/645477471.db2.gz AZKICERPUXTRMW-XHDPSFHLSA-N 0 3 386.315 2.281 20 30 GEEDHN N#Cc1cccc(NC(=O)C(=O)NCCN2CCCCCC2)c1Br ZINC000419656426 648360136 /nfs/dbraw/zinc/36/01/36/648360136.db2.gz ULAWPOAAWUXLIT-UHFFFAOYSA-N 0 3 393.285 2.251 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](N)CCCC#N ZINC000424082145 648611392 /nfs/dbraw/zinc/61/13/92/648611392.db2.gz VXOCCBPAINGWNO-CYBMUJFWSA-N 0 3 381.274 2.176 20 30 GEEDHN Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](N)CCCC#N ZINC000424114949 648614145 /nfs/dbraw/zinc/61/41/45/648614145.db2.gz SSMNPEJCDDPQRO-ZDUSSCGKSA-N 0 3 381.274 2.224 20 30 GEEDHN N#CCCC[C@H](N)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000424189052 648615972 /nfs/dbraw/zinc/61/59/72/648615972.db2.gz MPWNCLBVXARETO-LBPRGKRZSA-N 0 3 378.230 2.136 20 30 GEEDHN N#Cc1ccc(Br)c(Cn2cc([C@@H](N)C3CCOCC3)nn2)c1 ZINC000603240857 651473615 /nfs/dbraw/zinc/47/36/15/651473615.db2.gz FQXZEYVJRWHCEF-INIZCTEOSA-N 0 3 376.258 2.387 20 30 GEEDHN CCN1CCN(CCC(=O)N[C@H](C#N)c2ccccc2Br)CC1 ZINC000610429139 651661175 /nfs/dbraw/zinc/66/11/75/651661175.db2.gz WHVWKSBXDQTVGZ-MRXNPFEDSA-N 0 3 379.302 2.158 20 30 GEEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCCNC2=O)CC1 ZINC000574044796 651997081 /nfs/dbraw/zinc/99/70/81/651997081.db2.gz FHGZTBDMHLNDCE-NVXWUHKLSA-N 0 3 391.313 2.158 20 30 GEEDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588633788 652553485 /nfs/dbraw/zinc/55/34/85/652553485.db2.gz OYQQKHPEDQZZRV-CYBMUJFWSA-N 0 3 393.285 2.250 20 30 GEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593450509 652621542 /nfs/dbraw/zinc/62/15/42/652621542.db2.gz NFWYLRPREKHPED-KRWDZBQOSA-N 0 3 394.313 2.432 20 30 GEEDHN COCCN1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593453331 652621586 /nfs/dbraw/zinc/62/15/86/652621586.db2.gz VFHHWUDTYQYIND-INIZCTEOSA-N 0 3 380.286 2.090 20 30 GEEDHN COC(=O)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594430982 652648394 /nfs/dbraw/zinc/64/83/94/652648394.db2.gz FDRPKXARAMRWGL-KBPBESRZSA-N 0 3 382.258 2.191 20 30 GEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000598723648 652831640 /nfs/dbraw/zinc/83/16/40/652831640.db2.gz JFIBQMWWWOUKDS-LSDHHAIUSA-N 0 3 380.286 2.445 20 30 GEEDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000601421240 653093748 /nfs/dbraw/zinc/09/37/48/653093748.db2.gz IMKICWYWTMBLKP-NOZJJQNGSA-N 0 3 390.278 2.173 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602547487 653190078 /nfs/dbraw/zinc/19/00/78/653190078.db2.gz ZDFNFSZGYFBLNR-CABCVRRESA-N 0 3 393.285 2.082 20 30 GEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000836341807 653345591 /nfs/dbraw/zinc/34/55/91/653345591.db2.gz UHLUGYCDAAOUJN-CQSZACIVSA-N 0 3 382.302 2.471 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000875621927 653380136 /nfs/dbraw/zinc/38/01/36/653380136.db2.gz DGLRMJUNQDVTBJ-IAGOWNOFSA-N 0 3 394.313 2.222 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000815861041 653666886 /nfs/dbraw/zinc/66/68/86/653666886.db2.gz NTDTUHRQSUEJPX-UHFFFAOYSA-N 0 3 386.279 2.402 20 30 GEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ncc(C#N)cc1Br ZINC000881901758 653748408 /nfs/dbraw/zinc/74/84/08/653748408.db2.gz HRGXYLLQQQFWBM-AWEZNQCLSA-N 0 3 380.290 2.070 20 30 GEEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)n1cc(Br)cn1 ZINC000842694683 653763232 /nfs/dbraw/zinc/76/32/32/653763232.db2.gz YIOKEMZETIVUJG-CMPLNLGQSA-N 0 3 376.214 2.339 20 30 GEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)n1cc(Br)cn1 ZINC000842694695 653763272 /nfs/dbraw/zinc/76/32/72/653763272.db2.gz YIOKEMZETIVUJG-PWSUYJOCSA-N 0 3 376.214 2.339 20 30 GEEDHN N#Cc1ccc(CN2CCCN(CCn3cnc(Br)n3)CC2)cc1 ZINC000821336614 653795200 /nfs/dbraw/zinc/79/52/00/653795200.db2.gz FKIFGRSFGDYHBD-UHFFFAOYSA-N 0 3 389.301 2.120 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335666 653873019 /nfs/dbraw/zinc/87/30/19/653873019.db2.gz ZPXNPCOURYIJDE-CBJWCSDNSA-N 0 3 394.244 2.277 20 30 GEEDHN C#CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000886574802 653992068 /nfs/dbraw/zinc/99/20/68/653992068.db2.gz UMQOYCUUKKYTIR-UHFFFAOYSA-N 0 3 394.269 2.456 20 30 GEEDHN C#CCN(C(=O)c1nc(C2CC2)ncc1Br)C1CCN(C)CC1 ZINC000886571252 653992274 /nfs/dbraw/zinc/99/22/74/653992274.db2.gz ONNWPHFFWRATCC-UHFFFAOYSA-N 0 3 377.286 2.286 20 30 GEEDHN C#CCN(C(=O)c1cn2ccc(Br)cc2n1)C1CCN(C)CC1 ZINC000886576190 653992428 /nfs/dbraw/zinc/99/24/28/653992428.db2.gz ZQMBHWHMNJPZDQ-UHFFFAOYSA-N 0 3 375.270 2.266 20 30 GEEDHN C#CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCN(C)CC1 ZINC000886579731 653992545 /nfs/dbraw/zinc/99/25/45/653992545.db2.gz GQCIEPSQRLLSIO-UHFFFAOYSA-N 0 3 394.269 2.456 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000917092023 654113266 /nfs/dbraw/zinc/11/32/66/654113266.db2.gz HKGOPXJIZKATBP-UHFFFAOYSA-N 0 3 382.306 2.421 20 30 GEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892496233 654348263 /nfs/dbraw/zinc/34/82/63/654348263.db2.gz KQSVURDLKFGHHJ-SNVBAGLBSA-N 0 3 391.225 2.081 20 30 GEEDHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922106770 654367873 /nfs/dbraw/zinc/36/78/73/654367873.db2.gz TULSKMNUAIMPGU-SWLSCSKDSA-N 0 3 386.315 2.128 20 30 GEEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906947458 654491438 /nfs/dbraw/zinc/49/14/38/654491438.db2.gz LNUZYDXWKDWIIV-GFCCVEGCSA-N 0 3 386.315 2.283 20 30 GEEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906947461 654491519 /nfs/dbraw/zinc/49/15/19/654491519.db2.gz LNUZYDXWKDWIIV-LBPRGKRZSA-N 0 3 386.315 2.283 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@H]21 ZINC000907052875 654504159 /nfs/dbraw/zinc/50/41/59/654504159.db2.gz HYRQBWSQQKUWMN-BLLLJJGKSA-N 0 3 398.326 2.426 20 30 GEEDHN O=C(NCCN[C@H]1CCCc2ncc(Br)cc21)C1N=CC=CC1=O ZINC000925407907 654543987 /nfs/dbraw/zinc/54/39/87/654543987.db2.gz HHKXBGAWVGUQSF-WPCFGXOUSA-N 0 3 391.269 2.338 20 30 GEEDHN C#CCC1(NCC(=O)NCC(=O)Nc2ccccc2Br)CCC1 ZINC000933299786 654807156 /nfs/dbraw/zinc/80/71/56/654807156.db2.gz KCOMJCXPQXMDGA-UHFFFAOYSA-N 0 3 378.270 2.039 20 30 GEEDHN C[Si](C)(C)C#Cc1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738052 720728506 /nfs/dbraw/zinc/72/85/06/720728506.db2.gz DONVZIGLKDOLMR-MOPGFXCFSA-N 0 3 393.567 2.442 20 30 GEEDHN N#Cc1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164866036 721061102 /nfs/dbraw/zinc/06/11/02/721061102.db2.gz BXKFRCQTPDOGHL-MOPGFXCFSA-N 0 3 386.459 2.376 20 30 GEEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCC2 ZINC001164877653 721144405 /nfs/dbraw/zinc/14/44/05/721144405.db2.gz PPCMELRBBKLISL-PMACEKPBSA-N 0 3 375.476 2.317 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000155123511 531657427 /nfs/dbraw/zinc/65/74/27/531657427.db2.gz KALMHGJNNKZAOP-LLVKDONJSA-N 0 3 384.299 2.083 20 30 GEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000122552973 532073831 /nfs/dbraw/zinc/07/38/31/532073831.db2.gz VQYBLVTYXGUJPC-LBPRGKRZSA-N 0 3 380.491 2.424 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191809301 532367929 /nfs/dbraw/zinc/36/79/29/532367929.db2.gz DWABMPMAMUGAQR-KRWDZBQOSA-N 0 3 391.313 2.059 20 30 GEEDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295019688 532397305 /nfs/dbraw/zinc/39/73/05/532397305.db2.gz ZAHPYNBWDRUIPG-CQSZACIVSA-N 0 3 393.329 2.324 20 30 GEEDHN N#Cc1ccc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 ZINC000373796975 532471060 /nfs/dbraw/zinc/47/10/60/532471060.db2.gz YLYOVKWEOADUKJ-AWEZNQCLSA-N 0 3 398.326 2.066 20 30 GEEDHN CCCN1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000598342199 532644593 /nfs/dbraw/zinc/64/45/93/532644593.db2.gz KEQUTDZFOGZLCP-MRXNPFEDSA-N 0 3 391.313 2.357 20 30 GEEDHN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C(=O)[N-][C@H](C[NH3+])C(F)(F)F ZINC000633008147 532656395 /nfs/dbraw/zinc/65/63/95/532656395.db2.gz DVIPVHIWVYPYRX-SECBINFHSA-N 0 3 375.244 2.097 20 30 GEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000500679359 532732499 /nfs/dbraw/zinc/73/24/99/532732499.db2.gz QSBPSCMWDJAZKS-RISCZKNCSA-N 0 3 393.285 2.200 20 30 GEEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330674007 532825044 /nfs/dbraw/zinc/82/50/44/532825044.db2.gz PWPGPHWUZXLPMF-LBPRGKRZSA-N 0 3 386.315 2.426 20 30 GEEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330674006 532825131 /nfs/dbraw/zinc/82/51/31/532825131.db2.gz PWPGPHWUZXLPMF-GFCCVEGCSA-N 0 3 386.315 2.426 20 30 GEEDHN CCCN1CCC(NS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000330673554 532825346 /nfs/dbraw/zinc/82/53/46/532825346.db2.gz PKPNEGKVFBLFET-UHFFFAOYSA-N 0 3 386.315 2.473 20 30 GEEDHN CN(CCn1cc(Br)cn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000289066171 532846223 /nfs/dbraw/zinc/84/62/23/532846223.db2.gz GOZZHCNKPGBLFQ-OAHLLOKOSA-N 0 3 386.253 2.358 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000291198930 532897781 /nfs/dbraw/zinc/89/77/81/532897781.db2.gz AFYMLEBNESDDOX-UHFFFAOYSA-N 0 3 376.404 2.257 20 30 GEEDHN N#CCCOCCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000292757015 532918235 /nfs/dbraw/zinc/91/82/35/532918235.db2.gz IPARGPCJHBLEFT-CYBMUJFWSA-N 0 3 381.274 2.425 20 30 GEEDHN C=CCN1CCC(Nc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000292955961 532920292 /nfs/dbraw/zinc/92/02/92/532920292.db2.gz CIKGPVPXHZGHMA-UHFFFAOYSA-N 0 3 390.285 2.452 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000293475908 532927479 /nfs/dbraw/zinc/92/74/79/532927479.db2.gz VESXGDCYQIYFBR-UHFFFAOYSA-N 0 3 386.677 2.112 20 30 GEEDHN C=C(C)C[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000735397749 598361117 /nfs/dbraw/zinc/36/11/17/598361117.db2.gz DCQXVJKFOLGPTN-LJQANCHMSA-N 0 3 398.511 2.427 20 30 GEEDHN C=C(C)C[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000735397749 598361118 /nfs/dbraw/zinc/36/11/18/598361118.db2.gz DCQXVJKFOLGPTN-LJQANCHMSA-N 0 3 398.511 2.427 20 30 GEEDHN N#Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC000822825774 607479383 /nfs/dbraw/zinc/47/93/83/607479383.db2.gz OKRJEBUGBMXFMH-UHFFFAOYSA-N 0 3 378.415 2.031 20 30 GEEDHN C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CN1C1CC1 ZINC000450074301 650059663 /nfs/dbraw/zinc/05/96/63/650059663.db2.gz KXBKXQMTEBBTAP-VXGBXAGGSA-N 0 3 378.270 2.441 20 30 GEEDHN N#Cc1c(Br)cccc1N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000450893912 650074392 /nfs/dbraw/zinc/07/43/92/650074392.db2.gz SSXZPNRIWWHHRU-CYBMUJFWSA-N 0 3 377.286 2.111 20 30 GEEDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451174293 650093225 /nfs/dbraw/zinc/09/32/25/650093225.db2.gz WITGPDVHZDGKGJ-JTQLQIEISA-N 0 3 392.294 2.468 20 30 GEEDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451174293 650093228 /nfs/dbraw/zinc/09/32/28/650093228.db2.gz WITGPDVHZDGKGJ-JTQLQIEISA-N 0 3 392.294 2.468 20 30 GEEDHN CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451496051 650120631 /nfs/dbraw/zinc/12/06/31/650120631.db2.gz LQGHDQQSKYWXNN-SNVBAGLBSA-N 0 3 392.294 2.468 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000068125401 642988110 /nfs/dbraw/zinc/98/81/10/642988110.db2.gz MQDGNMKPEGAERB-UHFFFAOYSA-N 0 3 379.254 2.139 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000125009628 643697418 /nfs/dbraw/zinc/69/74/18/643697418.db2.gz OZEFAHGLVIWMCK-FZMZJTMJSA-N 0 3 383.242 2.078 20 30 GEEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000129438272 643822398 /nfs/dbraw/zinc/82/23/98/643822398.db2.gz CWDMESITOXVIBM-GJZGRUSLSA-N 0 3 392.253 2.004 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)CCCOc1cccc(Br)c1 ZINC000193421080 645271516 /nfs/dbraw/zinc/27/15/16/645271516.db2.gz BTIZVUCPUROCKC-AWEZNQCLSA-N 0 3 383.242 2.080 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCCN1C ZINC000194700670 645343325 /nfs/dbraw/zinc/34/33/25/645343325.db2.gz NXGBZWPPQBMTQE-ZDUSSCGKSA-N 0 3 396.285 2.309 20 30 GEEDHN C#CCN1CCC(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277248563 646393654 /nfs/dbraw/zinc/39/36/54/646393654.db2.gz DMWICWBOLBQOSA-INIZCTEOSA-N 0 3 393.325 2.062 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000278611810 646530454 /nfs/dbraw/zinc/53/04/54/646530454.db2.gz BPSYBBWBIKRMLZ-BBRMVZONSA-N 0 3 398.326 2.426 20 30 GEEDHN C=CCCOCCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281253691 646756286 /nfs/dbraw/zinc/75/62/86/646756286.db2.gz XLJYKGFLRCTKQB-NSHDSACASA-N 0 3 377.304 2.340 20 30 GEEDHN CC1CCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419635926 648359096 /nfs/dbraw/zinc/35/90/96/648359096.db2.gz DOVWNPBLESZUEY-UHFFFAOYSA-N 0 3 393.285 2.107 20 30 GEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420030638 648397373 /nfs/dbraw/zinc/39/73/73/648397373.db2.gz GOYHGDIZERTVLD-WCQYABFASA-N 0 3 385.917 2.145 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000424088308 648611746 /nfs/dbraw/zinc/61/17/46/648611746.db2.gz GTMDYJIIENQERF-OAHLLOKOSA-N 0 3 383.279 2.299 20 30 GEEDHN COC(=O)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Br)cc1 ZINC000424088469 648611841 /nfs/dbraw/zinc/61/18/41/648611841.db2.gz JGOZJPHUBZVRCP-UONOGXRCSA-N 0 3 382.258 2.191 20 30 GEEDHN C=CCOc1ccc(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl ZINC000554726316 651211688 /nfs/dbraw/zinc/21/16/88/651211688.db2.gz HYAUUYLNUUCFSH-OAHLLOKOSA-N 0 3 387.933 2.265 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000555134611 651219046 /nfs/dbraw/zinc/21/90/46/651219046.db2.gz VBECZEYWPFFWFC-INIZCTEOSA-N 0 3 377.286 2.064 20 30 GEEDHN CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)c2cnccc21 ZINC000555947797 651234191 /nfs/dbraw/zinc/23/41/91/651234191.db2.gz BMFPLWCUQVZJRR-UHFFFAOYSA-N 0 3 393.266 2.361 20 30 GEEDHN Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000556914070 651257082 /nfs/dbraw/zinc/25/70/82/651257082.db2.gz YHJDFHNSYADTRZ-CHWSQXEVSA-N 0 3 386.315 2.318 20 30 GEEDHN N#Cc1c(Br)cccc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000570267418 651756563 /nfs/dbraw/zinc/75/65/63/651756563.db2.gz HXXQBPTULRKZBO-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN C=CCOc1c(Cl)cc(CN[C@H]2CCCN(S(C)(=O)=O)C2)cc1OC ZINC000623381673 652233574 /nfs/dbraw/zinc/23/35/74/652233574.db2.gz AMIJWUGDPBGANN-AWEZNQCLSA-N 0 3 388.917 2.427 20 30 GEEDHN N#CC1(C[C@@H](O)CN[C@H](CO)c2cccc(Br)c2)CCOCC1 ZINC000599357059 652863661 /nfs/dbraw/zinc/86/36/61/652863661.db2.gz KWABOAWMPPSWEL-HZPDHXFCSA-N 0 3 383.286 2.143 20 30 GEEDHN C=C(Br)CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805196485 653103946 /nfs/dbraw/zinc/10/39/46/653103946.db2.gz XNSNNBNJCHDWMY-GOSISDBHSA-N 0 3 394.313 2.182 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876608492 653437522 /nfs/dbraw/zinc/43/75/22/653437522.db2.gz BEDQTDMZUWMXCY-JSGCOSHPSA-N 0 3 380.794 2.373 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000876609386 653437586 /nfs/dbraw/zinc/43/75/86/653437586.db2.gz LZTIXOOPIMIVPZ-DGCLKSJQSA-N 0 3 380.794 2.373 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000876629188 653438699 /nfs/dbraw/zinc/43/86/99/653438699.db2.gz DBNMSWRSYLENOY-VXGBXAGGSA-N 0 3 375.650 2.249 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000876635353 653439483 /nfs/dbraw/zinc/43/94/83/653439483.db2.gz VNDLLUFNRBKVLB-ZDUSSCGKSA-N 0 3 388.693 2.155 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000876784225 653448007 /nfs/dbraw/zinc/44/80/07/653448007.db2.gz BDNLYUXWAZXBRL-ZFWWWQNUSA-N 0 3 386.949 2.355 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031389 653461967 /nfs/dbraw/zinc/46/19/67/653461967.db2.gz VUBVQIVZMSLKRX-OLZOCXBDSA-N 0 3 386.677 2.141 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031386 653462052 /nfs/dbraw/zinc/46/20/52/653462052.db2.gz VUBVQIVZMSLKRX-CHWSQXEVSA-N 0 3 386.677 2.141 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000815861579 653667009 /nfs/dbraw/zinc/66/70/09/653667009.db2.gz ORJXKACNTQNFIC-UHFFFAOYSA-N 0 3 380.286 2.076 20 30 GEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000818595636 653734366 /nfs/dbraw/zinc/73/43/66/653734366.db2.gz GQSJYPDXHBVLON-CQSZACIVSA-N 0 3 382.291 2.418 20 30 GEEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000842222015 653749003 /nfs/dbraw/zinc/74/90/03/653749003.db2.gz DXYKGWPBPXWEKJ-GFCCVEGCSA-N 0 3 378.479 2.334 20 30 GEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)n1cc(Br)cn1 ZINC000842694696 653763289 /nfs/dbraw/zinc/76/32/89/653763289.db2.gz YIOKEMZETIVUJG-ZYHUDNBSSA-N 0 3 376.214 2.339 20 30 GEEDHN C#C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000820611434 653778100 /nfs/dbraw/zinc/77/81/00/653778100.db2.gz KTPZFQUPURRYOS-IRXDYDNUSA-N 0 3 394.313 2.269 20 30 GEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H]1N(C)C ZINC000883099201 653826771 /nfs/dbraw/zinc/82/67/71/653826771.db2.gz MOYPVAPHTFFWTH-NWDGAFQWSA-N 0 3 384.303 2.225 20 30 GEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1COc3cc(F)c(Br)cc31)C2 ZINC000884335667 653873121 /nfs/dbraw/zinc/87/31/21/653873121.db2.gz ZPXNPCOURYIJDE-OMXMSBTASA-N 0 3 394.244 2.277 20 30 GEEDHN C#CCN(C(=O)c1cc(Br)c(C)nc1OC)C1CCN(C)CC1 ZINC000886577508 653992561 /nfs/dbraw/zinc/99/25/61/653992561.db2.gz KZFOZYAARUZZAL-UHFFFAOYSA-N 0 3 380.286 2.331 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000828033830 654018608 /nfs/dbraw/zinc/01/86/08/654018608.db2.gz RXAGHYIGPQWILS-CQSZACIVSA-N 0 3 377.282 2.214 20 30 GEEDHN COC(=O)[C@@H]1CSCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000887075365 654019627 /nfs/dbraw/zinc/01/96/27/654019627.db2.gz CVEGCFHNNHMXAG-YPMHNXCESA-N 0 3 375.475 2.063 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246075 654319400 /nfs/dbraw/zinc/31/94/00/654319400.db2.gz ADUJDTKKALXBFJ-QGZVFWFLSA-N 0 3 378.881 2.179 20 30 GEEDHN N#Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCCC2)cc1Br ZINC000835057687 654360254 /nfs/dbraw/zinc/36/02/54/654360254.db2.gz FFRLELLNCKDZMS-CYBMUJFWSA-N 0 3 376.210 2.031 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000873733920 654456196 /nfs/dbraw/zinc/45/61/96/654456196.db2.gz DZUWFNXPCVBBRY-UHFFFAOYSA-N 0 3 396.285 2.163 20 30 GEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906979813 654495454 /nfs/dbraw/zinc/49/54/54/654495454.db2.gz CBZBQDVDDPVXCV-ABAIWWIYSA-N 0 3 386.315 2.281 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928459205 654648432 /nfs/dbraw/zinc/64/84/32/654648432.db2.gz VICYMPSAIPSNJW-RISCZKNCSA-N 0 3 396.285 2.307 20 30 GEEDHN C[C@@](C#N)(NC(=O)CN[C@](C)(CO)Cc1ccc(Br)cc1)C1CC1 ZINC000933437566 654813214 /nfs/dbraw/zinc/81/32/14/654813214.db2.gz PFUNFMDVFDEBPR-ROUUACIJSA-N 0 3 394.313 2.141 20 30 GEEDHN N#CC1(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)CCC1 ZINC001164736713 720696456 /nfs/dbraw/zinc/69/64/56/720696456.db2.gz APPFHXOUZHHNPO-QZTJIDSGSA-N 0 3 376.464 2.159 20 30 GEEDHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4[nH]ccc5ncc(C#N)c4-5)C3)O2)CC1 ZINC001164888751 721428308 /nfs/dbraw/zinc/42/83/08/721428308.db2.gz AQJDRGHEUQKSHT-PGRDOPGGSA-N 0 3 394.523 2.200 20 30 GEEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909227 721563894 /nfs/dbraw/zinc/56/38/94/721563894.db2.gz TUWHTAIBYFEVHQ-SJLPKXTDSA-N 0 3 396.422 2.221 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000154854648 531637437 /nfs/dbraw/zinc/63/74/37/531637437.db2.gz ZJXOCUVENUGDDA-UHFFFAOYSA-N 0 3 394.313 2.336 20 30 GEEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000120246337 531977831 /nfs/dbraw/zinc/97/78/31/531977831.db2.gz OPTOVDYOQYXONK-MRXNPFEDSA-N 0 3 377.286 2.064 20 30 GEEDHN CCN1CCN(CCCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294482652 532361956 /nfs/dbraw/zinc/36/19/56/532361956.db2.gz MUWSVRNBZVRGNS-UHFFFAOYSA-N 0 3 379.302 2.078 20 30 GEEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000590666688 532381048 /nfs/dbraw/zinc/38/10/48/532381048.db2.gz MYTHSVZFMCAOFZ-CYBMUJFWSA-N 0 3 378.270 2.300 20 30 GEEDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)C1 ZINC000590669013 532381306 /nfs/dbraw/zinc/38/13/06/532381306.db2.gz QFBXDXOTTIFLHY-INIZCTEOSA-N 0 3 391.313 2.173 20 30 GEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278886635 532387918 /nfs/dbraw/zinc/38/79/18/532387918.db2.gz SXSNQPUWMAGMBJ-ABAIWWIYSA-N 0 3 386.315 2.281 20 30 GEEDHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000562140494 532458078 /nfs/dbraw/zinc/45/80/78/532458078.db2.gz NKRFHXHDUXDDLH-NSHDSACASA-N 0 3 381.274 2.104 20 30 GEEDHN COCCN1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593453333 532482914 /nfs/dbraw/zinc/48/29/14/532482914.db2.gz VFHHWUDTYQYIND-MRXNPFEDSA-N 0 3 380.286 2.090 20 30 GEEDHN Cn1cc(Br)c(=O)c(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471093793 532541832 /nfs/dbraw/zinc/54/18/32/532541832.db2.gz ZGDGWRHIMZOZSR-CYBMUJFWSA-N 0 3 385.221 2.340 20 30 GEEDHN CC(C)N1CCN([C@H]2CCN(c3ncc(Br)cc3C#N)C2)CC1 ZINC000567214401 532644824 /nfs/dbraw/zinc/64/48/24/532644824.db2.gz LOYLSBSNLDWFOH-INIZCTEOSA-N 0 3 378.318 2.320 20 30 GEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(F)ccc(Br)c1F ZINC000507696827 532757925 /nfs/dbraw/zinc/75/79/25/532757925.db2.gz GYGXBIAFOUAHAZ-QMMMGPOBSA-N 0 3 382.226 2.333 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CSCCS2)cc1 ZINC000287020904 532779411 /nfs/dbraw/zinc/77/94/11/532779411.db2.gz FEKGIQRUAAOHOB-WCQYABFASA-N 0 3 385.536 2.342 20 30 GEEDHN N#Cc1cc(Br)ccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000302055152 532765970 /nfs/dbraw/zinc/76/59/70/532765970.db2.gz AMSWDORGDXLEIN-INIZCTEOSA-N 0 3 377.286 2.239 20 30 GEEDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287709611 532807265 /nfs/dbraw/zinc/80/72/65/532807265.db2.gz GEZOUHFRWDESSC-WFASDCNBSA-N 0 3 398.326 2.426 20 30 GEEDHN CS[C@@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@H]1N(C)C ZINC000330666705 532824514 /nfs/dbraw/zinc/82/45/14/532824514.db2.gz WQRWMVJSLMSMEG-HZPDHXFCSA-N 0 3 378.567 2.475 20 30 GEEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416380996 532874239 /nfs/dbraw/zinc/87/42/39/532874239.db2.gz GCWGIAXXDIBSIE-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1ccnc(Cl)c1I ZINC000293977666 532934134 /nfs/dbraw/zinc/93/41/34/532934134.db2.gz MSBZSHOPLICYIA-UHFFFAOYSA-N 0 3 391.640 2.025 20 30 GEEDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(Br)cc1C#N ZINC000294436456 532939195 /nfs/dbraw/zinc/93/91/95/532939195.db2.gz ASQYNOHUPQZEAE-UHFFFAOYSA-N 0 3 379.302 2.030 20 30 GEEDHN C#CCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000735381637 598837016 /nfs/dbraw/zinc/83/70/16/598837016.db2.gz XJZKUQYUDZQWSS-UHFFFAOYSA-N 0 3 389.463 2.032 20 30 GEEDHN C#CCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000735381637 598837017 /nfs/dbraw/zinc/83/70/17/598837017.db2.gz XJZKUQYUDZQWSS-UHFFFAOYSA-N 0 3 389.463 2.032 20 30 GEEDHN N#Cc1ccc2ncc(C[NH2+]CCSCc3ccccc3-c3nn[n-]n3)n2c1 ZINC000737723086 599483308 /nfs/dbraw/zinc/48/33/08/599483308.db2.gz PBZAFGFYFALOEL-UHFFFAOYSA-N 0 3 390.476 2.409 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000819743289 606602542 /nfs/dbraw/zinc/60/25/42/606602542.db2.gz GMPXNUZNZJWTCB-MSOLQXFVSA-N 0 3 383.500 2.437 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000819743289 606602544 /nfs/dbraw/zinc/60/25/44/606602544.db2.gz GMPXNUZNZJWTCB-MSOLQXFVSA-N 0 3 383.500 2.437 20 30 GEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821586047 607114182 /nfs/dbraw/zinc/11/41/82/607114182.db2.gz HEOZJDKQFPTXMS-UHFFFAOYSA-N 0 3 392.423 2.215 20 30 GEEDHN CS[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1N(C)C ZINC000450264875 650063167 /nfs/dbraw/zinc/06/31/67/650063167.db2.gz HGMQTOJJZKDNND-LSDHHAIUSA-N 0 3 398.326 2.204 20 30 GEEDHN C=C(Br)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000069118206 643020363 /nfs/dbraw/zinc/02/03/63/643020363.db2.gz WQSCYHZKBJAKFU-UHFFFAOYSA-N 0 3 395.345 2.402 20 30 GEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112483642 643363905 /nfs/dbraw/zinc/36/39/05/643363905.db2.gz VAUVEJVMKRLUAT-OLZOCXBDSA-N 0 3 397.269 2.468 20 30 GEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000131005584 643858892 /nfs/dbraw/zinc/85/88/92/643858892.db2.gz WTDASNHWNWBJTN-VXGBXAGGSA-N 0 3 392.253 2.035 20 30 GEEDHN C=CCCOCCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281253689 646756461 /nfs/dbraw/zinc/75/64/61/646756461.db2.gz XLJYKGFLRCTKQB-LLVKDONJSA-N 0 3 377.304 2.340 20 30 GEEDHN C#CCSCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295679410 647237295 /nfs/dbraw/zinc/23/72/95/647237295.db2.gz KUCJIXNEIVFDJP-LBPRGKRZSA-N 0 3 385.327 2.418 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1Br ZINC000331212642 647371614 /nfs/dbraw/zinc/37/16/14/647371614.db2.gz ZYUMUEMWTUYJOL-UHFFFAOYSA-N 0 3 386.315 2.475 20 30 GEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CNCCO1 ZINC000418767567 648310950 /nfs/dbraw/zinc/31/09/50/648310950.db2.gz OAGOGPJYBOMKJQ-AWEZNQCLSA-N 0 3 386.265 2.274 20 30 GEEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cc(C)ccc2Br)CC1 ZINC000422297996 648534882 /nfs/dbraw/zinc/53/48/82/648534882.db2.gz QXYQOQOBZZGAAI-UHFFFAOYSA-N 0 3 394.313 2.140 20 30 GEEDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000555820211 651230830 /nfs/dbraw/zinc/23/08/30/651230830.db2.gz LYAAVMPIBMTEBE-GFCCVEGCSA-N 0 3 393.285 2.107 20 30 GEEDHN Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000556914074 651257003 /nfs/dbraw/zinc/25/70/03/651257003.db2.gz YHJDFHNSYADTRZ-QWHCGFSZSA-N 0 3 386.315 2.318 20 30 GEEDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1N(C)C ZINC000611432562 651724020 /nfs/dbraw/zinc/72/40/20/651724020.db2.gz HVJIKVJLWKXPSV-HZUKXOBISA-N 0 3 378.567 2.413 20 30 GEEDHN CS[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1N1CCCC1 ZINC000570276333 651757011 /nfs/dbraw/zinc/75/70/11/651757011.db2.gz HCIPABOJPVRRCL-ZWKOTPCHSA-N 0 3 379.551 2.094 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H](CO)c2ccccc2Cl)c1 ZINC000579122483 652318622 /nfs/dbraw/zinc/31/86/22/652318622.db2.gz RURVMXSMTWHLHF-OAHLLOKOSA-N 0 3 378.881 2.351 20 30 GEEDHN C=C(Cl)COc1ccc([C@H](C)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000760047450 652593825 /nfs/dbraw/zinc/59/38/25/652593825.db2.gz OJUHZGJXJUNKTC-AWEZNQCLSA-N 0 3 375.922 2.301 20 30 GEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593134182 652615353 /nfs/dbraw/zinc/61/53/53/652615353.db2.gz VZVWPYORBVFJSJ-AWEZNQCLSA-N 0 3 393.329 2.005 20 30 GEEDHN O=S1CCC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000761800889 652657945 /nfs/dbraw/zinc/65/79/45/652657945.db2.gz HLZBQRPNPPDQTP-UHFFFAOYSA-N 0 3 378.567 2.014 20 30 GEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)S(C)(=O)=O ZINC000764445810 652800330 /nfs/dbraw/zinc/80/03/30/652800330.db2.gz BAQLPSMYWCDOAC-GFCCVEGCSA-N 0 3 379.507 2.228 20 30 GEEDHN N#CC1(C[C@@H](O)CN[C@@H](CO)c2ccc(Br)cc2)CCOCC1 ZINC000599357387 652863709 /nfs/dbraw/zinc/86/37/09/652863709.db2.gz QAGIDRFRZMQBRE-CVEARBPZSA-N 0 3 383.286 2.143 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000774043026 653221761 /nfs/dbraw/zinc/22/17/61/653221761.db2.gz LYRYNNVIQANPOK-CQSZACIVSA-N 0 3 395.253 2.274 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000876609384 653437469 /nfs/dbraw/zinc/43/74/69/653437469.db2.gz LZTIXOOPIMIVPZ-AAEUAGOBSA-N 0 3 380.794 2.373 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893559 653452299 /nfs/dbraw/zinc/45/22/99/653452299.db2.gz MGERCSUBBWCDSJ-OLZOCXBDSA-N 0 3 375.778 2.175 20 30 GEEDHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NCc1cc(C#N)cnc1Cl ZINC000877504987 653597892 /nfs/dbraw/zinc/59/78/92/653597892.db2.gz VZHPGZKVXXPWEJ-ZDUSSCGKSA-N 0 3 378.885 2.453 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000815861527 653666914 /nfs/dbraw/zinc/66/69/14/653666914.db2.gz MUULGVYNODKEFX-UHFFFAOYSA-N 0 3 380.286 2.076 20 30 GEEDHN CN(CCC#N)C(=O)CCN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219097 653700918 /nfs/dbraw/zinc/70/09/18/653700918.db2.gz VFIMAFJXSZOTNG-WOVMCDHWSA-N 0 3 380.286 2.151 20 30 GEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000842683792 653762899 /nfs/dbraw/zinc/76/28/99/653762899.db2.gz RMJXXLLJIZFZFA-TZMCWYRMSA-N 0 3 399.289 2.237 20 30 GEEDHN C#CCN1CCC(C(=O)NCc2cc(OC)c(O)cc2Br)CC1 ZINC000844122868 653801917 /nfs/dbraw/zinc/80/19/17/653801917.db2.gz RIOQDQNAGAJNFL-UHFFFAOYSA-N 0 3 381.270 2.125 20 30 GEEDHN O=C1[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCN1[O-] ZINC000895163637 653821039 /nfs/dbraw/zinc/82/10/39/653821039.db2.gz WVPWEZFCKLGHAF-MRXNPFEDSA-N 0 3 382.302 2.383 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2CCNCCC23CCC3)cc1Br ZINC000883479114 653842322 /nfs/dbraw/zinc/84/23/22/653842322.db2.gz NFMSRPNSLSJYNI-UHFFFAOYSA-N 0 3 384.299 2.227 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCc1ccc(F)c(Br)c1)C2 ZINC000884098021 653863393 /nfs/dbraw/zinc/86/33/93/653863393.db2.gz XPBBUYDTUPREBM-JZLYGMAVSA-N 0 3 380.261 2.386 20 30 GEEDHN COc1ccc(Br)cc1CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884114192 653864276 /nfs/dbraw/zinc/86/42/76/653864276.db2.gz KUMVTPZYJRCKIL-JZLYGMAVSA-N 0 3 378.270 2.213 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)n[nH]1 ZINC000824366721 653892898 /nfs/dbraw/zinc/89/28/98/653892898.db2.gz FEJLJZZVCSJJTJ-UHFFFAOYSA-N 0 3 376.258 2.248 20 30 GEEDHN C=CCOc1c(Br)cc(CNCCN2CCNC2=O)cc1OC ZINC000886324576 653978943 /nfs/dbraw/zinc/97/89/43/653978943.db2.gz ZCSVKQVUYRGZMC-UHFFFAOYSA-N 0 3 384.274 2.137 20 30 GEEDHN C#CCN(C(=O)c1cc2c(c(Br)c1)OCO2)C1CCN(C)CC1 ZINC000886583129 653992654 /nfs/dbraw/zinc/99/26/54/653992654.db2.gz BXYDGTDTHDUJEB-UHFFFAOYSA-N 0 3 379.254 2.347 20 30 GEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000797877750 654045231 /nfs/dbraw/zinc/04/52/31/654045231.db2.gz BWXJAXKXCRDRQE-DZKIICNBSA-N 0 3 387.933 2.275 20 30 GEEDHN N#Cc1ccc(Br)c(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968909 654349478 /nfs/dbraw/zinc/34/94/78/654349478.db2.gz HGESAORQYJTBLA-HOCLYGCPSA-N 0 3 399.310 2.147 20 30 GEEDHN N#Cc1c(Br)cccc1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058775 654360271 /nfs/dbraw/zinc/36/02/71/654360271.db2.gz SRLKXGDRJLQRAI-GFCCVEGCSA-N 0 3 376.210 2.031 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905557112 654366025 /nfs/dbraw/zinc/36/60/25/654366025.db2.gz SOBKUQPDZCNWHO-ZFWWWQNUSA-N 0 3 376.400 2.422 20 30 GEEDHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000922106771 654367660 /nfs/dbraw/zinc/36/76/60/654367660.db2.gz TULSKMNUAIMPGU-WFASDCNBSA-N 0 3 386.315 2.128 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000906593316 654451685 /nfs/dbraw/zinc/45/16/85/654451685.db2.gz UINYPFGEGBWMLD-UHFFFAOYSA-N 0 3 390.285 2.410 20 30 GEEDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)C1 ZINC000907199384 654519741 /nfs/dbraw/zinc/51/97/41/654519741.db2.gz XHXFCXAVWDKVHH-HNNXBMFYSA-N 0 3 384.299 2.037 20 30 GEEDHN C#CCN(C(=O)C(=O)NCc1c(Cl)cccc1Cl)C1CCN(C)CC1 ZINC000929425395 654683528 /nfs/dbraw/zinc/68/35/28/654683528.db2.gz MDGHOHWAULQGII-UHFFFAOYSA-N 0 3 382.291 2.166 20 30 GEEDHN CN(CCC#N)c1ccc(CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000122179066 532061374 /nfs/dbraw/zinc/06/13/74/532061374.db2.gz VOYWYKBOVFEVNH-UHFFFAOYSA-N 0 3 378.523 2.166 20 30 GEEDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)C1 ZINC000591328786 532409203 /nfs/dbraw/zinc/40/92/03/532409203.db2.gz CAACNOBQJYMEIL-OAHLLOKOSA-N 0 3 384.299 2.037 20 30 GEEDHN CN(C)C[C@@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592757036 532460156 /nfs/dbraw/zinc/46/01/56/532460156.db2.gz DZCRVNRTSVSYQC-INIZCTEOSA-N 0 3 391.313 2.310 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000521646691 532516690 /nfs/dbraw/zinc/51/66/90/532516690.db2.gz XYICUAPASPAXER-HNNXBMFYSA-N 0 3 395.276 2.203 20 30 GEEDHN CCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@H]1CCN(CC)C1 ZINC000595131676 532545041 /nfs/dbraw/zinc/54/50/41/532545041.db2.gz RUPXEPXOMRJZOK-ZDUSSCGKSA-N 0 3 393.285 2.202 20 30 GEEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H]3CC[C@@H](C1)[S@@]3=O)CCC2 ZINC000528789549 532583118 /nfs/dbraw/zinc/58/31/18/532583118.db2.gz UCYAXZJCLXGPTF-UXGGDIESSA-N 0 3 377.535 2.422 20 30 GEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298114310 532626715 /nfs/dbraw/zinc/62/67/15/532626715.db2.gz AKIURNKNVHLDSJ-MRXNPFEDSA-N 0 3 382.302 2.079 20 30 GEEDHN CCCN1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000376842086 532631666 /nfs/dbraw/zinc/63/16/66/532631666.db2.gz GDWACDHXICYKDD-UHFFFAOYSA-N 0 3 393.285 2.204 20 30 GEEDHN N#Cc1ccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1Br ZINC000378233835 532685208 /nfs/dbraw/zinc/68/52/08/532685208.db2.gz USBAYZLAVJFKGH-ZDUSSCGKSA-N 0 3 384.299 2.180 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000668369534 532711172 /nfs/dbraw/zinc/71/11/72/532711172.db2.gz ZYJRGVNDQLZLDI-UHFFFAOYSA-N 0 3 379.258 2.411 20 30 GEEDHN C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1=CCN(C)CC1 ZINC000450767399 532760117 /nfs/dbraw/zinc/76/01/17/532760117.db2.gz UGWDFDWEUQWVLT-LBPRGKRZSA-N 0 3 378.270 2.466 20 30 GEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CSCCS2)cc1 ZINC000287020903 532779253 /nfs/dbraw/zinc/77/92/53/532779253.db2.gz FEKGIQRUAAOHOB-DGCLKSJQSA-N 0 3 385.536 2.342 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000287260832 532788338 /nfs/dbraw/zinc/78/83/38/532788338.db2.gz DBYYIYSMHUSATL-UHFFFAOYSA-N 0 3 384.322 2.375 20 30 GEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000330081817 532814308 /nfs/dbraw/zinc/81/43/08/532814308.db2.gz PVCPDURJVYXXJA-QTLPULKOSA-N 0 3 379.544 2.005 20 30 GEEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CNCCO2)cc1OCC ZINC000415097646 532837668 /nfs/dbraw/zinc/83/76/68/532837668.db2.gz UBMLWDQZNUDOFA-AWEZNQCLSA-N 0 3 385.302 2.491 20 30 GEEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000416366023 532872036 /nfs/dbraw/zinc/87/20/36/532872036.db2.gz BPPGTFMGTISFBT-KBPBESRZSA-N 0 3 384.299 2.226 20 30 GEEDHN C#CCNC(=O)[C@@H](C)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293565963 532928700 /nfs/dbraw/zinc/92/87/00/532928700.db2.gz MNJYROSAMYTGAS-CYBMUJFWSA-N 0 3 397.288 2.407 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000735420432 598416275 /nfs/dbraw/zinc/41/62/75/598416275.db2.gz PLZMMDGNJWQUIQ-UHFFFAOYSA-N 0 3 387.557 2.317 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000735420432 598416276 /nfs/dbraw/zinc/41/62/76/598416276.db2.gz PLZMMDGNJWQUIQ-UHFFFAOYSA-N 0 3 387.557 2.317 20 30 GEEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000735421425 598726631 /nfs/dbraw/zinc/72/66/31/598726631.db2.gz ZHLIMQCCSXVEOB-UHFFFAOYSA-N 0 3 383.500 2.296 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000735421425 598726632 /nfs/dbraw/zinc/72/66/32/598726632.db2.gz ZHLIMQCCSXVEOB-UHFFFAOYSA-N 0 3 383.500 2.296 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000735420327 599613923 /nfs/dbraw/zinc/61/39/23/599613923.db2.gz OTHCAOBUGDERJQ-SFHVURJKSA-N 0 3 381.484 2.049 20 30 GEEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000735420327 599613925 /nfs/dbraw/zinc/61/39/25/599613925.db2.gz OTHCAOBUGDERJQ-SFHVURJKSA-N 0 3 381.484 2.049 20 30 GEEDHN COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1-c1nnn[n-]1 ZINC000826194860 607484541 /nfs/dbraw/zinc/48/45/41/607484541.db2.gz YAYHGAFLZDXTCA-UHFFFAOYSA-N 0 3 389.463 2.459 20 30 GEEDHN COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1-c1nnn[n-]1 ZINC000826194860 607484542 /nfs/dbraw/zinc/48/45/42/607484542.db2.gz YAYHGAFLZDXTCA-UHFFFAOYSA-N 0 3 389.463 2.459 20 30 GEEDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448975840 650027862 /nfs/dbraw/zinc/02/78/62/650027862.db2.gz QWCIUGHWXDLVGQ-CYBMUJFWSA-N 0 3 379.302 2.077 20 30 GEEDHN CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CN2CCC1CC2 ZINC000449863381 650054312 /nfs/dbraw/zinc/05/43/12/650054312.db2.gz FYURZARAUQNCAP-OAHLLOKOSA-N 0 3 378.270 2.252 20 30 GEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103230 650059922 /nfs/dbraw/zinc/05/99/22/650059922.db2.gz GFGSQUVKLBDSPQ-BZNIZROVSA-N 0 3 378.270 2.298 20 30 GEEDHN CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451570913 650126478 /nfs/dbraw/zinc/12/64/78/650126478.db2.gz VRVBAOFORXAULF-JTQLQIEISA-N 0 3 392.294 2.467 20 30 GEEDHN CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451570913 650126481 /nfs/dbraw/zinc/12/64/81/650126481.db2.gz VRVBAOFORXAULF-JTQLQIEISA-N 0 3 392.294 2.467 20 30 GEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453342628 650208246 /nfs/dbraw/zinc/20/82/46/650208246.db2.gz IPBDJPMLSSPCSY-HONMWMINSA-N 0 3 389.315 2.481 20 30 GEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000454105536 650253694 /nfs/dbraw/zinc/25/36/94/650253694.db2.gz QFGRMPIBSZBMDD-CQSZACIVSA-N 0 3 393.285 2.200 20 30 GEEDHN Cc1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)n1 ZINC000069283720 643028460 /nfs/dbraw/zinc/02/84/60/643028460.db2.gz PLOOXDSJHXUGGR-GFCCVEGCSA-N 0 3 396.519 2.007 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112483686 643363992 /nfs/dbraw/zinc/36/39/92/643363992.db2.gz BIMZRIIIWXMFNP-NEPJUHHUSA-N 0 3 383.242 2.078 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000117083426 643483331 /nfs/dbraw/zinc/48/33/31/643483331.db2.gz DAPPYGGETHIKMM-QKFKETGDSA-N 0 3 397.294 2.348 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000119096160 643535657 /nfs/dbraw/zinc/53/56/57/643535657.db2.gz PETFYRUEYXRYGA-UHFFFAOYSA-N 0 3 385.249 2.457 20 30 GEEDHN C=C(Br)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000176008022 644395694 /nfs/dbraw/zinc/39/56/94/644395694.db2.gz ICGBUNLBXPYNTD-UHFFFAOYSA-N 0 3 382.302 2.351 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000193416683 645270792 /nfs/dbraw/zinc/27/07/92/645270792.db2.gz LYQZYLJVKRGKJK-ZDUSSCGKSA-N 0 3 377.853 2.477 20 30 GEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000273047430 646299286 /nfs/dbraw/zinc/29/92/86/646299286.db2.gz DTTLRLINHLVUGD-WMZOPIPTSA-N 0 3 391.265 2.384 20 30 GEEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cccnc1C#N ZINC000277261231 646395195 /nfs/dbraw/zinc/39/51/95/646395195.db2.gz WUBATMLJCZMKGG-UHFFFAOYSA-N 0 3 378.420 2.238 20 30 GEEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278943224 646564949 /nfs/dbraw/zinc/56/49/49/646564949.db2.gz YOQGLGAFKUWIFZ-UHFFFAOYSA-N 0 3 386.315 2.283 20 30 GEEDHN C#CCN1CCC(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000279565267 646612120 /nfs/dbraw/zinc/61/21/20/646612120.db2.gz KXKWDPBHQJCHLF-UHFFFAOYSA-N 0 3 388.269 2.314 20 30 GEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(Br)cnn1C ZINC000294948276 647228713 /nfs/dbraw/zinc/22/87/13/647228713.db2.gz VSYUHQSEOOQVJB-UHFFFAOYSA-N 0 3 390.285 2.258 20 30 GEEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416411936 648117576 /nfs/dbraw/zinc/11/75/76/648117576.db2.gz LGSMTPIMFSEQNJ-AWEZNQCLSA-N 0 3 386.315 2.426 20 30 GEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093946 648612434 /nfs/dbraw/zinc/61/24/34/648612434.db2.gz SNZSKFVEFKHPFV-GWCFXTLKSA-N 0 3 382.258 2.419 20 30 GEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000424093948 648612458 /nfs/dbraw/zinc/61/24/58/648612458.db2.gz SNZSKFVEFKHPFV-MFKMUULPSA-N 0 3 382.258 2.419 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000424097182 648612943 /nfs/dbraw/zinc/61/29/43/648612943.db2.gz DXRHAFLDQBNDTR-CQSZACIVSA-N 0 3 383.279 2.299 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000424103845 648613663 /nfs/dbraw/zinc/61/36/63/648613663.db2.gz SYTRMNWKTGQEMM-CQSZACIVSA-N 0 3 383.279 2.299 20 30 GEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425369618 648674626 /nfs/dbraw/zinc/67/46/26/648674626.db2.gz AFLMKOWASRFWKF-DZGCQCFKSA-N 0 3 381.929 2.469 20 30 GEEDHN N#Cc1cccc(S(=O)(=O)CCNCCN2CCc3sccc3C2)c1 ZINC000549111242 651092184 /nfs/dbraw/zinc/09/21/84/651092184.db2.gz VRODYIKRGWMXFV-UHFFFAOYSA-N 0 3 375.519 2.041 20 30 GEEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000730920387 651612618 /nfs/dbraw/zinc/61/26/18/651612618.db2.gz LWCCAWLGGQASGB-NSHDSACASA-N 0 3 384.841 2.292 20 30 GEEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000730920386 651612856 /nfs/dbraw/zinc/61/28/56/651612856.db2.gz LWCCAWLGGQASGB-LLVKDONJSA-N 0 3 384.841 2.292 20 30 GEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000611394515 651722823 /nfs/dbraw/zinc/72/28/23/651722823.db2.gz OUZFCNYAYIXGFL-DOTOQJQBSA-N 0 3 376.503 2.422 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c1 ZINC000576814174 652144571 /nfs/dbraw/zinc/14/45/71/652144571.db2.gz KMBZIYVEDLNTOY-UHFFFAOYSA-N 0 3 398.326 2.473 20 30 GEEDHN CCN(CC)CC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000580496471 652381166 /nfs/dbraw/zinc/38/11/66/652381166.db2.gz LTHONJSMWDICJA-UHFFFAOYSA-N 0 3 397.292 2.450 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000594440816 652650015 /nfs/dbraw/zinc/65/00/15/652650015.db2.gz ZXNUZNNIPQIGHF-OAHLLOKOSA-N 0 3 395.301 2.096 20 30 GEEDHN C=C[C@](C)(O)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000668911151 652675554 /nfs/dbraw/zinc/67/55/54/652675554.db2.gz PJCHPDFHUYRPQH-SFHVURJKSA-N 0 3 397.313 2.346 20 30 GEEDHN COC(=O)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1Br ZINC000595255961 652710669 /nfs/dbraw/zinc/71/06/69/652710669.db2.gz HHODRERUNBMWSP-UONOGXRCSA-N 0 3 382.258 2.191 20 30 GEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595258876 652711790 /nfs/dbraw/zinc/71/17/90/652711790.db2.gz FSWJXDSOMVUKRA-SECBINFHSA-N 0 3 383.193 2.127 20 30 GEEDHN Cc1cc(S(=O)(=O)NCCN[C@H](C)CC2(C#N)CCOCC2)c(C)s1 ZINC000602575282 653192217 /nfs/dbraw/zinc/19/22/17/653192217.db2.gz RRSPCVMEAMBYAP-CYBMUJFWSA-N 0 3 385.555 2.332 20 30 GEEDHN C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000774961578 653275143 /nfs/dbraw/zinc/27/51/43/653275143.db2.gz GWUQFVZVJKOZCL-OAHLLOKOSA-N 0 3 382.302 2.211 20 30 GEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COc1cccc(Br)c1C#N ZINC000874826842 653338150 /nfs/dbraw/zinc/33/81/50/653338150.db2.gz QDWNTZHRDDGAPW-HUUCEWRRSA-N 0 3 378.270 2.395 20 30 GEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000874823606 653338256 /nfs/dbraw/zinc/33/82/56/653338256.db2.gz BFZZVIAGYGNCAK-JKSUJKDBSA-N 0 3 378.270 2.395 20 30 GEEDHN C#C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000836282352 653342630 /nfs/dbraw/zinc/34/26/30/653342630.db2.gz LAGYOPGPGKDICX-ULQDDVLXSA-N 0 3 392.297 2.286 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000876877707 653451514 /nfs/dbraw/zinc/45/15/14/653451514.db2.gz FLXRYHZZPWLXND-HNNXBMFYSA-N 0 3 382.295 2.102 20 30 GEEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000815860764 653667014 /nfs/dbraw/zinc/66/70/14/653667014.db2.gz ZIRVUVGGBZSXMC-UHFFFAOYSA-N 0 3 380.286 2.076 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000818595907 653734455 /nfs/dbraw/zinc/73/44/55/653734455.db2.gz RVILEARCRYVRKM-UHFFFAOYSA-N 0 3 375.270 2.320 20 30 GEEDHN C#CCN(C)CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000818606621 653734831 /nfs/dbraw/zinc/73/48/31/653734831.db2.gz ZUAZTWXNQHHJKT-UHFFFAOYSA-N 0 3 393.260 2.459 20 30 GEEDHN C[C@@H]1CN(c2ncc(C#N)cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000882144055 653765630 /nfs/dbraw/zinc/76/56/30/653765630.db2.gz ATUBMLJBHDUIFG-CJNGLKHVSA-N 0 3 378.318 2.178 20 30 GEEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000790039703 653785517 /nfs/dbraw/zinc/78/55/17/653785517.db2.gz NZMYWAIAOJHYEE-UHFFFAOYSA-N 0 3 382.873 2.354 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCOc3cccc(Br)c3C1)C2 ZINC000884391142 653875153 /nfs/dbraw/zinc/87/51/53/653875153.db2.gz RQZVRXNPLYLFJW-XYEKJYRLSA-N 0 3 390.281 2.309 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000884435782 653876782 /nfs/dbraw/zinc/87/67/82/653876782.db2.gz JXNJVRSUJOXMGH-CSJGVYOVSA-N 0 3 384.224 2.483 20 30 GEEDHN CN(C)CCn1nccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000900464473 654065587 /nfs/dbraw/zinc/06/55/87/654065587.db2.gz NMGXCWJSLBQHJU-CQSZACIVSA-N 0 3 376.258 2.202 20 30 GEEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cnc(C#N)n1 ZINC000798815600 654077112 /nfs/dbraw/zinc/07/71/12/654077112.db2.gz ASRMKYOTNKZAJL-QPUJVOFHSA-N 0 3 377.191 2.365 20 30 GEEDHN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)ccc1Cl ZINC000917508623 654126613 /nfs/dbraw/zinc/12/66/13/654126613.db2.gz DTADZWPRIATBCV-NSHDSACASA-N 0 3 377.809 2.100 20 30 GEEDHN C=CCN1CCC(NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000853692650 654315659 /nfs/dbraw/zinc/31/56/59/654315659.db2.gz XAEGXHWRSUGIEA-UHFFFAOYSA-N 0 3 394.313 2.312 20 30 GEEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000921968902 654349359 /nfs/dbraw/zinc/34/93/59/654349359.db2.gz HGESAORQYJTBLA-GDBMZVCRSA-N 0 3 399.310 2.147 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000855106031 654396923 /nfs/dbraw/zinc/39/69/23/654396923.db2.gz IDPZTGCSXYRHBJ-SFHVURJKSA-N 0 3 379.298 2.118 20 30 GEEDHN CCN(CCC#N)S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000907347884 654534604 /nfs/dbraw/zinc/53/46/04/654534604.db2.gz VVVINKRJUKQDMM-INIZCTEOSA-N 0 3 384.571 2.291 20 30 GEEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2I)CCN1C ZINC000932547246 654780890 /nfs/dbraw/zinc/78/08/90/654780890.db2.gz GHRPZQIAWUEBJU-CABZTGNLSA-N 0 3 384.221 2.377 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000120246481 531978268 /nfs/dbraw/zinc/97/82/68/531978268.db2.gz OPTOVDYOQYXONK-INIZCTEOSA-N 0 3 377.286 2.064 20 30 GEEDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC[C@@H]21 ZINC000122476488 532071327 /nfs/dbraw/zinc/07/13/27/532071327.db2.gz PSYNCPFEKICEIC-BBRMVZONSA-N 0 3 398.326 2.426 20 30 GEEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000174736569 532075254 /nfs/dbraw/zinc/07/52/54/532075254.db2.gz UYQSVMIQSSCXSP-SWLSCSKDSA-N 0 3 383.279 2.084 20 30 GEEDHN CSC[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182866181 532319150 /nfs/dbraw/zinc/31/91/50/532319150.db2.gz YTYMQMMLPNPMRX-CVEARBPZSA-N 0 3 378.567 2.284 20 30 GEEDHN N#Cc1ccc(OCC(=O)N[C@H]2CCN(CC3CC3)C2)cc1Br ZINC000590666698 532380425 /nfs/dbraw/zinc/38/04/25/532380425.db2.gz OOZNTODSKUYLQN-AWEZNQCLSA-N 0 3 378.270 2.300 20 30 GEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C ZINC000294860631 532387613 /nfs/dbraw/zinc/38/76/13/532387613.db2.gz SYYYHGMOXOBYAD-BXUZGUMPSA-N 0 3 393.285 2.200 20 30 GEEDHN CN(C)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1 ZINC000592790712 532464458 /nfs/dbraw/zinc/46/44/58/532464458.db2.gz BDKGSHGGNKKDJW-UHFFFAOYSA-N 0 3 391.313 2.357 20 30 GEEDHN CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1N(C)C ZINC000593560337 532488602 /nfs/dbraw/zinc/48/86/02/532488602.db2.gz DPUFUYYAIJLSPD-LSDHHAIUSA-N 0 3 382.327 2.367 20 30 GEEDHN CN(CCC#N)C(=O)CCN1CCN(c2ccc(Br)cc2)CC1 ZINC000595722898 532570312 /nfs/dbraw/zinc/57/03/12/532570312.db2.gz MSMVRNUSECFFLW-UHFFFAOYSA-N 0 3 379.302 2.333 20 30 GEEDHN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 ZINC000408435100 532718341 /nfs/dbraw/zinc/71/83/41/532718341.db2.gz LDDYPYGOQOMNSW-HUUCEWRRSA-N 0 3 384.299 2.226 20 30 GEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000286267143 532737366 /nfs/dbraw/zinc/73/73/66/532737366.db2.gz FYIVJVLOXFSRRT-GJZGRUSLSA-N 0 3 383.901 2.085 20 30 GEEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000411142947 532748713 /nfs/dbraw/zinc/74/87/13/532748713.db2.gz LODTUWHKTYGNCY-LLVKDONJSA-N 0 3 384.274 2.019 20 30 GEEDHN O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCN2CCC[C@@H]2C1 ZINC000329499834 532807757 /nfs/dbraw/zinc/80/77/57/532807757.db2.gz YDBQMULOMAIDEW-CYBMUJFWSA-N 0 3 396.285 2.414 20 30 GEEDHN CN1CCC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000330563707 532821094 /nfs/dbraw/zinc/82/10/94/532821094.db2.gz JFVCUHREEKGNFF-DLBZAZTESA-N 0 3 391.313 2.252 20 30 GEEDHN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)CN1CCCC1 ZINC000330677179 532824808 /nfs/dbraw/zinc/82/48/08/532824808.db2.gz VBGOOGPRFMSWIM-LBPRGKRZSA-N 0 3 386.315 2.331 20 30 GEEDHN O=C(NC[C@H]1CCCCN1CCO)c1ccccc1I ZINC000331291639 532837029 /nfs/dbraw/zinc/83/70/29/532837029.db2.gz BLXUCBRJSUCIAQ-GFCCVEGCSA-N 0 3 388.249 2.443 20 30 GEEDHN CN(CCC(=O)Nc1ccccc1C#N)CCn1cc(Br)cn1 ZINC000288829885 532839615 /nfs/dbraw/zinc/83/96/15/532839615.db2.gz NUUMPMRRDLBPCX-UHFFFAOYSA-N 0 3 376.258 2.478 20 30 GEEDHN CN1CC[C@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000333039001 532862785 /nfs/dbraw/zinc/86/27/85/532862785.db2.gz DSXIGTIYDIEZNA-KRWDZBQOSA-N 0 3 378.270 2.254 20 30 GEEDHN CN1CC[C@@H](CNc2cc(S(N)(=O)=O)ccc2C#N)[C@@H]1c1cccs1 ZINC000367732458 532926740 /nfs/dbraw/zinc/92/67/40/532926740.db2.gz ZNHZVXNNGVACAF-SUMWQHHRSA-N 0 3 376.507 2.372 20 30 GEEDHN C#CCN(C)CCCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000293939477 532933542 /nfs/dbraw/zinc/93/35/42/532933542.db2.gz IWALKLYRZFCWMP-UHFFFAOYSA-N 0 3 377.897 2.356 20 30 GEEDHN N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)c1 ZINC000057154228 132449821 /nfs/dbraw/zinc/44/98/21/132449821.db2.gz MKYHCDQFJAXAJX-FQEVSTJZSA-N 0 3 375.476 2.266 20 30 GEEDHN CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000819773574 607252488 /nfs/dbraw/zinc/25/24/88/607252488.db2.gz VKKHIHVTWOFACB-UHFFFAOYSA-N 0 3 379.468 2.321 20 30 GEEDHN C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000819718284 607253508 /nfs/dbraw/zinc/25/35/08/607253508.db2.gz DMULAIWSOQVCJE-UHFFFAOYSA-N 0 3 391.479 2.465 20 30 GEEDHN N#CC(C(=O)Nc1nncs1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826379628 608494975 /nfs/dbraw/zinc/49/49/75/608494975.db2.gz XHGBBXKSBWIDLG-JTQLQIEISA-N 0 3 395.433 2.088 20 30 GEEDHN C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000450077993 650059560 /nfs/dbraw/zinc/05/95/60/650059560.db2.gz VOEXMISDSRMPEP-YPMHNXCESA-N 0 3 378.270 2.441 20 30 GEEDHN C[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CN1C1CC1 ZINC000450074299 650059581 /nfs/dbraw/zinc/05/95/81/650059581.db2.gz KXBKXQMTEBBTAP-RYUDHWBXSA-N 0 3 378.270 2.441 20 30 GEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000450103233 650059979 /nfs/dbraw/zinc/05/99/79/650059979.db2.gz GFGSQUVKLBDSPQ-MEDUHNTESA-N 0 3 378.270 2.298 20 30 GEEDHN CS[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1N(C)C ZINC000450266724 650063280 /nfs/dbraw/zinc/06/32/80/650063280.db2.gz STRBNXXGBMMATM-DZGCQCFKSA-N 0 3 398.326 2.204 20 30 GEEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451477860 650119009 /nfs/dbraw/zinc/11/90/09/650119009.db2.gz XYJVAVBEMHOFBN-OAHLLOKOSA-N 0 3 382.555 2.229 20 30 GEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CN2CCN1CCC2 ZINC000486242243 650709997 /nfs/dbraw/zinc/70/99/97/650709997.db2.gz DWCGHOBHOJNWJP-QGZVFWFLSA-N 0 3 396.304 2.493 20 30 GEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112483682 643363950 /nfs/dbraw/zinc/36/39/50/643363950.db2.gz BIMZRIIIWXMFNP-VXGBXAGGSA-N 0 3 383.242 2.078 20 30 GEEDHN N#CC(C(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000123444819 643670978 /nfs/dbraw/zinc/67/09/78/643670978.db2.gz YKFHKGICQWIOOO-SECBINFHSA-N 0 3 382.163 2.446 20 30 GEEDHN C[C@H](C#N)Oc1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158320378 644142887 /nfs/dbraw/zinc/14/28/87/644142887.db2.gz WUBATGQPYJDGDY-CQSZACIVSA-N 0 3 379.507 2.449 20 30 GEEDHN COCCNC(=O)C(C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000193420708 645271408 /nfs/dbraw/zinc/27/14/08/645271408.db2.gz FYXCCQWPSSWXDB-QMMMGPOBSA-N 0 3 379.627 2.497 20 30 GEEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCCN1C ZINC000194700685 645343558 /nfs/dbraw/zinc/34/35/58/645343558.db2.gz NXGBZWPPQBMTQE-CYBMUJFWSA-N 0 3 396.285 2.309 20 30 GEEDHN CN(C)C[C@@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)CCO1 ZINC000329642481 647322318 /nfs/dbraw/zinc/32/23/18/647322318.db2.gz YIFVDTBAZAUMEK-OAHLLOKOSA-N 0 3 398.301 2.060 20 30 GEEDHN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](N)CCCC#N)ccc1Cl ZINC000424079595 648610881 /nfs/dbraw/zinc/61/08/81/648610881.db2.gz RITPWRCSMZYUKG-CQSZACIVSA-N 0 3 386.905 2.330 20 30 GEEDHN CN(CCC#N)C(=O)CCN1CCN(c2cccc(Br)c2)CC1 ZINC000551406130 651124101 /nfs/dbraw/zinc/12/41/01/651124101.db2.gz GUWWLELGPHGYNF-UHFFFAOYSA-N 0 3 379.302 2.333 20 30 GEEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000729977532 651586811 /nfs/dbraw/zinc/58/68/11/651586811.db2.gz UMUBOQJBCWQHLB-UHFFFAOYSA-N 0 3 390.285 2.410 20 30 GEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000611394518 651722856 /nfs/dbraw/zinc/72/28/56/651722856.db2.gz OUZFCNYAYIXGFL-WBVHZDCISA-N 0 3 376.503 2.422 20 30 GEEDHN NS(=O)(=O)c1ccc(NN=Cc2sc(N3CCCC3)nc2Cl)cc1 ZINC000735969955 651805221 /nfs/dbraw/zinc/80/52/21/651805221.db2.gz QUIIXNIDJIXKJS-UHFFFAOYSA-N 0 3 385.902 2.490 20 30 GEEDHN C=CCOc1c(Cl)cc(CNCC(C)(C)NS(C)(=O)=O)cc1OC ZINC000623411959 652235653 /nfs/dbraw/zinc/23/56/53/652235653.db2.gz RQZMFEWKANUGKK-UHFFFAOYSA-N 0 3 376.906 2.331 20 30 GEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000583202485 652476698 /nfs/dbraw/zinc/47/66/98/652476698.db2.gz UCLNXTUNNKJMQW-CJNGLKHVSA-N 0 3 379.302 2.413 20 30 GEEDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000590247054 652577308 /nfs/dbraw/zinc/57/73/08/652577308.db2.gz YYLGVYDSGJXALC-ZDUSSCGKSA-N 0 3 393.285 2.250 20 30 GEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc(I)cc1 ZINC000595258856 652711890 /nfs/dbraw/zinc/71/18/90/652711890.db2.gz FDFVYFSSTCQUPF-CQSZACIVSA-N 0 3 385.249 2.361 20 30 GEEDHN N#Cc1cc(F)c(N2CCC[C@H](n3cc(CN)nn3)C2)cc1Br ZINC000596014858 652746750 /nfs/dbraw/zinc/74/67/50/652746750.db2.gz UTFRGFNWWYBUSK-LBPRGKRZSA-N 0 3 379.237 2.352 20 30 GEEDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000601421241 653093792 /nfs/dbraw/zinc/09/37/92/653093792.db2.gz IMKICWYWTMBLKP-RNCFNFMXSA-N 0 3 390.278 2.173 20 30 GEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000602529995 653188497 /nfs/dbraw/zinc/18/84/97/653188497.db2.gz SDEIACIROMURPG-AWEZNQCLSA-N 0 3 385.917 2.307 20 30 GEEDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc(Br)cc2C#N)C1 ZINC000808263776 653224472 /nfs/dbraw/zinc/22/44/72/653224472.db2.gz FMSLJCZLCHKPMV-HNNXBMFYSA-N 0 3 381.274 2.428 20 30 GEEDHN C#C[C@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1ccc(Br)cc1 ZINC000836317110 653344256 /nfs/dbraw/zinc/34/42/56/653344256.db2.gz COQSBCSMRXMNQG-HOTGVXAUSA-N 0 3 380.286 2.143 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000836425448 653351125 /nfs/dbraw/zinc/35/11/25/653351125.db2.gz BVTZGJAWDPWTSL-MRXNPFEDSA-N 0 3 393.329 2.282 20 30 GEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000836446022 653353139 /nfs/dbraw/zinc/35/31/39/653353139.db2.gz PEVMVGJDCMAQGO-CQSZACIVSA-N 0 3 384.249 2.276 20 30 GEEDHN C#CCN(C)CCCNC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000836488455 653356001 /nfs/dbraw/zinc/35/60/01/653356001.db2.gz WXIIYOKCXMRKCR-UHFFFAOYSA-N 0 3 382.302 2.424 20 30 GEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000876877708 653452231 /nfs/dbraw/zinc/45/22/31/653452231.db2.gz FLXRYHZZPWLXND-OAHLLOKOSA-N 0 3 382.295 2.102 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000876893560 653452465 /nfs/dbraw/zinc/45/24/65/653452465.db2.gz MGERCSUBBWCDSJ-QWHCGFSZSA-N 0 3 375.778 2.175 20 30 GEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000876896225 653452960 /nfs/dbraw/zinc/45/29/60/653452960.db2.gz XZQGJMSXULZIBS-NWDGAFQWSA-N 0 3 375.778 2.397 20 30 GEEDHN N#Cc1cnc(Cl)c(CNC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000877109073 653466573 /nfs/dbraw/zinc/46/65/73/653466573.db2.gz YYBDGHCUOBITRW-UHFFFAOYSA-N 0 3 382.795 2.010 20 30 GEEDHN COC(=O)CCN1CCC(N=Nc2cc(CO)ccc2Br)CC1 ZINC000841655645 653738043 /nfs/dbraw/zinc/73/80/43/653738043.db2.gz WQCFPJFSKNJVDL-UHFFFAOYSA-N 0 3 384.274 2.368 20 30 GEEDHN C[C@H]1CN(c2ncc(C#N)cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000882144054 653765567 /nfs/dbraw/zinc/76/55/67/653765567.db2.gz ATUBMLJBHDUIFG-BBRMVZONSA-N 0 3 378.318 2.178 20 30 GEEDHN CS[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H]1N(C)C ZINC000883099202 653826826 /nfs/dbraw/zinc/82/68/26/653826826.db2.gz MOYPVAPHTFFWTH-RYUDHWBXSA-N 0 3 384.303 2.225 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000884053874 653861600 /nfs/dbraw/zinc/86/16/00/653861600.db2.gz JTIDGIJVRGULOT-GCULGPDHSA-N 0 3 381.263 2.187 20 30 GEEDHN CC(=O)Nc1ccc(Br)cc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884109656 653863968 /nfs/dbraw/zinc/86/39/68/653863968.db2.gz MODNTGVDSJOATI-JKGQDXBKSA-N 0 3 391.269 2.485 20 30 GEEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)Oc1ccccc1Br ZINC000884155542 653866322 /nfs/dbraw/zinc/86/63/22/653866322.db2.gz FFOJYLFNRKMHML-DWBBHFSCSA-N 0 3 392.297 2.472 20 30 GEEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)Oc1cccc(Br)c1 ZINC000884155784 653866344 /nfs/dbraw/zinc/86/63/44/653866344.db2.gz KWIHOAVGYHVZIE-FMHYQEOESA-N 0 3 392.297 2.472 20 30 GEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCNc1cccc(Br)c1)C2 ZINC000884325196 653872382 /nfs/dbraw/zinc/87/23/82/653872382.db2.gz KWWXAUQEWQPNJZ-JZLYGMAVSA-N 0 3 377.286 2.117 20 30 GEEDHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000867581382 653956018 /nfs/dbraw/zinc/95/60/18/653956018.db2.gz JOEVBBCOFSCWCI-UHFFFAOYSA-N 0 3 385.917 2.191 20 30 GEEDHN C=CCN1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000826656410 653956079 /nfs/dbraw/zinc/95/60/79/653956079.db2.gz OHKRSMIBXYCNED-UHFFFAOYSA-N 0 3 377.251 2.128 20 30 GEEDHN C#CCN(C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C)C1CCN(C)CC1 ZINC000886575917 653992582 /nfs/dbraw/zinc/99/25/82/653992582.db2.gz OXORDKLUGQYESI-UHFFFAOYSA-N 0 3 376.810 2.420 20 30 GEEDHN C#CCC1(NCCS(=O)(=O)c2ccc(Br)cc2)CCOCC1 ZINC000887127766 654020927 /nfs/dbraw/zinc/02/09/27/654020927.db2.gz XVBOPSIWSMMKET-UHFFFAOYSA-N 0 3 386.311 2.385 20 30 GEEDHN N#C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccccc1Br ZINC000900701261 654077246 /nfs/dbraw/zinc/07/72/46/654077246.db2.gz WJXZVBQSDQXVNY-MRXNPFEDSA-N 0 3 378.270 2.241 20 30 GEEDHN C=CCNC(=O)C(C#N)C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000916920834 654110956 /nfs/dbraw/zinc/11/09/56/654110956.db2.gz NSTYVBOPOPDTEL-LLVKDONJSA-N 0 3 375.479 2.130 20 30 GEEDHN C#CCN(Cc1ccccc1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000831521504 654189821 /nfs/dbraw/zinc/18/98/21/654189821.db2.gz BGCIECMORQFJRT-CQSZACIVSA-N 0 3 377.384 2.336 20 30 GEEDHN C=C(C)CN1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000852072662 654216395 /nfs/dbraw/zinc/21/63/95/654216395.db2.gz GBAGZMAFJBBESN-UHFFFAOYSA-N 0 3 382.306 2.211 20 30 GEEDHN C#CCN1CCC(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000890631906 654234832 /nfs/dbraw/zinc/23/48/32/654234832.db2.gz JEAQCEIVQXACSI-SFHVURJKSA-N 0 3 379.298 2.118 20 30 GEEDHN N#Cc1cc(S(=O)(=O)N2CCNCCC23CCC3)ccc1Br ZINC000903518027 654246842 /nfs/dbraw/zinc/24/68/42/654246842.db2.gz WLDYOYUPZDEWHG-UHFFFAOYSA-N 0 3 384.299 2.227 20 30 GEEDHN C#CCN(C)CCCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000854094509 654340427 /nfs/dbraw/zinc/34/04/27/654340427.db2.gz UCILIACHTHLVMR-QGZVFWFLSA-N 0 3 394.313 2.487 20 30 GEEDHN Cn1nc(Br)nc1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000894360093 654469443 /nfs/dbraw/zinc/46/94/43/654469443.db2.gz UXWDRTFIRYYLFU-UHFFFAOYSA-N 0 3 391.273 2.324 20 30 GEEDHN C[C@@]1(C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)NC(=O)NC1=O ZINC000894417952 654473970 /nfs/dbraw/zinc/47/39/70/654473970.db2.gz XRHRJEBFCWDYOB-GUYCJALGSA-N 0 3 391.269 2.273 20 30 GEEDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC[C@H]21 ZINC000907052877 654504328 /nfs/dbraw/zinc/50/43/28/654504328.db2.gz HYRQBWSQQKUWMN-MLGOLLRUSA-N 0 3 398.326 2.426 20 30 GEEDHN