smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)C#N)c1 ZINC001632695843 1166367762 /nfs/dbraw/zinc/36/77/62/1166367762.db2.gz NRAZNXUGIYPFIB-UHFFFAOYSA-N -1 3 287.319 1.796 10 30 CDEEHM CC#CC[C@@H](CO)NCc1ccc([O-])c(F)c1F ZINC001182655399 918063522 /nfs/dbraw/zinc/06/35/22/918063522.db2.gz ZGPANOAHWXSLJO-JTQLQIEISA-N -1 3 255.264 1.534 10 30 CDEEHM C[C@H](NC(=O)[C@@H]1C[C@@H]1C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001413713273 936710308 /nfs/dbraw/zinc/71/03/08/936710308.db2.gz SFKKGMVCDHXHOI-KVQBGUIXSA-N -1 3 273.218 1.160 10 30 CDEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000816693456 930343017 /nfs/dbraw/zinc/34/30/17/930343017.db2.gz LEBOMLXZPKBGOI-HLUHBDAQSA-N -1 3 296.273 1.175 10 30 CDEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845923746 931933466 /nfs/dbraw/zinc/93/34/66/931933466.db2.gz PKHDDCIPHVRFHY-VIFPVBQESA-N -1 3 283.309 1.070 10 30 CDEEHM C=CCn1c(=O)[n-]nc1SCn1nnc2ccccc21 ZINC001165840459 939579108 /nfs/dbraw/zinc/57/91/08/939579108.db2.gz FWFQTKBHKVAQEN-UHFFFAOYSA-N -1 3 288.336 1.664 10 30 CDEEHM N#CCNC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001276544371 940243092 /nfs/dbraw/zinc/24/30/92/940243092.db2.gz PDRFMFAYZMNPQV-LBPRGKRZSA-N -1 3 259.309 1.014 10 30 CDEEHM N#Cc1cccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC001363192006 971957620 /nfs/dbraw/zinc/95/76/20/971957620.db2.gz YPCORJGUDABNKH-VIFPVBQESA-N -1 3 283.291 1.012 10 30 CDEEHM C[C@H](C#N)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001363865769 953939301 /nfs/dbraw/zinc/93/93/01/953939301.db2.gz KSWVMTUGXMESQD-SNVBAGLBSA-N -1 3 298.302 1.865 10 30 CDEEHM C[C@H](C#N)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001363865769 953939305 /nfs/dbraw/zinc/93/93/05/953939305.db2.gz KSWVMTUGXMESQD-SNVBAGLBSA-N -1 3 298.302 1.865 10 30 CDEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc2cc(O)ccc21 ZINC001298425971 955187200 /nfs/dbraw/zinc/18/72/00/955187200.db2.gz 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/nfs/dbraw/zinc/60/89/86/1171608986.db2.gz AEZRFUACVKHNKV-UHFFFAOYSA-N -1 3 256.331 1.184 10 30 CDEEHM C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)CC(F)F ZINC000592067047 342663430 /nfs/dbraw/zinc/66/34/30/342663430.db2.gz JZSOKPILKZHSMP-QMMMGPOBSA-N -1 3 289.307 1.523 10 30 CDEEHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593550080 342811028 /nfs/dbraw/zinc/81/10/28/342811028.db2.gz OWIXASQRHWPDIU-VIFPVBQESA-N -1 3 288.394 1.305 10 30 CDEEHM C=CCCOCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593567431 342813122 /nfs/dbraw/zinc/81/31/22/342813122.db2.gz PEBRGVDIMKWKFP-UHFFFAOYSA-N -1 3 286.378 1.491 10 30 CDEEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593572405 342813773 /nfs/dbraw/zinc/81/37/73/342813773.db2.gz NKYMTJGLESJSEA-DTWKUNHWSA-N -1 3 286.378 1.466 10 30 CDEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593590289 342814975 /nfs/dbraw/zinc/81/49/75/342814975.db2.gz GOIHRFZQZBMEAM-SECBINFHSA-N -1 3 285.325 1.623 10 30 CDEEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C#N)c(F)c1F ZINC000600667064 342240732 /nfs/dbraw/zinc/24/07/32/342240732.db2.gz QZKCRXPYYYRQNK-ZETCQYMHSA-N -1 3 260.265 1.464 10 30 CDEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000594850978 342963484 /nfs/dbraw/zinc/96/34/84/342963484.db2.gz USGKBVCTPLZXKB-UHFFFAOYSA-N -1 3 298.339 1.568 10 30 CDEEHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1)C(F)F ZINC000619503024 349752902 /nfs/dbraw/zinc/75/29/02/349752902.db2.gz WWPVIOZFJNNXJA-UHFFFAOYSA-N -1 3 274.292 1.880 10 30 CDEEHM COc1cc(C[N-]S(=O)(=O)CC(C)(C)CC#N)on1 ZINC000595344811 343044045 /nfs/dbraw/zinc/04/40/45/343044045.db2.gz JIHMEVIKQNHLHA-UHFFFAOYSA-N -1 3 287.341 1.042 10 30 CDEEHM COc1cc(=NC(=O)CC2(C#N)CCCCC2)[n-]n1C ZINC000597526650 343566836 /nfs/dbraw/zinc/56/68/36/343566836.db2.gz JNKVDFMJIKWRNQ-UHFFFAOYSA-N -1 3 276.340 1.653 10 30 CDEEHM N#Cc1ccc(C[N-]S(=O)(=O)Cc2ccon2)c(F)c1 ZINC000610262930 346235546 /nfs/dbraw/zinc/23/55/46/346235546.db2.gz GSLLYIHRGHCDIU-UHFFFAOYSA-N -1 3 295.295 1.305 10 30 CDEEHM CC[C@@H](C#N)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000611148395 346620808 /nfs/dbraw/zinc/62/08/08/346620808.db2.gz HMICYTCMLYHZPV-VIFPVBQESA-N -1 3 255.277 1.560 10 30 CDEEHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C#N)cc1N ZINC000085918168 179199339 /nfs/dbraw/zinc/19/93/39/179199339.db2.gz WJJJQDADYQHFNP-UHFFFAOYSA-N -1 3 288.332 1.645 10 30 CDEEHM CC(C)C[C@@H](N[P@@](C)(=O)c1ccccc1)C(=O)N[O-] ZINC000013782650 356690841 /nfs/dbraw/zinc/69/08/41/356690841.db2.gz VERLVIKCRNRVAE-BLVKFPJESA-N -1 3 284.296 1.730 10 30 CDEEHM [O-]c1ccccc1/C=N\N1CCN(c2ccccn2)CC1 ZINC000048524219 357189591 /nfs/dbraw/zinc/18/95/91/357189591.db2.gz YGMCRQACFHLUCL-AQTBWJFISA-N -1 3 282.347 1.943 10 30 CDEEHM CCC[C@H](C#N)[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000563134802 359078190 /nfs/dbraw/zinc/07/81/90/359078190.db2.gz FEZYKTCUPGLEFX-MNOVXSKESA-N -1 3 260.359 1.023 10 30 CDEEHM C=CC[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000628484256 359185655 /nfs/dbraw/zinc/18/56/55/359185655.db2.gz IEOOQGMPLCJCKN-SNVBAGLBSA-N -1 3 256.309 1.996 10 30 CDEEHM COC(=O)Cc1ccc([O-])c(OC(F)(F)F)c1C#N ZINC000575392383 364634003 /nfs/dbraw/zinc/63/40/03/364634003.db2.gz XIPBMQUCUXHQJB-UHFFFAOYSA-N -1 3 275.182 1.878 10 30 CDEEHM COC(=O)Cc1c(C#N)cc([O-])cc1OC(F)(F)F ZINC000575391693 364629771 /nfs/dbraw/zinc/62/97/71/364629771.db2.gz FVWUKJOXVWHTGY-UHFFFAOYSA-N -1 3 275.182 1.878 10 30 CDEEHM C=CC[C@@H]([N-]S(=O)(=O)C[C@@H](C)C1CC1)C(=O)OCC ZINC001661344943 1172374984 /nfs/dbraw/zinc/37/49/84/1172374984.db2.gz FOIUVFABEMHMMP-ZYHUDNBSSA-N -1 3 289.397 1.460 10 30 CDEEHM CC(=O)c1ccc(C#N)cc1N1CCc2nc[n-]c(=O)c2C1 ZINC000347413875 371036332 /nfs/dbraw/zinc/03/63/32/371036332.db2.gz KZPTXOGWAXVZGF-UHFFFAOYSA-N -1 3 294.314 1.819 10 30 CDEEHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000277852745 374820065 /nfs/dbraw/zinc/82/00/65/374820065.db2.gz MRYLSEWLVWEBDB-JOYOIKCWSA-N -1 3 298.339 1.401 10 30 CDEEHM C#CCO[N-]C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000291253745 378437842 /nfs/dbraw/zinc/43/78/42/378437842.db2.gz 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263066237 /nfs/dbraw/zinc/06/62/37/263066237.db2.gz RBPJNEZAKKHMPO-CYANDVJASA-N -1 3 297.307 1.191 10 30 CDEEHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000288123551 263103568 /nfs/dbraw/zinc/10/35/68/263103568.db2.gz JTCFUURBEDYTTR-CYBMUJFWSA-N -1 3 272.312 1.689 10 30 CDEEHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000288123551 263103569 /nfs/dbraw/zinc/10/35/69/263103569.db2.gz JTCFUURBEDYTTR-CYBMUJFWSA-N -1 3 272.312 1.689 10 30 CDEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CC2)n1 ZINC000165174404 264067587 /nfs/dbraw/zinc/06/75/87/264067587.db2.gz JVSTXNCSRWUBOI-VIFPVBQESA-N -1 3 285.394 1.736 10 30 CDEEHM C=CCn1c(=O)[n-]nc1SCC(=O)NC1CCCCC1 ZINC000330963312 264089754 /nfs/dbraw/zinc/08/97/54/264089754.db2.gz CNOPVUMVKLJKFT-UHFFFAOYSA-N -1 3 296.396 1.711 10 30 CDEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1COC1 ZINC000528562978 268160479 /nfs/dbraw/zinc/16/04/79/268160479.db2.gz FCQZUQMLFWGNKD-UHFFFAOYSA-N -1 3 286.740 1.136 10 30 CDEEHM CCn1cnc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000358799842 327313682 /nfs/dbraw/zinc/31/36/82/327313682.db2.gz CUVVGAVBBPBCBY-YPMHNXCESA-N -1 3 296.396 1.654 10 30 CDEEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(CC#N)c1)C1CC1 ZINC000564971620 334531356 /nfs/dbraw/zinc/53/13/56/334531356.db2.gz BJLCYAIZXCKFTE-AWEZNQCLSA-N -1 3 294.376 1.919 10 30 CDEEHM C=CCOCCNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000679492045 483372879 /nfs/dbraw/zinc/37/28/79/483372879.db2.gz DJTMDHYAGUOQHT-UHFFFAOYSA-N -1 3 279.340 1.050 10 30 CDEEHM C#CCO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000310160679 1186668645 /nfs/dbraw/zinc/66/86/45/1186668645.db2.gz RDARKROLWHOUOL-UHFFFAOYSA-N -1 3 254.629 1.543 10 30 CDEEHM Cc1cc(C)c(C#N)c(N2CCCN(CC(=O)[O-])CC2)n1 ZINC000061145995 524213080 /nfs/dbraw/zinc/21/30/80/524213080.db2.gz KSPMQDGHOUALPY-UHFFFAOYSA-N -1 3 288.351 1.167 10 30 CDEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[N-]c1nncn1C ZINC000157154083 528637789 /nfs/dbraw/zinc/63/77/89/528637789.db2.gz ZZDHOCLDNXMMTN-CYBMUJFWSA-N -1 3 299.334 1.729 10 30 CDEEHM CCN1CCC[C@H](NC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000330270426 529081922 /nfs/dbraw/zinc/08/19/22/529081922.db2.gz UECSGMBLKVKVRJ-NSHDSACASA-N -1 3 294.424 1.928 10 30 CDEEHM Cc1ccc([O-])c(C=NNC(=S)NC2CC2)n1 ZINC000728780024 574645278 /nfs/dbraw/zinc/64/52/78/574645278.db2.gz STTWXKSCSQOMNQ-UHFFFAOYSA-N -1 3 250.327 1.056 10 30 CDEEHM CC(=NN=c1cc[n-]n1C)c1ccc(F)cc1N(C)C ZINC000774413382 575203405 /nfs/dbraw/zinc/20/34/05/575203405.db2.gz OPAXISHSCVHHNP-UHFFFAOYSA-N -1 3 275.331 1.883 10 30 CDEEHM C=CCN(CC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)C1CC1 ZINC000772381399 575691278 /nfs/dbraw/zinc/69/12/78/575691278.db2.gz KNISBTBACGXTBX-LBPRGKRZSA-N -1 3 288.395 1.865 10 30 CDEEHM CCC(=N[N-]S(C)(=O)=O)c1cccc(OC)c1 ZINC000764698620 575935096 /nfs/dbraw/zinc/93/50/96/575935096.db2.gz BFOQUNZABITMEY-UHFFFAOYSA-N -1 3 256.327 1.359 10 30 CDEEHM O=[N+]([O-])c1cccnc1N=NCc1ccc([O-])cn1 ZINC000755767713 576959805 /nfs/dbraw/zinc/95/98/05/576959805.db2.gz DWSIOZOFHYMROT-UHFFFAOYSA-N -1 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C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001572644923 1170625498 /nfs/dbraw/zinc/62/54/98/1170625498.db2.gz YRKPWAUJIOUCEC-NXEZZACHSA-N -1 3 293.371 1.030 10 30 CDEEHM CN1C[C@H]2CCN(C(=O)c3cc([O-])cc(C#N)c3)[C@@H]2C1 ZINC000590441388 342545886 /nfs/dbraw/zinc/54/58/86/342545886.db2.gz CFVBHCVFCPHKFW-BXUZGUMPSA-N -1 3 271.320 1.040 10 30 CDEEHM N#Cc1[n-]c(=NC[C@@H]2CCC[C@H]2O)sc1Cl ZINC000590578876 342577375 /nfs/dbraw/zinc/57/73/75/342577375.db2.gz VQBROIYORBBRDO-POYBYMJQSA-N -1 3 257.746 1.663 10 30 CDEEHM N#CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000334429057 342613467 /nfs/dbraw/zinc/61/34/67/342613467.db2.gz IQGAROZXFYJJDL-UHFFFAOYSA-N -1 3 269.098 1.337 10 30 CDEEHM CC(C)([N-]S(=O)(=O)c1cncc(C#N)c1)C(C)(F)F ZINC000406954863 342135587 /nfs/dbraw/zinc/13/55/87/342135587.db2.gz WWSXIJXIYRYGRP-UHFFFAOYSA-N -1 3 289.307 1.665 10 30 CDEEHM COc1cc(=NC(=O)NCC2(C#N)CCCC2)[n-]n1C ZINC000593183336 342776028 /nfs/dbraw/zinc/77/60/28/342776028.db2.gz UNHNMAGDFOADEJ-UHFFFAOYSA-N -1 3 277.328 1.056 10 30 CDEEHM CCOCCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593524911 342812000 /nfs/dbraw/zinc/81/20/00/342812000.db2.gz WCKLNGWBTMFYIO-UHFFFAOYSA-N -1 3 274.367 1.325 10 30 CDEEHM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593595656 342815318 /nfs/dbraw/zinc/81/53/18/342815318.db2.gz RBQPBOYRUNJNHJ-SECBINFHSA-N -1 3 288.394 1.163 10 30 CDEEHM N#Cc1[n-]c(=NCC[C@]2(O)CCOC2)sc1Cl ZINC000596289564 343289021 /nfs/dbraw/zinc/28/90/21/343289021.db2.gz AIXZGBFWWIAWMS-JTQLQIEISA-N -1 3 273.745 1.043 10 30 CDEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)s1 ZINC000599484066 344071386 /nfs/dbraw/zinc/07/13/86/344071386.db2.gz XCVWVWTXALYBBS-GXSJLCMTSA-N -1 3 298.389 1.466 10 30 CDEEHM C=C(C)C[C@@H](NC(=O)c1cccc2nn[n-]c21)C(=O)OC ZINC000601788924 344253457 /nfs/dbraw/zinc/25/34/57/344253457.db2.gz YYEXONTZRMQWHT-LLVKDONJSA-N -1 3 288.307 1.196 10 30 CDEEHM C=C(C)C[C@@H](NC(=O)c1cccc2[n-]nnc21)C(=O)OC ZINC000601788924 344253459 /nfs/dbraw/zinc/25/34/59/344253459.db2.gz 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10 30 CDEEHM O=C(c1ns[nH]c1=O)N([O-])CCCCc1ccccc1 ZINC001649052155 1161351111 /nfs/dbraw/zinc/35/11/11/1161351111.db2.gz SDHJOVZKTPWHEB-UHFFFAOYSA-N -1 3 293.348 1.686 10 30 CDEEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C)no1 ZINC000173398125 534389997 /nfs/dbraw/zinc/38/99/97/534389997.db2.gz SVJMATKRPAHNFL-UHFFFAOYSA-N -1 3 292.320 1.037 10 30 CDEEHM C=CCN[C@@H](C(=O)[O-])c1cc(OC)c(OC)cc1OC ZINC000051960689 518959175 /nfs/dbraw/zinc/95/91/75/518959175.db2.gz RJZPFKCUPQGPFX-CYBMUJFWSA-N -1 3 281.308 1.614 10 30 CDEEHM N/C(=N/[O-])c1ccccc1NC(=O)c1cscn1 ZINC000062361487 526803363 /nfs/dbraw/zinc/80/33/63/526803363.db2.gz GVVDKSULNWSRGF-UHFFFAOYSA-N -1 3 262.294 1.490 10 30 CDEEHM NCC#Cc1ccccc1CSc1nccc(=O)[n-]1 ZINC000049611475 527154760 /nfs/dbraw/zinc/15/47/60/527154760.db2.gz PWMISVVSPKXUMJ-UHFFFAOYSA-N -1 3 271.345 1.785 10 30 CDEEHM Cc1ccc([O-])c(C=NNS(=O)(=O)c2ccccc2)n1 ZINC000728777867 574645295 /nfs/dbraw/zinc/64/52/95/574645295.db2.gz MMMIQDNZWRFTRD-UHFFFAOYSA-N -1 3 291.332 1.408 10 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UOPSFAQLOAGGTR-YPMHNXCESA-N -1 3 293.367 1.803 10 30 CDEEHM C=CCCC[C@@H](N)C(=O)NCc1ccccc1C(=O)[O-] ZINC000900465440 623096261 /nfs/dbraw/zinc/09/62/61/623096261.db2.gz KXSZRDROZMGPAP-CYBMUJFWSA-N -1 3 276.336 1.685 10 30 CDEEHM CCCCCCN([O-])C(=O)[C@H]1CCc2nncn2C1 ZINC000904207265 626212309 /nfs/dbraw/zinc/21/23/09/626212309.db2.gz XJJXDWHZXURDHG-NSHDSACASA-N -1 3 266.345 1.639 10 30 CDEEHM CCCCN([O-])C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000904208187 626212957 /nfs/dbraw/zinc/21/29/57/626212957.db2.gz PKCFWRJIZZEESG-UHFFFAOYSA-N -1 3 289.335 1.494 10 30 CDEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000904205860 626220885 /nfs/dbraw/zinc/22/08/85/626220885.db2.gz VXZJRXVJENUKPZ-LLVKDONJSA-N -1 3 268.357 1.795 10 30 CDEEHM C=C(Cl)C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000910266814 628939043 /nfs/dbraw/zinc/93/90/43/628939043.db2.gz PALGYZMEQHHNPU-AXFHLTTASA-N -1 3 288.775 1.571 10 30 CDEEHM C=C[C@@H](OC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC001617556270 1165600446 /nfs/dbraw/zinc/60/04/46/1165600446.db2.gz FFKVVYZKCJHYIL-SECBINFHSA-N -1 3 287.275 1.554 10 30 CDEEHM N#C[C@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001624090495 1165818589 /nfs/dbraw/zinc/81/85/89/1165818589.db2.gz GBMJAFQNCIVZFS-LLVKDONJSA-N -1 3 256.261 1.160 10 30 CDEEHM O=C(C#CC1CC1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001643954863 1167283599 /nfs/dbraw/zinc/28/35/99/1167283599.db2.gz JTYMQNVQEZMMFW-UHFFFAOYSA-N -1 3 269.304 1.315 10 30 CDEEHM C=C[C@H](C)O[N-]C(=O)c1cn(C)c(=O)c2ccccc12 ZINC001583409139 1172758008 /nfs/dbraw/zinc/75/80/08/1172758008.db2.gz WHGMGGQIGNVDEH-JTQLQIEISA-N -1 3 272.304 1.774 10 30 CDEEHM CN1CCC(C#N)(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000229693482 1178133302 /nfs/dbraw/zinc/13/33/02/1178133302.db2.gz BMSGRMUWFRUFKR-UHFFFAOYSA-N -1 3 277.299 1.249 10 30 CDEEHM C=CCCOCCNCc1cccc(C(=O)[O-])n1 ZINC000231822675 1178179422 /nfs/dbraw/zinc/17/94/22/1178179422.db2.gz ONPBDANSJIADSW-UHFFFAOYSA-N -1 3 250.298 1.462 10 30 CDEEHM C=C(C)CCC(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001758126711 1186285366 /nfs/dbraw/zinc/28/53/66/1186285366.db2.gz QVHQEQCTDMOXIL-UHFFFAOYSA-N -1 3 290.363 1.985 10 30 CDEEHM C=C[C@@H](COC)NCc1ncc(Br)cc1[O-] ZINC001355281033 969109611 /nfs/dbraw/zinc/10/96/11/969109611.db2.gz VCLKDXDMRROEDZ-VIFPVBQESA-N -1 3 287.157 1.840 10 30 CDEEHM CC(C)(Oc1ccc(F)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816694763 828344808 /nfs/dbraw/zinc/34/48/08/828344808.db2.gz NCXWHVJEMPNTDR-NSHDSACASA-N -1 3 296.298 1.089 10 30 CDEEHM Cn1[n-]ccc1=NN=C1CCO[C@H](C(F)(F)F)C1 ZINC000814907502 824132280 /nfs/dbraw/zinc/13/22/80/824132280.db2.gz MDVNVMVHGPZKAL-QMMMGPOBSA-N -1 3 262.235 1.351 10 30 CDEEHM Cc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCN([O-])C1=O ZINC000816692311 824156984 /nfs/dbraw/zinc/15/69/84/824156984.db2.gz LLFNVFILRXJETO-DGCLKSJQSA-N -1 3 276.336 1.595 10 30 CDEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cccnc1Cl ZINC000716352852 824177076 /nfs/dbraw/zinc/17/70/76/824177076.db2.gz DIJALWSHEJNXOP-VIFPVBQESA-N -1 3 288.756 1.052 10 30 CDEEHM C#CCO[N-]C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000825136463 824235354 /nfs/dbraw/zinc/23/53/54/824235354.db2.gz BNGYIBZPEACWMS-RKDXNWHRSA-N -1 3 265.231 1.558 10 30 CDEEHM CCCOc1cccc(C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000816696741 825047482 /nfs/dbraw/zinc/04/74/82/825047482.db2.gz GOCSPIPFRUOYFZ-GFCCVEGCSA-N -1 3 278.308 1.195 10 30 CDEEHM CC1(O)CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000863082512 825304450 /nfs/dbraw/zinc/30/44/50/825304450.db2.gz MLBSSBCWLHBSGZ-UHFFFAOYSA-N -1 3 296.392 1.787 10 30 CDEEHM CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816695478 826052303 /nfs/dbraw/zinc/05/23/03/826052303.db2.gz CYTCLXFPCIBKDA-GHMZBOCLSA-N -1 3 296.298 1.089 10 30 CDEEHM COC[C@@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000801645996 826276077 /nfs/dbraw/zinc/27/60/77/826276077.db2.gz KANHZMOJUXEWAC-QWGQVVDNSA-N -1 3 288.141 1.581 10 30 CDEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C)nn1)C(C)(C)C ZINC000711233787 827004277 /nfs/dbraw/zinc/00/42/77/827004277.db2.gz SXOJZFIQRICTKX-JTQLQIEISA-N -1 3 267.354 1.111 10 30 CDEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2cnco2)cc1 ZINC000816691088 827039268 /nfs/dbraw/zinc/03/92/68/827039268.db2.gz KTIVLVMEVIGDOJ-LLVKDONJSA-N -1 3 287.275 1.062 10 30 CDEEHM COc1ccc(CNCc2ncccc2[O-])cc1C#N ZINC000793259081 827045214 /nfs/dbraw/zinc/04/52/14/827045214.db2.gz SBSIGIVPXAKBJE-UHFFFAOYSA-N -1 3 269.304 1.957 10 30 CDEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000816694229 827052427 /nfs/dbraw/zinc/05/24/27/827052427.db2.gz BAIYHEFAYOIQPQ-UMSGYPCISA-N -1 3 280.368 1.699 10 30 CDEEHM CCCOc1cccc(C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC000816696742 827077302 /nfs/dbraw/zinc/07/73/02/827077302.db2.gz GOCSPIPFRUOYFZ-LBPRGKRZSA-N -1 3 278.308 1.195 10 30 CDEEHM CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816692110 827413103 /nfs/dbraw/zinc/41/31/03/827413103.db2.gz GRCNNRWMBQZQJS-NWDGAFQWSA-N -1 3 292.335 1.259 10 30 CDEEHM C=CCCn1cc(CO[N-]C(=O)CC(C)(C)C)nn1 ZINC000848512911 827806214 /nfs/dbraw/zinc/80/62/14/827806214.db2.gz JJPRXEUWHXZVFQ-UHFFFAOYSA-N -1 3 266.345 1.838 10 30 CDEEHM C#CC[C@H](COC)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000863802980 827808744 /nfs/dbraw/zinc/80/87/44/827808744.db2.gz PGQRKCBMGVIKQK-GFCCVEGCSA-N -1 3 290.319 1.119 10 30 CDEEHM C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816690999 827824016 /nfs/dbraw/zinc/82/40/16/827824016.db2.gz ILPVDPNEMIHUQL-ZYHUDNBSSA-N -1 3 294.376 1.415 10 30 CDEEHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)CCC#N)nn1 ZINC000867269712 828095377 /nfs/dbraw/zinc/09/53/77/828095377.db2.gz HSHLZWFULVDXRM-UHFFFAOYSA-N -1 3 282.369 1.393 10 30 CDEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C1COC1 ZINC000913674123 828306452 /nfs/dbraw/zinc/30/64/52/828306452.db2.gz DYWVONLXYQQPPG-UHFFFAOYSA-N -1 3 252.220 1.165 10 30 CDEEHM C=CCCn1cc(C(=O)Nc2cccc([O-])c2F)nn1 ZINC001137580446 936367480 /nfs/dbraw/zinc/36/74/80/936367480.db2.gz INCWNVRUDDMUBG-UHFFFAOYSA-N -1 3 276.271 1.951 10 30 CDEEHM Cc1[n-][nH]c(=O)c1CCNc1c(C#N)cccc1C#N ZINC001185404662 919597789 /nfs/dbraw/zinc/59/77/89/919597789.db2.gz SJLQYCJSGULQRG-GFCCVEGCSA-N -1 3 267.292 1.354 10 30 CDEEHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-]CC#N ZINC001143316098 937152806 /nfs/dbraw/zinc/15/28/06/937152806.db2.gz UVRVFQJSCLRHSU-UHFFFAOYSA-N -1 3 267.235 1.377 10 30 CDEEHM C=C[C@H](C)O[N-]C(=O)/C=C/c1cc(C(=O)OC)co1 ZINC001144589079 931912856 /nfs/dbraw/zinc/91/28/56/931912856.db2.gz IEPQZLCSPKFSFW-CYNONHLPSA-N -1 3 265.265 1.702 10 30 CDEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)C#N)c1 ZINC001146978370 932368735 /nfs/dbraw/zinc/36/87/35/932368735.db2.gz KUKXWYQWEJUZKZ-VIFPVBQESA-N -1 3 273.292 1.406 10 30 CDEEHM C=C(C)CCC(=O)NCCC[C@H](C)NC(=O)c1cn[n-]n1 ZINC001280840730 942495563 /nfs/dbraw/zinc/49/55/63/942495563.db2.gz OARXAGHMRDPDBM-NSHDSACASA-N -1 3 293.371 1.176 10 30 CDEEHM C#CCOc1ccccc1CN[C@@H](COC(C)C)C(=O)[O-] ZINC001262163331 946482860 /nfs/dbraw/zinc/48/28/60/946482860.db2.gz PNFMFFIZSOPLSK-AWEZNQCLSA-N -1 3 291.347 1.666 10 30 CDEEHM CC[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 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C=CCC1(O)CN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC001522134726 970403928 /nfs/dbraw/zinc/40/39/28/970403928.db2.gz ZMVGTTPRGMSQQZ-UHFFFAOYSA-N -1 3 261.321 1.718 10 30 CDEEHM N#CCNC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001571530105 1170465619 /nfs/dbraw/zinc/46/56/19/1170465619.db2.gz KIEWQHFVKAVMLP-NWDGAFQWSA-N -1 3 273.336 1.404 10 30 CDEEHM CN1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589169897 342498829 /nfs/dbraw/zinc/49/88/29/342498829.db2.gz REHRAQXLKJQZBN-GFCCVEGCSA-N -1 3 259.309 1.088 10 30 CDEEHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593605660 342818250 /nfs/dbraw/zinc/81/82/50/342818250.db2.gz IXJPTCJACJWDST-BDAKNGLRSA-N -1 3 286.378 1.466 10 30 CDEEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593609710 342818554 /nfs/dbraw/zinc/81/85/54/342818554.db2.gz YDWMCTGSUJNGNK-DTORHVGOSA-N -1 3 286.378 1.466 10 30 CDEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594801599 342958696 /nfs/dbraw/zinc/95/86/96/342958696.db2.gz PPVZKBXREIKMIQ-LBPRGKRZSA-N -1 3 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CDEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1C(F)F ZINC001450265290 967666925 /nfs/dbraw/zinc/66/69/25/967666925.db2.gz ASGOFSHGPIZYJK-JTQLQIEISA-N -1 3 284.262 1.734 10 30 CDEEHM C[C@H](NC(=O)CSCC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001472109805 970577377 /nfs/dbraw/zinc/57/73/77/970577377.db2.gz WUFNMXVVHAKHHQ-YFKPBYRVSA-N -1 3 293.274 1.257 10 30 CDEEHM CCOC(=O)c1cc(NC(=O)Cc2ccc(C#N)nc2)[n-]n1 ZINC001417702217 973302913 /nfs/dbraw/zinc/30/29/13/973302913.db2.gz OWOCKYCQPVUTOB-UHFFFAOYSA-N -1 3 299.290 1.034 10 30 CDEEHM CCOC(=O)c1cc(NC(=O)Cc2ccc(C#N)nc2)n[n-]1 ZINC001417702217 973302925 /nfs/dbraw/zinc/30/29/25/973302925.db2.gz OWOCKYCQPVUTOB-UHFFFAOYSA-N -1 3 299.290 1.034 10 30 CDEEHM N#Cc1ccc2ncc(CN(CC(=O)[O-])CC3CC3)n2c1 ZINC000593331173 342786116 /nfs/dbraw/zinc/78/61/16/342786116.db2.gz DINPPYXQHMIVLU-UHFFFAOYSA-N -1 3 284.319 1.503 10 30 CDEEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593531657 342812440 /nfs/dbraw/zinc/81/24/40/342812440.db2.gz SDTBEGREOUNVHU-YUMQZZPRSA-N -1 3 256.352 1.554 10 30 CDEEHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593561562 342812604 /nfs/dbraw/zinc/81/26/04/342812604.db2.gz WZTNAHYIYMZFEA-SECBINFHSA-N -1 3 288.394 1.307 10 30 CDEEHM C=CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593579429 342814194 /nfs/dbraw/zinc/81/41/94/342814194.db2.gz ZCKOHJJUJWCRSE-UHFFFAOYSA-N -1 3 285.325 1.624 10 30 CDEEHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593588173 342814982 /nfs/dbraw/zinc/81/49/82/342814982.db2.gz YZYQEAMROCGKTI-BDAKNGLRSA-N -1 3 286.378 1.323 10 30 CDEEHM C=CC1CCN([C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC000643874425 362180037 /nfs/dbraw/zinc/18/00/37/362180037.db2.gz WRQWUKPTZXNVSS-CYBMUJFWSA-N -1 3 280.368 1.350 10 30 CDEEHM COc1ccc(C(=O)N2CC[C@@](C)(C#N)C2)c([O-])c1 ZINC000598409017 343792411 /nfs/dbraw/zinc/79/24/11/343792411.db2.gz DNAASIQQEVDFFV-AWEZNQCLSA-N -1 3 260.293 1.777 10 30 CDEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599482220 344070791 /nfs/dbraw/zinc/07/07/91/344070791.db2.gz 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CCOc1ccncc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416671538 391327698 /nfs/dbraw/zinc/32/76/98/391327698.db2.gz OUZRIAOQODRWFQ-UHFFFAOYSA-N -1 3 295.364 1.452 10 30 CDEEHM COc1ccc(NC(=O)c2ccc(C#N)nc2)c([O-])c1 ZINC000442698842 392461508 /nfs/dbraw/zinc/46/15/08/392461508.db2.gz ICPJXWOYDKDSSW-UHFFFAOYSA-N -1 3 269.260 1.920 10 30 CDEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(C#N)c2)n[n-]1 ZINC000119347122 147312444 /nfs/dbraw/zinc/31/24/44/147312444.db2.gz DWEKUEJHBFBKDL-UHFFFAOYSA-N -1 3 292.302 1.934 10 30 CDEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(C#N)c2)[n-]n1 ZINC000119347122 147312446 /nfs/dbraw/zinc/31/24/46/147312446.db2.gz DWEKUEJHBFBKDL-UHFFFAOYSA-N -1 3 292.302 1.934 10 30 CDEEHM CCCCNC(=O)COc1ccccc1/C(N)=N/[O-] ZINC000037338535 173139106 /nfs/dbraw/zinc/13/91/06/173139106.db2.gz WTSZNZGXFKJHMR-UHFFFAOYSA-N -1 3 265.313 1.076 10 30 CDEEHM CC(C)[C@H](C#N)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000044813392 175258199 /nfs/dbraw/zinc/25/81/99/175258199.db2.gz CTMRVVCBHAZOBJ-NSHDSACASA-N -1 3 271.276 1.304 10 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/nfs/dbraw/zinc/92/32/74/969923274.db2.gz DULWGHQPUWASEH-KJHLLKJSSA-N -1 3 275.312 1.472 10 30 CDEEHM COc1n[n-]c(NC(=O)[C@@]2(C#N)CC3CCC2CC3)n1 ZINC001466101095 969923279 /nfs/dbraw/zinc/92/32/79/969923279.db2.gz DULWGHQPUWASEH-KJHLLKJSSA-N -1 3 275.312 1.472 10 30 CDEEHM O=C(N[C@H]1CCN([O-])C1=O)c1c[nH]c2cccc(F)c12 ZINC001468373273 970157718 /nfs/dbraw/zinc/15/77/18/970157718.db2.gz MVPMTHFCSPOQPJ-JTQLQIEISA-N -1 3 277.255 1.027 10 30 CDEEHM C=C(C)CCN1CC(O)(CNC(=O)c2ccccc2[O-])C1 ZINC001569767201 1169990211 /nfs/dbraw/zinc/99/02/11/1169990211.db2.gz KHXXJVXNENYPLM-UHFFFAOYSA-N -1 3 290.363 1.135 10 30 CDEEHM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCN(C2CC2)C1 ZINC000589189581 342499209 /nfs/dbraw/zinc/49/92/09/342499209.db2.gz GSTOZVLEAZTLNX-CQSZACIVSA-N -1 3 285.347 1.573 10 30 CDEEHM Cc1ccc(S(=O)(=O)[N-]CCCC#N)c(F)c1F ZINC000599275006 343994920 /nfs/dbraw/zinc/99/49/20/343994920.db2.gz JPTQWMIDCYJQFQ-UHFFFAOYSA-N -1 3 274.292 1.855 10 30 CDEEHM C=CCCS(=O)(=O)[N-][C@@H](C/C=C\C)C(=O)OCC 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C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc([O-])cc1F ZINC000613331304 347687796 /nfs/dbraw/zinc/68/77/96/347687796.db2.gz KSDORTHOFMGISW-CYBMUJFWSA-N -1 3 280.299 1.941 10 30 CDEEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cncc(C#N)c2)o1 ZINC000336841064 356296658 /nfs/dbraw/zinc/29/66/58/356296658.db2.gz REUJKNYCEWLENR-SNVBAGLBSA-N -1 3 291.332 1.894 10 30 CDEEHM O=C(CCCCCNC(=O)c1ccccc1)N[O-] ZINC000013801954 356691374 /nfs/dbraw/zinc/69/13/74/356691374.db2.gz WOSZGUVOSPLDAN-UHFFFAOYSA-N -1 3 250.298 1.482 10 30 in-vivo CDEEHM C=CCC(C)(C)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299096324 356970518 /nfs/dbraw/zinc/97/05/18/356970518.db2.gz VRBVGNIOLRUWHG-JTQLQIEISA-N -1 3 278.356 1.406 10 30 CDEEHM C=CC(C)(C)CCNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000628314125 358802242 /nfs/dbraw/zinc/80/22/42/358802242.db2.gz NNOZCWTWLIVKAZ-UHFFFAOYSA-N -1 3 290.363 1.841 10 30 CDEEHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ncccc1[O-] ZINC000437988617 361702172 /nfs/dbraw/zinc/70/21/72/361702172.db2.gz 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/nfs/dbraw/zinc/44/20/65/392442065.db2.gz ARHYXHQURJWYPA-CQSZACIVSA-N -1 3 285.347 1.430 10 30 CDEEHM Cc1cc(C#N)ccc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000131459144 393043006 /nfs/dbraw/zinc/04/30/06/393043006.db2.gz SLRLJHDCBCWMMA-UHFFFAOYSA-N -1 3 284.275 1.629 10 30 CDEEHM Cc1cnn(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000230350050 140211670 /nfs/dbraw/zinc/21/16/70/140211670.db2.gz JOLIXTXFBZSUAO-UHFFFAOYSA-N -1 3 296.377 1.103 10 30 CDEEHM C=CCn1c(=O)[n-]nc1SCCO[C@H]1CC1(F)F ZINC000657251313 414078696 /nfs/dbraw/zinc/07/86/96/414078696.db2.gz BCHNBAUVKSEWCS-ZETCQYMHSA-N -1 3 277.296 1.686 10 30 CDEEHM N#CC1([N-]S(=O)(=O)c2cncc(F)c2)CCCC1 ZINC000044261055 175156923 /nfs/dbraw/zinc/15/69/23/175156923.db2.gz ZRAMBDDSGYWGDJ-UHFFFAOYSA-N -1 3 269.301 1.335 10 30 CDEEHM CCOC(=O)[C@@H]1CC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000281744972 263071622 /nfs/dbraw/zinc/07/16/22/263071622.db2.gz JOVKLKWOBUFXKL-BJUPBTILSA-N -1 3 293.319 1.954 10 30 CDEEHM Cn1cnc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000282695782 263078141 /nfs/dbraw/zinc/07/81/41/263078141.db2.gz XQINIBGERYYANX-UHFFFAOYSA-N -1 3 282.369 1.028 10 30 CDEEHM CC[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nccs1 ZINC000165426266 264352952 /nfs/dbraw/zinc/35/29/52/264352952.db2.gz WQYCZMWPYUNDKX-VIFPVBQESA-N -1 3 285.394 1.817 10 30 CDEEHM CC1(C)C[C@H](O)C2=C(O1)C(=O)c1c([O-])cccc1C2=O ZINC000033832920 281361139 /nfs/dbraw/zinc/36/11/39/281361139.db2.gz KGIQEUTUJPXAKQ-VIFPVBQESA-N -1 3 274.272 1.585 10 30 biogenic CDEEHM Cc1nnc([N-]C(=O)c2snnc2C(C)(C)C)n1C ZINC000331038472 328475072 /nfs/dbraw/zinc/47/50/72/328475072.db2.gz BIAMOJKJPLWEEK-UHFFFAOYSA-N -1 3 280.357 1.909 10 30 CDEEHM COC1(C[N-]S(=O)(=O)CC2(C#N)CCC2)CCC1 ZINC000582879932 329284420 /nfs/dbraw/zinc/28/44/20/329284420.db2.gz HODGEBDRIPGNIV-UHFFFAOYSA-N -1 3 272.370 1.169 10 30 CDEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576121710 335157621 /nfs/dbraw/zinc/15/76/21/335157621.db2.gz KEZQCTOEXWPMBP-JQWIXIFHSA-N -1 3 289.335 1.381 10 30 CDEEHM C=C(C)[C@H](CO)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000677478399 482681083 /nfs/dbraw/zinc/68/10/83/482681083.db2.gz CHUVTDRJAOSLJC-HNNXBMFYSA-N -1 3 290.363 1.087 10 30 CDEEHM C=CC[C@H](CO)NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000192688913 527208073 /nfs/dbraw/zinc/20/80/73/527208073.db2.gz FKIYPADKPUDCAY-LLVKDONJSA-N -1 3 286.331 1.916 10 30 CDEEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000328206466 535000344 /nfs/dbraw/zinc/00/03/44/535000344.db2.gz IGRSVEKZQLYKEE-SECBINFHSA-N -1 3 286.378 1.466 10 30 CDEEHM Cc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c([O-])c1C ZINC000732678618 575093319 /nfs/dbraw/zinc/09/33/19/575093319.db2.gz HWZPQNFKLDTUPH-AWEZNQCLSA-N -1 3 299.374 1.821 10 30 CDEEHM Cn1[n-]ccc1=NN=C[C@@H]1CCOc2ccccc21 ZINC000774414252 575203704 /nfs/dbraw/zinc/20/37/04/575203704.db2.gz UFMGWSISARXLJH-NSHDSACASA-N -1 3 256.309 1.806 10 30 CDEEHM Cc1cc(Cl)cc(C=NN2CCN(C)CC2)c1[O-] ZINC000774575157 575216401 /nfs/dbraw/zinc/21/64/01/575216401.db2.gz LWKJZUNYCMFRRM-UHFFFAOYSA-N -1 3 267.760 1.935 10 30 CDEEHM COc1cccc2c1CCC(=NN=c1cc[n-]n1C)C2 ZINC000754972857 576923846 /nfs/dbraw/zinc/92/38/46/576923846.db2.gz GUMFBSIMZBHDIA-UHFFFAOYSA-N -1 3 270.336 1.807 10 30 CDEEHM N#Cc1cccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000898207488 621363632 /nfs/dbraw/zinc/36/36/32/621363632.db2.gz LOTCXQOSCNDJRM-LBPRGKRZSA-N -1 3 282.303 1.617 10 30 CDEEHM CC[C@@](C)(C#N)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222586 621409969 /nfs/dbraw/zinc/40/99/69/621409969.db2.gz UGPISJRFIPXHHL-RNCFNFMXSA-N -1 3 262.313 1.371 10 30 CDEEHM C=CCCC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000900462708 623091068 /nfs/dbraw/zinc/09/10/68/623091068.db2.gz KPFKHYCUEWSALU-SDDRHHMPSA-N -1 3 268.357 1.382 10 30 CDEEHM CCCCCCN([O-])C(=O)c1cn(CC2(C)COC2)nn1 ZINC000904204596 626220318 /nfs/dbraw/zinc/22/03/18/626220318.db2.gz PNZDIUHJODJCES-UHFFFAOYSA-N -1 3 296.371 1.726 10 30 CDEEHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001631873772 1166308501 /nfs/dbraw/zinc/30/85/01/1166308501.db2.gz FBOLYDKSIBIYRJ-GRKOMRHMSA-N -1 3 250.254 1.014 10 30 CDEEHM C=CCO[N-]C(=O)/C(=C/c1ccccc1)n1nnnc1C ZINC001635640257 1166606798 /nfs/dbraw/zinc/60/67/98/1166606798.db2.gz BNDHQAQWHXAJLV-RAXLEYEMSA-N -1 3 285.307 1.213 10 30 CDEEHM C=C[C@](C)(O)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001637746936 1166783748 /nfs/dbraw/zinc/78/37/48/1166783748.db2.gz SWTOOAAKIWBPEG-ZDUSSCGKSA-N -1 3 291.286 1.271 10 30 CDEEHM C=C[C@](C)(O)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001637746936 1166783757 /nfs/dbraw/zinc/78/37/57/1166783757.db2.gz SWTOOAAKIWBPEG-ZDUSSCGKSA-N -1 3 291.286 1.271 10 30 CDEEHM N#Cc1cccc(C#N)c1NCCCc1c[n-][nH]c1=O ZINC001651288520 1171312571 /nfs/dbraw/zinc/31/25/71/1171312571.db2.gz NCUMJJXHDRXZFI-GFCCVEGCSA-N -1 3 267.292 1.354 10 30 CDEEHM N#CCN1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001690888176 1175600454 /nfs/dbraw/zinc/60/04/54/1175600454.db2.gz KQAJKVMSADLXBV-ZDUSSCGKSA-N -1 3 287.363 1.890 10 30 CDEEHM CC(C)C#CC(=O)NC[C@H](C)NC(=O)c1ccccc1[O-] 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C=C[C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872460726 749921469 /nfs/dbraw/zinc/92/14/69/749921469.db2.gz JWEZUXGTTDVUQZ-GLEZIHRCSA-N -1 3 268.404 1.292 10 30 CDEEHM C=CCn1c(=O)[n-]nc1SC[C@H]1CN(C2CC2)C(=O)O1 ZINC000845309369 750538661 /nfs/dbraw/zinc/53/86/61/750538661.db2.gz MYIGBMBLVCUQDP-SECBINFHSA-N -1 3 296.352 1.245 10 30 CDEEHM CC1(C#N)CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436573020 750624126 /nfs/dbraw/zinc/62/41/26/750624126.db2.gz AVGAAKHFOOWKLY-UHFFFAOYSA-N -1 3 288.303 1.887 10 30 CDEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccccc1Br ZINC000816692876 750845949 /nfs/dbraw/zinc/84/59/49/750845949.db2.gz XSZYXPHGDUSZAB-SECBINFHSA-N -1 3 299.124 1.169 10 30 CDEEHM COCc1csc(C=NN=c2cc[n-]n2C)c1 ZINC000853334961 751020548 /nfs/dbraw/zinc/02/05/48/751020548.db2.gz WWNGFOVRGFATRY-UHFFFAOYSA-N -1 3 250.327 1.496 10 30 CDEEHM COc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)ccc1Cl ZINC000816690207 751075324 /nfs/dbraw/zinc/07/53/24/751075324.db2.gz KYRPIKYRUVMIHO-SECBINFHSA-N -1 3 284.699 1.069 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C=C[C@H](CC)CC(=O)NC[C@@H](CC)NC(=O)c1cn[n-]n1 ZINC001746191129 1160613192 /nfs/dbraw/zinc/61/31/92/1160613192.db2.gz SCWOVWCLMVSFJA-GHMZBOCLSA-N -1 3 293.371 1.032 10 30 CDEEHM N#CCCNC(=O)COc1cccc2c1CC/C2=N\[O-] ZINC000062800308 526462630 /nfs/dbraw/zinc/46/26/30/526462630.db2.gz RADBWIYCZNZJQE-SFQUDFHCSA-N -1 3 273.292 1.220 10 30 CDEEHM C=C(C)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000334879338 526624513 /nfs/dbraw/zinc/62/45/13/526624513.db2.gz BFMHWTGZHYXDNA-SNVBAGLBSA-N -1 3 269.370 1.635 10 30 CDEEHM N#Cc1ccsc1[N-]C(=O)c1csc(N)n1 ZINC000055188713 526770753 /nfs/dbraw/zinc/77/07/53/526770753.db2.gz VUGVSCWWHMHBGT-UHFFFAOYSA-N -1 3 250.308 1.911 10 30 CDEEHM N/C(=N/[O-])c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000052860792 526801932 /nfs/dbraw/zinc/80/19/32/526801932.db2.gz SOKUGCDAHYJACF-VIFPVBQESA-N -1 3 270.716 1.992 10 30 CDEEHM O=C([N-]c1cnoc1)c1cc(C#CCCO)ccc1F ZINC000061685816 527494059 /nfs/dbraw/zinc/49/40/59/527494059.db2.gz TWFVWIFGCYFDDJ-UHFFFAOYSA-N -1 3 274.251 1.800 10 30 CDEEHM Cc1cc(Br)cc(C=NN2CC(=O)[N-]C2=O)c1 ZINC000773032582 575775516 /nfs/dbraw/zinc/77/55/16/575775516.db2.gz NIZAUKRXRLEMRN-UHFFFAOYSA-N -1 3 296.124 1.643 10 30 CDEEHM COC(=O)CCCC[C@H](C)C(C)=NN=c1cc[n-]n1C ZINC000774413727 575945308 /nfs/dbraw/zinc/94/53/08/575945308.db2.gz XVCJYAXIMZWUJZ-NSHDSACASA-N -1 3 280.372 1.999 10 30 CDEEHM CCCCCCCCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751566609 577050787 /nfs/dbraw/zinc/05/07/87/577050787.db2.gz FRKSKHCHHJQGOC-JTQLQIEISA-N -1 3 270.329 1.488 10 30 CDEEHM C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c([O-])cccc1F ZINC000928711757 620506584 /nfs/dbraw/zinc/50/65/84/620506584.db2.gz PNVNZRBJLYCNIC-ZDUSSCGKSA-N -1 3 294.326 1.618 10 30 CDEEHM N#CC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCCCC1 ZINC000898212096 621366397 /nfs/dbraw/zinc/36/63/97/621366397.db2.gz ZRVUDIFGNOYARQ-NSHDSACASA-N -1 3 288.351 1.905 10 30 CDEEHM CS(=O)(=O)CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904200865 626219135 /nfs/dbraw/zinc/21/91/35/626219135.db2.gz HHMPIHWFGKQJTH-UHFFFAOYSA-N -1 3 299.392 1.662 10 30 CDEEHM Cc1cc(C)c(CC(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000908407881 628185474 /nfs/dbraw/zinc/18/54/74/628185474.db2.gz XQZHHWQOKSWYEC-JTQLQIEISA-N -1 3 282.365 1.404 10 30 CDEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)CCCC)n1 ZINC001691414995 1159062030 /nfs/dbraw/zinc/06/20/30/1159062030.db2.gz OHYQIKIJNGQESQ-UHFFFAOYSA-N -1 3 290.367 1.102 10 30 CDEEHM N#C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(Cl)cc1 ZINC001627004068 1165973190 /nfs/dbraw/zinc/97/31/90/1165973190.db2.gz PTVPTORTBCXDHN-NSHDSACASA-N -1 3 288.694 1.830 10 30 CDEEHM N#Cc1ccc([O-])c(NC(=O)Cc2n[nH]c(C3CC3)n2)c1 ZINC001633077180 1166401170 /nfs/dbraw/zinc/40/11/70/1166401170.db2.gz NQNBZEZBNLSYOT-UHFFFAOYSA-N -1 3 283.291 1.441 10 30 CDEEHM C=C(C)C[C@H](CO)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001633179908 1166407383 /nfs/dbraw/zinc/40/73/83/1166407383.db2.gz RJUGHVCFNYGAGY-SECBINFHSA-N -1 3 278.287 1.154 10 30 CDEEHM N#Cc1cccc([N+](=O)[O-])c1N1CCc2nc[n-]c(=O)c2C1 ZINC001642588335 1167182440 /nfs/dbraw/zinc/18/24/40/1167182440.db2.gz HAPUHUYIRMOKPX-UHFFFAOYSA-N -1 3 297.274 1.525 10 30 CDEEHM Cc1nc(C)c(CCC(=O)N2CC[C@@](C)(C#N)C2)c(=O)[n-]1 ZINC001647308652 1168545611 /nfs/dbraw/zinc/54/56/11/1168545611.db2.gz AMUSZAXPQDAXKM-HNNXBMFYSA-N -1 3 288.351 1.494 10 30 CDEEHM CCCCCCN([O-])C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001651229234 1171305356 /nfs/dbraw/zinc/30/53/56/1171305356.db2.gz IJTQVXXTVLNUNJ-MNOVXSKESA-N -1 3 273.329 1.505 10 30 CDEEHM N#CCN[C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001714833463 1179416140 /nfs/dbraw/zinc/41/61/40/1179416140.db2.gz DGFLKHZBCDMNSU-HNNXBMFYSA-N -1 3 295.342 1.976 10 30 CDEEHM CC(C)(C)SCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756064 790301068 /nfs/dbraw/zinc/30/10/68/790301068.db2.gz OZYFHVXAFMEGNJ-MRVPVSSYSA-N -1 3 260.359 1.015 10 30 CDEEHM COc1c([O-])ccc(C=NNC23CC(C2)C3)c1[N+](=O)[O-] ZINC000842543124 790577697 /nfs/dbraw/zinc/57/76/97/790577697.db2.gz CTLNTZPMHMMJDW-UHFFFAOYSA-N -1 3 277.280 1.785 10 30 CDEEHM C=CC[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000860904007 790852526 /nfs/dbraw/zinc/85/25/26/790852526.db2.gz KSUVZPMCTNQTBH-QMMMGPOBSA-N -1 3 287.337 1.618 10 30 CDEEHM C[C@H](NCc1nccn1C)c1cccc(C#N)c1[O-] ZINC000866257120 790876497 /nfs/dbraw/zinc/87/64/97/790876497.db2.gz FNSDHLPKLSPZMV-JTQLQIEISA-N -1 3 256.309 1.848 10 30 CDEEHM C=CCCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OC ZINC000928319980 790967067 /nfs/dbraw/zinc/96/70/67/790967067.db2.gz LQNIOXVBPYGRFM-GFCCVEGCSA-N -1 3 293.319 1.726 10 30 CDEEHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820131052 789858966 /nfs/dbraw/zinc/85/89/66/789858966.db2.gz FTQDVAAMKXQTBZ-XQQFMLRXSA-N -1 3 274.320 1.205 10 30 CDEEHM CCn1nncc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866395071 789859826 /nfs/dbraw/zinc/85/98/26/789859826.db2.gz IZRNEEGGUGVZJY-SNVBAGLBSA-N -1 3 271.324 1.726 10 30 CDEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CO[C@@H](C2CC2)C1 ZINC000853293983 790096001 /nfs/dbraw/zinc/09/60/01/790096001.db2.gz YQFCNRYCPJDZSV-CQSZACIVSA-N -1 3 294.376 1.661 10 30 CDEEHM O=C(C#Cc1cccs1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631842442 1166306893 /nfs/dbraw/zinc/30/68/93/1166306893.db2.gz IKOHCEFEXDEDFX-UHFFFAOYSA-N -1 3 291.357 1.200 10 30 CDEEHM C#C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000848274331 791791482 /nfs/dbraw/zinc/79/14/82/791791482.db2.gz YVGAAVCALRQVOU-NSHDSACASA-N -1 3 261.296 1.946 10 30 CDEEHM C#C[C@@H]1COCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000854916416 792816167 /nfs/dbraw/zinc/81/61/67/792816167.db2.gz BCDFSHAITIAVOB-SNVBAGLBSA-N -1 3 277.345 1.588 10 30 CDEEHM Cc1nc(Cl)ccc1CC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757090 792844196 /nfs/dbraw/zinc/84/41/96/792844196.db2.gz LPCWRBASFQIVBP-SNVBAGLBSA-N -1 3 297.742 1.082 10 30 CDEEHM Cc1cc(C)c(OCC(=O)N[C@H]2CCN([O-])C2=O)c(C)c1 ZINC000816691760 792907752 /nfs/dbraw/zinc/90/77/52/792907752.db2.gz YVDPJDSVAAIGJF-LBPRGKRZSA-N -1 3 292.335 1.097 10 30 CDEEHM CC(C)[C@H](C(=O)[N-]Oc1cccc(C#N)c1)N(C)C ZINC000870691839 793072998 /nfs/dbraw/zinc/07/29/98/793072998.db2.gz RWVFINQHDANHAO-CYBMUJFWSA-N -1 3 261.325 1.554 10 30 CDEEHM O=c1nc(C=N[O-])ccn1C[C@@H]1CCC(F)(F)C1 ZINC000842030356 793320313 /nfs/dbraw/zinc/32/03/13/793320313.db2.gz DPVCAIOIZLYFJA-MRVPVSSYSA-N -1 3 257.240 1.487 10 30 CDEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000872669899 793404185 /nfs/dbraw/zinc/40/41/85/793404185.db2.gz WMLBXMDLEQPZQI-HAQNSBGRSA-N -1 3 282.365 1.762 10 30 CDEEHM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000854648880 793673529 /nfs/dbraw/zinc/67/35/29/793673529.db2.gz LUMDPCARNFGBKN-ZETCQYMHSA-N -1 3 282.262 1.461 10 30 CDEEHM O=C(N[C@H]1CCN([O-])C1=O)c1sccc1OC(F)F ZINC000816695627 793987437 /nfs/dbraw/zinc/98/74/37/793987437.db2.gz HCYPYIASVFTJHK-YFKPBYRVSA-N -1 3 292.263 1.069 10 30 CDEEHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000864347743 794007426 /nfs/dbraw/zinc/00/74/26/794007426.db2.gz XENCEWQSPZMGAK-YYAPDPGESA-N -1 3 264.325 1.573 10 30 CDEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccccc2)no1 ZINC000816691783 794629344 /nfs/dbraw/zinc/62/93/44/794629344.db2.gz ZHXQUFHPLXMXOK-JTQLQIEISA-N -1 3 287.275 1.062 10 30 CDEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1coc(C2CCCC2)n1 ZINC000816757742 794824271 /nfs/dbraw/zinc/82/42/71/794824271.db2.gz ZZIARVPTHVEFBM-SNVBAGLBSA-N -1 3 293.323 1.442 10 30 CDEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1scnc1C1CC1 ZINC000816753419 796257709 /nfs/dbraw/zinc/25/77/09/796257709.db2.gz HRGJZKTZVCUESY-QMMMGPOBSA-N -1 3 281.337 1.131 10 30 CDEEHM C=CCCc1ccccc1NC(=O)[N-]OCC(N)=O ZINC000800576799 796341836 /nfs/dbraw/zinc/34/18/36/796341836.db2.gz XVRKIXYDHLCPGN-UHFFFAOYSA-N -1 3 263.297 1.344 10 30 CDEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000716886460 910705396 /nfs/dbraw/zinc/70/53/96/910705396.db2.gz FSJAEQDRWGZUFY-SNVBAGLBSA-N -1 3 289.303 1.281 10 30 CDEEHM COC(=O)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)c[nH]1 ZINC001184347780 919101677 /nfs/dbraw/zinc/10/16/77/919101677.db2.gz DDDMGOBVKVEQSS-UHFFFAOYSA-N -1 3 292.266 1.972 10 30 CDEEHM C[C@@H](NC(=O)CC1(C#N)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001413701615 936685719 /nfs/dbraw/zinc/68/57/19/936685719.db2.gz GKDZGEGJXZXJCT-ZCFIWIBFSA-N -1 3 287.245 1.695 10 30 CDEEHM C=CCCC(=O)NC[C@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC001488506540 926608440 /nfs/dbraw/zinc/60/84/40/926608440.db2.gz GXLGKZUOALPTAH-NSHDSACASA-N -1 3 293.371 1.032 10 30 CDEEHM O=C(CC1(C(F)(F)F)CC1)N[C@@H]1CCCN([O-])C1=O ZINC001118378932 937621497 /nfs/dbraw/zinc/62/14/97/937621497.db2.gz NGTSDNONGCYTHB-SSDOTTSWSA-N -1 3 280.246 1.215 10 30 CDEEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(C)cc(C#N)cc1C ZINC001412830628 934614377 /nfs/dbraw/zinc/61/43/77/934614377.db2.gz OTWRDGSJCXYPLC-CYBMUJFWSA-N -1 3 298.346 1.417 10 30 CDEEHM C=CCC(F)(F)C(=O)[N-]Cc1ocnc1C(=O)OC ZINC001120769893 937833917 /nfs/dbraw/zinc/83/39/17/937833917.db2.gz QYGNEAZLOVZFGH-UHFFFAOYSA-N -1 3 274.223 1.289 10 30 CDEEHM C=CCC[C@@H](NCc1cc2n(n1)CCCC2)C(=O)[O-] ZINC001261544663 946168726 /nfs/dbraw/zinc/16/87/26/946168726.db2.gz ZDRRCSYBHWZUER-CYBMUJFWSA-N -1 3 263.341 1.728 10 30 CDEEHM C[C@@]1(CNC(=O)c2ccccc2[O-])CCCN(CC#N)C1 ZINC001278647763 951158336 /nfs/dbraw/zinc/15/83/36/951158336.db2.gz NSSOQJDRUIHIIN-INIZCTEOSA-N -1 3 287.363 1.748 10 30 CDEEHM CC[C@H](C#N)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001363667083 953626119 /nfs/dbraw/zinc/62/61/19/953626119.db2.gz GBPAMGHOCXZFGL-IJLUTSLNSA-N -1 3 288.351 1.874 10 30 CDEEHM N#Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC001363961114 954079396 /nfs/dbraw/zinc/07/93/96/954079396.db2.gz BGVQAJLUWNAKQB-UHFFFAOYSA-N -1 3 284.275 1.454 10 30 CDEEHM C=C(CO)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001298515062 955194683 /nfs/dbraw/zinc/19/46/83/955194683.db2.gz ZZVAYVIGBBQPHR-UHFFFAOYSA-N -1 3 286.125 1.950 10 30 CDEEHM CC[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 ZINC001365277965 955815078 /nfs/dbraw/zinc/81/50/78/955815078.db2.gz RSYXAMNUFPCJFP-JTQLQIEISA-N -1 3 271.324 1.538 10 30 CDEEHM CC[C@H](C#N)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001556105094 964996829 /nfs/dbraw/zinc/99/68/29/964996829.db2.gz GAWUZMJECPVDHW-SSDOTTSWSA-N -1 3 291.257 1.838 10 30 CDEEHM C=C(CC(C)C)C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC001348861100 966209595 /nfs/dbraw/zinc/20/95/95/966209595.db2.gz PKZJBOJOQRHQPB-UHFFFAOYSA-N -1 3 266.301 1.061 10 30 CDEEHM C=C(CC(C)C)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC001348861100 966209600 /nfs/dbraw/zinc/20/96/00/966209600.db2.gz PKZJBOJOQRHQPB-UHFFFAOYSA-N -1 3 266.301 1.061 10 30 CDEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2cccs2)o1 ZINC001468373522 970157109 /nfs/dbraw/zinc/15/71/09/970157109.db2.gz PEAXVJKXGDTNPS-MRVPVSSYSA-N -1 3 292.316 1.728 10 30 CDEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cnc2ccc(F)cc2c1 ZINC001468374311 970157800 /nfs/dbraw/zinc/15/78/00/970157800.db2.gz VMBAQABJILHJEH-LBPRGKRZSA-N -1 3 289.266 1.094 10 30 CDEEHM COC(=O)c1oc(C(=O)[N-]c2ccncc2C#N)cc1C ZINC001361710793 970448045 /nfs/dbraw/zinc/44/80/45/970448045.db2.gz CHQBOERRHZKGHP-UHFFFAOYSA-N -1 3 285.259 1.894 10 30 CDEEHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001651735199 1171355484 /nfs/dbraw/zinc/35/54/84/1171355484.db2.gz LMKJPRHKJYCSFL-UHFFFAOYSA-N -1 3 261.325 1.888 10 30 CDEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000312914950 342148641 /nfs/dbraw/zinc/14/86/41/342148641.db2.gz BNCLZXXVSXJCIQ-HTAVTVPLSA-N -1 3 291.376 1.810 10 30 CDEEHM C=CCCS(=O)(=O)[N-][C@@H](C/C=C/C)C(=O)OCC ZINC000440093475 361849482 /nfs/dbraw/zinc/84/94/82/361849482.db2.gz SRTIKZOYBMTFOA-ZPMKCOPCSA-N -1 3 275.370 1.380 10 30 CDEEHM C=CCN(Cc1nc(C)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000092361101 342234024 /nfs/dbraw/zinc/23/40/24/342234024.db2.gz DHSPIJDMVLXGEL-GFCCVEGCSA-N -1 3 296.392 1.271 10 30 CDEEHM COC[C@@](C)(NCc1ccc(C2(C#N)CC2)cc1)C(=O)[O-] ZINC000594691858 342942224 /nfs/dbraw/zinc/94/22/24/342942224.db2.gz YKSOAUHBWZSZOM-OAHLLOKOSA-N -1 3 288.347 1.821 10 30 CDEEHM Cc1cc(F)cc2c1[n-]cc(C(=O)N1CC(CC#N)C1)c2=O ZINC000598033996 343694628 /nfs/dbraw/zinc/69/46/28/343694628.db2.gz HMNKHXGZWDNLRO-UHFFFAOYSA-N -1 3 299.305 1.961 10 30 CDEEHM CN(C(=O)Cc1cncc([O-])c1)[C@H]1CCC[C@@H]1C#N ZINC000601813146 344257113 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/nfs/dbraw/zinc/15/76/35/951157635.db2.gz NSSOQJDRUIHIIN-MRXNPFEDSA-N -1 3 287.363 1.748 10 30 CDEEHM C=C[C@@H](COC)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001296765782 954903180 /nfs/dbraw/zinc/90/31/80/954903180.db2.gz SWNNONHRUHIBAF-QMMMGPOBSA-N -1 3 264.260 1.028 10 30 CDEEHM C=C[C@H](COC)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001328750178 955455688 /nfs/dbraw/zinc/45/56/88/955455688.db2.gz YHKAYHFNFKZSJY-SECBINFHSA-N -1 3 291.319 1.753 10 30 CDEEHM N#C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCSC1 ZINC001546236496 972127097 /nfs/dbraw/zinc/12/70/97/972127097.db2.gz MTSHDJUKRCRCKM-LBPRGKRZSA-N -1 3 264.306 1.227 10 30 CDEEHM CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccccc1[O-] ZINC001432810693 960170154 /nfs/dbraw/zinc/17/01/54/960170154.db2.gz YDGASDKKOGUUBG-WDEREUQCSA-N -1 3 289.335 1.176 10 30 CDEEHM CCN(CC#N)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001543647304 967311557 /nfs/dbraw/zinc/31/15/57/967311557.db2.gz DXBWBZZCHOXINN-UHFFFAOYSA-N -1 3 291.257 1.792 10 30 CDEEHM C#CCN1CCC(NC(=O)c2cccc([O-])c2F)CC1 ZINC001455948863 968835897 /nfs/dbraw/zinc/83/58/97/968835897.db2.gz WSWKPSISNCGCFJ-UHFFFAOYSA-N -1 3 276.311 1.359 10 30 CDEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC1 ZINC001355976768 969308706 /nfs/dbraw/zinc/30/87/06/969308706.db2.gz ODGKUNIPUJJXQJ-UHFFFAOYSA-N -1 3 293.762 1.893 10 30 CDEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC1 ZINC001355976768 969308713 /nfs/dbraw/zinc/30/87/13/969308713.db2.gz ODGKUNIPUJJXQJ-UHFFFAOYSA-N -1 3 293.762 1.893 10 30 CDEEHM N#Cc1cc(C(=O)[N-]c2nc3ccccn3n2)co1 ZINC001536820842 969634713 /nfs/dbraw/zinc/63/47/13/969634713.db2.gz YLWYRHHDTGBVGO-UHFFFAOYSA-N -1 3 253.221 1.446 10 30 CDEEHM C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001358439762 969736843 /nfs/dbraw/zinc/73/68/43/969736843.db2.gz FVWMZIAZDIMTKI-NSHDSACASA-N -1 3 290.363 1.839 10 30 CDEEHM C#C[C@@H](CO)NC(=O)c1cc2sccc2c([O-])c1 ZINC001569718211 1169974560 /nfs/dbraw/zinc/97/45/60/1169974560.db2.gz UVCOQXOGXJJJPQ-VIFPVBQESA-N -1 3 261.302 1.331 10 30 CDEEHM CC1(CNC(=O)c2ccccc2[O-])CCN(CC#N)CC1 ZINC001500412649 974433402 /nfs/dbraw/zinc/43/34/02/974433402.db2.gz CLPSDXZSWINJEJ-UHFFFAOYSA-N -1 3 287.363 1.748 10 30 CDEEHM C=C(Cl)CN(C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001401785289 975913579 /nfs/dbraw/zinc/91/35/79/975913579.db2.gz NZVNXLFZBNLDEQ-VIFPVBQESA-N -1 3 298.774 1.293 10 30 CDEEHM CC(=O)c1cc(F)cc(CN2CC(O)(CC#N)C2)c1[O-] ZINC001654251388 1171601846 /nfs/dbraw/zinc/60/18/46/1171601846.db2.gz KTZKLDMZTKZPJQ-UHFFFAOYSA-N -1 3 278.283 1.194 10 30 CDEEHM CC(C)([N-]S(=O)(=O)CC1(CC#N)CC1)C(F)F ZINC000590756524 342588117 /nfs/dbraw/zinc/58/81/17/342588117.db2.gz GLBSTRFGJPSKRD-UHFFFAOYSA-N -1 3 266.313 1.643 10 30 CDEEHM CC1(C(=O)C[N-]S(=O)(=O)CCCC#N)CCCC1 ZINC000625546219 342183810 /nfs/dbraw/zinc/18/38/10/342183810.db2.gz CZIVPJHCQQSENK-UHFFFAOYSA-N -1 3 272.370 1.359 10 30 CDEEHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593575819 342813989 /nfs/dbraw/zinc/81/39/89/342813989.db2.gz MBLYTUNTGDDCSZ-YUMQZZPRSA-N -1 3 274.367 1.057 10 30 CDEEHM C=CCCCN(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000077108160 342325056 /nfs/dbraw/zinc/32/50/56/342325056.db2.gz SIBNJMGAAOJINM-UHFFFAOYSA-N -1 3 276.336 1.547 10 30 CDEEHM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H](N)CCCCC#N ZINC000596031572 343217038 /nfs/dbraw/zinc/21/70/38/343217038.db2.gz BMGAGXWPDYIZNI-LLVKDONJSA-N -1 3 283.372 1.357 10 30 CDEEHM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H](N)CCCCC#N ZINC000596031574 343217082 /nfs/dbraw/zinc/21/70/82/343217082.db2.gz BMGAGXWPDYIZNI-NSHDSACASA-N -1 3 283.372 1.357 10 30 CDEEHM N#CC1(Cc2nc(-c3cc(=O)[n-]cn3)no2)CCOCC1 ZINC000596601328 343351901 /nfs/dbraw/zinc/35/19/01/343351901.db2.gz OUSFAEQBNWTLGW-UHFFFAOYSA-N -1 3 287.279 1.095 10 30 CDEEHM C=C(C)C[C@H](C)C(=O)[N-]OC(C)(C)C(=O)OCC ZINC000295455954 199517431 /nfs/dbraw/zinc/51/74/31/199517431.db2.gz BKMOAKDWGADIJL-JTQLQIEISA-N -1 3 257.330 1.978 10 30 CDEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CC1(C)CCC1)C(=O)OC ZINC000603396063 344797826 /nfs/dbraw/zinc/79/78/26/344797826.db2.gz JGVBLXZSCRJDIC-LLVKDONJSA-N -1 3 289.397 1.604 10 30 CDEEHM Cc1ncc(C[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)o1 ZINC000398077201 362529188 /nfs/dbraw/zinc/52/91/88/362529188.db2.gz MCNAGKXRZAZWCR-UHFFFAOYSA-N -1 3 292.320 1.037 10 30 CDEEHM N#Cc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cn1 ZINC000350476946 346355088 /nfs/dbraw/zinc/35/50/88/346355088.db2.gz FUAPFTSXYWHZFL-UHFFFAOYSA-N -1 3 289.258 1.942 10 30 CDEEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C)O1 ZINC000601499702 349970141 /nfs/dbraw/zinc/97/01/41/349970141.db2.gz REFUTLJCTSAHIJ-KBVBSXBZSA-N -1 3 298.339 1.542 10 30 CDEEHM N#Cc1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1Cl ZINC000085818817 179182164 /nfs/dbraw/zinc/18/21/64/179182164.db2.gz JYJOOGGPHYQEHZ-SNVBAGLBSA-N -1 3 281.699 1.342 10 30 CDEEHM CC[C@@H]1CN(C2CC(C#CC(=O)[O-])C2)C[C@H](CC)O1 ZINC000725265236 538455776 /nfs/dbraw/zinc/45/57/76/538455776.db2.gz SNBBHLSELGALJH-LLZFXZEUSA-N -1 3 265.353 1.742 10 30 CDEEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C#N)cn2)n1 ZINC000427599982 247163942 /nfs/dbraw/zinc/16/39/42/247163942.db2.gz CUXRIKPXQADATB-UHFFFAOYSA-N -1 3 286.251 1.330 10 30 CDEEHM C=CCCC(C)(C)CNC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000633963919 378902050 /nfs/dbraw/zinc/90/20/50/378902050.db2.gz XEADYHBTSSBXSY-SNVBAGLBSA-N -1 3 281.356 1.083 10 30 CDEEHM CN(C)[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188439322 390958226 /nfs/dbraw/zinc/95/82/26/390958226.db2.gz AMDYVUGFNQVCPI-GFCCVEGCSA-N -1 3 259.309 1.040 10 30 CDEEHM CC(C)N1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H](C)C1 ZINC000188646856 390974460 /nfs/dbraw/zinc/97/44/60/390974460.db2.gz JXIFEISDEWOXHY-FZMZJTMJSA-N -1 3 287.363 1.722 10 30 CDEEHM N#CC1(CS(=O)(=O)[N-]Cc2cscn2)CCCC1 ZINC000352880345 391275649 /nfs/dbraw/zinc/27/56/49/391275649.db2.gz HSSJFSTYWVNNTR-UHFFFAOYSA-N -1 3 285.394 1.646 10 30 CDEEHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)CC#N)o1 ZINC000416534658 391316758 /nfs/dbraw/zinc/31/67/58/391316758.db2.gz XWDIWUBHXKDMQU-UHFFFAOYSA-N -1 3 256.327 1.806 10 30 CDEEHM C=CCC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000657079649 413898466 /nfs/dbraw/zinc/89/84/66/413898466.db2.gz TVYSOJAOFSWWQH-UHFFFAOYSA-N -1 3 286.353 1.144 10 30 CDEEHM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044261075 175157321 /nfs/dbraw/zinc/15/73/21/175157321.db2.gz WEKFBAVXJVHETN-JTQLQIEISA-N -1 3 257.290 1.191 10 30 CDEEHM O=C(NCc1ccc(C#CCO)s1)c1ccc([O-])cc1 ZINC000071322523 176122920 /nfs/dbraw/zinc/12/29/20/176122920.db2.gz XEVOLHDNKSMQOM-UHFFFAOYSA-N -1 3 287.340 1.728 10 30 CDEEHM COc1nnc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[n-]1 ZINC000350699031 227057843 /nfs/dbraw/zinc/05/78/43/227057843.db2.gz DREUUSNIXVUDFN-LLVKDONJSA-N -1 3 296.290 1.006 10 30 CDEEHM COc1nc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n[n-]1 ZINC000350699031 227057847 /nfs/dbraw/zinc/05/78/47/227057847.db2.gz DREUUSNIXVUDFN-LLVKDONJSA-N -1 3 296.290 1.006 10 30 CDEEHM COc1n[n-]c(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000350699031 227057853 /nfs/dbraw/zinc/05/78/53/227057853.db2.gz DREUUSNIXVUDFN-LLVKDONJSA-N -1 3 296.290 1.006 10 30 CDEEHM Cc1cnc(C(=O)N[C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000330890337 264065151 /nfs/dbraw/zinc/06/51/51/264065151.db2.gz WCHOHRWPYYDSFX-GFCCVEGCSA-N -1 3 292.383 1.036 10 30 CDEEHM C=CCCC[C@@H](C)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000652472551 424467127 /nfs/dbraw/zinc/46/71/27/424467127.db2.gz VIPZLLYEZQRVNF-CYBMUJFWSA-N -1 3 296.411 1.986 10 30 CDEEHM Cc1ccc(N2CCc3nc[n-]c(=O)c3C2)nc1C#N ZINC000357691705 278824043 /nfs/dbraw/zinc/82/40/43/278824043.db2.gz OJXUCSJCNIESER-UHFFFAOYSA-N -1 3 267.292 1.320 10 30 CDEEHM C/C=C/C[C@@H]([N-]S(=O)(=O)CCCC#N)C(=O)OCC ZINC000361407215 328923968 /nfs/dbraw/zinc/92/39/68/328923968.db2.gz DHMKZJOZTGOEHU-JOAKQRRISA-N -1 3 288.369 1.107 10 30 CDEEHM C=CCCS(=O)(=O)[N-][C@H](C/C=C\C)C(=O)OCC ZINC000440093472 330746204 /nfs/dbraw/zinc/74/62/04/330746204.db2.gz SRTIKZOYBMTFOA-MEQVVJDKSA-N -1 3 275.370 1.380 10 30 CDEEHM C=C(C)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442742910 330781177 /nfs/dbraw/zinc/78/11/77/330781177.db2.gz JIUJFQWRWLPOGI-UHFFFAOYSA-N -1 3 280.271 1.955 10 30 CDEEHM CCn1c(=O)[n-]nc1SCc1sccc1C#CCO ZINC000061606859 523093927 /nfs/dbraw/zinc/09/39/27/523093927.db2.gz KFDFRZJRPFBNTC-UHFFFAOYSA-N -1 3 295.389 1.289 10 30 CDEEHM C[C@@H](C(=O)[O-])N1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000062785049 524298536 /nfs/dbraw/zinc/29/85/36/524298536.db2.gz XLQGQSKXSVGAIE-JTQLQIEISA-N -1 3 293.754 1.807 10 30 CDEEHM O=C(NCc1ccc(C#CCO)cc1)c1cccc([O-])c1 ZINC000049587909 526653011 /nfs/dbraw/zinc/65/30/11/526653011.db2.gz UBCBWCFKKQQYRX-UHFFFAOYSA-N -1 3 281.311 1.666 10 30 CDEEHM COC[C@@H](C)C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000755891184 575617064 /nfs/dbraw/zinc/61/70/64/575617064.db2.gz YACCHPNUBUARRK-NSHDSACASA-N -1 3 270.354 1.374 10 30 CDEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CC1CC1 ZINC000744039992 576662288 /nfs/dbraw/zinc/66/22/88/576662288.db2.gz VUGAWIHRRYUZQY-ZADCQDASSA-N -1 3 255.277 1.695 10 30 CDEEHM CCOC(=O)[C@H](CC1CC1)/N=C/c1ccc(O)c([O-])c1O ZINC000751890518 577071981 /nfs/dbraw/zinc/07/19/81/577071981.db2.gz NKFPMZHOYYEWIS-AXLKIAQESA-N -1 3 293.319 1.954 10 30 CDEEHM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820148886 618514403 /nfs/dbraw/zinc/51/44/03/618514403.db2.gz JYMRQTZIJFJLSM-LAUAKBEESA-N -1 3 294.738 1.850 10 30 CDEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000832170227 618638626 /nfs/dbraw/zinc/63/86/26/618638626.db2.gz JBGFKXGJUFKVHZ-UHFFFAOYSA-N -1 3 291.804 1.872 10 30 CDEEHM C=CCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000900465199 623094964 /nfs/dbraw/zinc/09/49/64/623094964.db2.gz IQDNPPKAVHGRRG-XQHKEYJVSA-N -1 3 296.411 1.922 10 30 CDEEHM C=CCCC1(CNCc2cn(CC(=O)[O-])nn2)CCCC1 ZINC000902423664 624792992 /nfs/dbraw/zinc/79/29/92/624792992.db2.gz RECLKTQWEPOMHY-UHFFFAOYSA-N -1 3 292.383 1.979 10 30 CDEEHM CC(=O)N[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904202231 626219399 /nfs/dbraw/zinc/21/93/99/626219399.db2.gz YNMSXCRNAXQRKX-GFCCVEGCSA-N -1 3 278.352 1.752 10 30 CDEEHM CCCCCCN([O-])C(=O)CN1CCCCC1=O 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CDEEHM C#CCN(CC#C)Cc1nnc(-c2ccccc2[O-])o1 ZINC001473178995 970764003 /nfs/dbraw/zinc/76/40/03/970764003.db2.gz BOPDIZFVYRTWBT-UHFFFAOYSA-N -1 3 267.288 1.511 10 30 CDEEHM C=C[C@H](OC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC001617556271 1165599544 /nfs/dbraw/zinc/59/95/44/1165599544.db2.gz FFKVVYZKCJHYIL-VIFPVBQESA-N -1 3 287.275 1.554 10 30 CDEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Cl)c2occc21 ZINC001636352808 1166671786 /nfs/dbraw/zinc/67/17/86/1166671786.db2.gz MWJAPNMOGVGZND-SNVBAGLBSA-N -1 3 294.694 1.806 10 30 CDEEHM C#CCC1(NC(=O)c2cc(F)cc3n[n-]nc32)CCC1 ZINC001645146647 1167372157 /nfs/dbraw/zinc/37/21/57/1167372157.db2.gz FAKDLSKUZVDGPV-UHFFFAOYSA-N -1 3 272.283 1.773 10 30 CDEEHM C=CC[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001653369179 1171538170 /nfs/dbraw/zinc/53/81/70/1171538170.db2.gz UBKFOYAOMMSTAU-UHFFFAOYSA-N -1 3 263.265 1.438 10 30 CDEEHM CC1(NCC#N)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001717294929 1180607661 /nfs/dbraw/zinc/60/76/61/1180607661.db2.gz FLHSWBZNGFRSHK-UHFFFAOYSA-N -1 3 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